*HEADER    APOPTOSIS                               20-APR-12   2LS7              
*TITLE     HIGH DEFINITION SOLUTION STRUCTURE OF PED/PEA-15 DEATH EFFECTOR DOMAIN
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ASTROCYTIC PHOSPHOPROTEIN PEA-15;                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 1-90;                                         
*COMPND   5 SYNONYM: 15 KDA PHOSPHOPROTEIN ENRICHED IN ASTROCYTES;               
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
*SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
*SOURCE   4 ORGANISM_TAXID: 10090;                                               
*SOURCE   5 GENE: PEA15, PEA15A;                                                 
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PQE-9                                      
*KEYWDS    SIX HELIX BUNDLE, DEATH EFFECTOR DOMAIN, DEATH DOMAIN SUPERFAMILY,    
*KEYWDS   2 APOPTOSIS                                                            
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    E.C.TWOMEY, Y.WEI                                                     
*REVDAT   1   08-AUG-12 2LS7    0                                                


! pck2xplr.nawk Table; Input File: pea6n15noefhsqcg_neg.PCK
!   Date: Mon Jul 16 16:55:58 EDT 2001
!   Path: /cordoba1/hillj/pea/structure/noes
!
! 1 :  RES 1 - RES 130
! 2 :  RES 132 - RES 133
! 3 :  RES 134 - RES 130
! Inter1 : interface between 1 and 2
! Inter2 : interface between 2 and 3
! Inter3 : interface between 1 and 3
!@ BEGIN_XPLR_PCK_SUM
! LBL   File-Name                All     Mol.1  Intra1  Seq.1  Short1   Long1   Inter1
! A   pea6n15noefhsqcg.PCK       1141     1133     236    401     381     115        0
! B   pea6noesyirr.PCK             24       24       3      3       7      11        0
! C   pea6c13noe3daro.PCK         183      183      28     23      39      93        0
! D   pea5c13noe3dccH.PCK        1103     1100     187    191     374     348        0
! E   pea54dc13noe.PCK             22       22       8      2       3       9        0
! K   pea6n15noefhsqcg_neg.PCK      9        9       4      1       4       0        0
!    Total                       2482     2471     466    621     808     576        0
!@ END_XPLR_PCK_SUM
! LBL   File-Name                        Mol.2  Intra2  Seq.2  Short2   Long2   Inter2
! A   pea6n15noefhsqcg.PCK                   0       0      0       0       0        0
! B   pea6noesyirr.PCK                       0       0      0       0       0        0
! C   pea6c13noe3daro.PCK                    0       0      0       0       0        0
! D   pea5c13noe3dccH.PCK                    0       0      0       0       0        0
! E   pea54dc13noe.PCK                       0       0      0       0       0        0
! K   pea6n15noefhsqcg_neg.PCK               0       0      0       0       0        0
!    Total                                   0       0      0       0       0        0

! LBL   File-Name                        Mol.3  Intra3  Seq.3  Short3   Long3   Inter3
! A   pea6n15noefhsqcg.PCK                   3       2      1       0       0        2
! B   pea6noesyirr.PCK                       0       0      0       0       0        0
! C   pea6c13noe3daro.PCK                    0       0      0       0       0        0
! D   pea5c13noe3dccH.PCK                    1       1      0       0       0        2
! E   pea54dc13noe.PCK                       0       0      0       0       0        0
! K   pea6n15noefhsqcg_neg.PCK               0       0      0       0       0        0
!    Total                                   4       3      1       0       0        4

!@ BEGIN_XPLR_NOE_FILE
!
!
!
!
!
!
!

! 1
assign (resid   1 and name   HA ) (resid   1 and name  HG# )  2.5  0.7  0.2 !   D.195  at 7.27e+06
assign (resid   1 and name   HA ) (resid   2 and name   HN )  4.0  2.2  1.0 !   A.563  at 1.18e+06
assign (resid   1 and name  HB# ) (resid   2 and name   HN )  4.0  2.2  2.0 !   A.556  at 7.80e+05
assign (resid   1 and name   HA ) (resid   2 and name  HB# )  4.0  2.2  2.5 !   D.202  at 5.53e+05
assign (resid   1 and name  HB# ) (resid   2 and name  HB# )  4.0  2.2  1.5 !   D.227  at 6.95e+05
assign (resid   1 and name   HA ) (resid   3 and name   HN )  4.0  2.2  1.0 !   A.1290 at 1.32e+06
assign (resid   1 and name   HA ) (resid   4 and name   HN )  4.0  2.2  1.0 !   A.584  at 1.30e+06
!assign (resid   1 and name   HA ) (resid   4 and name  HD# )  4.0  2.2  1.0 !   C.69   at -1.28e+06
!assign (resid   1 and name  HB# ) (resid   4 and name  HD# )  4.0  2.2  1.0 !   D.10   at -8.22e+05
!assign (resid   1 and name   HA ) (resid   4 and name   HA )  4.0  2.2  2.0 !* D.200  at 7.77e+05
assign (resid   1 and name   HA ) (resid   4 and name  HB# )  4.0  2.2  1.0 !   D.288  at 6.35e+05
!assign (resid   1 and name   HA ) (resid   5 and name   HN )  4.0  2.2  1.0 !   A.1951 at 1.08e+06
assign (resid   1 and name  HB# ) (resid   5 and name   HN )  4.0  2.2  2.0 !   A.1949 at 5.22e+05
assign (resid   1 and name   HA ) (resid  57 and name  HD# )  4.0  2.2  1.0 !* D.3316 at 1.73e+06
!assign (resid   1 and name   HA ) (resid  57 and name  HB# )  2.5  0.7  0.2 !   D.3400 at 7.86e+06

! 2
assign (resid   2 and name  HB# ) (resid   2 and name   HN )  2.5  0.7  0.9 !   A.567  at 4.20e+06
assign (resid   2 and name   HN ) (resid   3 and name   HN )  4.0  2.2  1.0 !   A.22   at 1.24e+06
assign (resid   2 and name  HB# ) (resid   3 and name   HN )  2.5  0.7  0.9 !   A.1299 at 4.55e+06
!assign (resid   2 and name  HB# ) (resid   3 and name  HG# )  3.0  1.2  0.8 !   D.229  at 1.16e+06
assign (resid   2 and name  HB# ) (resid   3 and name  HB# )  4.0  2.2  1.5 !   D.222  at 6.16e+05
assign (resid   2 and name  HB# ) (resid   3 and name   HA )  3.0  1.2  0.8 !   D.235  at 1.49e+06
!assign (resid   2 and name   HA ) (resid   3 and name  HG# )  4.0  2.2  1.0 !   D.1484 at 7.25e+05
assign (resid   2 and name  HB# ) (resid   4 and name   HN )  4.0  2.2  2.5 !   A.592  at 6.90e+05
assign (resid   2 and name  HB# ) (resid   5 and name   HN )  4.0  2.2  1.5 !   A.1957 at 1.36e+06
assign (resid   2 and name   HA ) (resid   5 and name  HA# )  4.0  2.2  1.0 !   D.2757 at 6.16e+05
assign (resid   2 and name  HB# ) (resid   5 and name  HA# )  4.0  2.2  2.5 !   D.233  at 5.51e+05
assign (resid   2 and name   HA ) (resid   5 and name   HN )  2.5  0.7  0.4 !   A.1952 at 4.18e+06
assign (resid   2 and name  HB# ) (resid   6 and name   HN )  4.0  2.2  2.5 !   A.1176 at 7.85e+05
assign (resid   2 and name  HB# ) (resid  86 and name  HG* )  4.0  2.2  2.5 !* D.216  at 1.30e+06

! 3
assign (resid   3 and name  HB# ) (resid   3 and name   HN )  2.5  0.7  0.4 !   A.1296 at 5.84e+06
assign (resid   3 and name  HG# ) (resid   3 and name   HN )  3.0  1.2  0.5 !   A.1297 at 3.74e+06
assign (resid   3 and name  HG# ) (resid   3 and name   HA )  2.5  0.7  0.2 !   D.241  at 2.84e+06
assign (resid   3 and name  HG# ) (resid   4 and name   HN )  4.0  2.2  2.0 !   A.590  at 8.23e+05
assign (resid   3 and name  HB# ) (resid   4 and name   HN )  3.0  1.2  0.5 !   A.591  at 2.23e+06
assign (resid   3 and name   HA ) (resid   4 and name   HN )  3.0  1.2  0.5 !   A.585  at 2.38e+06
assign (resid   3 and name  HB# ) (resid   5 and name   HN )  4.0  2.2  2.0 !   A.1950 at 7.50e+05
!assign (resid   3 and name  HG# ) (resid   6 and name   HB )  4.0  2.2  1.0 !   D.341  at 7.19e+05
!assign (resid   3 and name   HA ) (resid   6 and name   HB )  2.5  0.7  0.2 !   D.338  at 4.28e+06
assign (resid   3 and name   HA ) (resid   6 and name   HA )  4.0  2.2  2.0 !   D.262  at 5.47e+05
!assign (resid   3 and name   HA ) (resid   6 and name HG2# )  3.0  1.2  0.8 !* D.267  at 2.05e+06
assign (resid   3 and name  HB# ) (resid   6 and name   HN )  4.0  2.2  1.0 !   A.1175 at 1.11e+06
assign (resid   3 and name  HB# ) (resid   6 and name   HB )  4.0  2.2  2.0 !   D.258  at 4.08e+05
assign (resid   3 and name  HB# ) (resid  82 and name  HD# )  3.0  1.2  0.3 !   C.42   at -2.48e+06
assign (resid   3 and name  HG# ) (resid  82 and name  HD# )  4.0  2.2  1.0 !   C.43   at -1.19e+06
assign (resid   3 and name  HB# ) (resid  82 and name  HE# )  2.5  0.7  0.2 !   C.276  at -4.90e+06
assign (resid   3 and name   HA ) (resid  82 and name  HD# )  4.0  2.2  2.0 !   D.263  at -5.08e+05
!assign (resid   3 and name   HN ) (resid  82 and name  HE# )  4.0  2.2  2.0 !   A.488  at 8.70e+05
assign (resid   3 and name  HG# ) (resid  82 and name  HE# )  4.0  2.2  1.0 !* D.2299 at -1.42e+06
!assign (resid   3 and name   HA ) (resid  82 and name  HE# )  3.0  1.2  0.3 !* C.283  at -3.67e+06
assign (resid   3 and name  HG# ) (resid  86 and name  HG* )  2.5  0.7  0.7 !   C.492  at 3.99e+06
assign (resid   3 and name  HB# ) (resid  86 and name  HG* )  2.5  0.7  0.7 !   D.2420 at 3.09e+06
assign (resid   3 and name   HN ) (resid  86 and name  HG* )  4.0  2.2  2.5 !   A.1300 at 6.21e+05
!assign (resid   3 and name   HA ) (resid  86 and name  HG* )  3.0  1.2  0.8 !   D.3499 at 1.81e+06
assign (resid   3 and name  HG# ) (resid  89 and name HD1# )  4.0  2.2  1.5 !   D.247  at 6.28e+05
assign (resid   3 and name  HB# ) (resid  89 and name HD1# )  4.0  2.2  1.5 !   D.259  at 8.14e+05
!assign (resid   3 and name  HG# ) (resid  90 and name  HB# )  4.0  2.2  2.0 !* D.242  at 6.69e+05

! 4
assign (resid   4 and name  HB# ) (resid   4 and name   HN )  3.0  1.2  0.5 !   A.588  at 3.81e+06
assign (resid   4 and name  HD# ) (resid   4 and name   HN )  4.0  2.2  1.0 !* A.25   at 2.67e+06
assign (resid   4 and name  HD# ) (resid   4 and name  HB# )  2.5  0.7  0.2 !   C.72   at -4.22e+06
assign (resid   4 and name  HD# ) (resid   4 and name   HA )  2.5  0.7  0.2 !   C.70   at -3.42e+06
assign (resid   4 and name  HE# ) (resid   4 and name  HB# )  4.0  2.2  1.0 !* D.306  at -1.62e+06
assign (resid   4 and name  HE# ) (resid   4 and name   HA )  4.0  2.2  1.0 !* D.304  at -1.14e+06
assign (resid   4 and name   HN ) (resid   5 and name   HN )  3.0  1.2  0.5 !   A.27   at 2.40e+06
assign (resid   4 and name  HD# ) (resid   5 and name   HN )  4.0  2.2  1.0 !* A.480  at 2.94e+06
assign (resid   4 and name  HB# ) (resid   5 and name   HN )  3.0  1.2  0.5 !   A.1956 at 2.97e+06
assign (resid   4 and name   HA ) (resid   5 and name   HN )  4.0  2.2  1.0 !   A.1953 at 1.57e+06
assign (resid   4 and name  HE# ) (resid   5 and name   HN )  4.0  2.2  2.0 !   A.481  at 4.75e+05
assign (resid   4 and name  HD# ) (resid   5 and name  HA# )  4.0  2.2  2.0 !   D.5    at -4.94e+05
assign (resid   4 and name  HE# ) (resid   5 and name  HA# )  4.0  2.2  2.0 !   D.318  at -4.04e+05
assign (resid   4 and name   HN ) (resid   6 and name   HN )  4.0  2.2  1.0 !   A.208  at 1.23e+06
assign (resid   4 and name   HA ) (resid   6 and name   HN )  4.0  2.2  2.0 !   A.1172 at 7.91e+05
assign (resid   4 and name   HN ) (resid   7 and name   HN )  4.0  2.2  2.0 !   A.40   at 4.16e+05
assign (resid   4 and name   HA ) (resid   7 and name   HN )  3.0  1.2  0.5 !   A.658  at 2.36e+06
assign (resid   4 and name  HD# ) (resid   7 and name  HD* )  2.5  0.7  0.7 !   C.594  at 3.36e+06
assign (resid   4 and name  HE# ) (resid   7 and name  HD* )  4.0  2.2  1.5 !   B.31   at 5.49e+05
assign (resid   4 and name  HD# ) (resid   7 and name  HB# )  4.0  2.2  1.0 !   D.20   at -6.78e+05
assign (resid   4 and name   HA ) (resid   7 and name  HB# )  3.0  1.2  0.3 !   D.275  at 1.38e+06
assign (resid   4 and name   HA ) (resid   7 and name  HD* )  3.0  1.2  0.8 !   D.1112 at 1.66e+06
assign (resid   4 and name  HE# ) (resid   7 and name  HB# )  4.0  2.2  1.0 !   D.308  at -6.38e+05
assign (resid   4 and name  HD# ) (resid   7 and name   HG )  4.0  2.2  1.0 !* C.77   at -2.30e+06
assign (resid   4 and name  HB# ) (resid   7 and name  HD* )  3.0  1.2  0.8 !   D.290  at 1.02e+06
assign (resid   4 and name   HA ) (resid   8 and name   HN )  4.0  2.2  2.0 !   A.1635 at 9.34e+05
assign (resid   4 and name  HE# ) (resid   8 and name  HD* )  2.5  0.7  0.7 !   D.315  at -3.06e+06
assign (resid   4 and name  HD# ) (resid   8 and name  HD* )  2.5  0.7  0.7 !   D.430  at -2.40e+06
assign (resid   4 and name   HA ) (resid   8 and name  HD* )  4.0  2.2  2.5 !   D.280  at 5.26e+05
!assign (resid   4 and name  HD# ) (resid  55 and name  HD* )  3.0  1.2  0.8 !   D.1561 at -1.57e+06
assign (resid   4 and name  HE# ) (resid  55 and name  HD* )  2.5  0.7  0.7 !   D.1559 at -2.35e+06
assign (resid   4 and name  HE# ) (resid  55 and name  HB# )  4.0  2.2  2.0 !   C.273  at -8.21e+05
assign (resid   4 and name  HE# ) (resid  55 and name   HG )  4.0  2.2  1.0 !   C.275  at -1.03e+06
assign (resid   4 and name  HE# ) (resid  56 and name   HN )  4.0  2.2  2.0 !   A.144  at 9.41e+05
assign (resid   4 and name  HD# ) (resid  56 and name   HA )  4.0  2.2  2.0 !   D.9    at -3.09e+05
assign (resid   4 and name  HE# ) (resid  56 and name   HA )  4.0  2.2  1.0 !   D.305  at -7.23e+05
assign (resid   4 and name  HE# ) (resid  57 and name   HN )  4.0  2.2  1.0 !   A.363  at 1.14e+06
assign (resid   4 and name  HD# ) (resid  57 and name   HN )  4.0  2.2  1.0 !   A.364  at 1.22e+06
assign (resid   4 and name  HD# ) (resid  57 and name  HB# )  3.0  1.2  0.3 !   D.8    at -1.38e+06
!assign (resid   4 and name  HB# ) (resid  57 and name   HA )  3.0  1.2  0.3 !   D.1593 at 1.04e+06
assign (resid   4 and name  HD# ) (resid  57 and name   HA )  2.5  0.7  0.2 !   D.1597 at -2.23e+06
!assign (resid   4 and name  HE# ) (resid  57 and name   HA )  2.5  0.7  0.2 !   C.278  at -3.28e+06
assign (resid   4 and name  HE# ) (resid  57 and name  HD# )  4.0  2.2  2.0 !   D.314  at -5.66e+05
assign (resid   4 and name  HE# ) (resid  57 and name  HB# )  4.0  2.2  1.0 !   D.309  at -9.51e+05
assign (resid   4 and name  HD# ) (resid  57 and name  HD# )  4.0  2.2  1.0 !   D.11   at -6.62e+05
!assign (resid   4 and name  HD# ) (resid  60 and name  HD* )  2.5  0.7  0.7 !   D.14   at -2.18e+06
assign (resid   4 and name  HE# ) (resid  60 and name  HD* )  2.5  0.7  0.7 !   C.269  at -3.74e+06
assign (resid   4 and name  HD# ) (resid  60 and name  HB# )  4.0  2.2  2.0 !   D.6    at -4.81e+05
assign (resid   4 and name  HE# ) (resid  60 and name  HB# )  4.0  2.2  1.0 !   D.307  at -6.62e+05
assign (resid   4 and name  HB# ) (resid  60 and name  HB# )  4.0  2.2  2.0 !   D.289  at 3.78e+05
assign (resid   4 and name  HE# ) (resid  63 and name HD1# )  4.0  2.2  2.5 !   D.316  at -4.70e+05
!assign (resid   4 and name  HE# ) (resid  64 and name  HB# )  4.0  2.2  2.0 !   C.255  at -9.25e+05
assign (resid   4 and name  HD# ) (resid  79 and name  HG* )  4.0  2.2  2.5 !   C.82   at -7.04e+05
assign (resid   4 and name  HE# ) (resid  82 and name  HE# )  4.0  2.2  1.0 !   B.2    at 5.85e+05
assign (resid   4 and name   HA ) (resid  82 and name  HD# )  4.0  2.2  1.0 !   C.47   at -1.31e+06
assign (resid   4 and name   HA ) (resid  82 and name  HE# )  2.5  0.7  0.2 !   D.2297 at -2.22e+06
assign (resid   4 and name  HD# ) (resid  82 and name  HD# )  4.0  2.2  2.0 !   C.68   at -7.43e+05
assign (resid   4 and name   HN ) (resid  82 and name  HE# )  4.0  2.2  1.0 !   A.2050 at 1.96e+06
assign (resid   4 and name  HB# ) (resid  82 and name  HE# )  3.0  1.2  0.3 !   C.280  at -2.72e+06
assign (resid   4 and name   HN ) (resid  86 and name  HG* )  4.0  2.2  2.5 !   A.594  at 3.58e+05
assign (resid   4 and name  HB# ) (resid  86 and name  HG* )  4.0  2.2  1.5 !   C.488  at 1.08e+06

! 5
assign (resid   5 and name  HA# ) (resid   6 and name   HN )  3.0  1.2  0.5 !   A.1174 at 3.92e+06
!assign (resid   5 and name   HN ) (resid   6 and name   HN )  2.5  0.7  0.4 !   A.482  at 4.99e+06
assign (resid   5 and name   HN ) (resid   6 and name HG2# )  4.0  2.2  2.5 !   A.1958 at 4.90e+05
assign (resid   5 and name   HN ) (resid   7 and name   HN )  4.0  2.2  2.0 !   A.39   at 7.80e+05
assign (resid   5 and name  HA# ) (resid   7 and name   HN )  4.0  2.2  1.0 !   A.660  at 1.09e+06
assign (resid   5 and name   HN ) (resid   7 and name  HD* )  4.0  2.2  2.5 !   A.1947 at 4.10e+05
assign (resid   5 and name  HA# ) (resid   8 and name   HN )  4.0  2.2  1.0 !   A.1628 at 1.17e+06
assign (resid   5 and name   HN ) (resid   8 and name   HN )  4.0  2.2  2.0 !   A.484  at 6.77e+05
assign (resid   5 and name   HN ) (resid   8 and name  HD* )  4.0  2.2  2.5 !   A.1960 at 5.11e+05
assign (resid   5 and name  HA# ) (resid   8 and name  HD* )  2.5  0.7  0.7 !   D.432  at 2.19e+06
assign (resid   5 and name  HA# ) (resid   8 and name  HB# )  4.0  2.2  1.0 !   D.322  at 6.75e+05
assign (resid   5 and name  HA# ) (resid   8 and name   HG )  4.0  2.2  2.0 !   D.2667 at 4.78e+05
assign (resid   5 and name  HA# ) (resid   9 and name   HN )  4.0  2.2  2.0 !   A.953  at 9.03e+05
!assign (resid   5 and name   HN ) (resid  55 and name  HD* )  4.0  2.2  2.5 !   A.1959 at 5.68e+05

! 6
assign (resid   6 and name   HB ) (resid   6 and name   HN )  2.5  0.7  0.4 !   A.1171 at 1.10e+07
assign (resid   6 and name HG2# ) (resid   6 and name   HN )  2.5  0.7  0.9 !   A.1177 at 5.14e+06
assign (resid   6 and name   HA ) (resid   6 and name HG2# )  2.5  0.7  0.7 !   D.336  at 9.64e+06
assign (resid   6 and name HG2# ) (resid   7 and name   HN )  2.5  0.7  0.9 !   A.667  at 7.99e+06
assign (resid   6 and name   HN ) (resid   7 and name   HN )  2.5  0.7  0.4 !   A.38   at 6.03e+06
assign (resid   6 and name   HB ) (resid   7 and name   HN )  2.5  0.7  0.4 !   A.657  at 8.63e+06
assign (resid   6 and name   HA ) (resid   7 and name   HN )  3.0  1.2  0.5 !   A.659  at 2.99e+06
assign (resid   6 and name HG2# ) (resid   7 and name   HA )  3.0  1.2  0.8 !   D.348  at 1.16e+06
assign (resid   6 and name   HN ) (resid   8 and name   HN )  4.0  2.2  2.0 !   A.347  at 4.86e+05
assign (resid   6 and name   HA ) (resid   8 and name   HN )  4.0  2.2  1.0 !   A.1636 at 1.20e+06
assign (resid   6 and name HG2# ) (resid   8 and name   HN )  4.0  2.2  1.5 !* A.1657 at 2.33e+06
!assign (resid   6 and name   HA ) (resid   9 and name   HN )  2.5  0.7  0.4 !   A.2016 at 7.24e+06
assign (resid   6 and name HG2# ) (resid   9 and name   HN )  4.0  2.2  1.5 !   A.966  at 1.22e+06
assign (resid   6 and name   HB ) (resid   9 and name  HB# )  4.0  2.2  1.0 !   D.340  at 9.86e+05
assign (resid   6 and name   HA ) (resid   9 and name  HG# )  2.5  0.7  0.2 !   D.334  at 2.49e+06
assign (resid   6 and name   HA ) (resid   9 and name  HB# )  2.5  0.7  0.2 !   D.335  at 6.00e+06
assign (resid   6 and name   HA ) (resid   9 and name   HA )  4.0  2.2  1.0 !* D.331  at 1.10e+06
assign (resid   6 and name   HB ) (resid   9 and name  HG# )  4.0  2.2  1.0 !* D.495  at 1.58e+06
assign (resid   6 and name HG2# ) (resid   9 and name  HG# )  2.5  0.7  0.7 !   D.500  at 2.95e+06
assign (resid   6 and name HG2# ) (resid   9 and name HE2# )  4.0  2.2  2.5 !   A.1804 at 6.15e+05
assign (resid   6 and name   HA ) (resid   9 and name HE2# )  4.0  2.2  2.0 !   A.1798 at 5.82e+05
assign (resid   6 and name HG2# ) (resid   9 and name  HB# )  2.5  0.7  0.7 !   D.1219 at 4.28e+06
!assign (resid   6 and name   HA ) (resid  10 and name   HN )  3.0  1.2  0.5 !   A.2030 at 3.87e+06
assign (resid   6 and name HG2# ) (resid  10 and name   HN )  3.0  1.2  1.0 !   A.717  at 2.14e+06
assign (resid   6 and name HG2# ) (resid  10 and name  HB# )  3.0  1.2  0.8 !   D.3142 at 1.27e+06

! 7
assign (resid   7 and name  HD* ) (resid   7 and name   HN )  3.0  1.2  1.0 !   A.670  at 2.89e+06
assign (resid   7 and name  HB# ) (resid   7 and name   HN )  2.5  0.7  0.4 !   A.665  at 4.77e+06
assign (resid   7 and name   HG ) (resid   7 and name   HN )  4.0  2.2  1.0 !* A.668  at 2.16e+06
assign (resid   7 and name   HA ) (resid   7 and name  HD* )  2.5  0.7  0.7 !   D.346  at 4.52e+06
assign (resid   7 and name   HA ) (resid   7 and name   HG )  3.0  1.2  0.3 !   D.347  at 1.72e+06
assign (resid   7 and name  HB# ) (resid   7 and name  HD* )  2.5  0.7  0.7 !   D.387  at 5.31e+06
assign (resid   7 and name   HN ) (resid   8 and name  HD* )  4.0  2.2  2.5 !   A.672  at 5.96e+05
assign (resid   7 and name   HG ) (resid   8 and name   HN )  4.0  2.2  1.0 !   A.1658 at 1.52e+06
assign (resid   7 and name  HD* ) (resid   8 and name   HN )  2.5  0.7  0.9 !   A.1660 at 7.50e+06
assign (resid   7 and name  HB# ) (resid   8 and name   HN )  3.0  1.2  0.5 !   A.1655 at 2.39e+06
assign (resid   7 and name   HA ) (resid   8 and name   HN )  4.0  2.2  1.0 !   A.1634 at 1.57e+06
assign (resid   7 and name  HD* ) (resid   8 and name   HA )  4.0  2.2  1.5 !   D.487  at 6.98e+05
assign (resid   7 and name  HD* ) (resid   8 and name  HD* )  2.5  0.7  1.2 !   D.391  at 1.13e+07
assign (resid   7 and name   HG ) (resid   8 and name  HD* )  3.0  1.2  0.8 !* C.429  at 3.58e+06
assign (resid   7 and name  HB# ) (resid   8 and name  HD* )  4.0  2.2  2.5 !   C.418  at 8.09e+05
assign (resid   7 and name   HA ) (resid   8 and name  HD* )  4.0  2.2  2.5 !   C.502  at 6.84e+05
assign (resid   7 and name  HB# ) (resid   9 and name   HN )  4.0  2.2  2.0 !   A.964  at 4.11e+05
assign (resid   7 and name   HA ) (resid   9 and name   HN )  4.0  2.2  1.0 !   A.949  at 1.03e+06
assign (resid   7 and name  HD* ) (resid   9 and name   HN )  4.0  2.2  1.5 !   A.968  at 1.73e+06
assign (resid   7 and name   HN ) (resid  10 and name   HN )  4.0  2.2  2.0 !   A.41   at 4.71e+05
assign (resid   7 and name   HA ) (resid  10 and name   HN )  3.0  1.2  0.5 !   A.706  at 2.86e+06
assign (resid   7 and name  HD* ) (resid  10 and name   HN )  4.0  2.2  1.5 !   A.718  at 1.32e+06
assign (resid   7 and name  HD* ) (resid  11 and name   HN )  4.0  2.2  2.5 !   A.1200 at 5.02e+05
assign (resid   7 and name   HA ) (resid  11 and name   HN )  4.0  2.2  2.0 !   A.1188 at 8.37e+05
assign (resid   7 and name  HD* ) (resid  11 and name  HB# )  4.0  2.2  1.5 !   D.385  at 7.44e+05
assign (resid   7 and name  HD* ) (resid  11 and name  HD* )  2.5  0.7  1.2 !   D.541  at 3.61e+06
assign (resid   7 and name  HD* ) (resid  46 and name  HE# )  4.0  2.2  2.5 !   C.128  at -7.55e+05
!assign (resid   7 and name  HD* ) (resid  58 and name   HA )  4.0  2.2  1.5 !* D.1613 at 1.94e+06
assign (resid   7 and name  HD* ) (resid  63 and name HD1# )  4.0  2.2  1.5 !* D.396  at 1.62e+06
assign (resid   7 and name  HD* ) (resid  75 and name   HA )  4.0  2.2  1.5 !   D.1974 at 7.13e+05
assign (resid   7 and name  HD* ) (resid  78 and name   HA )  4.0  2.2  1.5 !   D.2148 at 8.54e+05
assign (resid   7 and name  HD* ) (resid  78 and name  HG# )  4.0  2.2  1.5 !   D.398  at 6.99e+05
assign (resid   7 and name  HD* ) (resid  79 and name   HN )  4.0  2.2  2.5 !   A.1154 at 5.65e+05
assign (resid   7 and name  HD* ) (resid  79 and name   HA )  3.0  1.2  0.8 !* D.2165 at 4.52e+06
assign (resid   7 and name  HD* ) (resid  79 and name  HG* )  4.0  2.2  2.0 !   E.530  at 7.33e+05
!assign (resid   7 and name   HG ) (resid  79 and name   HA )  3.0  1.2  0.3 !   C.578  at -2.40e+06
assign (resid   7 and name  HD* ) (resid  80 and name   HN )  4.0  2.2  2.5 !   A.831  at 3.97e+05
assign (resid   7 and name  HD* ) (resid  82 and name   HN )  4.0  2.2  1.5 !   A.867  at 1.61e+06
assign (resid   7 and name  HD* ) (resid  82 and name  HE# )  3.0  1.2  0.8 !* D.383  at -2.23e+06
assign (resid   7 and name  HD* ) (resid  82 and name  HD# )  2.5  0.7  0.7 !   C.34   at -3.12e+06
assign (resid   7 and name   HA ) (resid  82 and name  HD# )  4.0  2.2  2.0 !   D.350  at -4.27e+05
assign (resid   7 and name  HD* ) (resid  82 and name  HB# )  2.5  0.7  0.7 !   C.410  at 3.24e+06
assign (resid   7 and name   HN ) (resid  82 and name  HD# )  4.0  2.2  1.0 !   A.37   at 1.08e+06
assign (resid   7 and name   HN ) (resid  82 and name  HE# )  4.0  2.2  2.0 !   A.35   at 8.03e+05
!assign (resid   7 and name   HG ) (resid  82 and name   HN )  4.0  2.2  2.0 !   A.866  at 8.71e+05
assign (resid   7 and name  HD* ) (resid  82 and name   HA )  4.0  2.2  1.5 !* D.2270 at 1.39e+06
!assign (resid   7 and name   HG ) (resid  82 and name  HE# )  4.0  2.2  1.0 !* D.2301 at -1.49e+06
assign (resid   7 and name  HB# ) (resid  82 and name  HD# )  4.0  2.2  2.0 !   D.368  at -4.10e+05
assign (resid   7 and name  HD* ) (resid  83 and name   HN )  4.0  2.2  2.5 !   A.1183 at 5.56e+05
assign (resid   7 and name  HD* ) (resid  83 and name  HB# )  4.0  2.2  1.5 !   D.399  at 6.75e+05
!assign (resid   7 and name  HD* ) (resid  86 and name  HG* )  2.5  0.7  1.2 !   D.2429 at 5.10e+06
!assign (resid   7 and name  HD* ) (resid  86 and name   HB )  4.0  2.2  1.5 !   D.395  at 7.95e+05

! 8
assign (resid   8 and name  HB# ) (resid   8 and name   HN )  2.5  0.7  0.4 !   A.1656 at 4.11e+06
assign (resid   8 and name  HD* ) (resid   8 and name   HN )  3.0  1.2  1.0 !   A.1684 at 3.17e+06
assign (resid   8 and name   HA ) (resid   8 and name   HG )  2.5  0.7  0.2 !   D.484  at 2.14e+06
assign (resid   8 and name   HA ) (resid   8 and name  HD* )  2.5  0.7  0.7 !   D.480  at 4.62e+06
assign (resid   8 and name  HB# ) (resid   8 and name  HD* )  2.5  0.7  0.7 !   D.433  at 8.62e+06
assign (resid   8 and name   HA ) (resid   9 and name   HN )  4.0  2.2  1.0 !   A.952  at 1.57e+06
assign (resid   8 and name  HD* ) (resid   9 and name   HN )  4.0  2.2  1.5 !   A.970  at 1.02e+06
assign (resid   8 and name  HB# ) (resid   9 and name   HN )  3.0  1.2  0.5 !   A.965  at 2.85e+06
assign (resid   8 and name  HD* ) (resid   9 and name   HA )  4.0  2.2  2.5 !   D.518  at 5.04e+05
assign (resid   8 and name  HD* ) (resid   9 and name  HG# )  4.0  2.2  2.5 !   D.501  at 3.50e+05
assign (resid   8 and name   HA ) (resid  10 and name   HN )  4.0  2.2  2.0 !   A.710  at 4.84e+05
assign (resid   8 and name   HN ) (resid  10 and name   HN )  4.0  2.2  2.0 !   A.348  at 4.06e+05
assign (resid   8 and name  HB# ) (resid  10 and name   HN )  4.0  2.2  2.0 !   A.716  at 9.75e+05
assign (resid   8 and name   HA ) (resid  11 and name   HN )  4.0  2.2  1.0 !   A.1186 at 1.39e+06
assign (resid   8 and name   HA ) (resid  11 and name  HB# )  4.0  2.2  1.0 !   D.479  at 8.87e+05
assign (resid   8 and name  HD* ) (resid  11 and name  HD* )  2.5  0.7  1.2 !   D.553  at 4.00e+06
assign (resid   8 and name  HD* ) (resid  11 and name  HB# )  4.0  2.2  1.5 !   C.506  at 1.53e+06
assign (resid   8 and name   HA ) (resid  11 and name  HD* )  2.5  0.7  0.7 !   D.3327 at 2.14e+06
assign (resid   8 and name   HA ) (resid  12 and name   HN )  4.0  2.2  1.0 !   A.1771 at 1.32e+06
assign (resid   8 and name  HB# ) (resid  12 and name   HN )  4.0  2.2  1.0 !   A.1773 at 1.48e+06
assign (resid   8 and name  HB# ) (resid  12 and name HG2# )  4.0  2.2  2.5 !   D.586  at 4.94e+05
assign (resid   8 and name  HD* ) (resid  43 and name   HA )  4.0  2.2  2.5 !   D.1240 at 5.55e+05
assign (resid   8 and name  HD* ) (resid  46 and name  HD# )  2.5  0.7  0.7 !   C.94   at -3.26e+06
assign (resid   8 and name  HD* ) (resid  46 and name  HE# )  3.0  1.2  0.8 !   D.3352 at -1.49e+06
assign (resid   8 and name  HB# ) (resid  46 and name  HE# )  2.5  0.7  0.2 !   C.301  at -3.87e+06
assign (resid   8 and name   HA ) (resid  46 and name  HD# )  4.0  2.2  2.0 !   D.30   at -4.00e+05
assign (resid   8 and name  HD* ) (resid  46 and name   HZ )  4.0  2.2  2.5 !   D.172  at -4.55e+05
assign (resid   8 and name  HD* ) (resid  46 and name   HA )  3.0  1.2  0.8 !   D.429  at 1.42e+06
assign (resid   8 and name  HD* ) (resid  46 and name  HB# )  3.0  1.2  0.8 !* D.434  at 2.35e+06
assign (resid   8 and name  HB# ) (resid  46 and name  HD# )  2.5  0.7  0.2 !   C.91   at -5.77e+06
assign (resid   8 and name   HA ) (resid  46 and name  HE# )  4.0  2.2  2.0 !   C.131  at -5.50e+05
assign (resid   8 and name  HB# ) (resid  46 and name   HZ )  4.0  2.2  1.0 !   C.175  at -1.78e+06
assign (resid   8 and name   HA ) (resid  46 and name   HZ )  4.0  2.2  2.0 !   C.171  at -4.25e+05
assign (resid   8 and name   HG ) (resid  46 and name   HZ )  4.0  2.2  1.0 !   D.3355 at -8.09e+05
assign (resid   8 and name HD1# ) (resid  46 and name  HB# )  4.0  2.2  1.5 !   D.1340 at 7.35e+05
assign (resid   8 and name   HG ) (resid  46 and name   HA )  4.0  2.2  1.0 !   D.1061 at 7.56e+05
assign (resid   8 and name  HD* ) (resid  47 and name   HN )  4.0  2.2  2.5 !   A.1774 at 5.24e+05
assign (resid   8 and name  HD* ) (resid  47 and name   HA )  4.0  2.2  2.5 !   C.427  at 8.55e+05
!assign (resid   8 and name  HD* ) (resid  49 and name  HD* )  3.0  1.2  1.3 !   D.442  at 1.16e+06
assign (resid   8 and name  HD* ) (resid  50 and name  HB# )  4.0  2.2  1.5 !   D.443  at 6.82e+05
assign (resid   8 and name  HD* ) (resid  50 and name  HG# )  4.0  2.2  1.5 !   D.415  at 7.20e+05
assign (resid   8 and name  HB# ) (resid  55 and name  HD* )  4.0  2.2  1.5 !   D.1540 at 6.04e+05
assign (resid   8 and name  HD* ) (resid  55 and name  HD* )  2.5  0.7  1.2 !   D.441  at 2.51e+06
!assign (resid   8 and name  HD* ) (resid  55 and name   HG )  2.5  0.7  0.7 !   D.3350 at 6.12e+06
assign (resid   8 and name  HD* ) (resid  56 and name   HA )  4.0  2.2  2.5 !   D.448  at 4.40e+05
assign (resid   8 and name  HD* ) (resid  57 and name   HA )  4.0  2.2  1.5 !   D.3437 at 6.32e+05
assign (resid   8 and name  HD* ) (resid  60 and name  HB# )  4.0  2.2  1.5 !   D.449  at 7.58e+05
assign (resid   8 and name  HD* ) (resid  60 and name   HA )  4.0  2.2  2.5 !   D.408  at 3.68e+05
assign (resid   8 and name  HD* ) (resid  63 and name HD1# )  3.0  1.2  1.3 !   D.423  at 1.95e+06
!assign (resid   8 and name  HD* ) (resid  67 and name  HE# )  3.0  1.2  0.8 !   D.3432 at -1.96e+06

! 9
assign (resid   9 and name  HG# ) (resid   9 and name   HN )  3.0  1.2  0.5 !* A.959  at 4.41e+06
assign (resid   9 and name  HB# ) (resid   9 and name   HN )  2.5  0.7  0.4 !   A.963  at 9.57e+06
assign (resid   9 and name  HB# ) (resid   9 and name HE2# )  4.0  2.2  2.0 !   A.1809 at 4.71e+05
assign (resid   9 and name  HG# ) (resid   9 and name HE2# )  2.5  0.7  0.2 !   A.1802 at 5.52e+06
assign (resid   9 and name   HA ) (resid   9 and name HE2# )  4.0  2.2  2.0 !   A.1797 at 8.89e+05
assign (resid   9 and name   HA ) (resid   9 and name  HG# )  2.5  0.7  0.2 !   D.512  at 5.00e+06
assign (resid   9 and name   HA ) (resid  10 and name   HN )  3.0  1.2  0.5 !   A.707  at 3.87e+06
assign (resid   9 and name   HN ) (resid  10 and name   HN )  2.5  0.7  0.4 !   A.63   at 7.51e+06
assign (resid   9 and name  HG# ) (resid  10 and name   HN )  3.0  1.2  0.5 !   A.713  at 2.90e+06
assign (resid   9 and name  HG# ) (resid  10 and name   HA )  4.0  2.2  1.0 !* D.3505 at 2.17e+06
assign (resid   9 and name  HB# ) (resid  10 and name   HN )  2.5  0.7  0.4 !   A.2029 at 6.22e+06
assign (resid   9 and name  HG# ) (resid  10 and name  HB# )  4.0  2.2  1.0 !   D.497  at 6.17e+05
assign (resid   9 and name   HN ) (resid  11 and name   HN )  4.0  2.2  1.0 !   A.202  at 1.09e+06
assign (resid   9 and name  HG# ) (resid  11 and name   HN )  4.0  2.2  2.0 !   A.1220 at 5.10e+05
!assign (resid   9 and name   HA ) (resid  12 and name   HB )  2.5  0.7  0.2 !   D.136  at 5.16e+06
assign (resid   9 and name  HG# ) (resid  12 and name   HB )  4.0  2.2  1.0 !   C.563  at -1.56e+06
assign (resid   9 and name  HB# ) (resid  12 and name   HB )  4.0  2.2  1.0 !* D.139  at 1.29e+06
assign (resid   9 and name   HA ) (resid  12 and name   HA )  4.0  2.2  2.0 !   D.144  at 4.57e+05
!assign (resid   9 and name   HA ) (resid  12 and name HG2# )  2.5  0.7  0.7 !   D.581  at 4.87e+06
assign (resid   9 and name  HG# ) (resid  12 and name HG2# )  4.0  2.2  1.5 !* D.590  at 1.36e+06
assign (resid   9 and name HE2# ) (resid  12 and name HG2# )  3.0  1.2  0.8 !   A.1806 at 2.53e+06
assign (resid   9 and name HE2# ) (resid  12 and name   HB )  4.0  2.2  2.0 !   A.1792 at 6.32e+05
assign (resid   9 and name  HG# ) (resid  13 and name   HN )  4.0  2.2  1.0 !   A.1231 at 1.39e+06
assign (resid   9 and name  HB# ) (resid  13 and name   HN )  4.0  2.2  2.0 !   A.1233 at 6.04e+05
assign (resid   9 and name  HB# ) (resid  13 and name HD2# )  4.0  2.2  2.0 !   A.1891 at 4.88e+05
assign (resid   9 and name  HG# ) (resid  13 and name HD2# )  3.0  1.2  0.3 !   A.1890 at 3.00e+06
assign (resid   9 and name HE2# ) (resid  13 and name   HN )  4.0  2.2  2.0 !   A.219  at 5.05e+05
assign (resid   9 and name   HA ) (resid  13 and name HD2# )  4.0  2.2  2.0 !   A.1887 at 3.41e+05

! 10
assign (resid  10 and name  HB# ) (resid  10 and name   HN )  2.5  0.7  0.4 !   A.712  at 5.57e+06
assign (resid  10 and name   HN ) (resid  11 and name   HN )  2.5  0.7  0.4 !   A.59   at 5.25e+06
assign (resid  10 and name  HB# ) (resid  11 and name   HN )  3.0  1.2  0.5 !   A.1191 at 2.91e+06
assign (resid  10 and name   HA ) (resid  11 and name   HN )  4.0  2.2  1.0 !   A.1187 at 1.59e+06
assign (resid  10 and name  HB# ) (resid  11 and name   HA )  4.0  2.2  1.0 !   D.569  at 6.24e+05
assign (resid  10 and name   HA ) (resid  11 and name  HB# )  4.0  2.2  2.0 !* D.2255 at 6.37e+05
assign (resid  10 and name   HN ) (resid  12 and name   HN )  4.0  2.2  1.0 !   A.61   at 1.28e+06
assign (resid  10 and name   HN ) (resid  13 and name   HN )  4.0  2.2  2.0 !   A.62   at 6.67e+05
!assign (resid  10 and name   HA ) (resid  13 and name   HN )  2.5  0.7  0.4 !   A.1225 at 6.36e+06
assign (resid  10 and name  HB# ) (resid  13 and name   HN )  4.0  2.2  2.0 !   A.1236 at 5.02e+05
assign (resid  10 and name   HA ) (resid  13 and name HD2# )  3.0  1.2  0.3 !   A.1886 at 2.19e+06
!assign (resid  10 and name   HA ) (resid  13 and name  HB# )  2.5  0.7  0.2 !   D.2253 at 4.04e+06
assign (resid  10 and name   HN ) (resid  14 and name   HN )  4.0  2.2  2.0 !   A.64   at 5.97e+05
assign (resid  10 and name   HA ) (resid  14 and name   HN )  4.0  2.2  2.0 !   A.1403 at 5.34e+05
assign (resid  10 and name   HA ) (resid  14 and name HD2# )  4.0  2.2  2.0 !   A.1568 at 6.93e+05
assign (resid  10 and name  HB# ) (resid  14 and name HD2# )  4.0  2.2  2.0 !   A.1602 at 4.66e+05

! 11
assign (resid  11 and name  HD* ) (resid  11 and name   HN )  2.5  0.7  0.9 !   A.1198 at 4.14e+06
assign (resid  11 and name  HB# ) (resid  11 and name   HN )  3.0  1.2  0.5 !   A.1195 at 3.44e+06
assign (resid  11 and name   HA ) (resid  11 and name  HD* )  2.5  0.7  0.7 !   D.570  at 3.93e+06
assign (resid  11 and name  HB# ) (resid  11 and name  HD* )  2.5  0.7  0.7 !   D.538  at 2.49e+06
assign (resid  11 and name   HN ) (resid  12 and name   HN )  2.5  0.7  0.4 !   A.199  at 4.56e+06
assign (resid  11 and name  HB# ) (resid  12 and name   HN )  3.0  1.2  0.5 !   A.1755 at 3.27e+06
assign (resid  11 and name  HD* ) (resid  12 and name   HN )  4.0  2.2  1.5 !   A.1757 at 1.91e+06
assign (resid  11 and name  HB# ) (resid  12 and name HG2# )  4.0  2.2  2.5 !   D.584  at 4.00e+05
assign (resid  11 and name  HD* ) (resid  12 and name HG2# )  3.0  1.2  1.3 !   D.593  at 1.12e+06
assign (resid  11 and name   HN ) (resid  13 and name   HN )  4.0  2.2  1.0 !   A.200  at 1.51e+06
assign (resid  11 and name  HD* ) (resid  13 and name   HN )  4.0  2.2  2.5 !   A.1244 at 4.82e+05
assign (resid  11 and name   HN ) (resid  14 and name   HN )  4.0  2.2  2.0 !   A.203  at 4.12e+05
assign (resid  11 and name  HD* ) (resid  14 and name   HN )  4.0  2.2  2.5 !   A.1413 at 3.26e+05
assign (resid  11 and name   HA ) (resid  14 and name   HN )  3.0  1.2  0.5 !   A.1404 at 3.16e+06
assign (resid  11 and name   HA ) (resid  14 and name HD2# )  4.0  2.2  2.0 !   A.1552 at 8.11e+05
assign (resid  11 and name   HA ) (resid  14 and name  HB# )  4.0  2.2  2.0 !   D.608  at 5.44e+05
assign (resid  11 and name  HB# ) (resid  14 and name   HN )  4.0  2.2  2.0 !   A.1412 at 8.08e+05
assign (resid  11 and name  HD* ) (resid  14 and name  HB# )  4.0  2.2  1.5 !   D.612  at 7.15e+05
assign (resid  11 and name  HB# ) (resid  15 and name HG2# )  4.0  2.2  1.5 !* D.632  at 1.58e+06
assign (resid  11 and name  HB# ) (resid  15 and name   HN )  4.0  2.2  2.0 !   A.1071 at 7.25e+05
!assign (resid  11 and name   HA ) (resid  15 and name HG2# )  4.0  2.2  1.5 !   D.516  at 9.40e+05
!assign (resid  11 and name   HA ) (resid  15 and name HD1# )  4.0  2.2  2.5 !* D.517  at 2.07e+06
assign (resid  11 and name  HD* ) (resid  15 and name HD1# )  2.5  0.7  1.2 !   D.565  at 3.05e+06
assign (resid  11 and name  HB# ) (resid  15 and name HD1# )  4.0  2.2  2.5 !   D.627  at 4.56e+05
assign (resid  11 and name  HD* ) (resid  46 and name  HE# )  3.0  1.2  0.8 !   D.120  at -1.43e+06
assign (resid  11 and name  HB# ) (resid  46 and name  HE# )  4.0  2.2  1.0 !   D.116  at -6.87e+05
assign (resid  11 and name  HD* ) (resid  46 and name   HZ )  2.5  0.7  0.7 !   C.511  at -3.05e+06
assign (resid  11 and name  HB# ) (resid  46 and name   HZ )  4.0  2.2  1.0 !   C.176  at -1.08e+06
assign (resid  11 and name  HD* ) (resid  46 and name  HD# )  3.0  1.2  0.8 !   D.3295 at -1.37e+06
assign (resid  11 and name   HN ) (resid  46 and name   HZ )  4.0  2.2  1.0 !   A.204  at 1.03e+06
assign (resid  11 and name   HN ) (resid  46 and name  HE# )  4.0  2.2  2.0 !   A.2053 at 9.98e+05
assign (resid  11 and name  HD* ) (resid  55 and name  HD* )  3.0  1.2  1.3 !   D.542  at 1.38e+06
assign (resid  11 and name  HD* ) (resid  63 and name HD1# )  2.5  0.7  1.2 !   D.544  at 3.26e+06
assign (resid  11 and name  HD* ) (resid  67 and name  HE# )  3.0  1.2  0.8 !   D.546  at -1.67e+06
assign (resid  11 and name  HD* ) (resid  67 and name   HZ )  3.0  1.2  0.8 !   D.1905 at -1.49e+06
assign (resid  11 and name   HN ) (resid  75 and name   HG )  4.0  2.2  2.0 !   A.1199 at 5.59e+05
assign (resid  11 and name   HA ) (resid  75 and name  HD* )  4.0  2.2  1.5 !   D.2037 at 6.73e+05
assign (resid  11 and name  HB# ) (resid  75 and name   HG )  3.0  1.2  0.3 !   D.2431 at 1.13e+06
assign (resid  11 and name  HD* ) (resid  75 and name   HN )  4.0  2.2  1.5 !   A.2034 at 1.20e+06
assign (resid  11 and name  HD* ) (resid  75 and name   HG )  2.5  0.7  0.7 !   D.567  at 5.46e+06
assign (resid  11 and name  HD* ) (resid  75 and name  HB# )  2.5  0.7  0.7 !   D.562  at 2.82e+06
!assign (resid  11 and name  HD* ) (resid  75 and name   HA )  3.0  1.2  0.8 !   D.557  at 1.35e+06
assign (resid  11 and name  HD* ) (resid  75 and name  HD* )  2.5  0.7  1.2 !   D.3343 at 5.04e+06
!assign (resid  11 and name   HA ) (resid  75 and name   HG )  2.5  0.7  0.2 !   D.3402 at 4.49e+06
assign (resid  11 and name  HD* ) (resid  78 and name   HN )  4.0  2.2  1.5 !   A.1258 at 1.74e+06
assign (resid  11 and name  HD* ) (resid  78 and name  HG# )  4.0  2.2  2.5 !   D.2162 at 5.40e+05
assign (resid  11 and name  HD* ) (resid  78 and name  HB# )  2.5  0.7  0.7 !   D.2095 at 2.30e+06
assign (resid  11 and name  HD* ) (resid  79 and name  HG* )  2.5  0.7  1.2 !   D.2202 at 7.77e+06
assign (resid  11 and name  HD* ) (resid  79 and name   HN )  3.0  1.2  1.0 !   A.2038 at 2.13e+06
assign (resid  11 and name  HD* ) (resid  82 and name  HB# )  4.0  2.2  1.5 !   D.2278 at 6.28e+05
!assign (resid  11 and name  HD* ) (resid  82 and name   HN )  4.0  2.2  2.5 !   A.2084 at 8.71e+05

! 12
assign (resid  12 and name   HB ) (resid  12 and name   HN )  2.5  0.7  0.4 !   A.1752 at 9.53e+06
assign (resid  12 and name HG2# ) (resid  12 and name   HN )  2.5  0.7  0.9 !   A.1756 at 6.67e+06
assign (resid  12 and name   HA ) (resid  12 and name HG2# )  2.5  0.7  0.7 !   D.151  at 5.02e+06
assign (resid  12 and name   HN ) (resid  13 and name   HN )  2.5  0.7  0.4 !   A.221  at 6.43e+06
assign (resid  12 and name HG2# ) (resid  13 and name   HA )  4.0  2.2  1.5 !* D.582  at 1.69e+06
assign (resid  12 and name   HA ) (resid  13 and name   HN )  3.0  1.2  0.5 !* A.1224 at 5.08e+06
assign (resid  12 and name HG2# ) (resid  13 and name   HN )  2.5  0.7  0.9 !   A.1232 at 4.42e+06
assign (resid  12 and name   HB ) (resid  13 and name   HN )  2.5  0.7  0.4 !   A.1223 at 6.36e+06
assign (resid  12 and name HG2# ) (resid  13 and name HD2# )  4.0  2.2  2.5 !   A.1892 at 3.44e+05
assign (resid  12 and name   HN ) (resid  14 and name   HN )  4.0  2.2  1.0 !   A.275  at 1.03e+06
assign (resid  12 and name   HB ) (resid  15 and name HG2# )  4.0  2.2  1.5 !   D.141  at 6.50e+05
assign (resid  12 and name   HA ) (resid  15 and name HD1# )  4.0  2.2  1.5 !* D.150  at 1.22e+06
assign (resid  12 and name   HA ) (resid  15 and name HG1# )  4.0  2.2  1.0 !   D.152  at 7.67e+05
assign (resid  12 and name   HA ) (resid  15 and name HG2# )  2.5  0.7  0.7 !   D.149  at 2.46e+06
assign (resid  12 and name   HA ) (resid  15 and name   HB )  3.0  1.2  0.3 !   D.649  at 1.14e+06
!assign (resid  12 and name HG2# ) (resid  15 and name HD1# )  3.0  1.2  1.3 !   D.599  at 1.18e+06
assign (resid  12 and name HG2# ) (resid  15 and name HG2# )  2.5  0.7  1.2 !   D.594  at 2.38e+06
assign (resid  12 and name HG2# ) (resid  15 and name   HB )  3.0  1.2  0.8 !   D.585  at 1.21e+06
!assign (resid  12 and name   HA ) (resid  15 and name   HN )  3.0  1.2  0.5 !   A.1065 at 3.55e+06
!assign (resid  12 and name HG2# ) (resid  15 and name HG1# )  3.0  1.2  0.8 !   D.591  at 1.53e+06
assign (resid  12 and name   HB ) (resid  15 and name   HB )  4.0  2.2  2.0 !   C.565  at -6.36e+05
!assign (resid  12 and name HG2# ) (resid  41 and name   HB )  3.0  1.2  0.8 !* D.579  at 2.07e+06
assign (resid  12 and name   HB ) (resid  42 and name  HA# )  4.0  2.2  1.0 !   D.142  at 6.10e+05
assign (resid  12 and name   HA ) (resid  42 and name  HA# )  4.0  2.2  1.0 !   D.148  at 8.22e+05
assign (resid  12 and name HG2# ) (resid  42 and name  HA# )  2.5  0.7  0.7 !   D.1228 at 2.03e+06
assign (resid  12 and name HG2# ) (resid  42 and name   HN )  4.0  2.2  1.5 !   A.1927 at 1.75e+06
assign (resid  12 and name   HB ) (resid  42 and name   HN )  4.0  2.2  2.0 !   A.1924 at 4.67e+05
!assign (resid  12 and name HG2# ) (resid  43 and name  HB# )  2.5  0.7  0.7 !   D.1247 at 4.02e+06
!assign (resid  12 and name HG2# ) (resid  43 and name   HA )  2.5  0.7  0.7 !   D.596  at 2.11e+06
assign (resid  12 and name HG2# ) (resid  43 and name   HN )  2.5  0.7  0.9 !   A.1725 at 5.62e+06
assign (resid  12 and name HG2# ) (resid  44 and name   HN )  4.0  2.2  2.5 !   A.623  at 7.93e+05
!assign (resid  12 and name   HA ) (resid  46 and name  HD# )  4.0  2.2  1.0 !   D.31   at 9.88e+05
assign (resid  12 and name HG2# ) (resid  46 and name  HE# )  3.0  1.2  0.8 !   D.133  at -1.07e+06
assign (resid  12 and name HG2# ) (resid  46 and name  HD# )  3.0  1.2  0.8 !   D.597  at -1.26e+06
assign (resid  12 and name HG2# ) (resid  46 and name  HB# )  4.0  2.2  1.5 !   D.587  at 6.89e+05
assign (resid  12 and name   HN ) (resid  46 and name  HE# )  3.0  1.2  0.5 !   A.402  at 2.37e+06
assign (resid  12 and name   HN ) (resid  46 and name   HZ )  4.0  2.2  1.0 !   A.2054 at 1.87e+06
assign (resid  12 and name   HB ) (resid  46 and name  HD# )  4.0  2.2  2.0 !   C.567  at -3.41e+05
assign (resid  12 and name   HB ) (resid  46 and name  HE# )  4.0  2.2  2.0 !   C.568  at -8.30e+05
assign (resid  12 and name   HA ) (resid  46 and name  HE# )  4.0  2.2  1.0 !   C.559  at -1.29e+06
assign (resid  12 and name   HN ) (resid  75 and name   HG )  4.0  2.2  2.0 !   A.1758 at 4.82e+05

! 13
assign (resid  13 and name  HB# ) (resid  13 and name   HN )  2.5  0.7  0.4 !   A.1235 at 9.38e+06
assign (resid  13 and name HD2# ) (resid  13 and name   HN )  4.0  2.2  1.0 !   A.217  at 1.50e+06
assign (resid  13 and name  HB# ) (resid  13 and name HD2# )  2.5  0.7  0.2 !   A.1893 at 4.76e+06
assign (resid  13 and name   HA ) (resid  13 and name HD2# )  4.0  2.2  1.0 !   A.1883 at 1.17e+06
assign (resid  13 and name   HN ) (resid  14 and name   HN )  2.5  0.7  0.4 !   A.220  at 8.65e+06
assign (resid  13 and name  HB# ) (resid  14 and name   HN )  3.0  1.2  0.5 !   A.1408 at 2.19e+06
assign (resid  13 and name   HA ) (resid  14 and name   HN )  3.0  1.2  0.5 !   A.1402 at 2.64e+06
assign (resid  13 and name   HN ) (resid  14 and name HD2# )  4.0  2.2  2.0 !   A.324  at 5.45e+05
assign (resid  13 and name  HB# ) (resid  14 and name HD2# )  4.0  2.2  1.0 !   A.2046 at 1.34e+06
assign (resid  13 and name   HA ) (resid  15 and name   HN )  4.0  2.2  1.0 !   A.1066 at 1.92e+06
!assign (resid  13 and name   HN ) (resid  15 and name   HN )  3.0  1.2  0.5 !   A.218  at 2.17e+06
assign (resid  13 and name   HN ) (resid  75 and name   HG )  4.0  2.2  2.0 !   A.1245 at 3.42e+05

! 14
assign (resid  14 and name HD2# ) (resid  14 and name   HN )  2.5  0.7  0.4 !   A.277  at 9.72e+06
assign (resid  14 and name  HB# ) (resid  14 and name   HN )  2.5  0.7  0.4 !   A.1409 at 5.09e+06
assign (resid  14 and name   HA ) (resid  14 and name HD2# )  4.0  2.2  1.0 !   A.1550 at 1.17e+06
assign (resid  14 and name  HB# ) (resid  14 and name HD2# )  3.0  1.2  0.3 !   A.1559 at 3.29e+06
assign (resid  14 and name  HB# ) (resid  15 and name   HN )  3.0  1.2  0.5 !   A.1068 at 2.07e+06
assign (resid  14 and name   HA ) (resid  15 and name   HN )  3.0  1.2  0.5 !* A.1067 at 5.30e+06
assign (resid  14 and name   HN ) (resid  15 and name   HN )  2.5  0.7  0.4 !   A.158  at 1.40e+07
assign (resid  14 and name   HN ) (resid  15 and name   HB )  4.0  2.2  1.0 !   A.1411 at 1.66e+06
assign (resid  14 and name   HN ) (resid  15 and name HD1# )  4.0  2.2  2.5 !* A.1414 at 1.11e+06
assign (resid  14 and name   HN ) (resid  15 and name HG1# )  4.0  2.2  1.0 !   A.1410 at 1.35e+06
assign (resid  14 and name  HB# ) (resid  15 and name HD1# )  4.0  2.2  1.5 !* D.3237 at 1.67e+06
assign (resid  14 and name   HA ) (resid  16 and name HG2# )  4.0  2.2  1.5 !   D.670  at 6.39e+05
assign (resid  14 and name   HN ) (resid  75 and name   HG )  4.0  2.2  1.0 !* A.1415 at 2.23e+06
assign (resid  14 and name HD2# ) (resid  75 and name   HG )  4.0  2.2  2.0 !   A.1564 at 7.96e+05
assign (resid  14 and name  HB# ) (resid  75 and name  HD* )  4.0  2.2  2.5 !   C.397  at 9.13e+05
assign (resid  14 and name  HB# ) (resid  75 and name   HG )  2.5  0.7  0.2 !   C.467  at 5.50e+06
!assign (resid  14 and name   HA ) (resid  75 and name   HG )  4.0  2.2  1.0 !* D.3140 at 1.26e+06

! 15
assign (resid  15 and name   HB ) (resid  15 and name   HN )  2.5  0.7  0.4 !   A.1070 at 7.99e+06
assign (resid  15 and name HD1# ) (resid  15 and name   HN )  3.0  1.2  1.5 !* A.1073 at 4.53e+06
assign (resid  15 and name   HA ) (resid  15 and name HD1# )  2.5  0.7  0.7 !   D.655  at 3.57e+06
assign (resid  15 and name   HA ) (resid  15 and name HG2# )  2.5  0.7  0.7 !   D.654  at 4.05e+06
assign (resid  15 and name   HB ) (resid  15 and name HD1# )  2.5  0.7  0.7 !   D.652  at 2.98e+06
assign (resid  15 and name HG1# ) (resid  15 and name   HA )  4.0  2.2  1.0 !   D.647  at 8.14e+05
assign (resid  15 and name HG1# ) (resid  15 and name   HN )  3.0  1.2  0.5 !   A.1069 at 3.40e+06
assign (resid  15 and name   HN ) (resid  16 and name   HN )  4.0  2.2  1.0 !   A.160  at 1.42e+06
assign (resid  15 and name HD1# ) (resid  16 and name   HN )  3.0  1.2  1.0 !   A.1127 at 3.83e+06
assign (resid  15 and name   HB ) (resid  16 and name   HN )  4.0  2.2  2.0 !   A.1125 at 9.65e+05
assign (resid  15 and name HG1# ) (resid  16 and name   HN )  4.0  2.2  1.0 !   A.1124 at 1.30e+06
!assign (resid  15 and name HD1# ) (resid  17 and name  HD* )  3.0  1.2  1.3 !   D.623  at 1.02e+06
!assign (resid  15 and name HD1# ) (resid  17 and name   HA )  3.0  1.2  0.8 !   D.615  at 1.19e+06
assign (resid  15 and name HD1# ) (resid  18 and name   HN )  4.0  2.2  2.5 !   A.1295 at 4.73e+05
assign (resid  15 and name HD1# ) (resid  19 and name  HB# )  2.5  0.7  0.7 !   D.610  at 2.21e+06
assign (resid  15 and name HD1# ) (resid  19 and name   HN )  3.0  1.2  1.5 !* A.2055 at 4.71e+06
assign (resid  15 and name HG2# ) (resid  19 and name  HB# )  4.0  2.2  2.5 !   D.609  at 4.72e+05
assign (resid  15 and name HG2# ) (resid  20 and name   HA )  4.0  2.2  1.5 !   D.713  at 6.60e+05
assign (resid  15 and name HD1# ) (resid  20 and name   HA )  2.5  0.7  0.7 !   D.614  at 3.32e+06
assign (resid  15 and name HD1# ) (resid  20 and name  HB# )  4.0  2.2  1.5 !   D.719  at 7.84e+05
assign (resid  15 and name HG1# ) (resid  20 and name  HD* )  2.5  0.7  0.7 !   D.2050 at 2.62e+06
assign (resid  15 and name HD1# ) (resid  20 and name  HD* )  3.0  1.2  1.3 !   D.2051 at 1.77e+06
assign (resid  15 and name HG2# ) (resid  20 and name  HD* )  3.0  1.2  1.3 !* D.2052 at 2.87e+06
assign (resid  15 and name HD1# ) (resid  20 and name   HN )  2.5  0.7  0.9 !   A.1022 at 4.82e+06
assign (resid  15 and name HD1# ) (resid  21 and name   HN )  4.0  2.2  2.5 !   A.1500 at 8.69e+05
assign (resid  15 and name HD1# ) (resid  22 and name   HN )  4.0  2.2  1.5 !   A.2011 at 1.23e+06
assign (resid  15 and name HD1# ) (resid  23 and name  HB# )  3.0  1.2  0.8 !   D.620  at 1.11e+06
assign (resid  15 and name HG1# ) (resid  23 and name  HD* )  4.0  2.2  1.5 !   C.375  at 1.89e+06
!assign (resid  15 and name HG2# ) (resid  23 and name  HD* )  2.5  0.7  1.2 !   D.825  at 4.10e+06
assign (resid  15 and name HD1# ) (resid  23 and name  HD* )  2.5  0.7  1.2 !   D.826  at 4.27e+06
!assign (resid  15 and name HD1# ) (resid  23 and name   HG )  2.5  0.7  0.7 !   D.622  at 7.09e+06
assign (resid  15 and name   HN ) (resid  23 and name  HD* )  4.0  2.2  2.5 !   A.1075 at 6.22e+05
assign (resid  15 and name HD1# ) (resid  42 and name  HA# )  3.0  1.2  0.8 !   D.619  at 1.78e+06
assign (resid  15 and name HG2# ) (resid  42 and name  HA# )  3.0  1.2  0.8 !   D.642  at 1.53e+06
assign (resid  15 and name HD1# ) (resid  42 and name   HN )  4.0  2.2  2.5 !   A.1930 at 6.59e+05
assign (resid  15 and name HD1# ) (resid  43 and name   HN )  4.0  2.2  2.5 !   A.1727 at 4.92e+05
assign (resid  15 and name HD1# ) (resid  45 and name  HE3 )  4.0  2.2  1.5 !   B.94   at 5.93e+05
assign (resid  15 and name HG1# ) (resid  46 and name  HE# )  4.0  2.2  2.0 !   C.135  at -7.00e+05
assign (resid  15 and name HG1# ) (resid  46 and name   HZ )  4.0  2.2  2.0 !   C.177  at -5.43e+05
assign (resid  15 and name HD1# ) (resid  46 and name  HE# )  4.0  2.2  2.5 !   D.112  at -4.40e+05
assign (resid  15 and name   HB ) (resid  46 and name  HE# )  4.0  2.2  2.0 !   D.131  at -3.98e+05
assign (resid  15 and name HG1# ) (resid  67 and name  HE# )  4.0  2.2  2.0 !   D.83   at -4.44e+05
assign (resid  15 and name HD1# ) (resid  67 and name  HE# )  4.0  2.2  2.5 !   D.617  at -5.71e+05
!assign (resid  15 and name   HN ) (resid  75 and name   HG )  4.0  2.2  1.0 !* A.1074 at 3.14e+06
assign (resid  15 and name   HN ) (resid  75 and name  HD* )  4.0  2.2  2.5 !   A.1076 at 7.29e+05
assign (resid  15 and name   HA ) (resid  75 and name  HD* )  2.5  0.7  0.7 !   D.3194 at 4.45e+06
!assign (resid  15 and name   HB ) (resid  75 and name  HD* )  3.0  1.2  0.8 !   D.2044 at 1.38e+06
assign (resid  15 and name   HA ) (resid  75 and name   HG )  4.0  2.2  1.0 !   D.3139 at 7.87e+05
assign (resid  15 and name HD1# ) (resid  75 and name   HG )  4.0  2.2  1.5 !* D.2434 at 8.31e+06
!assign (resid  15 and name   HB ) (resid  75 and name   HG )  4.0  2.2  1.0 !   C.546  at 1.43e+06

! 16
assign (resid  16 and name HG2# ) (resid  16 and name   HN )  2.5  0.7  0.9 !   A.1126 at 7.72e+06
assign (resid  16 and name   HB ) (resid  16 and name   HN )  3.0  1.2  0.5 !   A.1130 at 3.02e+06
assign (resid  16 and name   HA ) (resid  16 and name HG2# )  2.5  0.7  0.7 !   D.658  at 1.90e+07
assign (resid  16 and name HG2# ) (resid  17 and name   HN )  2.5  0.7  0.9 !   A.905  at 4.91e+06
assign (resid  16 and name   HN ) (resid  17 and name   HN )  4.0  2.2  2.0 !   A.122  at 1.00e+06
assign (resid  16 and name   HB ) (resid  17 and name   HN )  2.5  0.7  0.4 !   A.894  at 1.24e+07
assign (resid  16 and name   HN ) (resid  18 and name   HN )  4.0  2.2  2.0 !   A.227  at 7.76e+05
assign (resid  16 and name   HB ) (resid  18 and name   HN )  3.0  1.2  0.5 !   A.1226 at 2.60e+06
assign (resid  16 and name HG2# ) (resid  18 and name   HN )  3.0  1.2  1.0 !   A.1241 at 2.60e+06
!assign (resid  16 and name HG2# ) (resid  18 and name  HB# )  3.0  1.2  0.8 !   D.667  at 1.46e+06
assign (resid  16 and name   HN ) (resid  19 and name   HN )  3.0  1.2  0.5 !   A.100  at 2.51e+06
assign (resid  16 and name   HB ) (resid  19 and name   HN )  4.0  2.2  2.0 !   A.792  at 5.75e+05
assign (resid  16 and name   HN ) (resid  19 and name  HB# )  3.0  1.2  0.5 !   A.1132 at 3.88e+06
assign (resid  16 and name   HN ) (resid  19 and name   HA )  4.0  2.2  1.0 !   A.1131 at 1.17e+06
assign (resid  16 and name   HA ) (resid  19 and name  HB# )  4.0  2.2  1.0 !* D.660  at 1.64e+06
assign (resid  16 and name HG2# ) (resid  19 and name   HN )  3.0  1.2  1.0 !   A.797  at 2.11e+06
assign (resid  16 and name HG2# ) (resid  19 and name  HB# )  2.5  0.7  0.7 !   D.666  at 2.19e+06
assign (resid  16 and name   HN ) (resid  20 and name   HN )  4.0  2.2  1.0 !   A.155  at 1.19e+06
assign (resid  16 and name   HB ) (resid  20 and name   HN )  4.0  2.2  2.0 !   A.1004 at 4.42e+05
assign (resid  16 and name   HN ) (resid  23 and name  HD* )  4.0  2.2  2.5 !   A.1984 at 4.40e+05
assign (resid  16 and name   HN ) (resid  75 and name  HD* )  4.0  2.2  2.5 !   A.1129 at 3.78e+05
!assign (resid  16 and name   HN ) (resid  75 and name   HG )  4.0  2.2  2.0 !* A.1128 at 1.07e+06

! 17
assign (resid  17 and name  HB# ) (resid  17 and name   HN )  2.5  0.7  0.4 !   A.903  at 1.32e+07
assign (resid  17 and name   HA ) (resid  17 and name   HG )  3.0  1.2  0.3 !* D.685  at 2.69e+06
assign (resid  17 and name   HA ) (resid  17 and name  HD* )  2.5  0.7  0.7 !   D.684  at 7.59e+06
assign (resid  17 and name  HB# ) (resid  17 and name  HD* )  2.5  0.7  0.7 !   D.682  at 7.45e+06
assign (resid  17 and name   HN ) (resid  18 and name   HN )  2.5  0.7  0.4 !   A.121  at 5.68e+06
assign (resid  17 and name  HD* ) (resid  18 and name   HN )  4.0  2.2  1.5 !   A.1246 at 1.56e+06
assign (resid  17 and name   HA ) (resid  18 and name   HN )  3.0  1.2  0.5 !   A.1228 at 3.58e+06
assign (resid  17 and name  HB# ) (resid  18 and name   HN )  2.5  0.7  0.4 !   A.1240 at 4.86e+06
assign (resid  17 and name  HD* ) (resid  18 and name   HA )  4.0  2.2  1.5 !   D.693  at 7.63e+05
assign (resid  17 and name  HD* ) (resid  18 and name  HG# )  4.0  2.2  1.5 !   D.2745 at 7.18e+05
assign (resid  17 and name   HN ) (resid  19 and name   HN )  4.0  2.2  2.0 !   A.96   at 6.36e+05
assign (resid  17 and name  HD* ) (resid  20 and name   HN )  4.0  2.2  2.5 !   A.1021 at 8.74e+05
!assign (resid  17 and name   HA ) (resid  20 and name   HN )  3.0  1.2  0.5 !   A.1003 at 3.38e+06
assign (resid  17 and name  HB# ) (resid  20 and name   HN )  4.0  2.2  2.0 !   A.1011 at 6.59e+05
assign (resid  17 and name   HA ) (resid  20 and name  HB# )  3.0  1.2  0.3 !   D.717  at 1.02e+06
!assign (resid  17 and name   HA ) (resid  20 and name  HD* )  2.5  0.7  0.7 !   C.383  at 3.85e+06
assign (resid  17 and name   HA ) (resid  20 and name   HA )  4.0  2.2  2.0 !   D.709  at 4.85e+05
assign (resid  17 and name  HD* ) (resid  20 and name  HD* )  2.5  0.7  1.2 !   D.762  at 2.88e+06
assign (resid  17 and name   HA ) (resid  21 and name   HN )  4.0  2.2  1.0 !* A.1490 at 2.06e+06
assign (resid  17 and name  HD* ) (resid  21 and name   HN )  4.0  2.2  1.5 !   A.1499 at 1.06e+06
assign (resid  17 and name  HD* ) (resid  21 and name  HG# )  3.0  1.2  0.8 !   D.2744 at 1.17e+06
assign (resid  17 and name  HB# ) (resid  21 and name   HN )  4.0  2.2  2.0 !   A.1496 at 9.88e+05
assign (resid  17 and name  HD* ) (resid  40 and name   HB )  2.5  0.7  0.7 !   D.3156 at 2.25e+06
assign (resid  17 and name  HD* ) (resid  40 and name   HA )  2.5  0.7  0.7 !   D.1178 at 2.27e+06
assign (resid  17 and name   HG ) (resid  40 and name   HB )  4.0  2.2  2.0 !   D.27   at 4.78e+05
assign (resid  17 and name  HB# ) (resid  40 and name HG2# )  4.0  2.2  2.5 !* D.1191 at 6.18e+05
assign (resid  17 and name  HD* ) (resid  40 and name HG2# )  2.5  0.7  1.2 !   D.1200 at 3.48e+06
assign (resid  17 and name  HD* ) (resid  41 and name   HB )  4.0  2.2  2.5 !   D.1212 at 5.40e+05
assign (resid  17 and name  HD* ) (resid  41 and name   HA )  4.0  1.2  1.5 !* D.1204 at 2.30e+06

! 18
assign (resid  18 and name  HB# ) (resid  18 and name   HN )  2.5  0.7  0.4 !   A.1242 at 1.12e+07
assign (resid  18 and name   HA ) (resid  18 and name  HG# )  2.5  0.7  0.2 !   D.689  at 7.93e+06
assign (resid  18 and name  HB# ) (resid  19 and name   HN )  2.5  0.7  0.4 !   A.796  at 6.16e+06
assign (resid  18 and name   HN ) (resid  19 and name   HN )  2.5  0.7  0.4 !   A.95   at 1.19e+07
assign (resid  18 and name   HA ) (resid  19 and name   HN )  3.0  1.2  0.5 !   A.793  at 3.64e+06
assign (resid  18 and name   HA ) (resid  20 and name  HB# )  4.0  2.2  1.0 !   D.690  at 9.61e+05
assign (resid  18 and name   HN ) (resid  21 and name   HN )  4.0  2.2  2.0 !   A.224  at 5.25e+05
assign (resid  18 and name   HA ) (resid  21 and name   HN )  3.0  1.2  0.5 !   A.1486 at 3.27e+06
assign (resid  18 and name   HA ) (resid  21 and name  HG# )  3.0  1.2  0.3 !   D.691  at 1.81e+06
assign (resid  18 and name   HA ) (resid  22 and name   HN )  4.0  2.2  1.0 !   A.1315 at 1.34e+06

! 19
assign (resid  19 and name  HB# ) (resid  19 and name   HN )  2.5  0.7  0.4 !   A.794  at 4.87e+06
assign (resid  19 and name  HB# ) (resid  20 and name   HN )  3.0  1.2  0.5 !   A.1008 at 2.84e+06
assign (resid  19 and name   HN ) (resid  20 and name   HN )  2.5  0.7  0.4 !   A.154  at 5.36e+06
assign (resid  19 and name   HA ) (resid  20 and name   HN )  3.0  1.2  0.5 !   A.1002 at 2.43e+06
assign (resid  19 and name   HN ) (resid  21 and name   HN )  4.0  2.2  1.0 !   A.93   at 1.01e+06
assign (resid  19 and name   HA ) (resid  21 and name   HN )  4.0  2.2  1.0 !   A.1485 at 1.06e+06
assign (resid  19 and name   HA ) (resid  22 and name   HN )  3.0  1.2  0.5 !   A.1316 at 2.56e+06
assign (resid  19 and name   HA ) (resid  22 and name  HG# )  4.0  2.2  2.0 !* D.797  at 1.84e+06
assign (resid  19 and name   HA ) (resid  22 and name  HB# )  3.0  1.2  0.3 !   D.793  at 1.93e+06
assign (resid  19 and name   HA ) (resid  22 and name HE2# )  4.0  2.2  2.0 !   A.1857 at 4.93e+05
assign (resid  19 and name  HB# ) (resid  22 and name  HB# )  4.0  2.2  2.0 !   D.704  at 5.74e+05
assign (resid  19 and name  HB# ) (resid  23 and name  HD* )  4.0  2.2  2.5 !   C.374  at 8.68e+05
assign (resid  19 and name  HB# ) (resid  23 and name   HG )  4.0  2.2  1.0 !   D.705  at 7.51e+05

! 20
assign (resid  20 and name   HG ) (resid  20 and name   HN )  4.0  1.2  1.0 !* A.1020 at 5.43e+06
assign (resid  20 and name  HD* ) (resid  20 and name   HN )  3.0  1.2  1.0 !   A.1023 at 2.81e+06
assign (resid  20 and name  HB# ) (resid  20 and name   HN )  2.5  0.7  0.4 !   A.1019 at 5.43e+06
assign (resid  20 and name   HA ) (resid  20 and name   HG )  2.5  0.7  0.2 !   D.711  at 2.60e+06
assign (resid  20 and name   HA ) (resid  20 and name  HD* )  2.5  0.7  0.7 !   D.710  at 3.54e+06
assign (resid  20 and name  HB# ) (resid  20 and name  HD* )  2.5  0.7  0.7 !   D.734  at 8.18e+06
assign (resid  20 and name   HN ) (resid  21 and name   HN )  2.5  0.7  0.4 !   A.300  at 5.34e+06
assign (resid  20 and name  HD* ) (resid  21 and name   HN )  4.0  2.2  1.5 !   A.1501 at 1.53e+06
assign (resid  20 and name   HA ) (resid  21 and name   HN )  3.0  1.2  0.5 !   A.1488 at 2.05e+06
assign (resid  20 and name  HB# ) (resid  21 and name   HN )  3.0  1.2  0.5 !   A.1497 at 2.54e+06
assign (resid  20 and name   HG ) (resid  21 and name   HN )  4.0  2.2  1.0 !   A.2118 at 1.47e+06
assign (resid  20 and name   HN ) (resid  22 and name   HN )  4.0  2.2  1.0 !   A.251  at 1.04e+06
assign (resid  20 and name   HA ) (resid  22 and name   HN )  4.0  2.2  1.0 !   A.1313 at 1.02e+06
assign (resid  20 and name  HD* ) (resid  22 and name   HN )  4.0  2.2  1.5 !   A.1327 at 1.42e+06
assign (resid  20 and name  HB# ) (resid  22 and name   HN )  4.0  2.2  2.0 !   A.1323 at 5.47e+05
!assign (resid  20 and name   HG ) (resid  22 and name   HN )  4.0  2.2  2.0 !   A.1346 at 3.06e+05
assign (resid  20 and name   HA ) (resid  23 and name   HN )  3.0  1.2  0.5 !   A.837  at 2.01e+06
assign (resid  20 and name  HD* ) (resid  23 and name   HN )  3.0  1.2  1.0 !* A.841  at 4.80e+06
assign (resid  20 and name   HA ) (resid  23 and name  HB# )  3.0  1.2  0.3 !   D.707  at 1.11e+06
assign (resid  20 and name  HD* ) (resid  23 and name  HB# )  3.0  1.2  0.8 !   D.754  at 1.98e+06
assign (resid  20 and name   HA ) (resid  23 and name  HD* )  2.5  0.7  0.7 !   C.371  at 3.70e+06
assign (resid  20 and name  HB# ) (resid  23 and name  HD* )  3.0  1.2  0.8 !* D.830  at 2.36e+06
!assign (resid  20 and name  HD* ) (resid  23 and name   HG )  2.5  0.7  0.7 !   C.451  at 3.94e+06
assign (resid  20 and name   HA ) (resid  24 and name   HN )  4.0  2.2  1.0 !   A.1583 at 1.33e+06
assign (resid  20 and name  HD* ) (resid  24 and name   HN )  3.0  1.2  1.0 !   A.1599 at 3.38e+06
assign (resid  20 and name  HD* ) (resid  24 and name  HD# )  3.0  1.2  0.8 !   C.396  at 2.57e+06
assign (resid  20 and name  HD* ) (resid  24 and name  HG# )  2.5  0.7  0.7 !   C.452  at 9.47e+06
assign (resid  20 and name  HB# ) (resid  24 and name  HG# )  3.0  1.2  0.3 !   D.843  at 1.61e+06
assign (resid  20 and name  HD* ) (resid  24 and name  HB# )  4.0  2.2  1.5 !   D.757  at 6.62e+05
assign (resid  20 and name  HD* ) (resid  39 and name   HB )  4.0  2.2  1.5 !   D.1117 at 6.73e+05
assign (resid  20 and name  HD* ) (resid  39 and name HG2# )  2.5  0.7  1.2 !   D.1140 at 3.78e+06
!assign (resid  20 and name  HB# ) (resid  39 and name HG2# )  2.5  0.7  0.7 !   D.1144 at 3.68e+06
assign (resid  20 and name  HD* ) (resid  39 and name HD1# )  2.5  0.7  1.2 !   D.1165 at 3.03e+06
!assign (resid  20 and name  HB# ) (resid  39 and name HG1# )  4.0  2.2  2.0 !* D.725  at 7.23e+05
!assign (resid  20 and name  HD* ) (resid  39 and name   HA )  3.0  1.2  0.8 !   D.750  at 1.11e+06
assign (resid  20 and name  HB# ) (resid  39 and name   HB )  4.0  2.2  2.0 !* D.3362 at 1.18e+06
assign (resid  20 and name  HD* ) (resid  40 and name   HB )  4.0  2.2  1.5 !* D.731  at 1.18e+06
!assign (resid  20 and name  HD* ) (resid  40 and name   HA )  2.5  0.7  0.7 !   D.1179 at 3.06e+06
!assign (resid  20 and name  HD* ) (resid  40 and name HG2# )  3.0  1.2  1.5 !* D.3342 at 2.86e+06
assign (resid  20 and name  HD* ) (resid  41 and name   HN )  2.5  0.7  0.9 !   A.1943 at 4.48e+06
!assign (resid  20 and name  HD* ) (resid  41 and name   HB )  3.0  1.2  0.8 !   D.732  at 1.61e+06
assign (resid  20 and name  HD* ) (resid  41 and name   HA )  2.5  0.7  0.7 !   D.3364 at 3.12e+06
assign (resid  20 and name  HD* ) (resid  42 and name   HN )  4.0  2.2  1.5 !   A.1932 at 1.22e+06
assign (resid  20 and name  HD* ) (resid  42 and name  HA# )  2.5  0.7  0.7 !   D.752  at 4.44e+06
assign (resid  20 and name  HD* ) (resid  43 and name   HN )  4.0  2.2  2.5 !   A.1728 at 5.17e+05
assign (resid  20 and name  HD* ) (resid  44 and name  HB# )  3.0  1.2  1.3 !   D.742  at 1.25e+06
assign (resid  20 and name  HD* ) (resid  44 and name   HN )  4.0  2.2  2.5 !   A.624  at 3.76e+05
assign (resid  20 and name  HD* ) (resid  45 and name  HZ3 )  3.0  1.2  0.8 !   D.1325 at -1.31e+06
assign (resid  20 and name  HD* ) (resid  45 and name   HN )  3.0  1.2  1.0 !   A.688  at 2.05e+06
assign (resid  20 and name  HD* ) (resid  45 and name  HB# )  2.5  0.7  0.7 !   C.449  at 4.15e+06
assign (resid  20 and name  HD* ) (resid  45 and name   HA )  4.0  2.2  1.5 !   C.447  at 1.53e+06
assign (resid  20 and name  HD* ) (resid  45 and name  HD1 )  4.0  2.2  1.5 !   C.441  at 1.33e+06
assign (resid  20 and name  HD* ) (resid  45 and name  HE3 )  3.0  1.2  0.8 !   D.1299 at -1.10e+06
assign (resid  20 and name  HD* ) (resid  46 and name   HN )  4.0  2.2  1.5 !   A.1535 at 1.24e+06
assign (resid  20 and name  HD* ) (resid  46 and name   HZ )  4.0  2.2  2.5 !   C.174  at -4.47e+05
assign (resid  20 and name  HD* ) (resid  67 and name  HE# )  3.0  1.2  0.8 !   D.59   at -1.38e+06

! 21
assign (resid  21 and name  HB# ) (resid  21 and name   HN )  2.5  0.7  0.4 !   A.1494 at 1.60e+07
assign (resid  21 and name  HG# ) (resid  21 and name   HN )  2.5  0.7  0.4 !   A.1489 at 1.19e+07
assign (resid  21 and name   HA ) (resid  21 and name  HG# )  2.5  0.7  0.2 !   D.772  at 3.62e+06
assign (resid  21 and name   HN ) (resid  22 and name   HN )  2.5  0.7  0.4 !   A.248  at 6.89e+06
assign (resid  21 and name  HG# ) (resid  22 and name   HN )  4.0  2.2  1.0 !* A.1321 at 3.43e+06
assign (resid  21 and name  HB# ) (resid  22 and name   HN )  2.5  0.7  0.4 !   A.1318 at 8.05e+06
assign (resid  21 and name   HA ) (resid  22 and name   HN )  3.0  1.2  0.5 !   A.1312 at 2.90e+06
assign (resid  21 and name   HN ) (resid  23 and name   HN )  4.0  2.2  1.0 !   A.301  at 1.58e+06
assign (resid  21 and name   HA ) (resid  24 and name  HB# )  3.0  1.2  0.3 !   D.774  at 1.27e+06
!assign (resid  21 and name  HB# ) (resid  24 and name  HB# )  3.0  1.2  0.3 !   D.782  at 1.23e+06
!assign (resid  21 and name   HA ) (resid  24 and name  HG# )  3.0  1.2  0.3 !   D.777  at 1.40e+06
assign (resid  21 and name  HB# ) (resid  25 and name   HN )  4.0  2.2  2.0 !   A.1575 at 8.11e+05
assign (resid  21 and name   HA ) (resid  39 and name HD1# )  4.0  2.2  2.5 !   D.776  at 5.19e+05

! 22
assign (resid  22 and name  HB# ) (resid  22 and name   HN )  2.5  0.7  0.4 !   A.1319 at 1.60e+07
assign (resid  22 and name  HG# ) (resid  22 and name   HN )  4.0  2.2  1.0 !* A.1320 at 7.46e+06
assign (resid  22 and name  HB# ) (resid  22 and name HE2# )  4.0  2.2  2.0 !   A.1866 at 7.99e+05
assign (resid  22 and name   HA ) (resid  22 and name HE2# )  4.0  2.2  2.0 !   A.1858 at 5.34e+05
assign (resid  22 and name  HG# ) (resid  22 and name HE2# )  3.0  1.2  0.3 !   A.1867 at 2.84e+06
assign (resid  22 and name   HA ) (resid  22 and name  HG# )  2.5  0.7  0.2 !   D.787  at 5.65e+06
assign (resid  22 and name  HB# ) (resid  23 and name   HN )  2.5  0.7  0.4 !   A.846  at 5.12e+06
assign (resid  22 and name   HN ) (resid  23 and name   HN )  2.5  0.7  0.4 !   A.102  at 5.65e+06
assign (resid  22 and name  HG# ) (resid  23 and name   HN )  4.0  2.2  1.0 !* A.847  at 3.86e+06
assign (resid  22 and name   HA ) (resid  23 and name   HN )  3.0  1.2  0.5 !   A.839  at 2.42e+06
assign (resid  22 and name   HN ) (resid  23 and name  HD* )  4.0  2.2  1.5 !   A.1326 at 1.58e+06
assign (resid  22 and name HE2# ) (resid  23 and name   HA )  4.0  2.2  2.0 !   A.1861 at 3.20e+05
assign (resid  22 and name  HG# ) (resid  23 and name   HA )  4.0  2.2  2.0 !   D.809  at 4.39e+05
assign (resid  22 and name  HB# ) (resid  23 and name   HA )  4.0  2.2  2.0 !   D.808  at 5.91e+05
assign (resid  22 and name  HB# ) (resid  23 and name  HD* )  3.0  1.2  0.8 !   D.831  at 1.80e+06
assign (resid  22 and name   HN ) (resid  23 and name   HG )  4.0  2.2  1.0 !* A.1988 at 2.83e+06
assign (resid  22 and name HE2# ) (resid  23 and name  HD* )  4.0  2.2  2.5 !   A.1853 at 5.56e+05
assign (resid  22 and name  HG# ) (resid  23 and name  HD* )  4.0  2.2  2.5 !   D.801  at 9.93e+05
!assign (resid  22 and name   HN ) (resid  24 and name   HN )  3.0  1.2  0.5 !   A.331  at 2.40e+06
assign (resid  22 and name   HA ) (resid  25 and name  HB# )  2.5  0.7  0.2 !   D.852  at 4.78e+06
assign (resid  22 and name  HB# ) (resid  25 and name   HN )  4.0  2.2  1.0 !   A.2047 at 1.29e+06
assign (resid  22 and name  HG# ) (resid  25 and name  HB# )  3.0  1.2  0.3 !   D.798  at 1.45e+06
assign (resid  22 and name  HB# ) (resid  26 and name   HN )  4.0  2.2  2.0 !   A.640  at 4.00e+05
assign (resid  22 and name  HG# ) (resid  26 and name  HB# )  4.0  2.2  1.5 !   D.800  at 7.44e+05
assign (resid  22 and name  HB# ) (resid  66 and name HG2# )  4.0  2.2  2.5 !* D.1838 at 1.03e+06
assign (resid  22 and name   HN ) (resid  66 and name HG2# )  4.0  2.2  2.5 !* A.1324 at 1.28e+06
assign (resid  22 and name  HB# ) (resid  70 and name  HB# )  4.0  2.2  1.0 !* D.792  at 1.10e+06
assign (resid  22 and name HE2# ) (resid  70 and name   HA )  4.0  2.2  2.0 !   A.1856 at 4.33e+05
assign (resid  22 and name  HG# ) (resid  70 and name  HB# )  4.0  2.2  1.0 !   D.3215 at 9.87e+05
assign (resid  22 and name HE2# ) (resid  71 and name  HB# )  4.0  2.2  2.0 !   A.1864 at 4.85e+05
assign (resid  22 and name HE2# ) (resid  71 and name  HG# )  4.0  2.2  2.0 !   A.1865 at 6.50e+05

! 23
assign (resid  23 and name  HB# ) (resid  23 and name   HN )  4.0  2.2  2.0 !   A.844  at 6.60e+05
assign (resid  23 and name   HG ) (resid  23 and name   HN )  2.5  0.7  0.4 !   A.845  at 8.18e+06
assign (resid  23 and name  HD* ) (resid  23 and name   HN )  2.5  0.7  0.9 !   A.840  at 5.72e+06
assign (resid  23 and name   HA ) (resid  23 and name   HG )  3.0  1.2  0.3 !   D.806  at 1.97e+06
assign (resid  23 and name   HA ) (resid  23 and name  HD* )  2.5  0.7  0.7 !   D.805  at 5.04e+06
assign (resid  23 and name  HD* ) (resid  23 and name  HB# )  2.5  0.7  0.7 !   D.824  at 3.24e+06
assign (resid  23 and name   HN ) (resid  24 and name   HN )  2.5  0.7  0.4 !   A.103  at 8.81e+06
assign (resid  23 and name  HD* ) (resid  24 and name   HN )  3.0  1.2  1.0 !   A.1596 at 2.27e+06
assign (resid  23 and name  HD* ) (resid  25 and name   HN )  4.0  2.2  2.5 !   A.1574 at 4.68e+05
assign (resid  23 and name   HA ) (resid  26 and name   HN )  3.0  1.2  0.5 !   A.654  at 2.75e+06
assign (resid  23 and name  HB# ) (resid  26 and name   HN )  4.0  2.2  2.0 !   A.642  at 5.20e+05
assign (resid  23 and name  HD* ) (resid  26 and name   HN )  4.0  2.2  1.5 !   A.2026 at 1.17e+06
assign (resid  23 and name   HA ) (resid  26 and name  HB# )  2.5  0.7  0.7 !   D.804  at 3.77e+06
assign (resid  23 and name  HB# ) (resid  26 and name  HB# )  4.0  2.2  1.5 !   D.3112 at 7.28e+05
assign (resid  23 and name  HD* ) (resid  26 and name  HB# )  2.5  0.7  1.2 !   D.3116 at 2.36e+06
assign (resid  23 and name  HD* ) (resid  27 and name   HN )  4.0  2.2  1.5 !   A.1812 at 1.41e+06
assign (resid  23 and name  HB# ) (resid  27 and name   HN )  4.0  2.2  2.0 !   A.1805 at 7.50e+05
assign (resid  23 and name  HD* ) (resid  45 and name  HZ3 )  3.0  1.2  0.8 !   C.225  at -2.18e+06
assign (resid  23 and name  HD* ) (resid  45 and name  HE3 )  4.0  2.2  1.5 !   B.49   at 5.46e+05
assign (resid  23 and name  HB# ) (resid  45 and name  HZ2 )  4.0  2.2  2.0 !   D.1313 at -5.87e+05
assign (resid  23 and name  HD* ) (resid  45 and name  HZ2 )  4.0  2.2  1.5 !   C.2    at 1.29e+06
assign (resid  23 and name  HD* ) (resid  45 and name  HH2 )  4.0  2.2  1.5 !   D.1323 at -6.49e+05
assign (resid  23 and name  HD* ) (resid  46 and name   HZ )  4.0  2.2  2.5 !   C.168  at -4.52e+05
assign (resid  23 and name  HD* ) (resid  66 and name HD1# )  3.0  1.2  1.3 !   D.1871 at -1.10e+06
assign (resid  23 and name  HD* ) (resid  66 and name   HA )  4.0  2.2  2.5 !   D.1818 at 4.39e+05
assign (resid  23 and name   HA ) (resid  66 and name HD1# )  4.0  2.2  2.5 !   D.812  at -4.62e+05
assign (resid  23 and name  HD* ) (resid  66 and name HG2# )  2.5  0.7  1.2 !   D.1852 at 6.69e+06
assign (resid  23 and name  HB# ) (resid  66 and name HG2# )  3.0  1.2  0.8 !   D.1850 at 1.43e+06
assign (resid  23 and name   HG ) (resid  66 and name HG2# )  3.0  1.2  0.8 !* D.1853 at 2.74e+06
!assign (resid  23 and name   HN ) (resid  66 and name HG2# )  3.0  1.2  1.0 !* A.842  at 4.01e+06
!assign (resid  23 and name  HD* ) (resid  67 and name   HZ )  2.5  0.7  0.7 !   C.181  at -3.35e+06
assign (resid  23 and name  HD* ) (resid  67 and name  HE# )  2.5  0.7  0.7 !   C.113  at -5.16e+06
assign (resid  23 and name  HD* ) (resid  67 and name  HD# )  2.5  0.7  0.7 !   C.145  at -3.48e+06
assign (resid  23 and name  HD* ) (resid  67 and name  HB# )  3.0  1.2  0.8 !   D.3523 at 1.13e+06
assign (resid  23 and name   HA ) (resid  69 and name HD1# )  4.0  2.2  2.5 !   D.807  at 4.45e+05
assign (resid  23 and name  HD* ) (resid  70 and name  HB# )  3.0  1.2  0.8 !   D.1967 at 1.42e+06
!assign (resid  23 and name  HD* ) (resid  70 and name   HA )  3.0  1.2  0.8 !   D.1795 at 1.08e+06
assign (resid  23 and name  HD* ) (resid  75 and name   HG )  4.0  2.2  1.5 !* D.828  at 1.39e+06

! 24
assign (resid  24 and name  HB# ) (resid  24 and name   HN )  2.5  0.7  0.4 !   A.1593 at 9.30e+06
assign (resid  24 and name  HG# ) (resid  24 and name   HN )  2.5  0.7  0.4 !   A.1594 at 4.54e+06
assign (resid  24 and name   HA ) (resid  24 and name  HG# )  3.0  1.2  0.3 !* D.833  at 2.97e+06
assign (resid  24 and name   HA ) (resid  24 and name  HD# )  4.0  2.2  1.0 !* D.3192 at 2.41e+06
assign (resid  24 and name   HN ) (resid  25 and name   HN )  2.5  0.7  0.4 !   A.322  at 6.54e+06
assign (resid  24 and name   HA ) (resid  25 and name   HN )  3.0  1.2  0.5 !   A.1570 at 2.92e+06
assign (resid  24 and name  HG# ) (resid  25 and name   HN )  4.0  2.2  1.0 !   A.1572 at 1.34e+06
assign (resid  24 and name   HN ) (resid  26 and name   HN )  4.0  2.2  2.0 !   A.43   at 9.50e+05
assign (resid  24 and name   HN ) (resid  27 and name   HN )  4.0  2.2  2.0 !   A.413  at 5.78e+05
assign (resid  24 and name   HA ) (resid  27 and name   HN )  4.0  2.2  1.0 !   A.1796 at 1.78e+06
!assign (resid  24 and name   HA ) (resid  31 and name HG2# )  2.5  0.7  0.7 !   D.637  at 3.08e+06
assign (resid  24 and name  HB# ) (resid  31 and name HG2# )  3.0  1.2  0.8 !   D.962  at 1.89e+06
assign (resid  24 and name   HA ) (resid  31 and name   HB )  4.0  2.2  2.0 !   D.3063 at 5.94e+05
assign (resid  24 and name  HD# ) (resid  31 and name HD1# )  4.0  2.2  2.5 !   D.978  at 1.00e+06
assign (resid  24 and name   HA ) (resid  39 and name HG2# )  4.0  2.2  2.5 !   D.834  at 5.11e+05
assign (resid  24 and name  HD# ) (resid  39 and name   HB )  3.0  1.2  0.3 !   D.3517 at 1.11e+06
assign (resid  24 and name   HA ) (resid  45 and name  HE1 )  4.0  2.2  1.0 !* A.511  at 5.68e+06
assign (resid  24 and name  HG# ) (resid  45 and name  HD1 )  4.0  2.2  1.0 !   C.191  at -1.32e+06
!assign (resid  24 and name   HN ) (resid  66 and name HG2# )  3.0  1.2  1.0 !* A.1595 at 7.07e+06

! 25
assign (resid  25 and name  HB# ) (resid  25 and name   HN )  2.5  0.7  0.4 !   A.1603 at 1.64e+07
assign (resid  25 and name  HB# ) (resid  26 and name   HN )  2.5  0.7  0.4 !   A.653  at 7.25e+06
assign (resid  25 and name  HB# ) (resid  26 and name   HA )  4.0  2.2  1.0 !* D.856  at 1.25e+06
assign (resid  25 and name   HN ) (resid  27 and name   HN )  3.0  1.2  0.5 !   A.422  at 2.52e+06
assign (resid  25 and name  HB# ) (resid  27 and name   HN )  4.0  2.2  1.0 !* A.1795 at 3.42e+06
assign (resid  25 and name   HA ) (resid  28 and name   HN )  3.0  1.2  0.5 !* A.2042 at 4.97e+06
assign (resid  25 and name   HA ) (resid  28 and name  HD# )  4.0  2.2  1.0 !* D.3200 at 1.63e+06
assign (resid  25 and name   HN ) (resid  66 and name HG2# )  4.0  2.2  2.5 !* A.1573 at 2.26e+06

! 26
assign (resid  26 and name  HB# ) (resid  26 and name   HN )  2.5  0.7  0.9 !   A.641  at 1.70e+07
assign (resid  26 and name   HN ) (resid  27 and name   HN )  2.5  0.7  0.4 !   A.42   at 7.82e+06
assign (resid  26 and name  HB# ) (resid  27 and name   HN )  2.5  0.7  0.9 !   A.1807 at 6.20e+06
assign (resid  26 and name   HA ) (resid  27 and name   HN )  3.0  1.2  0.5 !   A.1794 at 3.70e+06
assign (resid  26 and name  HB# ) (resid  27 and name   HA )  3.0  1.2  0.8 !   D.866  at 1.75e+06
assign (resid  26 and name   HA ) (resid  27 and name   HA )  4.0  2.2  2.0 !   D.211  at 5.17e+05
assign (resid  26 and name  HB# ) (resid  27 and name  HB# )  4.0  2.2  1.5 !   D.3113 at 8.88e+05
!assign (resid  26 and name   HN ) (resid  28 and name   HN )  3.0  1.2  0.5 !* A.44   at 3.81e+07
assign (resid  26 and name   HA ) (resid  28 and name  HB# )  4.0  2.2  1.0 !   D.214  at 9.13e+05
assign (resid  26 and name   HA ) (resid  28 and name  HG# )  4.0  2.2  1.0 !   D.904  at 8.18e+05
assign (resid  26 and name  HB# ) (resid  28 and name  HG# )  4.0  2.2  1.5 !   D.3118 at 9.43e+05
!assign (resid  26 and name  HB# ) (resid  29 and name  HG# )  4.0  2.2  1.5 !   D.1100 at 6.13e+05
assign (resid  26 and name  HB# ) (resid  45 and name  HZ2 )  4.0  2.2  2.5 !   C.14   at 9.97e+05
assign (resid  26 and name   HA ) (resid  66 and name HG2# )  4.0  2.2  1.5 !   D.1847 at 9.84e+05
assign (resid  26 and name   HN ) (resid  66 and name HG2# )  4.0  2.2  1.5 !   A.643  at 1.74e+06
assign (resid  26 and name   HN ) (resid  66 and name HD1# )  4.0  2.2  1.5 !   A.645  at 1.18e+06
assign (resid  26 and name  HB# ) (resid  66 and name   HN )  4.0  2.2  2.5 !   A.1387 at 7.28e+05
assign (resid  26 and name  HB# ) (resid  66 and name HD1# )  2.5  0.7  1.2 !   C.346  at -1.12e+07
assign (resid  26 and name   HA ) (resid  66 and name HD1# )  4.0  2.2  1.5 !* D.1858 at -1.63e+06
assign (resid  26 and name  HB# ) (resid  66 and name   HB )  4.0  2.2  1.5 !   D.3110 at 6.76e+05
assign (resid  26 and name  HB# ) (resid  66 and name   HA )  2.5  0.7  0.7 !   D.3126 at 2.37e+06
assign (resid  26 and name  HB# ) (resid  69 and name HD1# )  2.5  0.7  1.2 !   D.1959 at 9.64e+06
assign (resid  26 and name   HA ) (resid  69 and name HD1# )  2.5  0.7  0.7 !   D.1955 at 2.29e+06
assign (resid  26 and name   HN ) (resid  69 and name HD1# )  4.0  2.2  1.5 !   A.2027 at 1.17e+06
assign (resid  26 and name  HB# ) (resid  69 and name   HN )  4.0  2.2  2.5 !   A.1475 at 9.96e+05
assign (resid  26 and name  HB# ) (resid  69 and name   HA )  4.0  2.2  1.5 !   D.3323 at 6.18e+05
assign (resid  26 and name  HB# ) (resid  69 and name HG1# )  2.5  0.7  0.7 !   D.1947 at 2.76e+06
assign (resid  26 and name  HB# ) (resid  69 and name   HB )  3.0  1.2  0.8 !   D.3111 at 1.17e+06
assign (resid  26 and name  HB# ) (resid  70 and name   HN )  3.0  1.2  1.0 !   A.1995 at 2.12e+06
assign (resid  26 and name  HB# ) (resid  70 and name   HA )  3.0  1.2  0.8 !   D.1792 at 1.09e+06
assign (resid  26 and name  HB# ) (resid  70 and name  HB# )  3.0  1.2  0.8 !   D.3127 at 1.83e+06

! 27
assign (resid  27 and name  HB# ) (resid  27 and name   HN )  2.5  0.7  0.4 !   A.1800 at 4.26e+06
assign (resid  27 and name   HN ) (resid  28 and name   HN )  2.5  0.7  0.4 !   A.260  at 9.62e+06
assign (resid  27 and name   HA ) (resid  28 and name   HN )  3.0  1.2  0.5 !* A.1348 at 4.74e+06
assign (resid  27 and name  HB# ) (resid  28 and name   HN )  4.0  2.2  1.0 !   A.1351 at 1.44e+06
assign (resid  27 and name  HB# ) (resid  30 and name   HN )  3.0  1.2  0.5 !   A.1454 at 2.09e+06
assign (resid  27 and name   HA ) (resid  30 and name  HB# )  3.0  1.2  0.3 !   D.3231 at 1.63e+06
assign (resid  27 and name  HB# ) (resid  30 and name  HB# )  3.0  1.2  0.3 !   D.877  at 1.07e+06
assign (resid  27 and name  HB# ) (resid  31 and name   HN )  4.0  2.2  1.0 !   A.1514 at 1.42e+06
assign (resid  27 and name  HB# ) (resid  31 and name   HB )  4.0  2.2  1.0 !   D.868  at 6.38e+05
assign (resid  27 and name  HB# ) (resid  31 and name HG1# )  4.0  2.2  1.0 !* D.882  at 1.16e+06
assign (resid  27 and name   HN ) (resid  31 and name   HB )  4.0  2.2  2.0 !   A.1808 at 6.35e+05
assign (resid  27 and name   HA ) (resid  31 and name HG2# )  3.0  1.2  0.8 !   D.863  at 1.31e+06
assign (resid  27 and name  HB# ) (resid  31 and name HG2# )  2.5  0.7  0.7 !   C.537  at -3.31e+06
assign (resid  27 and name  HB# ) (resid  45 and name  HE1 )  4.0  2.2  2.0 !   A.513  at 8.08e+05
assign (resid  27 and name  HB# ) (resid  49 and name  HD* )  4.0  2.2  2.5 !   D.883  at 4.55e+05
assign (resid  27 and name  HB# ) (resid  62 and name  HE# )  4.0  2.2  1.0 !* D.1697 at -1.30e+06
assign (resid  27 and name   HA ) (resid  66 and name HD1# )  2.5  0.7  0.7 !   D.1861 at -5.01e+06
assign (resid  27 and name  HB# ) (resid  66 and name HD1# )  4.0  2.2  1.5 !   D.874  at -7.33e+05
assign (resid  27 and name   HN ) (resid  66 and name HD1# )  4.0  2.2  1.5 !   A.1813 at 1.95e+06
assign (resid  27 and name   HN ) (resid  66 and name HG2# )  4.0  2.2  2.5 !   A.1811 at 9.84e+05

! 28
assign (resid  28 and name  HD# ) (resid  28 and name   HN )  4.0  2.2  1.0 !* A.1360 at 2.82e+06
assign (resid  28 and name  HB# ) (resid  28 and name   HN )  2.5  0.7  0.4 !   A.1356 at 5.08e+06
assign (resid  28 and name  HG# ) (resid  28 and name   HN )  2.5  0.7  0.4 !   A.1357 at 1.07e+07
assign (resid  28 and name  HE# ) (resid  28 and name   HN )  4.0  2.2  2.0 !   A.1352 at 5.28e+05
assign (resid  28 and name   HA ) (resid  28 and name  HG# )  3.0  1.2  0.3 !* D.892  at 7.75e+06
assign (resid  28 and name  HB# ) (resid  28 and name  HD# )  2.5  0.7  0.2 !   D.894  at 3.63e+06
!assign (resid  28 and name  HD# ) (resid  28 and name   HA )  3.0  1.2  0.3 !* D.908  at 3.20e+06
assign (resid  28 and name   HN ) (resid  29 and name   HN )  3.0  1.2  0.5 !   A.246  at 2.99e+06
assign (resid  28 and name  HB# ) (resid  29 and name   HN )  3.0  1.2  0.5 !* A.1307 at 1.26e+07
assign (resid  28 and name   HA ) (resid  29 and name   HN )  3.0  1.2  0.5 !   A.1293 at 3.88e+06
assign (resid  28 and name  HG# ) (resid  29 and name   HN )  4.0  2.2  1.0 !* A.1309 at 4.05e+06
assign (resid  28 and name  HE# ) (resid  29 and name   HN )  4.0  2.2  2.0 !   A.1302 at 3.47e+05
assign (resid  28 and name  HD# ) (resid  29 and name   HN )  4.0  2.2  1.0 !   A.1308 at 1.79e+06
assign (resid  28 and name   HA ) (resid  30 and name   HN )  4.0  2.2  1.0 !   A.1453 at 1.82e+06
assign (resid  28 and name   HA ) (resid  31 and name   HN )  4.0  2.2  1.0 !   A.1511 at 1.28e+06
assign (resid  28 and name   HA ) (resid  31 and name   HB )  4.0  2.2  2.0 !* D.891  at 8.74e+05
assign (resid  28 and name   HA ) (resid  31 and name HG2# )  4.0  2.2  2.5 !   D.893  at 5.98e+05
assign (resid  28 and name   HA ) (resid  31 and name HD1# )  4.0  2.2  2.5 !   D.1072 at 4.75e+05
assign (resid  28 and name   HN ) (resid  66 and name HD1# )  4.0  2.2  2.5 !   A.1358 at 6.46e+05

! 29
assign (resid  29 and name  HB# ) (resid  29 and name   HN )  2.5  0.7  0.4 !   A.1306 at 1.66e+07
assign (resid  29 and name  HG# ) (resid  29 and name   HN )  2.5  0.7  0.4 !   A.1304 at 4.59e+06
assign (resid  29 and name   HA ) (resid  29 and name  HG# )  2.5  0.7  0.2 !   D.923  at 9.34e+06
assign (resid  29 and name   HN ) (resid  30 and name   HN )  2.5  0.7  0.4 !   A.247  at 6.36e+06
assign (resid  29 and name  HB# ) (resid  30 and name   HN )  2.5  0.7  0.4 !   A.1469 at 4.18e+06
assign (resid  29 and name  HG# ) (resid  30 and name   HN )  4.0  2.2  1.0 !   A.1458 at 1.60e+06
assign (resid  29 and name   HA ) (resid  30 and name   HN )  3.0  1.2  0.5 !* A.1452 at 6.38e+06
assign (resid  29 and name   HN ) (resid  31 and name   HN )  4.0  2.2  1.0 !   A.245  at 1.40e+06
assign (resid  29 and name   HA ) (resid  31 and name   HN )  4.0  2.2  1.0 !* A.1510 at 3.44e+06
assign (resid  29 and name  HG# ) (resid  31 and name   HN )  4.0  2.2  2.0 !   A.1517 at 3.61e+05
assign (resid  29 and name  HB# ) (resid  31 and name   HN )  4.0  2.2  1.0 !   A.1519 at 1.17e+06

! 30
assign (resid  30 and name  HB# ) (resid  30 and name   HN )  2.5  0.7  0.4 !   A.1457 at 7.51e+06
assign (resid  30 and name   HN ) (resid  31 and name   HN )  2.5  0.7  0.4 !   A.290  at 1.46e+07
assign (resid  30 and name  HB# ) (resid  31 and name   HN )  3.0  1.2  0.5 !   A.1516 at 3.01e+06
assign (resid  30 and name   HA ) (resid  31 and name   HN )  3.0  1.2  0.5 !* A.1508 at 5.32e+06
assign (resid  30 and name  HB# ) (resid  31 and name HD1# )  4.0  2.2  1.5 !* D.973  at 1.90e+06
assign (resid  30 and name   HN ) (resid  31 and name HD1# )  4.0  2.2  2.5 !   A.2043 at 4.83e+05
assign (resid  30 and name  HB# ) (resid  31 and name   HB )  4.0  2.2  1.0 !   D.943  at 7.92e+05
assign (resid  30 and name  HB# ) (resid  62 and name  HE# )  2.5  0.7  0.2 !   D.1690 at -3.16e+06
!assign (resid  30 and name  HB# ) (resid  62 and name  HD# )  3.0  1.2  0.3 !   D.1678 at -1.50e+06
assign (resid  30 and name  HB# ) (resid  66 and name HD1# )  4.0  2.2  1.5 !   D.3491 at -7.16e+05

! 31
assign (resid  31 and name HG1# ) (resid  31 and name   HN )  4.0  2.2  1.0 !* A.1521 at 4.19e+06
assign (resid  31 and name HD1# ) (resid  31 and name   HN )  3.0  1.2  1.0 !   A.1523 at 3.15e+06
assign (resid  31 and name   HB ) (resid  31 and name   HN )  2.5  0.7  0.4 !   A.1520 at 8.06e+06
assign (resid  31 and name HG2# ) (resid  31 and name   HN )  2.5  0.7  0.9 !   A.1522 at 5.00e+06
assign (resid  31 and name   HA ) (resid  31 and name HG2# )  2.5  0.7  0.7 !   D.935  at 2.08e+06
assign (resid  31 and name   HA ) (resid  31 and name HG1# )  2.5  0.7  0.2 !   D.937  at 2.69e+06
assign (resid  31 and name   HA ) (resid  31 and name HD1# )  3.0  1.2  0.8 !* D.936  at 4.32e+06
assign (resid  31 and name   HB ) (resid  31 and name HD1# )  2.5  0.7  0.7 !   D.946  at 1.09e+07
assign (resid  31 and name   HN ) (resid  32 and name  HD# )  4.0  2.2  1.0 !   A.1513 at 1.76e+06
assign (resid  31 and name HD1# ) (resid  32 and name   HA )  3.0  1.2  0.8 !* D.968  at 9.00e+06
assign (resid  31 and name   HA ) (resid  32 and name  HD# )  2.5  0.7  0.2 !   D.1016 at 2.74e+06
assign (resid  31 and name HD1# ) (resid  32 and name  HD# )  2.5  0.7  0.7 !   D.972  at 4.11e+06
assign (resid  31 and name   HB ) (resid  32 and name  HD# )  4.0  2.2  1.0 !   D.2937 at 6.16e+05
assign (resid  31 and name   HB ) (resid  32 and name   HA )  4.0  2.2  2.0 !* D.942  at 8.39e+05
assign (resid  31 and name HD1# ) (resid  32 and name  HB# )  4.0  2.2  1.5 !   D.1003 at 8.68e+05
assign (resid  31 and name HG2# ) (resid  32 and name  HD# )  4.0  2.2  1.5 !   D.961  at 7.42e+05
assign (resid  31 and name   HA ) (resid  32 and name  HG# )  4.0  2.2  1.0 !* D.3482 at 2.50e+06
assign (resid  31 and name HG1# ) (resid  32 and name  HD# )  2.5  0.7  0.2 !   D.3501 at 2.86e+06
assign (resid  31 and name HD1# ) (resid  35 and name   HN )  4.0  2.2  2.5 !   A.1446 at 7.42e+05
assign (resid  31 and name HD1# ) (resid  35 and name   HA )  4.0  2.2  1.5 !   D.1038 at 9.31e+05
assign (resid  31 and name HD1# ) (resid  35 and name  HD# )  3.0  1.2  0.8 !* D.980  at 2.67e+06
assign (resid  31 and name HD1# ) (resid  35 and name  HB# )  2.5  0.7  0.7 !   D.977  at 3.48e+06
assign (resid  31 and name HD1# ) (resid  35 and name  HG# )  3.0  1.2  0.8 !   D.981  at 1.96e+06
assign (resid  31 and name HD1# ) (resid  36 and name   HN )  3.0  1.2  1.0 !   A.1713 at 2.73e+06
assign (resid  31 and name HG2# ) (resid  36 and name   HN )  4.0  2.2  2.5 !   A.1711 at 4.48e+05
assign (resid  31 and name HD1# ) (resid  36 and name   HA )  3.0  1.2  0.8 !* C.310  at 9.53e+06
assign (resid  31 and name HG2# ) (resid  36 and name  HB# )  3.0  1.2  0.8 !   D.960  at 1.85e+06
assign (resid  31 and name HD1# ) (resid  36 and name  HB# )  2.5  0.7  0.7 !   D.1448 at 3.01e+06
assign (resid  31 and name HD1# ) (resid  37 and name   HN )  4.0  2.2  2.5 !   A.1363 at 4.92e+05
assign (resid  31 and name HD1# ) (resid  38 and name  HG# )  4.0  2.2  1.5 !   D.976  at 7.33e+05
assign (resid  31 and name HD1# ) (resid  39 and name   HB )  4.0  2.2  1.5 !   D.975  at 6.13e+05
assign (resid  31 and name HD1# ) (resid  39 and name HD1# )  2.5  0.7  1.2 !   D.1166 at 5.82e+06
!assign (resid  31 and name HG1# ) (resid  39 and name HD1# )  2.5  0.7  0.7 !   C.534  at -4.01e+06
assign (resid  31 and name   HA ) (resid  39 and name HD1# )  4.0  2.2  2.5 !   D.1147 at 5.45e+05
assign (resid  31 and name HG2# ) (resid  45 and name  HD1 )  4.0  1.2  1.5 !* D.1303 at -2.71e+06
assign (resid  31 and name HD1# ) (resid  45 and name  HE1 )  4.0  2.2  1.5 !   A.520  at 1.35e+06
assign (resid  31 and name HG2# ) (resid  45 and name  HE1 )  2.5  0.7  0.7 !   A.517  at 1.04e+07
assign (resid  31 and name   HB ) (resid  45 and name  HE1 )  3.0  1.2  0.3 !   A.529  at 3.62e+06
assign (resid  31 and name   HN ) (resid  45 and name  HZ2 )  4.0  2.2  2.0 !* A.309  at 1.27e+06
assign (resid  31 and name HD1# ) (resid  45 and name  HD1 )  2.5  0.7  0.7 !   C.305  at -3.47e+06
assign (resid  31 and name HG1# ) (resid  45 and name  HD1 )  4.0  2.2  1.0 !   C.201  at -1.46e+06
!assign (resid  31 and name HG2# ) (resid  45 and name  HZ2 )  3.0  1.2  0.8 !   C.12   at 2.78e+06
assign (resid  31 and name HD1# ) (resid  45 and name   HA )  4.0  2.2  1.5 !   D.2615 at 6.99e+05
assign (resid  31 and name HD1# ) (resid  48 and name  HD# )  2.5  0.7  0.7 !   C.307  at 3.95e+06
assign (resid  31 and name HG1# ) (resid  48 and name  HD# )  4.0  1.2  0.8 !* D.77   at -1.56e+06
assign (resid  31 and name HD1# ) (resid  48 and name  HE# )  3.0  1.2  0.8 !   D.971  at -1.25e+06
assign (resid  31 and name HG1# ) (resid  48 and name  HE# )  4.0  2.2  1.0 !   C.156  at -1.09e+06
assign (resid  31 and name HG2# ) (resid  48 and name  HE# )  4.0  2.2  1.5 !   C.163  at -1.26e+06
assign (resid  31 and name   HA ) (resid  48 and name  HE# )  4.0  2.2  1.0 !   C.157  at -1.59e+06
assign (resid  31 and name   HB ) (resid  48 and name  HE# )  4.0  2.2  1.0 !   C.164  at -1.02e+06
assign (resid  31 and name HG1# ) (resid  49 and name   HA )  4.0  2.2  1.0 !   D.1381 at 9.63e+05
assign (resid  31 and name HG2# ) (resid  49 and name   HA )  4.0  2.2  2.5 !   D.1389 at 5.82e+05
assign (resid  31 and name HD1# ) (resid  49 and name  HD* )  3.0  1.2  1.3 !   D.1419 at 1.26e+06
assign (resid  31 and name HG2# ) (resid  49 and name  HD* )  3.0  1.2  1.3 !* D.1418 at 3.44e+06

! 32
assign (resid  32 and name   HA ) (resid  32 and name  HG# )  3.0  1.2  0.3 !* D.991  at 5.32e+06
assign (resid  32 and name   HA ) (resid  32 and name  HD# )  3.0  1.2  0.3 !* D.989  at 2.39e+06
assign (resid  32 and name  HD# ) (resid  32 and name  HB# )  2.5  0.7  0.2 !   D.1022 at 3.06e+06
assign (resid  32 and name  HB# ) (resid  33 and name   HN )  4.0  2.2  2.0 !   A.1134 at 7.16e+05
assign (resid  32 and name   HA ) (resid  33 and name   HN )  2.5  0.7  0.4 !   A.1170 at 4.12e+06
assign (resid  32 and name  HB# ) (resid  33 and name  HB# )  4.0  2.2  1.0 !* D.1449 at 1.06e+06
assign (resid  32 and name  HB# ) (resid  35 and name   HN )  4.0  2.2  2.0 !   A.1437 at 4.90e+05
assign (resid  32 and name  HD# ) (resid  35 and name   HN )  4.0  2.2  2.0 !   A.1450 at 4.29e+05
!assign (resid  32 and name   HA ) (resid  35 and name  HG# )  4.0  2.2  1.0 !   D.992  at 7.62e+05
assign (resid  32 and name  HD# ) (resid  35 and name  HG# )  3.0  1.2  0.3 !   D.3085 at 1.01e+06
assign (resid  32 and name  HD# ) (resid  35 and name  HD# )  4.0  2.2  2.0 !   D.1049 at 1.00e+06
assign (resid  32 and name  HG# ) (resid  48 and name  HD# )  4.0  2.2  2.0 !   C.105  at -9.51e+05
assign (resid  32 and name  HG# ) (resid  48 and name  HE# )  4.0  2.2  1.0 !   C.165  at -1.03e+06
assign (resid  32 and name  HD# ) (resid  48 and name  HE# )  3.0  1.2  0.3 !   D.183  at -1.49e+06
assign (resid  32 and name  HD# ) (resid  48 and name  HD# )  4.0  2.2  2.0 !   D.1019 at -5.33e+05

! 33
assign (resid  33 and name  HB# ) (resid  34 and name   HN )  4.0  2.2  2.0 !   A.920  at 8.58e+05
assign (resid  33 and name   HA ) (resid  36 and name   HN )  4.0  2.2  1.0 !   A.1694 at 1.89e+06

! 34
assign (resid  34 and name  HB# ) (resid  34 and name   HN )  4.0  2.2  1.0 !   A.921  at 1.78e+06
assign (resid  34 and name   HA ) (resid  34 and name  HG# )  2.5  0.7  0.2 !   D.1030 at 7.61e+06
assign (resid  34 and name   HN ) (resid  35 and name   HN )  4.0  2.2  2.0 !   A.157  at 4.54e+05
assign (resid  34 and name   HA ) (resid  35 and name   HN )  3.0  1.2  0.5 !   A.1435 at 3.17e+06
assign (resid  34 and name  HB# ) (resid  35 and name   HA )  4.0  2.2  1.0 !   D.785  at 6.03e+05
assign (resid  34 and name  HB# ) (resid  36 and name   HN )  4.0  2.2  2.0 !   A.1708 at 8.59e+05
assign (resid  34 and name  HG# ) (resid  36 and name   HN )  4.0  2.2  2.0 !   A.1707 at 6.03e+05
assign (resid  34 and name   HA ) (resid  37 and name   HN )  4.0  2.2  1.0 !   A.1365 at 1.48e+06

! 35
assign (resid  35 and name  HB# ) (resid  35 and name   HN )  3.0  1.2  0.5 !   A.1448 at 3.64e+06
assign (resid  35 and name  HG# ) (resid  35 and name   HN )  3.0  1.2  0.5 !   A.1445 at 2.25e+06
assign (resid  35 and name  HD# ) (resid  35 and name   HN )  4.0  2.2  1.0 !* A.1444 at 4.84e+06
assign (resid  35 and name   HA ) (resid  35 and name  HD# )  2.5  0.7  0.2 !   D.1034 at 6.80e+06
assign (resid  35 and name   HA ) (resid  35 and name  HG# )  2.5  0.7  0.2 !   D.1036 at 4.97e+06
assign (resid  35 and name  HE# ) (resid  35 and name  HG# )  2.5  0.7  0.2 !   D.915  at 1.50e+07
assign (resid  35 and name  HD# ) (resid  35 and name  HB# )  2.5  0.7  0.2 !   D.1055 at 4.30e+06
assign (resid  35 and name   HN ) (resid  36 and name   HN )  2.5  0.7  0.4 !   A.288  at 7.34e+06
assign (resid  35 and name  HG# ) (resid  36 and name   HN )  4.0  2.2  2.0 !   A.1710 at 7.00e+05
assign (resid  35 and name  HD# ) (resid  36 and name   HN )  4.0  2.2  1.0 !* A.1997 at 2.11e+06
assign (resid  35 and name   HA ) (resid  36 and name   HN )  3.0  1.2  0.5 !   A.1693 at 2.86e+06
assign (resid  35 and name  HB# ) (resid  36 and name   HN )  4.0  2.2  1.0 !   A.1709 at 1.93e+06
assign (resid  35 and name   HN ) (resid  37 and name  HG# )  4.0  2.2  2.0 !   A.1438 at 9.64e+05
assign (resid  35 and name   HN ) (resid  38 and name   HN )  4.0  2.2  2.0 !   A.337  at 8.57e+05
assign (resid  35 and name   HA ) (resid  38 and name   HN )  4.0  2.2  1.0 !   A.1608 at 1.61e+06
assign (resid  35 and name   HA ) (resid  38 and name  HG# )  2.5  0.7  0.2 !   D.1037 at 2.32e+06
assign (resid  35 and name  HD# ) (resid  38 and name  HG# )  3.0  1.2  0.3 !   D.1053 at 1.70e+06
assign (resid  35 and name  HG# ) (resid  38 and name  HG# )  4.0  2.2  1.0 !* D.3247 at 3.63e+06
assign (resid  35 and name   HA ) (resid  39 and name HD1# )  4.0  2.2  2.5 !   D.1149 at 5.06e+05
assign (resid  35 and name  HB# ) (resid  39 and name HD1# )  3.0  1.2  0.8 !   D.1160 at 1.40e+06
assign (resid  35 and name  HG# ) (resid  39 and name HD1# )  4.0  2.2  1.5 !* D.1171 at 1.36e+06
assign (resid  35 and name  HD# ) (resid  48 and name  HD# )  3.0  1.2  0.3 !   D.76   at -1.50e+06
assign (resid  35 and name  HB# ) (resid  48 and name  HD# )  4.0  2.2  1.0 !   D.75   at -7.24e+05
assign (resid  35 and name  HG# ) (resid  48 and name  HE# )  4.0  2.2  1.0 !   D.1359 at -6.74e+05
assign (resid  35 and name  HD# ) (resid  48 and name  HE# )  4.0  2.2  1.0 !   D.186  at -8.87e+05
assign (resid  35 and name  HB# ) (resid  48 and name  HE# )  4.0  2.2  2.0 !   D.185  at -4.74e+05
assign (resid  35 and name  HE# ) (resid  48 and name  HD# )  4.0  2.2  1.0 !   C.97   at -1.23e+06
!assign (resid  35 and name   HA ) (resid  48 and name  HD# )  4.0  2.2  1.0 !   C.101  at -1.84e+06
!assign (resid  35 and name  HG# ) (resid  48 and name  HD# )  3.0  1.2  0.3 !   C.107  at -2.79e+06

! 36
assign (resid  36 and name  HB# ) (resid  36 and name   HN )  2.5  0.7  0.4 !   A.2003 at 5.17e+06
assign (resid  36 and name   HA ) (resid  37 and name   HN )  3.0  1.2  0.5 !   A.1368 at 3.07e+06
assign (resid  36 and name  HB# ) (resid  37 and name   HN )  3.0  1.2  0.5 !   A.1367 at 3.87e+06
assign (resid  36 and name   HN ) (resid  37 and name   HN )  3.0  1.2  0.5 !   A.270  at 3.62e+06
assign (resid  36 and name   HA ) (resid  37 and name   HA )  4.0  2.2  1.0 !   D.886  at 7.71e+05
assign (resid  36 and name  HB# ) (resid  37 and name   HA )  4.0  2.2  1.0 !* D.1071 at 1.59e+06
!assign (resid  36 and name  HB# ) (resid  37 and name  HG# )  3.0  1.2  0.3 !   D.3246 at 1.53e+06
assign (resid  36 and name   HN ) (resid  38 and name   HN )  4.0  2.2  2.0 !   A.336  at 7.36e+05
assign (resid  36 and name  HB# ) (resid  38 and name   HN )  4.0  2.2  2.0 !   A.1611 at 4.81e+05
assign (resid  36 and name   HA ) (resid  38 and name   HN )  4.0  2.2  1.0 !   A.1612 at 1.41e+06
assign (resid  36 and name   HA ) (resid  39 and name   HN )  4.0  2.2  1.0 !   A.2004 at 1.49e+06
assign (resid  36 and name   HN ) (resid  39 and name HD1# )  4.0  2.2  2.5 !   A.1712 at 6.70e+05
assign (resid  36 and name  HB# ) (resid  39 and name   HB )  4.0  2.2  2.0 !   D.1118 at 4.88e+05
assign (resid  36 and name   HA ) (resid  39 and name HD1# )  2.5  0.7  0.7 !   D.1146 at 6.10e+06
assign (resid  36 and name  HB# ) (resid  39 and name HD1# )  2.5  0.7  0.7 !   D.193  at 2.86e+06
assign (resid  36 and name   HA ) (resid  45 and name  HD1 )  4.0  2.2  1.0 !   C.188  at -1.15e+06

! 37
assign (resid  37 and name  HG# ) (resid  37 and name   HN )  2.5  0.7  0.4 !   A.1371 at 5.42e+06
assign (resid  37 and name  HB# ) (resid  37 and name   HN )  2.5  0.7  0.4 !   A.1372 at 1.31e+07
assign (resid  37 and name   HA ) (resid  37 and name  HG# )  2.5  0.7  0.2 !   D.1069 at 8.26e+06
assign (resid  37 and name   HN ) (resid  38 and name   HN )  2.5  0.7  0.4 !   A.269  at 7.55e+06
assign (resid  37 and name  HB# ) (resid  38 and name   HN )  2.5  0.7  0.4 !   A.1616 at 8.22e+06
assign (resid  37 and name   HA ) (resid  38 and name   HN )  3.0  1.2  0.5 !* A.1610 at 5.36e+06
!assign (resid  37 and name   HA ) (resid  40 and name HG2# )  4.0  2.2  2.5 !* D.1073 at 1.25e+06

! 38
assign (resid  38 and name  HB# ) (resid  38 and name   HN )  2.5  0.7  0.4 !   A.1615 at 8.22e+06
assign (resid  38 and name  HG# ) (resid  38 and name   HN )  2.5  0.7  0.4 !   A.1613 at 9.17e+06
assign (resid  38 and name   HA ) (resid  38 and name  HG# )  3.0  1.2  0.3 !* D.1087 at 1.82e+07
assign (resid  38 and name  HB# ) (resid  39 and name   HN )  4.0  2.2  1.0 !   A.788  at 1.27e+06
assign (resid  38 and name  HG# ) (resid  39 and name   HN )  4.0  2.2  1.0 !   A.787  at 1.41e+06
!assign (resid  38 and name   HA ) (resid  39 and name   HN )  2.5  0.7  0.4 !   A.2005 at 5.19e+06
assign (resid  38 and name   HN ) (resid  39 and name HG1# )  4.0  2.2  1.0 !   A.1618 at 1.72e+06
assign (resid  38 and name   HN ) (resid  39 and name HD1# )  4.0  2.2  2.5 !   A.1605 at 8.03e+05
assign (resid  38 and name   HN ) (resid  39 and name   HB )  4.0  2.2  1.0 !   A.1617 at 1.83e+06
assign (resid  38 and name  HG# ) (resid  39 and name HD1# )  3.0  1.2  0.8 !   D.1157 at 1.54e+06
assign (resid  38 and name  HB# ) (resid  39 and name HD1# )  4.0  2.2  1.5 !   C.326  at -1.49e+06
assign (resid  38 and name  HG# ) (resid  39 and name HG1# )  3.0  1.2  0.3 !   D.3290 at 1.18e+06
assign (resid  38 and name   HN ) (resid  40 and name   HN )  4.0  2.2  2.0 !   A.360  at 4.06e+05
assign (resid  38 and name  HG# ) (resid  40 and name HG2# )  4.0  2.2  1.5 !* D.1190 at 2.31e+06
!assign (resid  38 and name  HB# ) (resid  40 and name HG2# )  3.0  1.2  0.8 !   D.1189 at 1.53e+06
!assign (resid  38 and name   HA ) (resid  40 and name HG2# )  2.5  0.7  0.7 !   D.1188 at 3.73e+06
assign (resid  38 and name   HN ) (resid  40 and name HG2# )  4.0  2.2  2.5 !   A.1626 at 7.05e+05
assign (resid  38 and name  HB# ) (resid  44 and name  HB# )  4.0  2.2  1.5 !   D.1264 at 6.18e+05
assign (resid  38 and name  HG# ) (resid  44 and name  HB# )  4.0  2.2  2.5 !   D.1260 at 5.87e+05

! 39
assign (resid  39 and name HD1# ) (resid  39 and name   HN )  3.0  1.2  1.0 !   A.799  at 2.49e+06
assign (resid  39 and name HG1# ) (resid  39 and name   HN )  2.5  0.7  0.4 !   A.849  at 4.28e+06
assign (resid  39 and name   HA ) (resid  39 and name HD1# )  3.0  1.2  0.8 !* D.278  at 2.07e+06
assign (resid  39 and name   HA ) (resid  39 and name HG2# )  2.5  0.7  0.7 !   D.1107 at 4.72e+06
assign (resid  39 and name   HA ) (resid  39 and name HG1# )  2.5  0.7  0.2 !   D.282  at 3.57e+06
assign (resid  39 and name   HB ) (resid  39 and name HD1# )  2.5  0.7  0.7 !   D.1115 at 3.08e+06
assign (resid  39 and name   HN ) (resid  40 and name   HN )  4.0  2.2  1.0 !   A.91   at 1.24e+06
assign (resid  39 and name   HN ) (resid  40 and name HG2# )  4.0  2.2  1.5 !   A.790  at 1.30e+06
assign (resid  39 and name HG2# ) (resid  40 and name   HN )  4.0  2.2  2.5 !   A.1686 at 4.57e+05
assign (resid  39 and name HG2# ) (resid  40 and name   HB )  4.0  2.2  2.5 !   D.47   at 4.38e+05
assign (resid  39 and name HG2# ) (resid  40 and name   HA )  4.0  2.2  1.5 !   D.1355 at 7.41e+05
assign (resid  39 and name   HA ) (resid  40 and name HG2# )  3.0  1.2  0.8 !   D.281  at 1.27e+06
assign (resid  39 and name HG2# ) (resid  40 and name HG2# )  4.0  2.2  2.0 !   D.1194 at 9.26e+05
assign (resid  39 and name HD1# ) (resid  40 and name HG2# )  4.0  2.2  2.0 !   D.1193 at 6.14e+05
assign (resid  39 and name HG1# ) (resid  40 and name HG2# )  4.0  2.2  1.5 !   D.1199 at 7.89e+05
assign (resid  39 and name   HN ) (resid  41 and name   HN )  4.0  2.2  2.0 !   A.474  at 4.10e+05
assign (resid  39 and name   HB ) (resid  41 and name   HN )  4.0  2.2  2.0 !   A.1934 at 1.00e+06
assign (resid  39 and name   HA ) (resid  41 and name   HN )  3.0  1.2  0.5 !   A.1933 at 3.34e+06
assign (resid  39 and name HG2# ) (resid  41 and name   HN )  3.0  1.2  1.0 !   A.1936 at 3.85e+06
assign (resid  39 and name HG2# ) (resid  42 and name   HN )  4.0  2.2  2.5 !   A.1929 at 6.53e+05
assign (resid  39 and name HG2# ) (resid  44 and name   HN )  4.0  2.2  1.5 !   A.607  at 1.40e+06
!assign (resid  39 and name   HA ) (resid  44 and name   HA )  4.0  2.2  1.0 !   D.1109 at 9.08e+05
assign (resid  39 and name   HA ) (resid  44 and name  HB# )  2.5  0.7  0.7 !   D.279  at 5.56e+06
assign (resid  39 and name HD1# ) (resid  44 and name   HA )  4.0  2.2  2.5 !   D.1248 at 5.46e+05
assign (resid  39 and name   HB ) (resid  44 and name  HB# )  4.0  2.2  1.5 !   D.1261 at 9.33e+05
assign (resid  39 and name HG1# ) (resid  44 and name  HB# )  2.5  0.7  0.7 !   D.1273 at 2.41e+06
assign (resid  39 and name HD1# ) (resid  44 and name  HB# )  3.0  1.2  1.3 !* D.1269 at 2.38e+06
assign (resid  39 and name HG2# ) (resid  44 and name  HB# )  2.5  0.7  1.2 !   D.1267 at 7.61e+06
assign (resid  39 and name HD1# ) (resid  45 and name   HN )  4.0  2.2  1.5 !   A.687  at 1.22e+06
assign (resid  39 and name HG2# ) (resid  45 and name   HN )  2.5  0.7  0.9 !   A.686  at 6.42e+06
assign (resid  39 and name HG2# ) (resid  45 and name  HD1 )  2.5  0.7  0.7 !   C.192  at -7.01e+06
assign (resid  39 and name HD1# ) (resid  45 and name  HD1 )  2.5  0.7  0.7 !   C.193  at -4.19e+06
assign (resid  39 and name HD1# ) (resid  45 and name  HH2 )  4.0  2.2  2.5 !   C.205  at -8.62e+05
!assign (resid  39 and name HG2# ) (resid  45 and name  HZ3 )  4.0  2.2  1.5 !   C.228  at -1.78e+06
assign (resid  39 and name HD1# ) (resid  45 and name   HA )  2.5  0.7  0.7 !   D.1279 at 3.71e+06
assign (resid  39 and name HG2# ) (resid  45 and name   HA )  2.5  0.7  0.7 !   D.1281 at 3.80e+06
assign (resid  39 and name   HB ) (resid  45 and name  HD1 )  4.0  2.2  2.0 !   D.1296 at -5.96e+05
assign (resid  39 and name HG2# ) (resid  45 and name  HB# )  3.0  1.2  0.8 !   D.1284 at 1.10e+06
assign (resid  39 and name HD1# ) (resid  45 and name  HE1 )  4.0  2.2  1.5 !   A.519  at 1.89e+06
assign (resid  39 and name HD1# ) (resid  45 and name  HB# )  2.5  0.7  0.7 !   D.3525 at 2.03e+06
assign (resid  39 and name HG1# ) (resid  45 and name  HD1 )  3.0  1.2  0.3 !   D.1301 at -1.37e+06
assign (resid  39 and name   HA ) (resid  45 and name  HD1 )  4.0  2.2  2.0 !   C.199  at -4.66e+05
assign (resid  39 and name HD1# ) (resid  46 and name   HN )  4.0  2.2  2.5 !   A.1534 at 5.95e+05
assign (resid  39 and name HG2# ) (resid  46 and name  HD# )  4.0  2.2  2.5 !   D.43   at -3.03e+05
assign (resid  39 and name HG2# ) (resid  46 and name   HN )  4.0  2.2  1.0 !* A.1533 at 3.35e+06
assign (resid  39 and name HG2# ) (resid  48 and name  HD# )  4.0  2.2  2.5 !   D.66   at -4.18e+05
assign (resid  39 and name HD1# ) (resid  48 and name  HD# )  2.5  0.7  0.7 !   D.78   at -2.57e+06
assign (resid  39 and name HD1# ) (resid  48 and name  HB# )  2.5  0.7  0.7 !   D.1152 at 3.48e+06
assign (resid  39 and name HG1# ) (resid  48 and name   HN )  4.0  2.2  1.0 !   A.578  at 1.14e+06
assign (resid  39 and name HD1# ) (resid  48 and name   HN )  4.0  2.2  1.5 !   A.580  at 1.70e+06
!assign (resid  39 and name HG2# ) (resid  48 and name   HN )  4.0  2.2  1.5 !   A.577  at 1.42e+06
!assign (resid  39 and name HD1# ) (resid  48 and name  HE# )  3.0  1.2  0.8 !   D.1169 at -1.72e+06
assign (resid  39 and name HD1# ) (resid  49 and name  HD* )  4.0  2.2  2.0 !   D.1161 at 9.03e+05
assign (resid  39 and name HD1# ) (resid  49 and name  HB# )  4.0  2.2  1.5 !* D.1151 at 2.18e+06

! 40
assign (resid  40 and name HG2# ) (resid  40 and name   HN )  4.0  2.2  1.5 !   A.1675 at 1.08e+06
assign (resid  40 and name HG2# ) (resid  40 and name   HA )  2.5  0.7  0.7 !   D.1187 at 1.65e+07
assign (resid  40 and name   HN ) (resid  41 and name   HN )  3.0  1.2  0.5 !   A.478  at 3.49e+06
assign (resid  40 and name HG2# ) (resid  41 and name   HN )  3.0  1.2  1.0 !   A.1942 at 2.34e+06
assign (resid  40 and name   HB ) (resid  41 and name   HA )  4.0  2.2  2.0 !   D.45   at 3.96e+05
assign (resid  40 and name   HA ) (resid  41 and name   HN )  2.5  0.7  0.4 !   A.2122 at 4.94e+06
assign (resid  40 and name   HA ) (resid  44 and name  HB# )  4.0  2.2  1.5 !   D.1354 at 6.74e+05
assign (resid  40 and name HG2# ) (resid  44 and name  HB# )  2.5  0.7  1.2 !   D.1268 at 2.57e+06

! 41
assign (resid  41 and name HG2# ) (resid  41 and name   HN )  3.0  1.2  1.0 !* A.1935 at 4.87e+06
assign (resid  41 and name   HA ) (resid  41 and name HG2# )  2.5  0.7  0.7 !   D.1203 at 1.34e+07
assign (resid  41 and name   HB ) (resid  41 and name   HN )  3.0  1.2  0.5 !* A.2121 at 4.94e+06
assign (resid  41 and name HG2# ) (resid  42 and name   HN )  3.0  1.2  1.0 !   A.1928 at 3.27e+06
assign (resid  41 and name   HA ) (resid  42 and name   HN )  2.5  0.7  0.4 !   A.1920 at 9.49e+06
assign (resid  41 and name   HB ) (resid  42 and name   HN )  3.0  1.2  0.5 !* A.1923 at 6.74e+06
assign (resid  41 and name   HN ) (resid  42 and name   HN )  4.0  2.2  2.0 !   A.472  at 4.88e+05
!assign (resid  41 and name   HA ) (resid  43 and name   HN )  3.0  1.2  0.5 !* A.1702 at 4.08e+06
!assign (resid  41 and name   HB ) (resid  43 and name   HN )  3.0  1.2  0.5 !* A.1699 at 8.00e+06
assign (resid  41 and name   HB ) (resid  43 and name  HB# )  4.0  2.2  1.0 !* D.1215 at 1.16e+06
assign (resid  41 and name HG2# ) (resid  43 and name   HN )  3.0  1.2  1.0 !   A.1726 at 2.95e+06
assign (resid  41 and name   HA ) (resid  44 and name   HN )  4.0  2.2  1.0 !   A.602  at 1.22e+06
assign (resid  41 and name HG2# ) (resid  44 and name   HN )  4.0  2.2  1.5 !   A.606  at 1.84e+06
!assign (resid  41 and name   HB ) (resid  44 and name   HN )  3.0  1.2  0.5 !   A.617  at 2.15e+06
!assign (resid  41 and name   HN ) (resid  44 and name   HN )  3.0  1.2  0.5 !   A.30   at 2.12e+06
assign (resid  41 and name   HB ) (resid  44 and name  HB# )  3.0  1.2  0.8 !   D.1258 at 1.10e+06
assign (resid  41 and name   HA ) (resid  44 and name  HB# )  4.0  2.2  2.5 !   D.1255 at 5.67e+05
assign (resid  41 and name   HN ) (resid  44 and name  HB# )  2.5  0.7  0.9 !   A.1941 at 1.10e+07
!assign (resid  41 and name   HN ) (resid  44 and name   HA )  4.0  2.2  1.0 !   A.1940 at 1.16e+06
assign (resid  41 and name   HN ) (resid  45 and name   HN )  4.0  2.2  2.0 !   A.47   at 8.22e+05

! 42
assign (resid  42 and name  HA# ) (resid  43 and name   HN )  3.0  1.2  0.5 !   A.1701 at 2.56e+06
assign (resid  42 and name   HN ) (resid  43 and name   HN )  2.5  0.7  0.4 !   A.384  at 4.51e+06
assign (resid  42 and name  HA# ) (resid  44 and name   HN )  4.0  2.2  2.0 !   A.599  at 5.43e+05
assign (resid  42 and name   HN ) (resid  44 and name   HN )  4.0  2.2  2.0 !   A.32   at 7.36e+05
assign (resid  42 and name  HA# ) (resid  45 and name   HN )  3.0  1.2  0.5 !   A.685  at 2.75e+06
assign (resid  42 and name  HA# ) (resid  45 and name  HZ3 )  4.0  2.2  2.0 !   C.221  at -7.04e+05
assign (resid  42 and name  HA# ) (resid  45 and name  HB# )  4.0  2.2  2.0 !   D.1288 at 4.16e+05
!assign (resid  42 and name  HA# ) (resid  46 and name   HN )  3.0  1.2  0.5 !   A.2058 at 3.39e+06
assign (resid  42 and name  HA# ) (resid  46 and name  HE# )  4.0  2.2  2.0 !   C.127  at -3.85e+05

! 43
assign (resid  43 and name  HB# ) (resid  43 and name   HN )  2.5  0.7  0.4 !   A.1700 at 1.38e+07
assign (resid  43 and name   HA ) (resid  44 and name   HN )  3.0  1.2  0.5 !   A.598  at 3.53e+06
assign (resid  43 and name  HB# ) (resid  44 and name   HN )  2.5  0.7  0.4 !   A.596  at 8.13e+06
assign (resid  43 and name   HN ) (resid  44 and name   HN )  2.5  0.7  0.4 !   A.29   at 5.96e+06
assign (resid  43 and name   HN ) (resid  44 and name  HB# )  4.0  2.2  1.5 !   A.1996 at 1.61e+06
assign (resid  43 and name  HB# ) (resid  44 and name  HB# )  4.0  2.2  1.5 !* D.1254 at 4.51e+06
assign (resid  43 and name   HA ) (resid  46 and name   HN )  3.0  1.2  0.5 !   A.1525 at 2.88e+06
assign (resid  43 and name   HA ) (resid  46 and name  HD# )  3.0  1.2  0.3 !   C.88   at -2.96e+06
assign (resid  43 and name   HA ) (resid  46 and name  HE# )  4.0  2.2  2.0 !   C.133  at -8.11e+05
assign (resid  43 and name  HB# ) (resid  46 and name  HD# )  4.0  2.2  1.0 !   D.1242 at -7.71e+05
assign (resid  43 and name   HA ) (resid  46 and name  HB# )  4.0  2.2  1.0 !   D.1241 at 8.30e+05
assign (resid  43 and name   HN ) (resid  46 and name  HD# )  4.0  2.2  2.0 !   A.383  at 6.87e+05
assign (resid  43 and name   HA ) (resid  46 and name  HD* )  3.0  1.2  0.8 !   D.1238 at -1.41e+06

! 44
assign (resid  44 and name  HB# ) (resid  44 and name   HN )  2.5  0.7  0.9 !   A.605  at 1.67e+07
assign (resid  44 and name  HB# ) (resid  45 and name   HN )  2.5  0.7  0.9 !   A.704  at 9.03e+06
assign (resid  44 and name  HB# ) (resid  45 and name   HA )  3.0  1.2  0.8 !   D.1282 at 1.26e+06
assign (resid  44 and name  HB# ) (resid  46 and name   HN )  4.0  2.2  1.5 !   A.1532 at 1.12e+06
!assign (resid  44 and name   HA ) (resid  47 and name  HB# )  2.5  0.7  0.2 !   D.1351 at 8.11e+06
assign (resid  44 and name  HB# ) (resid  47 and name  HB# )  3.0  1.2  1.3 !* D.854  at 3.74e+06
assign (resid  44 and name  HB# ) (resid  48 and name  HD# )  4.0  2.2  2.5 !   D.79   at -3.14e+05
assign (resid  44 and name  HB# ) (resid  48 and name  HB# )  4.0  2.2  2.5 !   D.1262 at 4.20e+05
assign (resid  44 and name  HB# ) (resid  48 and name   HN )  4.0  2.2  1.5 !   A.582  at 1.07e+06

! 45
assign (resid  45 and name  HB# ) (resid  45 and name  HE1 )  4.0  2.2  1.0 !   A.512  at 1.36e+06
assign (resid  45 and name   HA ) (resid  45 and name  HE1 )  4.0  2.2  1.0 !   A.510  at 1.21e+06
assign (resid  45 and name  HB# ) (resid  45 and name   HN )  2.5  0.7  0.4 !   A.684  at 5.62e+06
!assign (resid  45 and name  HZ3 ) (resid  45 and name   HN )  4.0  2.2  2.0 !* A.49   at 1.77e+06
assign (resid  45 and name  HD1 ) (resid  45 and name   HN )  4.0  2.2  2.0 !   A.53   at 9.27e+05
assign (resid  45 and name  HH2 ) (resid  45 and name  HZ3 )  2.5  0.7  0.2 !   C.216  at -3.21e+06
assign (resid  45 and name  HH2 ) (resid  45 and name  HE3 )  4.0  2.2  1.0 !   B.24   at 1.68e+06
assign (resid  45 and name  HZ2 ) (resid  45 and name  HH2 )  2.5  0.7  0.2 !   C.6    at 3.32e+06
assign (resid  45 and name  HZ2 ) (resid  45 and name  HB# )  4.0  2.2  2.0 !   C.7    at 6.81e+05
assign (resid  45 and name  HD1 ) (resid  45 and name   HA )  2.5  0.7  0.2 !   C.189  at -3.87e+06
assign (resid  45 and name  HD1 ) (resid  45 and name  HB# )  4.0  2.2  1.0 !   C.187  at -1.47e+06
assign (resid  45 and name  HZ3 ) (resid  45 and name  HB# )  4.0  2.2  1.0 !* C.219  at -2.31e+06
assign (resid  45 and name   HN ) (resid  46 and name   HN )  2.5  0.7  0.4 !   A.45   at 6.24e+06
assign (resid  45 and name  HB# ) (resid  46 and name   HN )  2.5  0.7  0.4 !   A.1527 at 4.81e+06
assign (resid  45 and name  HZ3 ) (resid  46 and name   HN )  4.0  2.2  2.0 !* A.310  at 2.49e+06
assign (resid  45 and name  HZ3 ) (resid  46 and name  HD# )  4.0  2.2  1.0 !   B.10   at 4.55e+05
assign (resid  45 and name  HZ3 ) (resid  46 and name  HE# )  4.0  2.2  1.0 !   B.11   at 7.58e+05
assign (resid  45 and name  HH2 ) (resid  46 and name  HE# )  4.0  2.2  1.0 !   B.17   at 1.26e+06
assign (resid  45 and name  HE1 ) (resid  46 and name   HA )  4.0  2.2  2.0 !   A.527  at 6.55e+05
assign (resid  45 and name   HN ) (resid  46 and name  HD# )  4.0  2.2  2.0 !   A.48   at 6.91e+05
assign (resid  45 and name  HD1 ) (resid  46 and name   HN )  4.0  2.2  2.0 !   A.311  at 5.61e+05
assign (resid  45 and name  HZ3 ) (resid  46 and name   HZ )  4.0  2.2  1.0 !   C.217  at -1.39e+06
!assign (resid  45 and name   HN ) (resid  47 and name   HN )  3.0  1.2  0.5 !   A.46   at 2.45e+06
assign (resid  45 and name  HB# ) (resid  47 and name   HN )  4.0  2.2  1.0 !   A.1770 at 1.26e+06
!assign (resid  45 and name  HZ2 ) (resid  48 and name  HD# )  4.0  2.2  2.0 !* D.72   at -8.16e+05
assign (resid  45 and name   HA ) (resid  48 and name  HB# )  2.5  0.7  0.2 !   D.1280 at 6.02e+06
assign (resid  45 and name  HD1 ) (resid  48 and name  HD# )  4.0  2.2  1.0 !   C.297  at -1.83e+06
assign (resid  45 and name  HD1 ) (resid  48 and name  HB# )  4.0  2.2  1.0 !   D.1307 at -8.73e+05
!assign (resid  45 and name   HA ) (resid  48 and name  HD# )  3.0  1.2  0.3 !* C.100  at -3.75e+06
assign (resid  45 and name   HA ) (resid  48 and name  HE# )  4.0  2.2  2.0 !   D.182  at -4.33e+05
assign (resid  45 and name  HE1 ) (resid  49 and name  HD* )  3.0  1.2  0.8 !   A.521  at 3.00e+06
assign (resid  45 and name  HZ2 ) (resid  49 and name  HD* )  3.0  1.2  0.8 !   D.1317 at -1.07e+06
assign (resid  45 and name  HZ3 ) (resid  49 and name  HD* )  4.0  2.2  2.5 !   B.44   at 2.19e+05
assign (resid  45 and name  HE3 ) (resid  49 and name  HD* )  4.0  2.2  1.5 !   B.50   at 3.81e+05
assign (resid  45 and name  HD1 ) (resid  49 and name  HB# )  4.0  2.2  1.0 !   D.1297 at -6.13e+05
assign (resid  45 and name   HA ) (resid  49 and name  HD* )  4.0  2.2  2.5 !   C.406  at 7.71e+05
assign (resid  45 and name   HA ) (resid  50 and name   HN )  4.0  2.2  2.0 !   A.1029 at 9.53e+05
assign (resid  45 and name  HZ2 ) (resid  63 and name HD1# )  4.0  2.2  2.5 !   D.1314 at -4.74e+05
assign (resid  45 and name  HH2 ) (resid  63 and name HD1# )  4.0  2.2  1.5 !   D.1322 at -7.16e+05
assign (resid  45 and name  HZ3 ) (resid  63 and name HD1# )  4.0  2.2  1.5 !   D.1326 at -8.46e+05
assign (resid  45 and name  HZ2 ) (resid  63 and name HG2# )  4.0  2.2  1.5 !   D.1726 at -7.42e+05
assign (resid  45 and name  HZ2 ) (resid  63 and name   HA )  4.0  2.2  2.0 !   C.8    at 9.89e+05
!assign (resid  45 and name  HH2 ) (resid  65 and name   HN )  4.0  2.2  2.0 !* A.284  at 1.59e+06
assign (resid  45 and name  HE3 ) (resid  66 and name HG2# )  4.0  2.2  2.5 !* B.60   at 1.31e+06
assign (resid  45 and name  HZ2 ) (resid  66 and name   HB )  4.0  2.2  1.0 !   D.1312 at -6.05e+05
assign (resid  45 and name  HZ2 ) (resid  66 and name HG2# )  2.5  0.7  0.7 !   C.11   at 5.29e+06
assign (resid  45 and name  HH2 ) (resid  66 and name HG1# )  4.0  2.2  2.0 !   C.206  at -5.35e+05
assign (resid  45 and name  HZ2 ) (resid  66 and name HD1# )  3.0  1.2  0.8 !   D.1857 at 1.07e+06
assign (resid  45 and name  HH2 ) (resid  66 and name   HN )  4.0  2.2  1.0 !   A.489  at 1.97e+06
assign (resid  45 and name  HZ2 ) (resid  66 and name HG1# )  3.0  1.2  0.3 !   D.1318 at -1.22e+06
!assign (resid  45 and name  HH2 ) (resid  66 and name HD1# )  2.5  0.7  0.7 !   C.337  at -6.94e+06
assign (resid  45 and name  HE1 ) (resid  66 and name HG1# )  4.0  2.2  1.0 !   A.515  at 1.45e+06
assign (resid  45 and name  HH2 ) (resid  67 and name   HZ )  4.0  2.2  1.0 !   B.18   at 1.10e+06
assign (resid  45 and name  HE3 ) (resid  67 and name  HE# )  4.0  2.2  1.0 !   B.22   at 6.13e+05
assign (resid  45 and name  HE3 ) (resid  67 and name   HZ )  4.0  2.2  2.0 !   B.23   at 2.90e+05
assign (resid  45 and name  HH2 ) (resid  67 and name  HE# )  4.0  2.2  1.0 !   C.204  at -1.59e+06
assign (resid  45 and name  HZ3 ) (resid  67 and name  HD# )  4.0  2.2  2.0 !   D.1335 at 4.21e+05
assign (resid  45 and name  HZ3 ) (resid  67 and name  HE# )  4.0  2.2  1.0 !   D.1324 at 6.32e+05

! 46
assign (resid  46 and name  HB# ) (resid  46 and name   HN )  2.5  0.7  0.4 !   A.1528 at 6.20e+06
assign (resid  46 and name  HD# ) (resid  46 and name   HN )  2.5  0.7  0.4 !   A.312  at 5.10e+06
assign (resid  46 and name   HZ ) (resid  46 and name  HD# )  4.0  2.2  1.0 !   B.8    at 8.12e+05
assign (resid  46 and name  HD# ) (resid  46 and name  HB# )  2.5  0.7  0.2 !   C.90   at -4.15e+06
assign (resid  46 and name  HD# ) (resid  46 and name   HA )  2.5  0.7  0.2 !   C.89   at -5.20e+06
assign (resid  46 and name  HE# ) (resid  46 and name  HB# )  4.0  2.2  2.0 !   C.130  at -7.73e+05
assign (resid  46 and name  HE# ) (resid  46 and name   HA )  4.0  2.2  1.0 !* C.132  at -2.34e+06
assign (resid  46 and name   HZ ) (resid  46 and name   HA )  4.0  2.2  2.0 !   C.172  at -9.58e+05
assign (resid  46 and name   HA ) (resid  46 and name  HD* )  3.0  1.2  0.8 !   D.1062 at -1.71e+06
assign (resid  46 and name   HN ) (resid  47 and name   HN )  2.5  0.7  0.4 !   A.314  at 1.30e+07
assign (resid  46 and name  HD# ) (resid  47 and name   HN )  4.0  2.2  1.0 !* A.407  at 2.34e+06
assign (resid  46 and name  HB# ) (resid  47 and name   HN )  2.5  0.7  0.4 !   A.1772 at 4.58e+06
assign (resid  46 and name   HA ) (resid  48 and name   HN )  4.0  2.2  1.0 !* A.571  at 5.98e+06
assign (resid  46 and name  HB# ) (resid  48 and name   HN )  4.0  2.2  2.0 !   A.575  at 6.41e+05
assign (resid  46 and name  HD# ) (resid  49 and name  HD* )  2.5  0.7  0.7 !   D.3376 at -2.28e+06
assign (resid  46 and name  HE# ) (resid  49 and name  HD* )  4.0  2.2  1.5 !   B.33   at 4.45e+05
assign (resid  46 and name  HD# ) (resid  49 and name  HB# )  4.0  2.2  2.0 !   D.36   at -5.97e+05
assign (resid  46 and name   HA ) (resid  49 and name  HB# )  4.0  2.2  1.0 !   D.1064 at 8.13e+05
assign (resid  46 and name  HB# ) (resid  49 and name  HD* )  4.0  2.2  1.5 !   D.2685 at 8.91e+05
assign (resid  46 and name   HA ) (resid  49 and name   HN )  3.0  1.2  0.5 !   A.1053 at 2.08e+06
assign (resid  46 and name   HN ) (resid  49 and name  HD* )  4.0  2.2  1.5 !   A.1993 at 1.15e+06
assign (resid  46 and name   HA ) (resid  49 and name  HD* )  2.5  0.7  0.7 !   D.2690 at 2.31e+06
assign (resid  46 and name   HA ) (resid  50 and name   HN )  4.0  2.2  1.0 !   A.1030 at 1.17e+06
assign (resid  46 and name   HA ) (resid  50 and name  HG# )  4.0  2.2  1.0 !   D.1436 at 7.38e+05
assign (resid  46 and name  HD# ) (resid  55 and name  HD* )  2.5  0.7  0.7 !   D.35   at -2.43e+06
assign (resid  46 and name  HD# ) (resid  55 and name  HB# )  4.0  2.2  2.0 !   D.73   at -3.57e+05
assign (resid  46 and name   HA ) (resid  55 and name  HD* )  2.5  0.7  0.7 !   D.1549 at 2.84e+06
assign (resid  46 and name  HB# ) (resid  55 and name  HD* )  2.5  0.7  0.7 !   D.1542 at 2.01e+06
assign (resid  46 and name  HE# ) (resid  55 and name  HD* )  3.0  1.2  0.8 !   D.1551 at -1.08e+06
assign (resid  46 and name  HD# ) (resid  55 and name   HG )  4.0  2.2  1.0 !* D.38   at -1.06e+06
assign (resid  46 and name  HD# ) (resid  63 and name HD1# )  4.0  2.2  1.5 !   D.40   at -9.67e+05
assign (resid  46 and name  HE# ) (resid  63 and name   HB )  4.0  2.2  2.0 !   D.117  at -5.55e+05
assign (resid  46 and name  HE# ) (resid  63 and name HD1# )  2.5  0.7  0.7 !   D.135  at -2.16e+06
assign (resid  46 and name  HE# ) (resid  63 and name HG2# )  3.0  1.2  0.8 !   D.132  at -1.32e+06
assign (resid  46 and name   HZ ) (resid  63 and name HD1# )  2.5  0.7  0.7 !   C.513  at -3.05e+06
assign (resid  46 and name  HE# ) (resid  67 and name   HZ )  4.0  2.2  1.0 !   B.14   at 9.08e+05
!assign (resid  46 and name  HE# ) (resid  67 and name  HD# )  4.0  2.2  1.0 !   B.20   at 8.82e+05
assign (resid  46 and name  HD# ) (resid  67 and name   HZ )  4.0  2.2  2.0 !   D.33   at 3.01e+05
assign (resid  46 and name   HZ ) (resid  67 and name  HD# )  4.0  2.2  2.0 !   C.302  at -9.21e+05

! 47
assign (resid  47 and name  HB# ) (resid  47 and name   HN )  2.5  0.7  0.4 !   A.1769 at 1.57e+07
assign (resid  47 and name  HB# ) (resid  48 and name   HN )  2.5  0.7  0.4 !   A.570  at 6.53e+06
assign (resid  47 and name   HN ) (resid  48 and name   HN )  2.5  0.7  0.4 !   A.24   at 6.05e+06
assign (resid  47 and name   HA ) (resid  48 and name   HN )  3.0  1.2  0.5 !   A.568  at 2.81e+06
assign (resid  47 and name  HB# ) (resid  48 and name  HD# )  4.0  2.2  2.0 !   D.51   at -5.48e+05
!assign (resid  47 and name   HA ) (resid  50 and name   HN )  3.0  1.2  0.5 !   A.1028 at 3.32e+06
assign (resid  47 and name  HB# ) (resid  50 and name  HB# )  4.0  2.2  1.0 !* D.1352 at 2.00e+06
!assign (resid  47 and name   HA ) (resid  50 and name  HG# )  3.0  1.2  0.3 !   D.1350 at 1.41e+06
assign (resid  47 and name   HA ) (resid  50 and name  HB# )  2.5  0.7  0.2 !   D.1349 at 2.95e+06
!assign (resid  47 and name   HA ) (resid  50 and name   HA )  4.0  2.2  1.0 !* D.1429 at 1.03e+06
assign (resid  47 and name   HA ) (resid  51 and name   HN )  3.0  1.2  0.5 !   A.1578 at 2.80e+06

! 48
assign (resid  48 and name  HB# ) (resid  48 and name   HN )  2.5  0.7  0.4 !   A.574  at 8.10e+06
!assign (resid  48 and name  HD# ) (resid  48 and name   HN )  3.0  1.2  0.5 !* A.2009 at 5.65e+06
assign (resid  48 and name  HE# ) (resid  48 and name   HN )  4.0  2.2  2.0 !   A.2010 at 4.99e+05
assign (resid  48 and name  HD# ) (resid  48 and name   HA )  2.5  0.7  0.2 !   D.50   at -2.24e+06
assign (resid  48 and name  HD# ) (resid  48 and name  HB# )  2.5  0.7  0.2 !   D.74   at -2.01e+06
assign (resid  48 and name  HE# ) (resid  48 and name  HB# )  4.0  2.2  2.0 !   D.184  at -5.50e+05
assign (resid  48 and name   HN ) (resid  49 and name  HD* )  4.0  2.2  2.5 !   A.581  at 5.09e+05
assign (resid  48 and name  HB# ) (resid  49 and name   HN )  3.0  1.2  0.5 !   A.2006 at 3.52e+06
assign (resid  48 and name  HD# ) (resid  49 and name  HD* )  2.5  0.7  0.7 !   C.109  at -3.73e+06
assign (resid  48 and name  HD# ) (resid  49 and name  HB# )  3.0  1.2  0.3 !   D.56   at -1.17e+06
assign (resid  48 and name  HE# ) (resid  49 and name  HB# )  4.0  2.2  2.0 !   D.1363 at -5.86e+05
assign (resid  48 and name   HA ) (resid  49 and name   HA )  4.0  2.2  2.0 !   D.1385 at 3.90e+05
assign (resid  48 and name  HE# ) (resid  49 and name   HA )  4.0  2.2  1.0 !   D.1386 at -6.50e+05
assign (resid  48 and name  HB# ) (resid  49 and name  HD* )  4.0  2.2  1.5 !   D.2697 at 8.06e+05
assign (resid  48 and name  HD# ) (resid  49 and name   HN )  2.5  0.7  0.4 !   A.163  at 4.83e+06
assign (resid  48 and name  HD# ) (resid  49 and name   HA )  3.0  1.2  0.3 !   D.71   at -1.11e+06
assign (resid  48 and name  HE# ) (resid  49 and name  HD* )  4.0  2.2  1.5 !   D.1412 at -9.30e+05
assign (resid  48 and name   HN ) (resid  50 and name   HN )  4.0  2.2  2.0 !   A.20   at 8.74e+05
assign (resid  48 and name  HD# ) (resid  50 and name   HN )  4.0  2.2  2.0 !   A.167  at 6.16e+05
assign (resid  48 and name  HD# ) (resid  51 and name   HN )  4.0  2.2  2.0 !   A.328  at 7.25e+05
assign (resid  48 and name  HB# ) (resid  51 and name  HB# )  4.0  2.2  1.0 !   D.3230 at 8.23e+05
assign (resid  48 and name  HD# ) (resid  51 and name  HB# )  4.0  2.2  1.0 !   C.99   at -1.38e+06
assign (resid  48 and name  HD# ) (resid  52 and name  HD2 )  4.0  2.2  1.0 !   B.12   at 8.51e+05
assign (resid  48 and name  HD# ) (resid  52 and name  HE1 )  4.0  2.2  1.0 !   B.13   at 9.44e+05
assign (resid  48 and name  HE# ) (resid  52 and name  HD2 )  4.0  2.2  1.0 !   C.207  at -1.61e+06
assign (resid  48 and name  HB# ) (resid  52 and name  HD2 )  4.0  2.2  2.0 !   D.1465 at -3.06e+05
assign (resid  48 and name  HE# ) (resid  52 and name  HE1 )  3.0  1.2  0.3 !   C.33   at -2.08e+06
!assign (resid  48 and name  HD# ) (resid  54 and name  HG# )  4.0  2.2  1.0 !* C.530  at -3.92e+06

! 49
assign (resid  49 and name  HD* ) (resid  49 and name   HN )  3.0  1.2  1.0 !   A.1046 at 3.58e+06
assign (resid  49 and name   HA ) (resid  49 and name  HD* )  2.5  0.7  0.7 !   D.1379 at 4.70e+06
assign (resid  49 and name   HA ) (resid  49 and name   HG )  3.0  1.2  0.3 !   D.1388 at 1.30e+06
assign (resid  49 and name  HB# ) (resid  49 and name  HD* )  2.5  0.7  0.7 !   D.1415 at 7.66e+06
assign (resid  49 and name  HB# ) (resid  49 and name   HN )  3.0  1.2  0.5 !   A.1050 at 3.28e+06
assign (resid  49 and name   HG ) (resid  49 and name   HN )  4.0  2.2  1.0 !* A.1048 at 6.25e+06
assign (resid  49 and name  HB# ) (resid  50 and name   HN )  3.0  1.2  0.5 !   A.1037 at 2.40e+06
assign (resid  49 and name  HD* ) (resid  50 and name   HN )  4.0  2.2  1.5 !   A.1043 at 1.07e+06
assign (resid  49 and name   HN ) (resid  50 and name   HN )  2.5  0.7  0.4 !   A.166  at 7.09e+06
assign (resid  49 and name   HA ) (resid  50 and name   HN )  4.0  2.2  1.0 !   A.1031 at 1.39e+06
assign (resid  49 and name  HD* ) (resid  50 and name  HG# )  4.0  2.2  1.5 !   D.2696 at 7.13e+05
assign (resid  49 and name  HB# ) (resid  50 and name  HB# )  4.0  2.2  1.0 !   D.2767 at 9.89e+05
assign (resid  49 and name   HA ) (resid  51 and name   HN )  4.0  2.2  2.0 !   A.1581 at 6.75e+05
assign (resid  49 and name  HB# ) (resid  51 and name   HN )  4.0  2.2  2.0 !   A.1590 at 5.74e+05
assign (resid  49 and name  HD* ) (resid  52 and name   HN )  4.0  2.2  2.5 !   A.1400 at 5.58e+05
assign (resid  49 and name   HA ) (resid  52 and name   HN )  4.0  2.2  1.0 !   A.1392 at 1.87e+06
assign (resid  49 and name  HB# ) (resid  52 and name  HD2 )  4.0  2.2  2.0 !* D.1469 at -6.36e+05
assign (resid  49 and name   HA ) (resid  52 and name  HB# )  3.0  1.2  0.3 !   D.1383 at 1.47e+06
assign (resid  49 and name  HB# ) (resid  52 and name  HB# )  4.0  2.2  1.0 !   D.1457 at 9.54e+05
assign (resid  49 and name  HD* ) (resid  53 and name   HA )  4.0  2.2  2.5 !   D.2684 at 5.60e+05
assign (resid  49 and name  HD* ) (resid  54 and name   HN )  4.0  2.2  1.5 !   A.1840 at 1.22e+06
assign (resid  49 and name   HA ) (resid  54 and name   HN )  4.0  2.2  2.0 !   A.1826 at 8.70e+05
!assign (resid  49 and name   HA ) (resid  54 and name  HG# )  3.0  1.2  0.3 !   D.1380 at 1.03e+06
assign (resid  49 and name   HA ) (resid  54 and name  HB# )  3.0  1.2  0.3 !   D.1378 at 1.35e+06
assign (resid  49 and name   HA ) (resid  54 and name   HA )  4.0  2.2  2.0 !   D.1384 at 3.95e+05
assign (resid  49 and name  HD* ) (resid  54 and name   HA )  4.0  2.2  1.5 !* D.1480 at 1.12e+06
assign (resid  49 and name  HB# ) (resid  54 and name  HB# )  4.0  2.2  1.0 !* D.1493 at 1.06e+06
assign (resid  49 and name  HD* ) (resid  54 and name  HB# )  2.5  0.7  0.7 !   D.1413 at 3.64e+06
assign (resid  49 and name  HD* ) (resid  54 and name  HG# )  2.5  0.7  0.7 !   D.1416 at 4.52e+06
assign (resid  49 and name  HB# ) (resid  54 and name   HN )  4.0  2.2  2.0 !   A.1836 at 4.46e+05
!assign (resid  49 and name   HA ) (resid  54 and name  HE# )  4.0  2.2  1.0 !* D.1377 at 1.89e+06
assign (resid  49 and name  HD* ) (resid  54 and name  HE# )  4.0  2.2  1.5 !* D.2683 at 4.14e+06
assign (resid  49 and name  HD* ) (resid  54 and name  HD# )  4.0  2.2  1.5 !* D.2705 at 3.72e+06
assign (resid  49 and name  HD* ) (resid  55 and name   HN )  4.0  2.2  2.5 !   A.1111 at 6.06e+05
assign (resid  49 and name   HA ) (resid  55 and name   HN )  4.0  2.2  2.0 !   A.1096 at 6.47e+05
assign (resid  49 and name  HB# ) (resid  55 and name   HN )  4.0  2.2  2.0 !   A.1113 at 7.20e+05
assign (resid  49 and name   HA ) (resid  55 and name  HB# )  4.0  2.2  2.0 !   D.1387 at 4.77e+05
assign (resid  49 and name  HD* ) (resid  55 and name  HB# )  3.0  1.2  0.8 !   D.2692 at 1.36e+06
assign (resid  49 and name  HD* ) (resid  55 and name  HD* )  2.5  0.7  1.2 !   D.2035 at 3.95e+06
assign (resid  49 and name   HA ) (resid  55 and name  HD* )  4.0  2.2  1.5 !   D.1548 at 7.03e+05
assign (resid  49 and name  HD* ) (resid  62 and name  HD# )  2.5  0.7  0.7 !   C.61   at -4.03e+06
assign (resid  49 and name  HD* ) (resid  62 and name  HE# )  2.5  0.7  0.7 !   C.249  at -7.86e+06
assign (resid  49 and name   HG ) (resid  62 and name  HD# )  3.0  1.2  0.3 !   D.1680 at -1.83e+06
assign (resid  49 and name   HA ) (resid  62 and name  HD# )  4.0  2.2  2.0 !   D.1391 at -3.76e+05
!assign (resid  49 and name   HG ) (resid  62 and name  HE# )  2.5  0.7  0.2 !   D.1695 at -2.06e+06
assign (resid  49 and name  HD* ) (resid  63 and name   HN )  4.0  2.2  2.5 !   A.1911 at 4.79e+05
assign (resid  49 and name  HD* ) (resid  63 and name   HB )  3.0  1.2  0.8 !   D.1723 at 1.33e+06
!assign (resid  49 and name   HG ) (resid  63 and name HG2# )  2.5  0.7  0.7 !   D.1736 at 7.38e+06
assign (resid  49 and name  HD* ) (resid  63 and name HG2# )  2.5  0.7  1.2 !   D.2698 at 5.86e+06
assign (resid  49 and name  HD* ) (resid  63 and name HD1# )  3.0  1.2  1.3 !   D.2701 at 1.56e+06
assign (resid  49 and name  HD* ) (resid  66 and name HD1# )  4.0  2.2  2.0 !   D.1875 at -6.17e+05
assign (resid  49 and name  HD* ) (resid  66 and name   HB )  4.0  2.2  2.5 !   D.2695 at 4.42e+05
assign (resid  49 and name  HD* ) (resid  66 and name HG2# )  4.0  2.2  3.0 !   D.2706 at 5.84e+05

! 50
assign (resid  50 and name  HB# ) (resid  50 and name   HN )  2.5  0.7  0.4 !   A.1036 at 4.15e+06
assign (resid  50 and name  HG# ) (resid  50 and name   HN )  2.5  0.7  0.4 !   A.1033 at 4.60e+06
assign (resid  50 and name   HA ) (resid  50 and name  HG# )  2.5  0.7  0.2 !   D.1425 at 4.18e+06
assign (resid  50 and name   HN ) (resid  51 and name   HN )  2.5  0.7  0.4 !   A.168  at 6.49e+06
assign (resid  50 and name  HG# ) (resid  51 and name   HN )  4.0  2.2  1.0 !   A.1586 at 1.40e+06
assign (resid  50 and name   HA ) (resid  51 and name   HN )  3.0  1.2  0.5 !   A.1577 at 2.87e+06
assign (resid  50 and name  HB# ) (resid  51 and name   HN )  2.5  0.7  0.4 !   A.1589 at 4.44e+06
assign (resid  50 and name   HN ) (resid  52 and name   HN )  4.0  2.2  2.0 !   A.172  at 5.93e+05
!assign (resid  50 and name   HA ) (resid  55 and name   HN )  3.0  1.2  0.5 !* A.1099 at 6.31e+06
assign (resid  50 and name   HA ) (resid  55 and name  HD* )  3.0  1.2  0.8 !   D.1426 at 1.67e+06
!assign (resid  50 and name   HA ) (resid  55 and name  HB# )  3.0  1.2  0.3 !   D.1427 at 1.39e+06
assign (resid  50 and name  HG# ) (resid  55 and name  HB# )  4.0  2.2  2.0 !   D.1528 at 3.45e+05
assign (resid  50 and name  HG# ) (resid  55 and name  HD* )  2.5  0.7  0.7 !   D.1541 at 2.91e+06
assign (resid  50 and name  HG# ) (resid  55 and name   HG )  4.0  2.2  2.0 !   D.1439 at 5.43e+05
assign (resid  50 and name  HB# ) (resid  55 and name  HD* )  3.0  1.2  0.8 !   D.1545 at 1.31e+06
assign (resid  50 and name   HN ) (resid  55 and name  HB# )  4.0  2.2  1.0 !   A.2036 at 1.34e+06
assign (resid  50 and name   HN ) (resid  55 and name   HN )  4.0  2.2  2.0 !   A.1983 at 5.52e+05
assign (resid  50 and name  HG# ) (resid  55 and name   HN )  4.0  2.2  2.0 !   A.1105 at 4.42e+05
assign (resid  50 and name  HB# ) (resid  56 and name   HA )  4.0  2.2  2.0 !* D.1579 at 8.12e+05
assign (resid  50 and name  HG# ) (resid  56 and name   HA )  4.0  2.2  1.0 !* D.1574 at 1.36e+06
assign (resid  50 and name   HA ) (resid  56 and name   HA )  4.0  2.2  1.0 !   D.1573 at 6.23e+05

! 51
assign (resid  51 and name  HB# ) (resid  51 and name   HN )  2.5  0.7  0.4 !   A.1580 at 1.16e+07
assign (resid  51 and name   HA ) (resid  52 and name   HN )  3.0  1.2  0.5 !   A.1390 at 3.96e+06
assign (resid  51 and name  HB# ) (resid  52 and name   HN )  3.0  1.2  0.5 !   A.1391 at 3.19e+06
assign (resid  51 and name   HN ) (resid  52 and name   HN )  2.5  0.7  0.4 !   A.266  at 7.16e+06
assign (resid  51 and name  HB# ) (resid  52 and name  HE1 )  4.0  2.2  2.0 !   C.30   at -7.52e+05
assign (resid  51 and name  HB# ) (resid  52 and name  HD2 )  4.0  2.2  1.0 !   C.212  at -1.13e+06
assign (resid  51 and name  HB# ) (resid  52 and name  HB# )  4.0  2.2  1.0 !* D.1450 at 1.40e+06
assign (resid  51 and name   HN ) (resid  54 and name   HN )  4.0  2.2  2.0 !   A.432  at 8.89e+05
!assign (resid  51 and name   HN ) (resid  55 and name   HN )  4.0  2.2  2.0 !   A.176  at 3.51e+05

! 52
assign (resid  52 and name  HB# ) (resid  52 and name   HN )  2.5  0.7  0.4 !   A.1397 at 8.57e+06
assign (resid  52 and name  HD2 ) (resid  52 and name   HN )  3.0  1.2  0.5 !   A.262  at 2.36e+06
assign (resid  52 and name  HD2 ) (resid  52 and name   HA )  3.0  1.2  0.3 !   D.1461 at -1.26e+06
assign (resid  52 and name  HD2 ) (resid  52 and name  HB# )  2.5  0.7  0.2 !   D.1466 at -2.51e+06
assign (resid  52 and name  HE1 ) (resid  52 and name  HB# )  4.0  2.2  2.0 !   C.31   at -4.27e+05
assign (resid  52 and name   HN ) (resid  53 and name   HN )  4.0  2.2  1.0 !* A.264  at 9.64e+06
assign (resid  52 and name  HB# ) (resid  53 and name   HN )  4.0  2.2  1.0 !   A.1785 at 1.72e+06
assign (resid  52 and name   HA ) (resid  53 and name   HN )  2.5  0.7  0.4 !   A.1780 at 5.76e+06
assign (resid  52 and name   HA ) (resid  53 and name HD2# )  4.0  2.2  2.0 !   A.1880 at 6.08e+05
assign (resid  52 and name   HA ) (resid  53 and name  HB# )  4.0  2.2  1.0 !* D.1452 at 1.29e+06
assign (resid  52 and name   HN ) (resid  54 and name   HN )  4.0  2.2  1.0 !   A.265  at 1.93e+06
assign (resid  52 and name  HB# ) (resid  54 and name   HN )  4.0  2.2  2.0 !   A.1835 at 7.99e+05
assign (resid  52 and name   HA ) (resid  54 and name   HN )  4.0  2.2  1.0 !   A.1832 at 1.21e+06
assign (resid  52 and name  HB# ) (resid  54 and name  HG# )  4.0  2.2  1.0 !   D.1458 at 7.24e+05
assign (resid  52 and name   HN ) (resid  54 and name  HG# )  4.0  2.2  2.0 !   A.1399 at 8.46e+05
assign (resid  52 and name   HN ) (resid  54 and name  HB# )  4.0  2.2  2.0 !   A.1398 at 9.58e+05
assign (resid  52 and name   HA ) (resid  54 and name  HG# )  4.0  2.2  2.0 !   D.1454 at 5.78e+05
assign (resid  52 and name   HA ) (resid  55 and name   HN )  4.0  2.2  2.0 !   A.1102 at 8.02e+05
assign (resid  52 and name   HN ) (resid  55 and name   HN )  4.0  2.2  2.0 !   A.173  at 7.43e+05

! 53
assign (resid  53 and name  HB# ) (resid  53 and name   HN )  3.0  1.2  0.5 !   A.1784 at 3.65e+06
assign (resid  53 and name   HA ) (resid  53 and name HD2# )  4.0  2.2  1.0 !   A.1881 at 1.10e+06
assign (resid  53 and name  HB# ) (resid  53 and name HD2# )  3.0  1.2  0.3 !   A.1877 at 2.01e+06
!assign (resid  53 and name   HN ) (resid  54 and name   HN )  2.5  0.7  0.4 !   A.415  at 5.17e+06
assign (resid  53 and name   HA ) (resid  54 and name   HN )  2.5  0.7  0.4 !   A.1831 at 6.53e+06
assign (resid  53 and name  HB# ) (resid  54 and name   HN )  4.0  2.2  1.0 !   A.1828 at 1.67e+06
assign (resid  53 and name   HN ) (resid  54 and name  HD# )  4.0  2.2  1.0 !   A.1999 at 1.13e+06
assign (resid  53 and name   HN ) (resid  54 and name  HG# )  4.0  2.2  2.0 !   A.2000 at 6.02e+05
assign (resid  53 and name  HB# ) (resid  55 and name   HN )  4.0  2.2  2.0 !   A.1104 at 7.24e+05
assign (resid  53 and name   HA ) (resid  55 and name   HN )  3.0  1.2  0.5 !* A.1101 at 5.72e+06
assign (resid  53 and name   HN ) (resid  55 and name   HN )  4.0  2.2  1.0 !* A.174  at 2.29e+06

! 54
assign (resid  54 and name  HD# ) (resid  54 and name   HN )  3.0  1.2  0.5 !* A.1838 at 8.21e+06
assign (resid  54 and name  HB# ) (resid  54 and name   HN )  3.0  1.2  0.5 !   A.1837 at 3.65e+06
assign (resid  54 and name  HG# ) (resid  54 and name   HN )  3.0  1.2  0.5 !   A.1839 at 3.97e+06
assign (resid  54 and name   HA ) (resid  54 and name  HG# )  3.0  1.2  0.3 !* D.1479 at 3.88e+06
assign (resid  54 and name   HA ) (resid  54 and name  HE# )  2.5  0.7  0.2 !   D.3409 at 2.24e+06
assign (resid  54 and name   HA ) (resid  54 and name  HD# )  2.5  0.7  0.2 !   D.3500 at 5.15e+06
assign (resid  54 and name   HA ) (resid  54 and name  HE# )  2.5  0.7  0.2 !   D.3409 at 2.24e+06
assign (resid  54 and name  HB# ) (resid  54 and name  HD# )  3.0  1.2  0.3 !   D.3506 at 1.28e+06
assign (resid  54 and name   HA ) (resid  55 and name   HN )  3.0  1.2  0.5 !* A.1095 at 4.06e+06
assign (resid  54 and name   HN ) (resid  55 and name   HN )  2.5  0.7  0.4 !   A.175  at 1.58e+07
assign (resid  54 and name  HG# ) (resid  55 and name   HN )  4.0  2.2  1.0 !* A.1109 at 2.87e+06
!assign (resid  54 and name  HB# ) (resid  55 and name   HN )  2.5  0.7  0.4 !   A.2062 at 7.63e+06
assign (resid  54 and name  HB# ) (resid  62 and name  HD# )  3.0  1.2  0.3 !   C.67   at -2.62e+06
assign (resid  54 and name  HB# ) (resid  62 and name  HE# )  3.0  1.2  0.3 !   C.250  at -2.56e+06
assign (resid  54 and name  HG# ) (resid  62 and name  HE# )  3.0  1.2  0.3 !   D.1694 at -1.29e+06
assign (resid  54 and name  HD# ) (resid  62 and name  HE# )  4.0  2.2  1.0 !* D.3487 at -1.89e+06
assign (resid  54 and name   HA ) (resid  62 and name  HD# )  4.0  2.2  2.0 !   D.1482 at -5.25e+05
assign (resid  54 and name  HB# ) (resid  62 and name  HB# )  4.0  2.2  2.0 !   D.1665 at 4.22e+05
assign (resid  54 and name  HB# ) (resid  62 and name   HN )  4.0  2.2  2.0 !* A.540  at 1.55e+06
assign (resid  54 and name  HE# ) (resid  62 and name  HD# )  4.0  2.2  1.0 !   C.58   at -1.24e+06
assign (resid  54 and name  HG# ) (resid  62 and name  HD# )  4.0  2.2  1.0 !* D.1681 at -1.21e+06
assign (resid  54 and name  HB# ) (resid  63 and name HG2# )  4.0  2.2  2.5 !   D.1740 at 5.67e+05

! 55
assign (resid  55 and name   HA ) (resid  55 and name  HD* )  2.5  0.7  0.7 !   D.1508 at 5.03e+06
assign (resid  55 and name   HA ) (resid  55 and name   HG )  3.0  1.2  0.3 !   D.1509 at 1.42e+06
assign (resid  55 and name  HB# ) (resid  55 and name  HD* )  2.5  0.7  0.7 !   D.1539 at 3.61e+06
assign (resid  55 and name   HG ) (resid  55 and name   HN )  4.0  2.2  1.0 !   A.1112 at 1.15e+06
assign (resid  55 and name  HD* ) (resid  55 and name   HN )  3.0  1.2  1.0 !   A.2059 at 2.30e+06
assign (resid  55 and name  HB# ) (resid  55 and name   HN )  2.5  0.7  0.4 !   A.2063 at 7.63e+06
!assign (resid  55 and name   HG ) (resid  56 and name   HN )  2.5  0.7  0.4 !   A.993  at 8.57e+06
assign (resid  55 and name   HA ) (resid  56 and name   HN )  2.5  0.7  0.4 !   A.972  at 1.40e+07
assign (resid  55 and name   HN ) (resid  56 and name   HN )  4.0  2.2  1.0 !   A.145  at 1.60e+06
!assign (resid  55 and name  HD* ) (resid  56 and name   HN )  2.5  0.7  0.9 !   A.988  at 1.24e+07
!assign (resid  55 and name  HB# ) (resid  56 and name   HN )  3.0  1.2  0.5 !   A.990  at 2.06e+06
!assign (resid  55 and name  HD* ) (resid  56 and name   HA )  3.0  1.2  0.8 !   D.1575 at 1.45e+06
assign (resid  55 and name   HG ) (resid  56 and name   HA )  4.0  2.2  1.0 !* D.1576 at 1.28e+06
assign (resid  55 and name  HB# ) (resid  56 and name   HA )  4.0  2.2  2.0 !   D.1571 at 4.60e+05
!assign (resid  55 and name   HG ) (resid  57 and name   HN )  4.0  2.2  2.0 !   A.1670 at 6.40e+05
assign (resid  55 and name  HD* ) (resid  57 and name   HN )  4.0  2.2  1.5 !* A.1674 at 5.36e+06
assign (resid  55 and name   HA ) (resid  59 and name   HN )  4.0  2.2  1.0 !   A.1162 at 1.17e+06
assign (resid  55 and name   HA ) (resid  59 and name  HB# )  4.0  2.2  2.0 !   D.1630 at 4.93e+05
assign (resid  55 and name   HG ) (resid  59 and name HD2# )  4.0  2.2  2.0 !   A.1815 at 5.54e+05
!assign (resid  55 and name  HB# ) (resid  60 and name  HB# )  4.0  2.2  2.0 !   D.1515 at 4.10e+05
assign (resid  55 and name  HB# ) (resid  60 and name  HD* )  4.0  2.2  2.5 !   D.1652 at 5.26e+05
assign (resid  55 and name  HD* ) (resid  60 and name   HA )  2.5  0.7  0.7 !   D.1558 at 3.74e+06
assign (resid  55 and name  HD* ) (resid  62 and name  HD# )  4.0  2.2  1.5 !   D.1671 at -9.73e+05
assign (resid  55 and name  HB# ) (resid  63 and name   HN )  4.0  2.2  1.0 !   A.1908 at 1.67e+06
assign (resid  55 and name   HG ) (resid  63 and name   HB )  4.0  2.2  2.0 !   D.1722 at 5.60e+05
assign (resid  55 and name  HD* ) (resid  63 and name   HB )  3.0  1.2  0.8 !   D.1719 at 1.33e+06
assign (resid  55 and name  HD* ) (resid  63 and name HD1# )  2.5  0.7  1.2 !   D.1565 at 5.68e+06
assign (resid  55 and name  HD* ) (resid  63 and name HG2# )  2.5  0.7  1.2 !   D.1552 at 4.70e+06
!assign (resid  55 and name   HG ) (resid  63 and name HG2# )  2.5  0.7  0.7 !   D.3518 at 3.72e+06
assign (resid  55 and name   HA ) (resid  63 and name HG2# )  4.0  2.2  1.5 !   D.1727 at 7.07e+05
assign (resid  55 and name  HB# ) (resid  63 and name HG2# )  4.0  2.2  1.5 !   D.1744 at 7.72e+05

! 56
assign (resid  56 and name  HB# ) (resid  56 and name   HN )  4.0  2.2  1.0 !   A.974  at 1.52e+06
assign (resid  56 and name   HN ) (resid  57 and name   HN )  4.0  2.2  1.0 !* A.355  at 6.57e+06
assign (resid  56 and name  HB# ) (resid  57 and name   HN )  2.5  0.7  0.4 !   A.1648 at 6.80e+06
assign (resid  56 and name   HA ) (resid  57 and name   HN )  2.5  0.7  0.4 !   A.1645 at 8.74e+06
assign (resid  56 and name   HA ) (resid  57 and name  HD# )  4.0  2.2  2.0 !   D.1578 at 4.34e+05
assign (resid  56 and name   HA ) (resid  58 and name   HN )  4.0  2.2  1.0 !   A.1364 at 1.22e+06
assign (resid  56 and name  HB# ) (resid  58 and name   HN )  3.0  1.2  0.5 !   A.1425 at 2.14e+06
assign (resid  56 and name   HN ) (resid  59 and name   HN )  3.0  1.2  0.5 !   A.146  at 3.94e+06
assign (resid  56 and name  HB# ) (resid  59 and name   HN )  4.0  2.2  1.0 !   A.2039 at 1.20e+06
assign (resid  56 and name   HA ) (resid  59 and name   HN )  4.0  2.2  2.0 !   A.1163 at 7.68e+05
assign (resid  56 and name   HA ) (resid  59 and name  HB# )  4.0  2.2  2.0 !   D.1570 at 5.94e+05
assign (resid  56 and name   HN ) (resid  59 and name  HB# )  3.0  1.2  0.5 !   A.976  at 2.93e+06
assign (resid  56 and name   HN ) (resid  59 and name HD2# )  4.0  2.2  2.0 !   A.161  at 4.21e+05
assign (resid  56 and name  HB# ) (resid  59 and name HD2# )  4.0  2.2  2.0 !   A.1818 at 3.55e+05

! 57
assign (resid  57 and name  HB# ) (resid  57 and name   HN )  2.5  0.7  0.4 !   A.1671 at 4.01e+06
assign (resid  57 and name  HD# ) (resid  57 and name   HN )  3.0  1.2  0.5 !* A.1673 at 8.32e+06
assign (resid  57 and name   HA ) (resid  57 and name  HG# )  3.0  1.2  0.3 !   D.1589 at 1.88e+06
assign (resid  57 and name   HA ) (resid  57 and name  HD# )  3.0  1.2  0.3 !   D.1588 at 1.68e+06
assign (resid  57 and name  HB# ) (resid  57 and name  HD# )  3.0  1.2  0.3 !   D.1601 at 1.55e+06
assign (resid  57 and name  HG# ) (resid  57 and name   HN )  3.0  1.2  0.5 !* A.2090 at 5.36e+06
assign (resid  57 and name  HE# ) (resid  58 and name   HN )  3.0  1.2  0.5 !   A.1374 at 2.16e+06
assign (resid  57 and name   HA ) (resid  58 and name   HN )  4.0  2.2  1.0 !   A.1417 at 1.91e+06
assign (resid  57 and name   HN ) (resid  58 and name   HN )  3.0  1.2  0.5 !   A.281  at 3.35e+06
assign (resid  57 and name  HD# ) (resid  58 and name   HN )  2.5  0.7  0.4 !   A.1423 at 5.51e+06
assign (resid  57 and name  HB# ) (resid  58 and name   HN )  4.0  2.2  1.0 !   A.1422 at 1.17e+06
assign (resid  57 and name  HG# ) (resid  58 and name   HA )  4.0  2.2  1.0 !* D.1612 at 2.75e+06
assign (resid  57 and name  HB# ) (resid  58 and name   HA )  4.0  2.2  1.0 !   D.3366 at 6.23e+05
assign (resid  57 and name  HG# ) (resid  58 and name   HN )  3.0  1.2  0.5 !   A.2064 at 2.45e+06
!assign (resid  57 and name   HN ) (resid  59 and name   HN )  3.0  1.2  0.5 !* A.356  at 1.96e+07
assign (resid  57 and name  HD# ) (resid  59 and name   HN )  3.0  1.2  0.5 !   A.1145 at 2.52e+06
!assign (resid  57 and name   HA ) (resid  60 and name  HD* )  4.0  2.2  1.5 !* D.1590 at 1.70e+06
assign (resid  57 and name   HA ) (resid  56 and name  HB# )  4.0  2.2  1.0 !* D.1594 at 1.24e+06

! 58
assign (resid  58 and name  HB# ) (resid  58 and name   HN )  2.5  0.7  0.4 !   A.1419 at 5.28e+06
assign (resid  58 and name   HN ) (resid  59 and name   HN )  2.5  0.7  0.4 !   A.188  at 1.68e+07
assign (resid  58 and name  HB# ) (resid  59 and name   HN )  3.0  1.2  0.5 !   A.1143 at 3.67e+06
assign (resid  58 and name  HB# ) (resid  59 and name HD2# )  4.0  2.2  2.0 !   A.1821 at 8.20e+05
assign (resid  58 and name   HA ) (resid  59 and name HD2# )  4.0  2.2  1.0 !   A.1833 at 1.24e+06
assign (resid  58 and name   HN ) (resid  59 and name HD2# )  3.0  1.2  0.5 !   A.279  at 2.06e+06
assign (resid  58 and name   HN ) (resid  59 and name  HB# )  4.0  2.2  1.0 !   A.1420 at 1.43e+06
assign (resid  58 and name  HB# ) (resid  59 and name HD2# )  4.0  2.2  2.0 !   A.1821 at 8.20e+05
assign (resid  58 and name   HN ) (resid  60 and name   HN )  4.0  2.2  2.0 !   A.2    at 5.57e+05
assign (resid  58 and name   HA ) (resid  60 and name  HD* )  4.0  2.2  1.5 !   D.1614 at 7.33e+05
assign (resid  58 and name  HB# ) (resid  60 and name   HN )  4.0  2.2  2.0 !   A.514  at 4.47e+05

! 59
assign (resid  59 and name  HB# ) (resid  59 and name   HN )  2.5  0.7  0.4 !   A.1141 at 5.11e+06
assign (resid  59 and name HD2# ) (resid  59 and name   HN )  2.5  0.7  0.4 !   A.190  at 4.93e+06
assign (resid  59 and name  HB# ) (resid  59 and name HD2# )  2.5  0.7  0.2 !   A.1830 at 6.08e+06
assign (resid  59 and name   HA ) (resid  59 and name HD2# )  4.0  2.2  2.0 !   A.1816 at 8.30e+05
assign (resid  59 and name  HB# ) (resid  59 and name HD2# )  3.0  1.2  0.3 !   A.1819 at 3.86e+06
assign (resid  59 and name  HB# ) (resid  60 and name   HN )  4.0  2.2  1.0 !   A.532  at 1.05e+06
assign (resid  59 and name   HA ) (resid  60 and name   HN )  2.5  0.7  0.4 !   A.523  at 1.14e+07
assign (resid  59 and name   HN ) (resid  60 and name   HN )  4.0  2.2  1.0 !   A.187  at 1.59e+06
assign (resid  59 and name   HA ) (resid  60 and name  HD* )  3.0  1.2  0.8 !   D.1624 at 1.01e+06
!assign (resid  59 and name   HN ) (resid  60 and name  HD* )  3.0  1.2  1.0 !   A.1146 at 2.98e+06
!assign (resid  59 and name   HA ) (resid  61 and name   HN )  2.5  0.7  0.4 !   A.1729 at 5.60e+06
assign (resid  59 and name  HB# ) (resid  61 and name   HN )  4.0  2.2  2.0 !   A.1714 at 4.59e+05

! 60
assign (resid  60 and name  HD* ) (resid  60 and name   HN )  2.5  0.7  0.9 !   A.531  at 5.11e+06
assign (resid  60 and name  HB# ) (resid  60 and name   HN )  3.0  1.2  0.5 !   A.530  at 3.75e+06
assign (resid  60 and name   HA ) (resid  60 and name  HD* )  2.5  0.7  0.7 !   D.1632 at 6.73e+06
assign (resid  60 and name  HB# ) (resid  60 and name  HD* )  2.5  0.7  0.7 !   D.1404 at 2.88e+06
assign (resid  60 and name   HN ) (resid  61 and name   HN )  2.5  0.7  0.4 !   A.1    at 8.71e+06
assign (resid  60 and name  HD* ) (resid  61 and name   HN )  4.0  2.2  1.5 !   A.1717 at 1.28e+06
assign (resid  60 and name  HB# ) (resid  61 and name   HN )  4.0  2.2  1.0 !   A.1743 at 1.37e+06
assign (resid  60 and name  HB# ) (resid  61 and name   HA )  4.0  2.2  1.0 !   D.3166 at 6.66e+05
assign (resid  60 and name   HN ) (resid  62 and name   HN )  4.0  2.2  2.0 !   A.5    at 5.17e+05
assign (resid  60 and name   HA ) (resid  62 and name   HN )  4.0  2.2  2.0 !   A.544  at 6.07e+05
assign (resid  60 and name   HA ) (resid  63 and name   HN )  4.0  2.2  2.0 !   A.1899 at 6.75e+05
assign (resid  60 and name   HA ) (resid  63 and name HD1# )  4.0  2.2  1.5 !* D.1634 at 1.07e+06
assign (resid  60 and name   HA ) (resid  63 and name HG2# )  4.0  2.2  1.5 !   D.1635 at 7.30e+05
!assign (resid  60 and name  HD* ) (resid  63 and name HD1# )  2.5  0.7  1.2 !   D.1653 at 5.90e+06
!assign (resid  60 and name  HB# ) (resid  63 and name HG2# )  3.0  1.2  0.8 !   D.1728 at 1.39e+06
assign (resid  60 and name  HB# ) (resid  63 and name   HN )  4.0  2.2  2.0 !   A.1913 at 6.20e+05
!assign (resid  60 and name  HD* ) (resid  63 and name HG2# )  3.0  1.2  1.3 !   D.566  at 1.43e+06
assign (resid  60 and name  HD* ) (resid  64 and name  HG# )  3.0  1.2  0.8 !   D.1651 at 1.77e+06
assign (resid  60 and name   HA ) (resid  79 and name  HG* )  4.0  2.2  2.5 !   D.2186 at 4.69e+05
assign (resid  60 and name  HB# ) (resid  79 and name  HG* )  2.5  0.7  0.7 !   D.2199 at 3.89e+06
assign (resid  60 and name  HD* ) (resid  79 and name   HA )  3.0  1.2  0.8 !   D.2126 at 1.17e+06
!assign (resid  60 and name  HD* ) (resid  79 and name   HB )  3.0  1.2  0.8 !* D.2094 at 2.07e+06
!assign (resid  60 and name  HD* ) (resid  80 and name   HA )  3.0  1.2  0.8 !   D.161  at 1.49e+06
assign (resid  60 and name  HD* ) (resid  82 and name  HD# )  2.5  0.7  0.7 !   C.36   at -4.59e+06
assign (resid  60 and name  HD* ) (resid  82 and name  HE# )  3.0  1.2  0.8 !* C.267  at -6.45e+06
assign (resid  60 and name  HD* ) (resid  82 and name  HB# )  4.0  2.2  1.5 !   D.296  at 6.73e+05
assign (resid  60 and name  HD* ) (resid  83 and name   HN )  4.0  2.2  1.5 !   A.1216 at 1.40e+06

! 61
assign (resid  61 and name  HB# ) (resid  61 and name   HN )  2.5  0.7  0.4 !   A.1731 at 6.73e+06
assign (resid  61 and name   HN ) (resid  62 and name   HN )  2.5  0.7  0.4 !   A.3    at 4.55e+06
assign (resid  61 and name   HA ) (resid  62 and name   HN )  4.0  2.2  1.0 !   A.534  at 1.66e+06
assign (resid  61 and name  HB# ) (resid  62 and name   HN )  4.0  2.2  1.0 !   A.535  at 1.41e+06
assign (resid  61 and name   HN ) (resid  62 and name  HB# )  4.0  2.2  1.0 !   A.1998 at 1.08e+06
assign (resid  61 and name   HN ) (resid  63 and name   HN )  4.0  2.2  1.0 !   A.456  at 1.68e+06
assign (resid  61 and name   HA ) (resid  63 and name   HN )  4.0  2.2  2.0 !   A.1900 at 5.23e+05
assign (resid  61 and name   HA ) (resid  63 and name HG2# )  4.0  2.2  1.5 !   D.1747 at 8.66e+05
assign (resid  61 and name   HA ) (resid  64 and name  HB# )  2.5  0.7  0.2 !   D.1656 at 3.88e+06
assign (resid  61 and name   HA ) (resid  64 and name  HG# )  4.0  2.2  1.0 !* D.3478 at 2.46e+06
assign (resid  61 and name   HN ) (resid  64 and name  HB# )  4.0  2.2  2.0 !   A.1742 at 6.95e+05
assign (resid  61 and name   HA ) (resid  65 and name   HN )  4.0  2.2  1.0 !   A.1428 at 1.75e+06
assign (resid  61 and name   HN ) (resid  65 and name   HN )  4.0  2.2  2.0 !   A.395  at 3.66e+05
assign (resid  61 and name  HB# ) (resid  79 and name  HG* )  4.0  2.2  2.5 !   D.3001 at 4.71e+05

! 62
assign (resid  62 and name  HB# ) (resid  62 and name   HN )  2.5  0.7  0.4 !   A.539  at 7.38e+06
assign (resid  62 and name  HD# ) (resid  62 and name   HN )  4.0  2.2  1.0 !* A.10   at 5.10e+06
assign (resid  62 and name  HD# ) (resid  62 and name  HB# )  2.5  0.7  0.2 !   C.57   at -5.98e+06
assign (resid  62 and name  HD# ) (resid  62 and name   HA )  3.0  1.2  0.3 !* C.63   at -3.59e+06
assign (resid  62 and name  HE# ) (resid  62 and name   HA )  4.0  2.2  1.0 !* D.1658 at -1.23e+06
assign (resid  62 and name  HE# ) (resid  62 and name  HB# )  4.0  2.2  1.0 !* D.1691 at -1.82e+06
assign (resid  62 and name   HN ) (resid  63 and name   HN )  2.5  0.7  0.4 !   A.13   at 4.73e+06
assign (resid  62 and name   HN ) (resid  63 and name HG2# )  4.0  2.2  1.5 !   A.541  at 1.66e+06
assign (resid  62 and name  HB# ) (resid  63 and name   HN )  3.0  1.2  0.5 !   A.1903 at 2.14e+06
assign (resid  62 and name   HA ) (resid  63 and name   HN )  4.0  2.2  1.0 !   A.1912 at 1.31e+06
assign (resid  62 and name  HD# ) (resid  63 and name HG2# )  2.5  0.7  0.7 !   C.60   at -4.52e+06
assign (resid  62 and name  HD# ) (resid  63 and name   HA )  4.0  2.2  1.0 !   D.2629 at -6.74e+05
!assign (resid  62 and name  HE# ) (resid  63 and name HG2# )  2.5  0.7  0.7 !   C.247  at -4.48e+06
assign (resid  62 and name  HE# ) (resid  63 and name   HA )  4.0  2.2  1.0 !   D.1689 at -9.77e+05
assign (resid  62 and name  HB# ) (resid  63 and name HG2# )  4.0  2.2  1.5 !   D.1743 at 7.47e+05
assign (resid  62 and name  HD# ) (resid  63 and name   HN )  3.0  1.2  0.5 !   A.451  at 3.08e+06
assign (resid  62 and name  HD# ) (resid  63 and name HD1# )  4.0  2.2  2.5 !   D.3494 at -5.12e+05
assign (resid  62 and name   HN ) (resid  64 and name   HN )  4.0  2.2  1.0 !   A.113  at 1.10e+06
assign (resid  62 and name   HA ) (resid  64 and name   HN )  4.0  2.2  1.0 !   A.876  at 1.32e+06
assign (resid  62 and name  HD# ) (resid  64 and name   HN )  4.0  2.2  2.0 !   A.114  at 7.66e+05
!assign (resid  62 and name   HA ) (resid  65 and name   HN )  3.0  1.2  0.5 !   A.1427 at 2.37e+06
!assign (resid  62 and name   HA ) (resid  65 and name  HB# )  2.5  0.7  0.2 !   D.1661 at 2.21e+06
assign (resid  62 and name  HD# ) (resid  65 and name  HB# )  4.0  2.2  2.0 !   C.64   at -9.00e+05
assign (resid  62 and name   HN ) (resid  66 and name HD1# )  4.0  2.2  2.5 !   A.546  at 3.33e+05
assign (resid  62 and name   HA ) (resid  66 and name   HN )  4.0  2.2  2.0 !   A.1354 at 7.30e+05
assign (resid  62 and name  HD# ) (resid  66 and name   HB )  4.0  2.2  2.0 !   C.66   at -6.51e+05
assign (resid  62 and name  HE# ) (resid  66 and name HD1# )  2.5  0.7  0.7 !   D.1859 at 2.15e+06
assign (resid  62 and name  HB# ) (resid  66 and name HD1# )  4.0  2.2  2.5 !   D.1867 at -5.53e+05
assign (resid  62 and name  HE# ) (resid  66 and name HG1# )  2.5  0.7  0.2 !   D.3439 at -2.51e+06
assign (resid  62 and name  HD# ) (resid  66 and name HG2# )  4.0  2.2  1.5 !   D.1684 at -7.06e+05
assign (resid  62 and name  HE# ) (resid  66 and name HG2# )  4.0  2.2  1.5 !   D.1698 at -7.68e+05
assign (resid  62 and name  HD# ) (resid  66 and name HG1# )  3.0  1.2  0.3 !   D.3492 at -1.73e+06

! 63
assign (resid  63 and name   HB ) (resid  63 and name   HN )  3.0  1.2  0.5 !* A.1907 at 6.62e+06
assign (resid  63 and name   HA ) (resid  63 and name HG2# )  2.5  0.7  0.7 !   D.1712 at 3.19e+06
assign (resid  63 and name   HA ) (resid  63 and name HD1# )  3.0  1.2  0.8 !   D.1705 at 1.39e+06
assign (resid  63 and name   HB ) (resid  63 and name HD1# )  2.5  0.7  0.7 !   D.1724 at 2.79e+06
assign (resid  63 and name HG2# ) (resid  63 and name   HN )  2.5  0.7  0.9 !   A.1909 at 6.68e+06
assign (resid  63 and name   HA ) (resid  64 and name   HN )  3.0  1.2  0.5 !   A.875  at 2.55e+06
assign (resid  63 and name   HN ) (resid  64 and name   HN )  2.5  0.7  0.4 !   A.112  at 5.17e+06
!assign (resid  63 and name   HB ) (resid  64 and name   HN )  3.0  1.2  0.5 !* A.881  at 6.40e+06
assign (resid  63 and name   HA ) (resid  64 and name  HB# )  4.0  2.2  2.0 !   D.1710 at 4.17e+05
assign (resid  63 and name HD1# ) (resid  64 and name  HG# )  4.0  2.2  2.5 !   D.1784 at 3.87e+05
!assign (resid  63 and name   HA ) (resid  65 and name   HN )  3.0  1.2  0.5 !   A.1430 at 2.16e+06
!assign (resid  63 and name   HN ) (resid  65 and name   HN )  3.0  1.2  0.5 !* A.458  at 8.66e+06
assign (resid  63 and name HG2# ) (resid  65 and name   HN )  4.0  2.2  2.5 !   A.1442 at 7.80e+05
assign (resid  63 and name   HN ) (resid  66 and name   HN )  4.0  2.2  2.0 !   A.258  at 7.24e+05
assign (resid  63 and name   HA ) (resid  66 and name   HN )  3.0  1.2  0.5 !   A.1376 at 2.85e+06
assign (resid  63 and name   HA ) (resid  66 and name HD1# )  3.0  1.2  0.8 !   D.1863 at -1.20e+06
assign (resid  63 and name   HB ) (resid  66 and name HD1# )  4.0  2.2  1.5 !   D.1866 at -9.90e+05
assign (resid  63 and name   HA ) (resid  66 and name   HB )  3.0  1.2  0.3 !   D.1709 at 1.39e+06
assign (resid  63 and name   HA ) (resid  66 and name HG1# )  3.0  1.2  0.3 !   D.1711 at 1.42e+06
assign (resid  63 and name   HA ) (resid  66 and name HG2# )  3.0  1.2  0.8 !   D.1706 at 1.60e+06
assign (resid  63 and name   HB ) (resid  66 and name   HB )  4.0  2.2  2.0 !   D.1725 at 5.03e+05
assign (resid  63 and name HD1# ) (resid  66 and name   HB )  4.0  2.2  2.5 !   D.1826 at 3.95e+05
assign (resid  63 and name HG2# ) (resid  66 and name   HB )  4.0  2.2  1.5 !* D.1741 at 1.24e+06
assign (resid  63 and name   HB ) (resid  66 and name HG2# )  4.0  2.2  1.5 !   D.1849 at 9.56e+05
assign (resid  63 and name HD1# ) (resid  66 and name HG2# )  4.0  2.2  2.0 !   D.1839 at 8.05e+05
assign (resid  63 and name HG2# ) (resid  66 and name   HN )  4.0  2.2  1.5 !   A.1385 at 1.54e+06
assign (resid  63 and name   HA ) (resid  67 and name   HN )  4.0  2.2  1.0 !   A.1975 at 1.85e+06
assign (resid  63 and name HD1# ) (resid  67 and name   HN )  4.0  2.2  1.5 !   A.913  at 1.68e+06
assign (resid  63 and name   HB ) (resid  67 and name  HE# )  2.5  0.7  0.2 !   C.115  at -4.37e+06
assign (resid  63 and name HD1# ) (resid  67 and name  HE# )  2.5  0.7  0.7 !   D.636  at -3.84e+06
assign (resid  63 and name HG2# ) (resid  67 and name  HE# )  3.0  1.2  0.8 !   D.1750 at -1.84e+06
assign (resid  63 and name HD1# ) (resid  67 and name   HZ )  3.0  1.2  0.8 !   D.1903 at -1.14e+06
assign (resid  63 and name HG2# ) (resid  67 and name   HZ )  4.0  2.2  2.5 !   D.1904 at -5.21e+05
assign (resid  63 and name HD1# ) (resid  67 and name  HD# )  4.0  2.2  2.5 !   D.1898 at -4.68e+05
assign (resid  63 and name   HB ) (resid  67 and name   HZ )  3.0  1.2  0.3 !   C.179  at -2.24e+06
assign (resid  63 and name HD1# ) (resid  79 and name  HG* )  2.5  0.7  1.2 !   D.2187 at 4.66e+06
assign (resid  63 and name HG2# ) (resid  79 and name  HG* )  3.0  1.2  1.3 !   D.2188 at 1.55e+06
assign (resid  63 and name HD1# ) (resid  79 and name   HB )  4.0  2.2  2.5 !   D.2179 at 4.63e+05

! 64
assign (resid  64 and name  HB# ) (resid  64 and name   HN )  2.5  0.7  0.4 !   A.879  at 1.00e+07
assign (resid  64 and name  HG# ) (resid  64 and name   HN )  4.0  2.2  1.0 !* A.878  at 4.51e+06
assign (resid  64 and name   HA ) (resid  64 and name  HG# )  2.5  0.7  0.2 !   D.1758 at 3.70e+06
assign (resid  64 and name   HN ) (resid  65 and name   HN )  2.5  0.7  0.4 !   A.111  at 4.04e+06
assign (resid  64 and name  HG# ) (resid  65 and name   HN )  4.0  2.2  1.0 !   A.1433 at 1.15e+06
assign (resid  64 and name   HA ) (resid  65 and name   HN )  3.0  1.2  0.5 !   A.1429 at 2.16e+06
assign (resid  64 and name  HB# ) (resid  65 and name   HN )  2.5  0.7  0.4 !   A.1466 at 6.59e+06
assign (resid  64 and name  HB# ) (resid  66 and name   HN )  4.0  2.2  2.0 !   A.1361 at 5.44e+05
assign (resid  64 and name   HA ) (resid  66 and name   HN )  4.0  2.2  1.0 !   A.1380 at 1.01e+06
assign (resid  64 and name   HA ) (resid  67 and name   HN )  3.0  1.2  0.5 !   A.899  at 2.76e+06
assign (resid  64 and name   HA ) (resid  67 and name  HE# )  4.0  2.2  2.0 !   C.102  at -7.66e+05
assign (resid  64 and name   HA ) (resid  67 and name  HD# )  4.0  2.2  1.0 !   C.149  at -1.82e+06
assign (resid  64 and name  HG# ) (resid  67 and name  HD# )  4.0  2.2  2.0 !   D.1372 at -5.60e+05
assign (resid  64 and name   HA ) (resid  67 and name  HB# )  3.0  1.2  0.3 !   D.1759 at 1.14e+06
assign (resid  64 and name   HA ) (resid  68 and name   HN )  4.0  2.2  1.0 !   A.998  at 1.18e+06
assign (resid  64 and name   HA ) (resid  76 and name  HB# )  4.0  2.2  2.0 !   D.1766 at 5.50e+05
assign (resid  64 and name   HA ) (resid  76 and name   HG )  4.0  2.2  1.0 !   D.1763 at 7.86e+05
assign (resid  64 and name   HA ) (resid  76 and name  HD* )  2.5  0.7  0.7 !   D.1761 at 4.49e+06
assign (resid  64 and name  HG# ) (resid  76 and name  HD* )  2.5  0.7  0.7 !   D.2092 at 2.13e+06
assign (resid  64 and name  HG# ) (resid  76 and name  HB# )  4.0  2.2  1.0 !   D.1783 at 6.68e+05
assign (resid  64 and name  HG# ) (resid  76 and name   HG )  4.0  2.2  1.0 !   D.2075 at 6.96e+05
assign (resid  64 and name   HA ) (resid  79 and name  HG* )  3.0  1.2  0.8 !   D.1764 at 1.48e+06
assign (resid  64 and name  HG# ) (resid  79 and name  HG* )  3.0  1.2  0.8 !* D.2198 at 5.71e+06
assign (resid  64 and name  HB# ) (resid  79 and name  HG* )  2.5  0.7  0.7 !   D.1773 at 2.28e+06
assign (resid  64 and name  HG# ) (resid  79 and name   HB )  4.0  2.2  1.0 !   D.2175 at 8.74e+05
assign (resid  64 and name  HB# ) (resid  80 and name  HG* )  4.0  2.2  1.5 !* D.1774 at 2.12e+06
assign (resid  64 and name  HG# ) (resid  80 and name  HG* )  2.5  0.7  0.7 !   D.2228 at 2.10e+06
assign (resid  64 and name   HA ) (resid  80 and name  HG* )  4.0  2.2  2.5 !   D.2239 at 5.46e+05
assign (resid  64 and name  HB# ) (resid  80 and name   HN )  4.0  2.2  2.0 !   A.824  at 9.50e+05

! 65
assign (resid  65 and name  HB# ) (resid  65 and name   HN )  2.5  0.7  0.4 !   A.1431 at 7.78e+06
assign (resid  65 and name  HD2 ) (resid  65 and name  HB# )  2.5  0.7  0.2 !   C.223  at -3.46e+06
assign (resid  65 and name  HB# ) (resid  65 and name  HE1 )  4.0  2.2  1.0 !* D.885  at 1.70e+06
assign (resid  65 and name  HB# ) (resid  66 and name   HN )  2.5  0.7  0.4 !   A.1379 at 4.02e+06
assign (resid  65 and name   HA ) (resid  66 and name   HN )  4.0  2.2  1.0 !   A.1375 at 1.89e+06
assign (resid  65 and name   HN ) (resid  66 and name   HN )  2.5  0.7  0.4 !   A.285  at 5.65e+06
assign (resid  65 and name   HN ) (resid  66 and name HD1# )  4.0  2.2  2.5 !   A.1443 at 7.40e+05
assign (resid  65 and name   HN ) (resid  66 and name   HB )  4.0  2.2  1.0 !   A.1439 at 1.06e+06
assign (resid  65 and name   HN ) (resid  66 and name HG2# )  4.0  2.2  2.5 !   A.1467 at 5.81e+05
assign (resid  65 and name  HD2 ) (resid  66 and name HG1# )  3.0  1.2  0.3 !   D.1805 at -1.12e+06
assign (resid  65 and name  HD2 ) (resid  66 and name HD1# )  2.5  0.7  0.7 !   C.230  at -4.61e+06
assign (resid  65 and name  HD2 ) (resid  66 and name HG2# )  4.0  2.2  1.5 !   D.1810 at -8.88e+05
assign (resid  65 and name   HN ) (resid  66 and name HG1# )  4.0  2.2  1.0 !   A.1441 at 1.40e+06
assign (resid  65 and name  HB# ) (resid  66 and name HD1# )  2.5  0.7  0.7 !   D.1870 at -2.51e+06
assign (resid  65 and name   HN ) (resid  67 and name   HN )  4.0  2.2  2.0 !   A.125  at 4.82e+05
assign (resid  65 and name  HB# ) (resid  67 and name  HD# )  4.0  2.2  2.0 !   D.873  at -3.79e+05
assign (resid  65 and name   HA ) (resid  68 and name  HB# )  2.5  0.7  0.2 !   D.1788 at 4.97e+06
assign (resid  65 and name   HA ) (resid  68 and name  HG# )  4.0  2.2  1.0 !* D.1789 at 3.12e+06
assign (resid  65 and name   HA ) (resid  68 and name   HN )  2.5  0.7  0.4 !   A.2068 at 1.49e+07
assign (resid  65 and name  HB# ) (resid  69 and name   HN )  4.0  2.2  2.0 !   A.1464 at 4.59e+05
assign (resid  65 and name   HA ) (resid  69 and name   HN )  3.0  1.2  0.5 !   A.1459 at 2.26e+06
assign (resid  65 and name  HE1 ) (resid  69 and name HD1# )  3.0  1.2  0.8 !   C.27   at -2.30e+06
assign (resid  65 and name  HE1 ) (resid  69 and name HG2# )  3.0  1.2  0.8 !   C.26   at -2.30e+06
assign (resid  65 and name  HE1 ) (resid  69 and name HG1# )  4.0  2.2  2.0 !   B.68   at 2.73e+05
assign (resid  65 and name  HD2 ) (resid  69 and name HD1# )  3.0  1.2  0.8 !   D.1807 at -1.72e+06
assign (resid  65 and name  HD2 ) (resid  69 and name HG2# )  4.0  2.2  1.5 !   D.1809 at -7.26e+05

! 66
assign (resid  66 and name HG1# ) (resid  66 and name   HN )  2.5  0.7  0.4 !   A.1382 at 5.05e+06
assign (resid  66 and name HG2# ) (resid  66 and name   HN )  3.0  1.2  1.0 !   A.1384 at 3.07e+06
assign (resid  66 and name HD1# ) (resid  66 and name   HN )  2.5  0.7  0.9 !   A.1386 at 4.07e+06
assign (resid  66 and name   HB ) (resid  66 and name   HN )  2.5  0.7  0.4 !   A.1381 at 4.75e+06
assign (resid  66 and name HD1# ) (resid  66 and name   HB )  2.5  0.7  0.7 !   D.1865 at -2.57e+06
assign (resid  66 and name HD1# ) (resid  66 and name   HA )  2.5  0.7  0.7 !   D.1862 at -6.37e+06
assign (resid  66 and name   HA ) (resid  66 and name HG2# )  2.5  0.7  0.7 !   D.1817 at 4.02e+06
assign (resid  66 and name   HA ) (resid  66 and name HG1# )  2.5  0.7  0.2 !   D.1819 at 3.42e+06
assign (resid  66 and name HG2# ) (resid  67 and name   HN )  3.0  1.2  1.0 !   A.912  at 3.57e+06
assign (resid  66 and name   HA ) (resid  67 and name   HN )  3.0  1.2  0.5 !* A.900  at 4.57e+06
assign (resid  66 and name   HN ) (resid  67 and name   HN )  3.0  1.2  0.5 !   A.126  at 3.80e+06
assign (resid  66 and name   HB ) (resid  67 and name   HN )  3.0  1.2  0.5 !   A.908  at 3.98e+06
assign (resid  66 and name HD1# ) (resid  67 and name   HN )  4.0  2.2  1.5 !   A.914  at 1.22e+06
assign (resid  66 and name HG1# ) (resid  67 and name  HE# )  4.0  2.2  2.0 !   C.117  at -8.35e+05
assign (resid  66 and name HG2# ) (resid  67 and name  HE# )  3.0  1.2  0.8 !   C.114  at -2.31e+06
assign (resid  66 and name HG2# ) (resid  67 and name  HD# )  3.0  1.2  0.8 !   D.1837 at -1.19e+06
assign (resid  66 and name HG2# ) (resid  67 and name   HA )  2.5  0.7  0.7 !   D.1843 at 3.16e+06
assign (resid  66 and name HG1# ) (resid  67 and name   HN )  3.0  1.2  0.5 !   A.910  at 2.46e+06
assign (resid  66 and name   HA ) (resid  69 and name   HN )  4.0  2.2  1.0 !   A.1463 at 1.86e+06
assign (resid  66 and name HD1# ) (resid  69 and name HD1# )  2.5  0.7  1.2 !   D.1873 at -5.33e+06
assign (resid  66 and name HD1# ) (resid  69 and name   HA )  4.0  2.2  2.5 !   D.1932 at -4.10e+05
assign (resid  66 and name   HA ) (resid  69 and name HD1# )  2.5  0.7  0.7 !   D.1815 at 2.44e+06
assign (resid  66 and name   HA ) (resid  69 and name   HB )  4.0  2.2  1.0 !   D.1813 at 8.72e+05
assign (resid  66 and name   HA ) (resid  69 and name HG2# )  3.0  1.2  0.8 !   D.1816 at 1.53e+06
assign (resid  66 and name HD1# ) (resid  69 and name   HB )  4.0  2.2  2.5 !   D.1937 at -5.99e+05
assign (resid  66 and name   HB ) (resid  69 and name HD1# )  4.0  2.2  2.5 !   D.1827 at 4.15e+05
assign (resid  66 and name   HA ) (resid  69 and name HG1# )  2.5  0.7  0.2 !   D.1943 at 2.18e+06
assign (resid  66 and name HD1# ) (resid  69 and name HG1# )  2.5  0.7  0.7 !   D.1949 at -2.20e+06
assign (resid  66 and name HG2# ) (resid  69 and name HD1# )  3.0  1.2  1.3 !   D.1856 at 1.58e+06
assign (resid  66 and name HG2# ) (resid  69 and name   HN )  4.0  2.2  2.5 !   A.1480 at 8.45e+05
assign (resid  66 and name HD1# ) (resid  69 and name   HN )  4.0  2.2  2.5 !   A.1479 at 5.76e+05
assign (resid  66 and name HD1# ) (resid  70 and name   HN )  4.0  2.2  2.5 !   A.1668 at 3.69e+05
assign (resid  66 and name HG2# ) (resid  70 and name   HN )  4.0  2.2  1.5 !   A.1666 at 1.25e+06
assign (resid  66 and name   HA ) (resid  70 and name   HN )  4.0  2.2  1.0 !   A.1642 at 1.08e+06
assign (resid  66 and name HG2# ) (resid  70 and name  HB# )  3.0  1.2  0.8 !   D.1845 at 1.11e+06

! 67
assign (resid  67 and name  HE# ) (resid  67 and name   HN )  4.0  2.2  2.0 !   A.124  at 6.61e+05
assign (resid  67 and name  HD# ) (resid  67 and name   HN )  2.5  0.7  0.4 !   A.123  at 5.20e+06
assign (resid  67 and name   HZ ) (resid  67 and name  HD# )  4.0  2.2  1.0 !   B.5    at 1.10e+06
assign (resid  67 and name  HE# ) (resid  67 and name   HA )  4.0  2.2  2.0 !   C.104  at -4.29e+05
assign (resid  67 and name  HE# ) (resid  67 and name  HB# )  4.0  2.2  2.0 !   C.122  at -4.25e+05
assign (resid  67 and name  HD# ) (resid  67 and name  HB# )  3.0  1.2  0.3 !   D.1371 at -1.58e+06
assign (resid  67 and name  HD# ) (resid  67 and name   HA )  3.0  1.2  0.3 !   C.142  at -2.92e+06
assign (resid  67 and name  HB# ) (resid  67 and name   HN )  2.5  0.7  0.4 !   A.901  at 4.27e+06
assign (resid  67 and name   HN ) (resid  68 and name   HN )  2.5  0.7  0.4 !   A.127  at 6.84e+06
assign (resid  67 and name  HB# ) (resid  68 and name   HN )  3.0  1.2  0.5 !   A.1055 at 3.39e+06
assign (resid  67 and name  HD# ) (resid  68 and name   HN )  4.0  2.2  1.0 !   A.148  at 1.70e+06
assign (resid  67 and name   HN ) (resid  69 and name   HN )  4.0  2.2  2.0 !   A.128  at 7.82e+05
assign (resid  67 and name  HD# ) (resid  70 and name  HB# )  4.0  2.2  2.0 !   D.1365 at -5.92e+05
assign (resid  67 and name  HD# ) (resid  70 and name   HN )  4.0  2.2  2.0 !   A.352  at 6.90e+05
assign (resid  67 and name  HD# ) (resid  72 and name   HN )  4.0  2.2  2.0 !   A.342  at 6.72e+05
assign (resid  67 and name  HD# ) (resid  72 and name  HB# )  4.0  2.2  2.0 !   D.1362 at -5.61e+05
assign (resid  67 and name  HE# ) (resid  75 and name  HD* )  4.0  2.2  1.5 !   B.77   at 6.94e+05
assign (resid  67 and name  HE# ) (resid  75 and name   HG )  4.0  2.2  1.0 !   C.461  at 1.26e+06
assign (resid  67 and name  HD# ) (resid  75 and name  HD* )  4.0  2.2  1.5 !   D.2042 at -8.38e+05
assign (resid  67 and name   HZ ) (resid  75 and name  HD* )  4.0  2.2  1.5 !   D.2040 at -6.68e+05
assign (resid  67 and name  HB# ) (resid  75 and name   HN )  4.0  2.2  2.0 !   A.924  at 5.85e+05
assign (resid  67 and name  HE# ) (resid  75 and name   HA )  4.0  2.2  2.0 !   C.103  at -3.98e+05
assign (resid  67 and name  HE# ) (resid  75 and name  HB# )  4.0  2.2  2.0 !   D.84   at -4.08e+05
!assign (resid  67 and name   HA ) (resid  75 and name  HD* )  3.0  1.2  0.8 !   D.1879 at 1.15e+06
assign (resid  67 and name  HB# ) (resid  75 and name  HD* )  4.0  2.2  1.5 !   D.2046 at 7.39e+05
assign (resid  67 and name  HB# ) (resid  75 and name   HG )  4.0  2.2  2.0 !* D.2430 at 7.80e+05
assign (resid  67 and name  HD# ) (resid  75 and name  HB# )  3.0  1.2  0.3 !   C.153  at -2.97e+06
assign (resid  67 and name  HD# ) (resid  76 and name   HA )  3.0  1.2  0.3 !   D.1375 at -1.21e+06
assign (resid  67 and name  HE# ) (resid  76 and name  HB# )  4.0  2.2  2.0 !   D.57   at -4.03e+05
assign (resid  67 and name  HD# ) (resid  76 and name  HD* )  3.0  1.2  0.8 !   D.1370 at -1.72e+06
assign (resid  67 and name  HD# ) (resid  76 and name  HB# )  4.0  2.2  1.0 !   D.1373 at -8.32e+05
assign (resid  67 and name  HB# ) (resid  76 and name  HB# )  3.0  1.2  0.3 !   D.2066 at 1.12e+06
assign (resid  67 and name  HB# ) (resid  76 and name  HD* )  3.0  1.2  0.8 !   C.369  at 2.30e+06
assign (resid  67 and name   HA ) (resid  76 and name  HD* )  4.0  2.2  1.5 !   D.2103 at 8.76e+05
assign (resid  67 and name  HD# ) (resid  76 and name   HN )  4.0  2.2  1.0 !   A.239  at 1.32e+06
assign (resid  67 and name  HB# ) (resid  76 and name   HN )  4.0  2.2  2.0 !   A.1269 at 5.84e+05
assign (resid  67 and name   HN ) (resid  76 and name  HB# )  4.0  2.2  2.0 !   A.2072 at 9.51e+05
assign (resid  67 and name   HN ) (resid  76 and name   HG )  4.0  2.2  2.0 !* A.2073 at 1.01e+06
assign (resid  67 and name  HD# ) (resid  76 and name   HG )  4.0  2.2  1.0 !   C.516  at -1.02e+06
assign (resid  67 and name   HN ) (resid  76 and name  HD* )  4.0  2.2  1.5 !   A.2112 at 1.86e+06
assign (resid  67 and name  HB# ) (resid  77 and name   HN )  4.0  2.2  2.0 !   A.1705 at 4.23e+05
assign (resid  67 and name   HZ ) (resid  79 and name  HG* )  4.0  2.2  1.5 !   D.1901 at -9.86e+05
assign (resid  67 and name  HE# ) (resid  79 and name  HG* )  2.5  0.7  0.7 !   D.2182 at -2.59e+06
assign (resid  67 and name  HD# ) (resid  79 and name  HG* )  2.5  0.7  0.7 !   D.2181 at -2.02e+06
assign (resid  67 and name  HE# ) (resid  79 and name   HN )  4.0  2.2  2.0 !   A.2012 at 6.67e+05
assign (resid  67 and name  HD# ) (resid  79 and name   HN )  4.0  2.2  2.0 !   A.178  at 6.63e+05

! 68
assign (resid  68 and name   HA ) (resid  68 and name  HG# )  2.5  0.7  0.2 !   D.1910 at 6.91e+06
assign (resid  68 and name   HN ) (resid  69 and name   HN )  2.5  0.7  0.4 !   A.151  at 7.29e+06
assign (resid  68 and name  HG# ) (resid  69 and name   HN )  3.0  1.2  0.5 !   A.1473 at 2.28e+06
assign (resid  68 and name  HB# ) (resid  69 and name   HN )  2.5  0.7  0.4 !   A.1465 at 8.66e+06
assign (resid  68 and name  HG# ) (resid  69 and name   HA )  3.0  1.2  0.3 !   D.1925 at 1.49e+06
assign (resid  68 and name  HG# ) (resid  69 and name HG2# )  3.0  1.2  0.8 !   D.1921 at 1.09e+06
assign (resid  68 and name  HB# ) (resid  69 and name   HA )  4.0  2.2  1.0 !   D.254  at 8.72e+05
assign (resid  68 and name  HB# ) (resid  69 and name HG2# )  3.0  1.2  0.8 !   D.260  at 1.05e+06
assign (resid  68 and name  HB# ) (resid  69 and name HD1# )  4.0  2.2  1.5 !* D.1958 at 1.57e+06
assign (resid  68 and name   HN ) (resid  69 and name HG2# )  4.0  1.2  1.5 !* A.1047 at 5.10e+06
assign (resid  68 and name   HN ) (resid  70 and name   HN )  4.0  2.2  1.0 !   A.149  at 1.98e+06
assign (resid  68 and name  HG# ) (resid  70 and name   HN )  4.0  2.2  2.0 !   A.1662 at 6.69e+05
assign (resid  68 and name  HB# ) (resid  70 and name   HN )  4.0  2.2  1.0 !   A.1661 at 1.25e+06
assign (resid  68 and name   HA ) (resid  71 and name  HD# )  4.0  2.2  2.0 !* D.2358 at 8.47e+05
!assign (resid  68 and name   HA ) (resid  72 and name   HN )  4.0  2.2  1.0 !* A.1650 at 2.92e+06
assign (resid  68 and name   HA ) (resid  76 and name  HD* )  2.5  0.7  0.7 !   D.1908 at 3.00e+06
assign (resid  68 and name   HA ) (resid  76 and name  HB# )  4.0  2.2  2.0 !   D.1913 at 4.51e+05
assign (resid  68 and name  HG# ) (resid  76 and name  HD* )  2.5  0.7  0.7 !   D.2084 at 5.96e+06
assign (resid  68 and name  HB# ) (resid  76 and name  HD* )  2.5  0.7  0.7 !   D.2087 at 5.34e+06
assign (resid  68 and name   HN ) (resid  76 and name  HD* )  3.0  1.2  1.0 !   A.2116 at 3.47e+06
!assign (resid  68 and name   HA ) (resid  80 and name  HG* )  4.0  2.2  1.5 !   D.1909 at 7.17e+05

! 69
assign (resid  69 and name HD1# ) (resid  69 and name   HN )  3.0  1.2  1.0 !   A.1478 at 3.14e+06
assign (resid  69 and name HG1# ) (resid  69 and name   HN )  2.5  0.7  0.4 !   A.1476 at 9.12e+06
assign (resid  69 and name HG2# ) (resid  69 and name   HN )  2.5  0.7  0.9 !   A.1477 at 9.43e+06
assign (resid  69 and name   HB ) (resid  69 and name   HN )  3.0  1.2  0.5 !* A.1474 at 5.40e+06
assign (resid  69 and name   HA ) (resid  69 and name HG1# )  3.0  1.2  0.3 !* D.1927 at 2.42e+06
assign (resid  69 and name   HA ) (resid  69 and name HG2# )  2.5  0.7  0.7 !   D.1929 at 1.17e+07
assign (resid  69 and name   HA ) (resid  69 and name HD1# )  3.0  1.2  0.8 !* D.1928 at 3.45e+06
assign (resid  69 and name   HB ) (resid  69 and name HD1# )  2.5  0.7  0.7 !   D.1939 at 5.14e+06
assign (resid  69 and name   HN ) (resid  70 and name   HN )  2.5  0.7  0.4 !   A.292  at 5.10e+06
assign (resid  69 and name HG1# ) (resid  70 and name   HN )  2.5  0.7  0.4 !   A.1665 at 4.14e+06
assign (resid  69 and name   HA ) (resid  70 and name   HN )  3.0  1.2  0.5 !* A.1639 at 9.29e+06
assign (resid  69 and name HG2# ) (resid  70 and name   HN )  3.0  1.2  1.0 !   A.1667 at 3.43e+06
!assign (resid  69 and name   HB ) (resid  70 and name   HN )  3.0  1.2  0.5 !   A.1663 at 2.42e+06
assign (resid  69 and name HG1# ) (resid  70 and name  HB# )  4.0  2.2  2.0 !   D.1948 at 4.27e+05
assign (resid  69 and name   HN ) (resid  70 and name  HB# )  4.0  2.2  2.0 !   A.1462 at 6.86e+05
assign (resid  69 and name HD1# ) (resid  70 and name   HA )  4.0  2.2  1.5 !   C.333  at -1.27e+06
assign (resid  69 and name HD1# ) (resid  70 and name   HN )  3.0  1.2  1.0 !   A.2080 at 2.58e+06
assign (resid  69 and name HG1# ) (resid  70 and name  HB# )  4.0  2.2  2.0 !   D.1948 at 4.27e+05
assign (resid  69 and name   HA ) (resid  71 and name  HD# )  4.0  2.2  2.0 !   D.1926 at 4.57e+05
assign (resid  69 and name   HN ) (resid  76 and name  HD* )  4.0  2.2  2.5 !   A.2044 at 9.79e+05
assign (resid  69 and name HG2# ) (resid  76 and name  HD* )  4.0  2.2  2.0 !   D.2114 at 6.22e+05
assign (resid  69 and name HD1# ) (resid  76 and name  HD* )  4.0  2.2  2.0 !   D.2113 at 7.92e+05

! 70
assign (resid  70 and name  HB# ) (resid  70 and name   HN )  2.5  0.7  0.4 !   A.1640 at 4.14e+06
assign (resid  70 and name   HA ) (resid  71 and name   HN )  2.5  0.7  0.4 !   A.1619 at 4.18e+06
assign (resid  70 and name   HN ) (resid  71 and name   HN )  4.0  2.2  1.0 !* A.340  at 8.31e+06
assign (resid  70 and name   HA ) (resid  72 and name   HN )  4.0  2.2  1.0 !   A.1654 at 1.86e+06
assign (resid  70 and name   HN ) (resid  72 and name   HN )  4.0  2.2  1.0 !* A.358  at 2.22e+06
assign (resid  70 and name  HB# ) (resid  72 and name   HN )  4.0  2.2  1.0 !   A.1629 at 1.26e+06
assign (resid  70 and name  HB# ) (resid  75 and name  HD* )  4.0  2.2  2.5 !   D.2039 at 4.83e+05

! 71
assign (resid  71 and name  HG# ) (resid  71 and name   HN )  2.5  0.7  0.4 !   A.1625 at 9.96e+06
assign (resid  71 and name  HB# ) (resid  71 and name   HN )  3.0  1.2  0.5 !   A.1623 at 3.40e+06
assign (resid  71 and name  HD# ) (resid  71 and name   HN )  4.0  2.2  1.0 !   A.1620 at 1.64e+06
assign (resid  71 and name   HA ) (resid  71 and name  HD# )  2.5  0.7  0.2 !   D.1969 at 3.18e+06
assign (resid  71 and name   HA ) (resid  71 and name  HG# )  2.5  0.7  0.2 !   D.1977 at 6.07e+06
assign (resid  71 and name  HD# ) (resid  71 and name  HB# )  2.5  0.7  0.2 !   D.1992 at 7.08e+06
assign (resid  71 and name   HN ) (resid  72 and name   HN )  3.0  1.2  0.5 !* A.338  at 6.65e+06
assign (resid  71 and name  HD# ) (resid  72 and name   HN )  4.0  2.2  2.0 !   A.1630 at 8.05e+05
assign (resid  71 and name   HA ) (resid  72 and name   HN )  2.5  0.7  0.4 !   A.1651 at 8.63e+06
assign (resid  71 and name  HB# ) (resid  72 and name   HN )  4.0  2.2  1.0 !   A.1677 at 1.69e+06
assign (resid  71 and name   HA ) (resid  73 and name  HD# )  3.0  1.2  0.3 !   D.1971 at 1.06e+06

! 72
assign (resid  72 and name  HG# ) (resid  72 and name   HN )  4.0  2.2  1.0 !* A.1676 at 2.73e+06
assign (resid  72 and name  HB# ) (resid  72 and name   HN )  2.5  0.7  0.4 !   A.2088 at 4.46e+06
assign (resid  72 and name  HD# ) (resid  72 and name   HN )  4.0  2.2  1.0 !* A.2014 at 2.75e+06
assign (resid  72 and name   HA ) (resid  72 and name  HG# )  4.0  2.2  1.0 !   C.526  at -1.77e+06
assign (resid  72 and name  HB# ) (resid  72 and name   HE )  4.0  2.2  1.0 !   K.8    at -1.49e+06
assign (resid  72 and name   HA ) (resid  72 and name   HE )  4.0  2.2  1.0 !   K.4    at -1.40e+06
assign (resid  72 and name  HG# ) (resid  72 and name   HE )  3.0  1.2  0.3 !   K.9    at -2.06e+06
!assign (resid  72 and name   HE ) (resid  72 and name   HN )  4.0  2.2  2.0 !   A.345  at 6.38e+05
assign (resid  72 and name   HA ) (resid  73 and name  HG# )  4.0  2.2  1.0 !   D.1998 at 8.25e+05
assign (resid  72 and name   HA ) (resid  73 and name  HB# )  4.0  2.2  1.0 !   C.523  at -1.35e+06
assign (resid  72 and name   HA ) (resid  73 and name  HD# )  2.5  0.7  0.2 !   D.1993 at 2.06e+06
assign (resid  72 and name   HN ) (resid  74 and name   HN )  4.0  2.2  2.0 !   A.257  at 4.09e+05
assign (resid  72 and name   HA ) (resid  74 and name   HN )  4.0  2.2  1.0 !   A.1330 at 1.73e+06
assign (resid  72 and name  HD# ) (resid  74 and name   HN )  4.0  2.2  2.0 !* A.1331 at 2.82e+06
assign (resid  72 and name  HB# ) (resid  74 and name   HN )  4.0  2.2  2.0 !   A.1338 at 1.00e+06
assign (resid  72 and name  HG# ) (resid  74 and name   HN )  4.0  2.2  1.0 !   A.1339 at 1.64e+06
assign (resid  72 and name   HE ) (resid  74 and name   HN )  4.0  2.2  2.0 !   K.1    at -6.81e+05
assign (resid  72 and name   HA ) (resid  75 and name  HD* )  4.0  2.2  2.5 !   D.2045 at 4.71e+05
assign (resid  72 and name   HA ) (resid  75 and name   HN )  4.0  2.2  2.0 !   A.2015 at 4.49e+05
assign (resid  72 and name   HN ) (resid  75 and name  HD* )  4.0  2.2  2.5 !   A.1994 at 9.59e+05
assign (resid  72 and name   HN ) (resid  75 and name   HN )  4.0  2.2  2.0 !   A.357  at 3.80e+05
!assign (resid  72 and name  HB# ) (resid  75 and name   HN )  3.0  1.2  0.5 !   A.935  at 2.06e+06
assign (resid  72 and name  HB# ) (resid  75 and name  HD* )  2.5  0.7  0.7 !   C.393  at 3.95e+06
assign (resid  72 and name   HE ) (resid  75 and name   HG )  4.0  2.2  2.0 !   K.11   at -8.19e+05
assign (resid  72 and name   HE ) (resid  75 and name  HD* )  4.0  2.2  1.5 !   K.12   at -1.07e+06
assign (resid  72 and name   HE ) (resid  75 and name   HN )  4.0  2.2  2.0 !   K.2    at -8.80e+05
assign (resid  72 and name   HA ) (resid  75 and name  HD* )  4.0  2.2  1.5 !   D.1999 at 6.78e+05

! 73
assign (resid  73 and name   HA ) (resid  73 and name  HD# )  3.0  1.2  0.3 !   D.2004 at 1.33e+06
assign (resid  73 and name   HA ) (resid  73 and name  HG# )  3.0  1.2  0.3 !* D.2006 at 2.62e+06
assign (resid  73 and name  HB# ) (resid  73 and name  HD# )  3.0  1.2  0.3 !   D.2016 at 1.89e+06
assign (resid  73 and name   HA ) (resid  74 and name   HN )  4.0  2.2  1.0 !   A.1329 at 1.53e+06
assign (resid  73 and name  HB# ) (resid  74 and name   HN )  3.0  1.2  0.5 !* A.1337 at 6.04e+06
assign (resid  73 and name   HA ) (resid  75 and name   HN )  4.0  2.2  2.0 !   A.925  at 3.35e+05
assign (resid  73 and name   HA ) (resid  76 and name   HN )  3.0  1.2  0.5 !   A.1267 at 2.76e+06
assign (resid  73 and name   HA ) (resid  76 and name  HD* )  2.5  0.7  0.7 !   D.2007 at 2.50e+06
assign (resid  73 and name   HA ) (resid  76 and name  HB# )  2.5  0.7  0.2 !   D.2003 at 4.79e+06
assign (resid  73 and name  HB# ) (resid  76 and name  HB# )  4.0  2.2  1.0 !   D.2072 at 9.08e+05
assign (resid  73 and name   HA ) (resid  76 and name   HG )  4.0  2.2  1.0 !* D.2073 at 1.07e+06
assign (resid  73 and name  HB# ) (resid  76 and name  HD* )  3.0  1.2  0.8 !   D.2088 at 1.97e+06
assign (resid  73 and name   HA ) (resid  76 and name   HA )  4.0  2.2  2.0 !   D.2002 at 4.78e+05
assign (resid  73 and name  HB# ) (resid  77 and name   HN )  4.0  2.2  2.0 !   A.1718 at 9.47e+05

! 74
assign (resid  74 and name  HB# ) (resid  74 and name   HN )  2.5  0.7  0.4 !   A.1332 at 5.37e+06
assign (resid  74 and name  HB# ) (resid  75 and name   HN )  4.0  2.2  2.0 !   A.930  at 7.91e+05
assign (resid  74 and name   HA ) (resid  75 and name   HN )  4.0  2.2  1.0 !   A.922  at 1.62e+06
assign (resid  74 and name   HN ) (resid  75 and name   HN )  2.5  0.7  0.4 !   A.132  at 4.81e+06
assign (resid  74 and name   HN ) (resid  76 and name   HN )  4.0  2.2  1.0 !   A.242  at 1.10e+06
assign (resid  74 and name   HN ) (resid  77 and name   HN )  4.0  2.2  2.0 !   A.255  at 5.97e+05
!assign (resid  74 and name   HA ) (resid  77 and name   HB )  2.5  0.7  0.2 !   D.2024 at 2.21e+06
assign (resid  74 and name  HB# ) (resid  77 and name   HB )  4.0  2.2  1.0 !   D.127  at 8.65e+05
assign (resid  74 and name   HA ) (resid  77 and name HG2# )  4.0  2.2  1.5 !* D.2133 at 2.37e+06
assign (resid  74 and name  HB# ) (resid  77 and name HG2# )  4.0  2.2  1.5 !   D.2136 at 9.80e+05
assign (resid  74 and name  HB# ) (resid  77 and name   HN )  4.0  2.2  2.0 !   A.1706 at 9.77e+05

! 75
assign (resid  75 and name  HD* ) (resid  75 and name   HN )  3.0  1.2  1.0 !   A.941  at 2.73e+06
assign (resid  75 and name  HB# ) (resid  75 and name   HN )  2.5  0.7  0.4 !   A.938  at 4.88e+06
assign (resid  75 and name   HG ) (resid  75 and name   HN )  4.0  2.2  1.0 !* A.940  at 3.20e+06
assign (resid  75 and name   HA ) (resid  75 and name   HG )  2.5  0.7  0.2 !   D.1973 at 4.29e+06
assign (resid  75 and name  HD* ) (resid  75 and name   HA )  2.5  0.7  0.7 !   C.386  at 3.02e+06
assign (resid  75 and name  HD* ) (resid  75 and name  HB# )  2.5  0.7  0.7 !   D.2049 at 2.96e+06
assign (resid  75 and name   HN ) (resid  76 and name   HN )  2.5  0.7  0.4 !   A.240  at 5.36e+06
assign (resid  75 and name  HD* ) (resid  76 and name   HN )  4.0  2.2  1.5 !   A.1287 at 1.07e+06
assign (resid  75 and name   HA ) (resid  76 and name   HN )  4.0  2.2  2.0 !   A.1268 at 9.74e+05
assign (resid  75 and name  HB# ) (resid  76 and name   HN )  4.0  2.2  1.0 !   A.1281 at 1.86e+06
assign (resid  75 and name   HG ) (resid  76 and name   HN )  4.0  2.2  2.0 !   A.1284 at 8.04e+05
assign (resid  75 and name  HB# ) (resid  76 and name  HD* )  4.0  2.2  1.5 !* D.2107 at 1.79e+06
assign (resid  75 and name   HN ) (resid  77 and name   HN )  4.0  2.2  2.0 !   A.130  at 5.83e+05
assign (resid  75 and name   HA ) (resid  78 and name   HN )  3.0  1.2  0.5 !   A.1248 at 2.17e+06
!assign (resid  75 and name   HG ) (resid  78 and name   HN )  4.0  2.2  2.0 !   A.1260 at 6.05e+05
assign (resid  75 and name   HA ) (resid  78 and name  HG# )  3.0  1.2  0.3 !   D.2033 at 1.47e+06
assign (resid  75 and name  HB# ) (resid  78 and name   HN )  4.0  2.2  1.0 !   A.1256 at 1.62e+06
assign (resid  75 and name   HA ) (resid  79 and name   HN )  4.0  2.2  2.0 !   A.1165 at 8.68e+05

! 76
assign (resid  76 and name  HB# ) (resid  76 and name   HN )  2.5  0.7  0.4 !   A.1280 at 5.04e+06
assign (resid  76 and name  HD* ) (resid  76 and name   HN )  3.0  1.2  1.0 !   A.1285 at 2.13e+06
assign (resid  76 and name   HG ) (resid  76 and name   HN )  4.0  2.2  1.0 !* A.1279 at 2.22e+06
assign (resid  76 and name   HA ) (resid  76 and name  HD* )  2.5  0.7  0.7 !   D.2057 at 2.75e+06
assign (resid  76 and name  HB# ) (resid  76 and name  HD* )  2.5  0.7  0.7 !   D.2070 at 3.36e+06
assign (resid  76 and name   HN ) (resid  77 and name   HN )  3.0  1.2  0.5 !   A.241  at 3.81e+06
assign (resid  76 and name  HD* ) (resid  77 and name   HN )  3.0  1.2  1.0 !   A.1724 at 2.48e+06
assign (resid  76 and name  HB# ) (resid  77 and name   HN )  2.5  0.7  0.4 !   A.1719 at 4.63e+06
assign (resid  76 and name   HG ) (resid  77 and name   HN )  4.0  2.2  1.0 !   A.1720 at 1.47e+06
assign (resid  76 and name  HD* ) (resid  77 and name   HB )  4.0  2.2  2.5 !   D.106  at 4.90e+05
assign (resid  76 and name  HD* ) (resid  77 and name   HA )  4.0  2.2  1.5 !   D.164  at 7.17e+05
assign (resid  76 and name   HG ) (resid  77 and name   HA )  4.0  2.2  1.0 !   D.2122 at 8.33e+05
assign (resid  76 and name   HN ) (resid  78 and name   HN )  4.0  2.2  2.0 !   A.230  at 4.82e+05
assign (resid  76 and name  HD* ) (resid  78 and name   HN )  4.0  2.2  2.5 !   A.2041 at 9.09e+05
assign (resid  76 and name   HA ) (resid  79 and name   HB )  3.0  1.2  0.3 !   D.2173 at 1.16e+06
assign (resid  76 and name  HB# ) (resid  79 and name   HN )  4.0  2.2  2.0 !   A.1149 at 7.18e+05
assign (resid  76 and name   HA ) (resid  79 and name  HG* )  2.5  0.7  0.7 !   D.2189 at 2.62e+06
assign (resid  76 and name  HB# ) (resid  80 and name  HG* )  2.5  0.7  0.7 !   D.3521 at 3.32e+06
assign (resid  76 and name   HG ) (resid  80 and name  HG* )  2.5  0.7  0.7 !   D.2076 at 2.41e+06
assign (resid  76 and name  HD* ) (resid  80 and name  HG* )  2.5  0.7  1.2 !   D.2093 at 5.00e+06
assign (resid  76 and name  HD* ) (resid  80 and name   HB )  3.0  1.2  0.8 !* D.2111 at 2.74e+06
assign (resid  76 and name   HA ) (resid  80 and name  HG* )  3.0  1.2  0.8 !   D.2215 at 1.95e+06
assign (resid  76 and name   HG ) (resid  80 and name   HN )  4.0  2.2  2.0 !   A.826  at 8.51e+05
assign (resid  76 and name   HG ) (resid  80 and name   HA )  4.0  2.2  2.0 !   D.163  at 5.97e+05

! 77
assign (resid  77 and name HG2# ) (resid  77 and name   HN )  2.5  0.7  0.9 !   A.1723 at 5.09e+06
assign (resid  77 and name   HB ) (resid  77 and name   HN )  2.5  0.7  0.4 !   A.1704 at 8.54e+06
assign (resid  77 and name   HA ) (resid  77 and name HG2# )  2.5  0.7  0.7 !   D.2121 at 1.23e+07
assign (resid  77 and name   HB ) (resid  78 and name   HN )  4.0  2.2  1.0 !   A.1249 at 1.94e+06
assign (resid  77 and name   HN ) (resid  78 and name   HN )  2.5  0.7  0.4 !   A.231  at 4.35e+06
assign (resid  77 and name HG2# ) (resid  78 and name   HN )  3.0  1.2  1.0 !   A.1257 at 3.17e+06
assign (resid  77 and name   HB ) (resid  78 and name  HG# )  4.0  2.2  1.0 !   D.126  at 7.75e+05
assign (resid  77 and name HG2# ) (resid  78 and name  HG# )  2.5  0.7  0.7 !   D.2139 at 2.15e+06
assign (resid  77 and name   HB ) (resid  79 and name   HN )  4.0  2.2  2.0 !   A.1116 at 8.58e+05
assign (resid  77 and name   HN ) (resid  79 and name   HN )  4.0  2.2  1.0 !   A.385  at 1.10e+06
assign (resid  77 and name   HB ) (resid  79 and name  HG* )  4.0  2.2  1.5 !   D.2196 at -8.48e+05
assign (resid  77 and name   HN ) (resid  80 and name   HN )  4.0  2.2  2.0 !   A.88   at 6.76e+05
!assign (resid  77 and name   HB ) (resid  80 and name   HB )  4.0  2.2  1.0 !* D.125  at 1.11e+06
assign (resid  77 and name   HA ) (resid  80 and name  HG* )  2.5  0.7  0.7 !   D.2129 at 4.92e+06
assign (resid  77 and name   HA ) (resid  80 and name   HB )  2.5  0.7  0.2 !   D.2119 at 4.80e+06
assign (resid  77 and name   HB ) (resid  80 and name  HG* )  4.0  2.2  1.5 !* D.2226 at 1.22e+06
assign (resid  77 and name HG2# ) (resid  80 and name   HB )  3.0  1.2  0.8 !* D.2138 at 3.32e+06
assign (resid  77 and name   HA ) (resid  80 and name   HN )  3.0  1.2  0.5 !   A.816  at 3.05e+06
assign (resid  77 and name HG2# ) (resid  80 and name  HG* )  2.5  0.7  1.2 !   E.554  at 3.49e+06
!assign (resid  77 and name   HA ) (resid  81 and name   HN )  3.0  1.2  0.5 !   A.763  at 2.06e+06
assign (resid  77 and name HG2# ) (resid  81 and name   HN )  3.0  1.2  1.0 !   A.772  at 2.13e+06
assign (resid  77 and name   HB ) (resid  81 and name  HB# )  4.0  2.2  2.0 !   D.128  at 3.71e+05
assign (resid  77 and name HG2# ) (resid  81 and name  HB# )  2.5  0.7  0.7 !   D.2134 at 2.40e+06
assign (resid  77 and name   HA ) (resid  81 and name  HB# )  4.0  2.2  2.0 !   D.2260 at 4.19e+05
assign (resid  77 and name HG2# ) (resid  81 and name   HA )  4.0  2.2  1.5 !* D.2132 at +3.51e+06
!assign (resid  77 and name   HN ) (resid  81 and name   HN )  4.0  2.2  2.0 !   A.2120 at 4.45e+05

! 78
assign (resid  78 and name  HG# ) (resid  78 and name   HN )  2.5  0.7  0.4 !   A.1253 at 5.68e+06
assign (resid  78 and name  HB# ) (resid  78 and name   HN )  2.5  0.7  0.4 !   A.1252 at 6.41e+06
assign (resid  78 and name   HA ) (resid  78 and name  HG# )  2.5  0.7  0.2 !   D.1915 at 4.77e+06
assign (resid  78 and name   HA ) (resid  79 and name   HN )  3.0  1.2  0.5 !   A.1114 at 3.36e+06
assign (resid  78 and name   HN ) (resid  79 and name   HN )  2.5  0.7  0.4 !   A.183  at 4.53e+06
assign (resid  78 and name  HB# ) (resid  79 and name   HN )  4.0  2.2  1.0 !   A.1148 at 1.28e+06
assign (resid  78 and name  HB# ) (resid  80 and name   HN )  4.0  2.2  2.0 !   A.821  at 9.09e+05
assign (resid  78 and name   HA ) (resid  80 and name   HN )  4.0  2.2  1.0 !   A.815  at 1.51e+06
assign (resid  78 and name   HN ) (resid  80 and name   HN )  4.0  2.2  1.0 !   A.86   at 1.06e+06
!assign (resid  78 and name   HA ) (resid  81 and name   HN )  3.0  1.2  0.5 !   A.762  at 3.40e+06
assign (resid  78 and name   HN ) (resid  81 and name   HN )  4.0  2.2  2.0 !   A.81   at 9.97e+05
!assign (resid  78 and name   HA ) (resid  81 and name  HB# )  3.0  1.2  0.3 !* D.1916 at 3.17e+06

! 79
assign (resid  79 and name   HB ) (resid  79 and name   HN )  3.0  1.2  0.5 !* A.1147 at 7.30e+06
assign (resid  79 and name  HG* ) (resid  79 and name   HN )  2.5  0.7  0.9 !   A.1119 at 7.92e+06
assign (resid  79 and name   HA ) (resid  79 and name  HG* )  2.5  0.7  0.7 !   D.2167 at 5.34e+06
assign (resid  79 and name   HA ) (resid  80 and name   HN )  4.0  2.2  1.0 !   A.817  at 1.78e+06
assign (resid  79 and name   HN ) (resid  80 and name   HN )  2.5  0.7  0.4 !   A.87   at 6.07e+06
assign (resid  79 and name   HB ) (resid  80 and name   HN )  3.0  1.2  0.5 !* A.822  at 5.04e+06
assign (resid  79 and name  HG* ) (resid  80 and name   HN )  3.0  1.2  1.0 !   A.828  at 3.59e+06
assign (resid  79 and name   HB ) (resid  80 and name  HG* )  3.0  1.2  0.8 !   C.437  at 2.42e+06
assign (resid  79 and name   HN ) (resid  80 and name   HB )  4.0  2.2  1.0 !   A.1118 at 1.16e+06
assign (resid  79 and name   HN ) (resid  80 and name  HG* )  3.0  1.2  1.0 !   A.1152 at 2.64e+06
assign (resid  79 and name  HG* ) (resid  80 and name  HG* )  3.0  1.2  1.3 !   D.2118 at 1.73e+06
assign (resid  79 and name  HG* ) (resid  80 and name   HA )  3.0  1.2  0.8 !   C.583  at -2.80e+06
assign (resid  79 and name   HA ) (resid  81 and name   HN )  4.0  2.2  2.0 !   A.764  at 9.51e+05
assign (resid  79 and name   HN ) (resid  81 and name   HN )  4.0  2.2  1.0 !* A.186  at 2.04e+06
!assign (resid  79 and name   HA ) (resid  82 and name   HN )  3.0  1.2  0.5 !   A.855  at 3.18e+06
assign (resid  79 and name   HA ) (resid  82 and name  HE# )  4.0  2.2  2.0 !   C.285  at -9.12e+05
assign (resid  79 and name   HA ) (resid  82 and name  HB# )  3.0  1.2  0.3 !   D.2127 at 1.61e+06
assign (resid  79 and name   HA ) (resid  82 and name   HA )  4.0  2.2  2.0 !   D.2169 at 5.49e+05
assign (resid  79 and name   HA ) (resid  82 and name  HD# )  4.0  2.2  1.0 !   D.2168 at -7.90e+05
assign (resid  79 and name  HG* ) (resid  82 and name  HD# )  3.0  1.2  0.8 !   D.2194 at -1.45e+06
assign (resid  79 and name  HG* ) (resid  82 and name   HN )  4.0  2.2  2.5 !   A.848  at 5.21e+05
assign (resid  79 and name   HA ) (resid  82 and name  HD* )  4.0  2.2  1.5 !   D.2168 at -7.90e+05
assign (resid  79 and name  HG* ) (resid  83 and name   HN )  4.0  2.2  1.5 !   A.1215 at 1.18e+06

! 80
assign (resid  80 and name  HG* ) (resid  80 and name   HN )  2.5  0.7  0.9 !   A.829  at 1.18e+07
assign (resid  80 and name   HB ) (resid  80 and name   HN )  2.5  0.7  0.4 !   A.823  at 8.10e+06
assign (resid  80 and name   HA ) (resid  80 and name  HG* )  2.5  0.7  0.7 !   D.160  at 7.36e+06
assign (resid  80 and name   HB ) (resid  81 and name   HN )  2.5  0.7  0.4 !   A.770  at 6.12e+06
assign (resid  80 and name   HA ) (resid  81 and name   HN )  3.0  1.2  0.5 !   A.765  at 2.24e+06
assign (resid  80 and name  HG* ) (resid  81 and name   HN )  2.5  0.7  0.9 !   A.773  at 4.37e+06
assign (resid  80 and name   HN ) (resid  81 and name   HN )  2.5  0.7  0.4 !   A.89   at 8.66e+06
assign (resid  80 and name  HG* ) (resid  81 and name   HA )  2.5  0.7  0.7 !   D.2259 at 4.06e+06
assign (resid  80 and name  HG* ) (resid  81 and name  HB# )  4.0  2.2  1.5 !   D.2230 at 6.62e+05
assign (resid  80 and name   HA ) (resid  81 and name   HA )  4.0  2.2  2.0 !   D.576  at 4.63e+05
assign (resid  80 and name   HA ) (resid  82 and name   HN )  4.0  2.2  1.0 !   A.856  at 1.23e+06
!assign (resid  80 and name   HA ) (resid  83 and name   HN )  3.0  1.2  0.5 !   A.1210 at 2.64e+06
assign (resid  80 and name   HA ) (resid  83 and name  HG# )  4.0  2.2  1.0 !* D.158  at 1.86e+06
assign (resid  80 and name   HA ) (resid  83 and name  HB# )  3.0  1.2  0.3 !* D.157  at 2.36e+06
assign (resid  80 and name  HG* ) (resid  83 and name  HG# )  4.0  2.2  1.5 !* D.2245 at 1.02e+06
assign (resid  80 and name  HG* ) (resid  83 and name   HN )  4.0  2.2  1.5 !   A.2017 at 1.40e+06
assign (resid  80 and name   HA ) (resid  83 and name   HA )  4.0  2.2  2.0 !   D.154  at 4.88e+05
assign (resid  80 and name  HG* ) (resid  83 and name  HD# )  4.0  2.2  1.5 !   D.2357 at 7.52e+05
assign (resid  80 and name   HA ) (resid  83 and name  HD# )  3.0  1.2  0.3 !   D.3444 at 1.46e+06
!assign (resid  80 and name  HG* ) (resid  83 and name  HB# )  2.5  0.7  0.7 !   D.2353 at 2.19e+06
assign (resid  80 and name   HA ) (resid  84 and name   HN )  4.0  2.2  1.0 !   A.1845 at 1.03e+06
assign (resid  80 and name  HG* ) (resid  84 and name   HA )  4.0  2.2  2.5 !   D.2214 at 5.69e+05
assign (resid  80 and name  HG* ) (resid  84 and name   HB )  4.0  2.2  1.5 !* D.2235 at 1.29e+06

! 81
assign (resid  81 and name  HB# ) (resid  81 and name   HN )  2.5  0.7  0.4 !   A.768  at 9.00e+06
assign (resid  81 and name   HN ) (resid  82 and name   HN )  2.5  0.7  0.4 !   A.80   at 5.42e+06
assign (resid  81 and name   HA ) (resid  82 and name   HN )  3.0  1.2  0.5 !   A.853  at 2.56e+06
assign (resid  81 and name  HB# ) (resid  82 and name   HN )  3.0  1.2  0.5 !   A.861  at 3.09e+06
assign (resid  81 and name   HA ) (resid  83 and name   HN )  4.0  2.2  2.0 !   A.1178 at 8.31e+05
assign (resid  81 and name   HN ) (resid  83 and name  HB# )  4.0  2.2  2.0 !   A.771  at 6.51e+05
assign (resid  81 and name   HA ) (resid  84 and name   HB )  3.0  1.2  0.3 !* D.97   at 4.49e+06
assign (resid  81 and name  HB# ) (resid  84 and name   HB )  4.0  2.2  1.0 !   D.102  at 9.64e+05
assign (resid  81 and name   HA ) (resid  84 and name HG2# )  4.0  2.2  2.5 !   E.422  at -3.61e+05

! 82
assign (resid  82 and name  HD# ) (resid  82 and name   HN )  4.0  2.2  1.0 !* A.106  at 4.87e+06
assign (resid  82 and name  HB# ) (resid  82 and name   HN )  2.5  0.7  0.4 !   A.857  at 6.62e+06
assign (resid  82 and name  HD# ) (resid  82 and name  HB# )  2.5  0.7  0.2 !   C.44   at -4.22e+06
assign (resid  82 and name  HD# ) (resid  82 and name   HA )  3.0  1.2  0.3 !* C.48   at -4.46e+06
assign (resid  82 and name  HE# ) (resid  82 and name   HN )  4.0  2.2  2.0 !   A.136  at 5.68e+05
assign (resid  82 and name  HE# ) (resid  82 and name  HB# )  4.0  2.2  1.0 !   C.279  at -1.74e+06
assign (resid  82 and name  HE# ) (resid  82 and name   HA )  4.0  2.2  1.0 !* D.3401 at -1.20e+06
assign (resid  82 and name  HD# ) (resid  83 and name   HN )  2.5  0.7  0.4 !   A.211  at 4.67e+06
assign (resid  82 and name  HB# ) (resid  83 and name   HN )  3.0  1.2  0.5 !   A.1212 at 3.38e+06
!assign (resid  82 and name   HN ) (resid  83 and name   HN )  2.5  0.7  0.4 !   A.212  at 4.21e+06
assign (resid  82 and name  HE# ) (resid  83 and name   HN )  4.0  2.2  2.0 !   A.487  at 6.84e+05
assign (resid  82 and name  HD# ) (resid  83 and name   HA )  3.0  1.2  0.3 !   D.2282 at -1.10e+06
assign (resid  82 and name  HD# ) (resid  83 and name  HB# )  3.0  1.2  0.3 !   C.572  at -2.37e+06
assign (resid  82 and name   HN ) (resid  84 and name   HN )  4.0  2.2  1.0 !   A.434  at 1.04e+06
assign (resid  82 and name   HA ) (resid  84 and name   HN )  4.0  2.2  1.0 !   A.1843 at 1.26e+06
assign (resid  82 and name   HN ) (resid  85 and name   HN )  4.0  2.2  1.0 !   A.99   at 1.37e+06
!assign (resid  82 and name   HA ) (resid  85 and name  HB# )  2.5  0.7  0.2 !   D.2268 at 2.13e+06
assign (resid  82 and name   HA ) (resid  85 and name  HG# )  2.5  0.7  0.2 !   D.2267 at 2.03e+06
assign (resid  82 and name  HD# ) (resid  85 and name  HD# )  4.0  2.2  2.0 !   D.2295 at -4.44e+05
assign (resid  82 and name   HA ) (resid  85 and name  HD# )  4.0  2.2  1.0 !* D.2265 at 1.22e+06
assign (resid  82 and name  HE# ) (resid  85 and name  HD# )  4.0  2.2  2.0 !   D.2300 at -5.68e+05
assign (resid  82 and name  HD# ) (resid  85 and name  HG# )  3.0  1.2  0.3 !   D.2287 at -1.31e+06
assign (resid  82 and name  HD# ) (resid  86 and name   HN )  4.0  2.2  2.0 !   A.304  at 7.27e+05
assign (resid  82 and name  HD# ) (resid  86 and name  HG* )  2.5  0.7  0.7 !   D.2291 at -2.66e+06
!assign (resid  82 and name  HE# ) (resid  86 and name   HB )  3.0  1.2  0.3 !   D.2304 at -1.07e+06
assign (resid  82 and name  HE# ) (resid  86 and name  HG* )  2.5  0.7  0.7 !   D.2307 at -4.36e+06
assign (resid  82 and name  HB# ) (resid  86 and name  HG* )  3.0  1.2  0.8 !   D.2418 at 1.97e+06
assign (resid  82 and name   HA ) (resid  86 and name  HG* )  2.5  0.7  0.7 !   D.2410 at 2.20e+06
assign (resid  82 and name  HE# ) (resid  86 and name   HN )  4.0  2.2  2.0 !   A.303  at 4.58e+05
assign (resid  82 and name  HD# ) (resid  86 and name   HB )  4.0  2.2  1.0 !* C.40   at -2.76e+06
!assign (resid  82 and name  HD# ) (resid  87 and name  HB# )  4.0  2.2  2.0 !   C.39   at -9.47e+05
assign (resid  82 and name  HD# ) (resid  89 and name HD1# )  4.0  2.2  1.5 !   B.62   at 8.85e+05

! 83
assign (resid  83 and name  HG# ) (resid  83 and name   HN )  4.0  2.2  1.0 !* A.1214 at 2.89e+06
assign (resid  83 and name  HB# ) (resid  83 and name   HN )  2.5  0.7  0.4 !   A.1213 at 7.68e+06
assign (resid  83 and name   HA ) (resid  83 and name  HG# )  3.0  1.2  0.3 !* D.2330 at 3.66e+06
assign (resid  83 and name   HA ) (resid  83 and name  HD# )  4.0  2.2  1.0 !* D.2336 at 1.31e+06
assign (resid  83 and name  HB# ) (resid  83 and name   HE )  4.0  2.2  2.0 !   K.15   at -5.34e+05
assign (resid  83 and name   HN ) (resid  84 and name   HN )  2.5  0.7  0.4 !   A.205  at 4.90e+06
assign (resid  83 and name  HB# ) (resid  84 and name   HN )  2.5  0.7  0.4 !   A.1847 at 4.43e+06
assign (resid  83 and name  HD# ) (resid  84 and name   HN )  4.0  2.2  2.0 !   A.1846 at 9.24e+05
assign (resid  83 and name  HG# ) (resid  84 and name   HN )  3.0  1.2  0.5 !   A.1848 at 2.23e+06
assign (resid  83 and name   HA ) (resid  84 and name   HN )  3.0  1.2  0.5 !   A.1844 at 2.09e+06
assign (resid  83 and name  HD# ) (resid  84 and name HG2# )  3.0  1.2  0.8 !   D.2135 at 1.08e+06
assign (resid  83 and name  HB# ) (resid  84 and name   HB )  4.0  2.2  1.0 !   D.104  at 8.39e+05
assign (resid  83 and name  HG# ) (resid  84 and name   HA )  4.0  2.2  1.0 !   D.2374 at 8.30e+05
assign (resid  83 and name  HB# ) (resid  84 and name   HA )  4.0  2.2  1.0 !   D.2371 at 7.24e+05
assign (resid  83 and name   HN ) (resid  85 and name   HN )  4.0  2.2  2.0 !   A.98   at 8.23e+05
!assign (resid  83 and name   HA ) (resid  85 and name   HN )  4.0  2.2  1.0 !   A.805  at 1.07e+06
assign (resid  83 and name   HA ) (resid  86 and name   HN )  4.0  2.2  1.0 !   A.1493 at 1.72e+06
assign (resid  83 and name   HA ) (resid  86 and name  HG* )  3.0  1.2  1.5 !* D.2338 at 3.60e+06
assign (resid  83 and name   HA ) (resid  86 and name   HB )  4.0  2.2  1.0 !   D.2406 at 8.86e+05
!assign (resid  83 and name   HA ) (resid  87 and name   HN )  4.0  2.2  1.0 !   A.928  at 1.93e+06
assign (resid  83 and name   HA ) (resid  87 and name  HD* )  4.0  2.2  1.5 !* D.2456 at 2.73e+06
!assign (resid  83 and name   HA ) (resid  87 and name  HB# )  3.0  1.2  0.8 !* D.2329 at 2.33e+06
!assign (resid  83 and name  HB# ) (resid  87 and name  HB# )  4.0  2.2  2.0 !   D.1399 at 5.62e+05
assign (resid  83 and name  HG# ) (resid  87 and name  HD* )  3.0  1.2  0.8 !   D.3508 at 1.42e+06

! 84
assign (resid  84 and name HG2# ) (resid  84 and name   HN )  2.5  0.7  0.9 !   A.1851 at 5.33e+06
assign (resid  84 and name   HA ) (resid  84 and name HG2# )  2.5  0.7  0.7 !   D.2366 at 1.32e+07
assign (resid  84 and name HG2# ) (resid  85 and name   HN )  3.0  1.2  1.0 !   A.809  at 2.93e+06
assign (resid  84 and name   HN ) (resid  85 and name   HN )  2.5  0.7  0.4 !   A.97   at 7.05e+06
assign (resid  84 and name   HB ) (resid  85 and name  HG# )  4.0  2.2  1.0 !   D.2375 at 6.37e+05
assign (resid  84 and name HG2# ) (resid  85 and name   HA )  2.5  0.7  0.7 !   D.2380 at 2.15e+06
assign (resid  84 and name HG2# ) (resid  85 and name  HD# )  4.0  2.2  1.5 !* D.2144 at 1.58e+06
assign (resid  84 and name   HA ) (resid  85 and name   HN )  3.0  1.2  0.5 !* A.2067 at 4.69e+06
assign (resid  84 and name   HB ) (resid  85 and name   HN )  2.5  0.7  0.4 !   A.800  at 7.81e+06
assign (resid  84 and name   HN ) (resid  86 and name   HN )  4.0  2.2  1.0 !   A.306  at 1.25e+06
assign (resid  84 and name HG2# ) (resid  86 and name   HN )  4.0  2.2  2.5 !   A.1505 at 4.35e+05
assign (resid  84 and name   HN ) (resid  86 and name  HG* )  4.0  2.2  2.5 !   A.1852 at 5.25e+05
assign (resid  84 and name   HN ) (resid  87 and name   HN )  4.0  2.2  2.0 !   A.135  at 4.27e+05
assign (resid  84 and name   HA ) (resid  87 and name  HB# )  3.0  1.2  0.3 !   D.2364 at 1.76e+06
assign (resid  84 and name   HA ) (resid  87 and name  HD* )  3.0  1.2  0.8 !   D.2457 at 1.68e+06
assign (resid  84 and name   HN ) (resid  87 and name  HB# )  4.0  2.2  2.0 !   A.1850 at 7.79e+05
assign (resid  84 and name   HB ) (resid  87 and name  HD* )  4.0  2.2  1.5 !   D.2376 at 6.55e+05
assign (resid  84 and name   HB ) (resid  87 and name  HB# )  4.0  2.2  1.0 !   D.103  at 9.28e+05
assign (resid  84 and name   HA ) (resid  87 and name   HG )  4.0  2.2  1.0 !   D.2370 at 7.06e+05
assign (resid  84 and name   HB ) (resid  87 and name   HG )  4.0  2.2  2.0 !* D.2451 at 6.75e+05
!assign (resid  84 and name HG2# ) (resid  87 and name   HG )  3.0  1.2  0.8 !* D.2455 at 2.38e+06
assign (resid  84 and name HG2# ) (resid  87 and name  HD* )  2.5  0.7  1.2 !   D.2140 at 4.70e+06
assign (resid  84 and name   HA ) (resid  88 and name  HB# )  4.0  2.2  2.0 !   D.2372 at 5.94e+05

! 85
assign (resid  85 and name   HA ) (resid  85 and name  HD# )  4.0  2.2  1.0 !* D.2382 at 2.71e+06
assign (resid  85 and name  HD# ) (resid  85 and name   HN )  4.0  2.2  1.0 !* A.804  at 2.05e+06
assign (resid  85 and name  HG# ) (resid  85 and name   HN )  2.5  0.7  0.4 !   A.2097 at 8.56e+06
assign (resid  85 and name  HB# ) (resid  85 and name   HN )  2.5  0.7  0.4 !   A.2107 at 8.56e+06
assign (resid  85 and name   HN ) (resid  86 and name  HG* )  4.0  2.2  1.5 !   A.810  at 1.67e+06
assign (resid  85 and name   HA ) (resid  86 and name   HN )  3.0  1.2  0.5 !* A.1491 at 5.23e+06
assign (resid  85 and name  HD# ) (resid  86 and name   HA )  4.0  2.2  1.0 !   D.2402 at 6.05e+05
assign (resid  85 and name  HD# ) (resid  86 and name  HG* )  3.0  1.2  0.8 !   D.2415 at 1.33e+06
assign (resid  85 and name   HA ) (resid  86 and name  HG* )  4.0  2.2  1.5 !* D.2412 at 2.69e+06
assign (resid  85 and name  HG# ) (resid  86 and name  HG* )  2.5  0.7  0.7 !   D.2421 at 2.90e+06
assign (resid  85 and name   HN ) (resid  86 and name   HB )  4.0  2.2  1.0 !* A.2098 at 8.56e+06
assign (resid  85 and name  HB# ) (resid  87 and name   HN )  4.0  2.2  1.0 !* A.936  at 1.08e+07
assign (resid  85 and name   HA ) (resid  87 and name   HN )  4.0  2.2  1.0 !* A.929  at 2.68e+06
!assign (resid  85 and name   HA ) (resid  88 and name   HN )  3.0  1.2  0.5 !* A.1987 at 5.43e+06
!assign (resid  85 and name   HA ) (resid  88 and name  HB# )  2.5  0.7  0.2 !   D.2384 at 2.84e+06
assign (resid  85 and name  HD# ) (resid  88 and name  HB# )  4.0  2.2  2.0 !* D.2471 at 1.78e+06

! 86
assign (resid  86 and name   HB ) (resid  86 and name   HN )  2.5  0.7  0.4 !   A.1504 at 1.29e+07
assign (resid  86 and name  HG* ) (resid  86 and name   HN )  2.5  0.7  0.9 !   A.1506 at 1.31e+07
assign (resid  86 and name   HA ) (resid  86 and name  HG* )  2.5  0.7  0.7 !   D.2397 at 1.62e+07
assign (resid  86 and name   HA ) (resid  87 and name   HN )  3.0  1.2  0.5 !* A.927  at 5.31e+06
assign (resid  86 and name  HG* ) (resid  87 and name   HN )  2.5  0.7  0.9 !   A.947  at 4.57e+06
assign (resid  86 and name   HN ) (resid  87 and name   HN )  2.5  0.7  0.4 !   A.134  at 7.55e+06
assign (resid  86 and name  HG* ) (resid  87 and name  HB# )  4.0  2.2  1.5 !* D.2416 at 1.81e+06
assign (resid  86 and name   HN ) (resid  87 and name  HB# )  4.0  2.2  1.0 !* A.1484 at 2.85e+06
!assign (resid  86 and name   HB ) (resid  87 and name   HN )  2.5  0.7  0.4 !   A.2101 at 1.08e+07
assign (resid  86 and name  HG* ) (resid  88 and name   HN )  4.0  2.2  2.5 !   A.1275 at 9.87e+05
assign (resid  86 and name   HN ) (resid  88 and name   HN )  4.0  2.2  1.0 !   A.238  at 1.91e+06
assign (resid  86 and name   HA ) (resid  88 and name   HN )  4.0  2.2  1.0 !   A.1263 at 1.05e+06
assign (resid  86 and name  HG* ) (resid  89 and name   HN )  4.0  2.2  1.5 !   A.986  at 1.71e+06
assign (resid  86 and name   HA ) (resid  89 and name   HN )  3.0  1.2  0.5 !   A.956  at 2.27e+06
assign (resid  86 and name   HA ) (resid  89 and name HD1# )  2.5  0.7  0.7 !   D.2399 at 2.48e+06
assign (resid  86 and name   HA ) (resid  89 and name   HB )  3.0  1.2  0.3 !   D.2400 at 1.68e+06
assign (resid  86 and name   HA ) (resid  89 and name HG1# )  3.0  1.2  0.3 !* D.2401 at 2.08e+06
assign (resid  86 and name  HG* ) (resid  89 and name   HB )  3.0  1.2  0.8 !   D.2488 at 1.03e+06
assign (resid  86 and name  HG* ) (resid  89 and name HG2# )  3.0  1.2  1.3 !   D.2427 at 1.31e+06
assign (resid  86 and name  HG* ) (resid  89 and name HD1# )  2.5  0.7  1.2 !   D.2424 at 2.45e+06
assign (resid  86 and name  HG* ) (resid  89 and name HG1# )  3.0  1.2  0.8 !   D.3283 at 1.45e+06
assign (resid  86 and name  HG* ) (resid  90 and name   HA )  4.0  2.2  1.5 !* D.1791 at 2.85e+06

! 87
assign (resid  87 and name  HB# ) (resid  87 and name   HN )  2.5  0.7  0.4 !   A.937  at 1.27e+07
assign (resid  87 and name   HA ) (resid  87 and name  HD* )  2.5  0.7  0.7 !   D.2443 at 1.10e+07
assign (resid  87 and name   HA ) (resid  87 and name   HG )  4.0  2.2  1.0 !* D.2445 at 4.03e+06
assign (resid  87 and name  HB# ) (resid  87 and name  HD* )  2.5  0.7  0.7 !   D.1397 at 4.97e+06
assign (resid  87 and name  HD* ) (resid  87 and name   HN )  3.0  1.2  1.0 !   A.2035 at 2.87e+06
assign (resid  87 and name   HN ) (resid  88 and name   HN )  2.5  0.7  0.4 !   A.133  at 7.16e+06
assign (resid  87 and name  HD* ) (resid  88 and name   HN )  4.0  2.2  1.5 !   A.1277 at 1.74e+06
assign (resid  87 and name   HA ) (resid  88 and name   HN )  3.0  1.2  0.5 !* A.1262 at 1.78e+07
assign (resid  87 and name  HB# ) (resid  88 and name   HN )  2.5  0.7  0.4 !   A.1276 at 5.03e+06
assign (resid  87 and name  HB# ) (resid  88 and name  HB# )  4.0  2.2  1.0 !   D.2569 at 6.78e+05
assign (resid  87 and name   HN ) (resid  89 and name   HN )  4.0  2.2  2.0 !   A.143  at 7.62e+05
assign (resid  87 and name  HB# ) (resid  89 and name HG2# )  4.0  2.2  2.5 !   D.2450 at 5.34e+05
assign (resid  87 and name  HB# ) (resid  89 and name HD1# )  4.0  2.2  2.5 !   D.1401 at 4.93e+05
!assign (resid  87 and name   HA ) (resid  90 and name  HB# )  3.0  1.2  0.3 !   D.2506 at 1.54e+06
!assign (resid  87 and name  HB# ) (resid  90 and name  HB# )  4.0  2.2  1.0 !* D.2510 at 1.60e+06
!assign (resid  87 and name  HD* ) (resid  90 and name  HB# )  3.0  1.2  0.8 !   D.2403 at 1.14e+06
!assign (resid  87 and name  HD* ) (resid  92 and name  HG# )  3.0  1.2  0.8 !   D.1098 at 1.16e+06

! 88
assign (resid  88 and name  HE# ) (resid  88 and name   HN )  4.0  2.2  2.0 !   A.1265 at 4.94e+05
assign (resid  88 and name  HB# ) (resid  88 and name   HN )  2.5  0.7  0.4 !   A.1272 at 1.24e+07
assign (resid  88 and name  HG# ) (resid  88 and name   HN )  4.0  2.2  1.0 !* A.1273 at 3.67e+06
assign (resid  88 and name  HD# ) (resid  88 and name   HA )  3.0  1.2  0.3 !* D.2474 at 8.59e+06
assign (resid  88 and name  HD# ) (resid  88 and name  HB# )  2.5  0.7  0.2 !   E.46   at 1.60e+06
assign (resid  88 and name  HG# ) (resid  89 and name   HN )  4.0  2.2  1.0 !   A.982  at 1.35e+06
assign (resid  88 and name   HA ) (resid  89 and name   HN )  3.0  1.2  0.5 !* A.954  at 1.38e+07
assign (resid  88 and name   HN ) (resid  89 and name   HN )  2.5  0.7  0.4 !   A.142  at 6.47e+06
assign (resid  88 and name  HD# ) (resid  89 and name   HN )  4.0  2.2  1.0 !   A.983  at 1.61e+06
assign (resid  88 and name  HG# ) (resid  89 and name   HB )  4.0  2.2  2.0 !* D.2489 at 8.47e+05
assign (resid  88 and name   HN ) (resid  90 and name   HN )  4.0  2.2  2.0 !   A.235  at 6.21e+05
assign (resid  88 and name  HG# ) (resid  91 and name  HG# )  3.0  1.2  0.3 !   D.3107 at 1.59e+06

! 89
!assign (resid  89 and name HD1# ) (resid  89 and name   HN )  2.5  0.7  0.9 !   A.985  at 4.03e+06
assign (resid  89 and name HG2# ) (resid  89 and name   HN )  2.5  0.7  0.9 !   A.984  at 4.59e+06
assign (resid  89 and name   HB ) (resid  89 and name   HN )  2.5  0.7  0.4 !   A.980  at 1.63e+07
assign (resid  89 and name HG1# ) (resid  89 and name   HN )  3.0  1.2  0.5 !* A.979  at 4.14e+06
assign (resid  89 and name   HA ) (resid  89 and name HD1# )  3.0  1.2  0.8 !* D.2482 at 5.37e+06
assign (resid  89 and name   HA ) (resid  89 and name HG2# )  2.5  0.7  0.7 !   D.2483 at 1.46e+07
assign (resid  89 and name   HB ) (resid  89 and name HD1# )  2.5  0.7  0.7 !   D.2490 at 1.08e+07
assign (resid  89 and name HG1# ) (resid  89 and name   HA )  2.5  0.7  0.2 !   D.2491 at 4.72e+06
assign (resid  89 and name   HN ) (resid  90 and name   HN )  3.0  1.2  0.5 !   A.141  at 3.99e+06
assign (resid  89 and name HG1# ) (resid  90 and name   HN )  4.0  2.2  1.0 !   A.1205 at 1.10e+06
assign (resid  89 and name   HB ) (resid  90 and name   HN )  3.0  1.2  0.5 !   A.1204 at 3.96e+06
assign (resid  89 and name   HA ) (resid  90 and name   HN )  3.0  1.2  0.5 !* A.1202 at 1.35e+07
assign (resid  89 and name HG2# ) (resid  90 and name   HN )  2.5  0.7  0.9 !   A.1207 at 4.15e+06
!assign (resid  89 and name HD1# ) (resid  90 and name   HN )  3.0  1.2  1.0 !   A.1208 at 3.17e+06
assign (resid  89 and name HG2# ) (resid  90 and name  HB# )  3.0  1.2  0.8 !   D.2514 at 1.89e+06
assign (resid  89 and name HG2# ) (resid  91 and name   HN )  4.0  2.2  2.5 !   A.695  at 7.36e+05
assign (resid  89 and name   HA ) (resid  91 and name   HN )  4.0  2.2  2.0 !   A.691  at 6.11e+05
!assign (resid  89 and name   HA ) (resid  91 and name  HB# )  4.0  2.2  1.0 !* D.2480 at 1.95e+06
!assign (resid  89 and name   HA ) (resid  91 and name  HG# )  3.0  1.2  0.3 !   D.2481 at 1.08e+06

! 90
assign (resid  90 and name  HB# ) (resid  90 and name   HN )  2.5  0.7  0.4 !   A.1203 at 7.35e+06
assign (resid  90 and name  HB# ) (resid  91 and name   HN )  3.0  1.2  0.5 !   A.692  at 3.15e+06
assign (resid  90 and name   HA ) (resid  91 and name   HN )  2.5  0.7  0.4 !   A.689  at 1.02e+07
assign (resid  90 and name   HN ) (resid  91 and name   HN )  3.0  1.2  0.5 !* A.56   at 6.38e+06
assign (resid  90 and name  HB# ) (resid  91 and name  HB# )  4.0  2.2  2.0 !* D.3190 at 1.64e+06
!assign (resid  90 and name   HA ) (resid  92 and name   HN )  4.0  2.2  1.0 !* A.1084 at 2.08e+06
!assign (resid  90 and name  HB# ) (resid  92 and name   HN )  4.0  2.2  1.0 !   A.1086 at 1.82e+06
!assign (resid  90 and name  HB# ) (resid  92 and name  HG# )  2.5  0.7  0.2 !   D.3008 at 2.23e+06
{
! 91
assign (resid  91 and name  HB# ) (resid  91 and name   HN )  2.5  0.7  0.4 !   A.696  at 6.15e+06
assign (resid  91 and name  HG# ) (resid  91 and name   HN )  3.0  1.2  0.5 !   A.700  at 2.29e+06
assign (resid  91 and name   HA ) (resid  91 and name  HG# )  2.5  0.7  0.2 !   D.3447 at 1.41e+07
assign (resid  91 and name   HN ) (resid  92 and name   HN )  4.0  2.2  1.0 !* A.171  at 8.38e+06

! 92
assign (resid  92 and name  HG# ) (resid  92 and name   HN )  2.5  0.7  0.4 !   A.1088 at 7.15e+06
assign (resid  92 and name  HB# ) (resid  92 and name   HN )  2.5  0.7  0.4 !   A.1120 at 9.73e+06
assign (resid  92 and name   HA ) (resid  92 and name  HG# )  2.5  0.7  0.2 !   E.284  at -2.84e+06
assign (resid  92 and name  HB# ) (resid  93 and name   HN )  3.0  1.2  0.5 !* A.887  at 9.67e+06
!assign (resid  92 and name   HA ) (resid  95 and name  HB# )  4.0  2.2  1.0 !* D.2553 at 1.38e+06
!assign (resid  92 and name  HB# ) (resid  95 and name  HB# )  3.0  1.2  0.3 !   D.3164 at 1.14e+06
assign (resid  92 and name  HB# ) (resid  95 and name   HN )  4.0  2.2  1.0 !* A.749  at 3.42e+06
assign (resid  92 and name  HB# ) (resid  95 and name  HD* )  2.5  0.7  0.7 !   D.2462 at 4.10e+06
!assign (resid  92 and name  HG# ) (resid  95 and name  HB# )  4.0  2.2  1.0 !   D.2555 at 7.40e+05
!assign (resid  92 and name  HG# ) (resid  95 and name  HD* )  2.5  0.7  0.7 !   D.2460 at 3.02e+06
assign (resid  92 and name   HN ) (resid  95 and name  HD* )  4.0  2.2  1.5 !   A.2103 at 1.05e+06

! 93
assign (resid  93 and name  HB# ) (resid  93 and name   HN )  2.5  0.7  0.4 !   A.1015 at 1.59e+07
assign (resid  93 and name   HA ) (resid  94 and name   HN )  3.0  1.2  0.5 !* A.994  at 2.15e+07
assign (resid  93 and name   HA ) (resid  94 and name  HG# )  4.0  2.2  1.0 !   C.621  at -1.25e+06
assign (resid  93 and name   HA ) (resid  95 and name   HN )  4.0  2.2  1.0 !* A.738  at 2.09e+06
assign (resid  93 and name  HB# ) (resid  95 and name   HN )  4.0  2.2  1.0 !   A.746  at 1.32e+06
!assign (resid  93 and name   HA ) (resid  97 and name HG2# )  4.0  2.2  1.5 !* D.3490 at 1.19e+06

! 94
assign (resid  94 and name   HA ) (resid  94 and name  HG# )  2.5  0.7  0.2 !   D.1085 at 2.47e+07
assign (resid  94 and name  HG# ) (resid  94 and name   HN )  2.5  0.7  0.4 !   A.1014 at 2.04e+07
assign (resid  94 and name   HA ) (resid  95 and name   HN )  3.0  1.2  0.5 !* A.737  at 2.93e+07
assign (resid  94 and name  HG# ) (resid  95 and name   HN )  4.0  2.2  1.0 !   A.747  at 1.65e+06
!assign (resid  94 and name   HN ) (resid  95 and name   HN )  2.5  0.7  0.4 !   A.165  at 1.78e+08
!assign (resid  94 and name   HA ) (resid  97 and name   HB )  4.0  2.2  1.0 !* D.2520 at 1.49e+06
!assign (resid  94 and name  HB# ) (resid  97 and name HG2# )  2.5  0.7  0.7 !   D.3413 at 2.99e+06
assign (resid  94 and name   HA ) (resid  98 and name  HE# )  4.0  2.2  2.0 !   E.449  at -3.49e+05

! 95
assign (resid  95 and name  HD* ) (resid  95 and name   HN )  3.0  1.2  1.0 !   A.752  at 2.96e+06
assign (resid  95 and name   HA ) (resid  95 and name   HG )  3.0  1.2  0.3 !* D.2548 at 4.63e+06
assign (resid  95 and name   HA ) (resid  95 and name  HD* )  2.5  0.7  0.7 !   D.2549 at 1.04e+07
assign (resid  95 and name  HB# ) (resid  95 and name  HD* )  2.5  0.7  0.7 !   D.2557 at 9.54e+06
assign (resid  95 and name  HB# ) (resid  95 and name   HN )  2.5  0.7  0.4 !   A.2031 at 1.66e+07
!assign (resid  95 and name   HN ) (resid  96 and name   HN )  2.5  0.7  0.4 !   A.75   at 1.88e+07
assign (resid  95 and name  HB# ) (resid  96 and name   HN )  3.0  1.2  0.5 !   A.1090 at 3.69e+06
assign (resid  95 and name  HD* ) (resid  96 and name   HN )  3.0  1.2  1.0 !   A.1092 at 2.56e+06
assign (resid  95 and name   HN ) (resid  97 and name   HN )  4.0  2.2  2.0 !   A.397  at 9.06e+05
assign (resid  95 and name  HB# ) (resid  97 and name   HN )  4.0  2.2  2.0 !   A.1751 at 5.04e+05

! 96
assign (resid  96 and name   HN ) (resid  97 and name   HN )  3.0  1.2  0.5 !   A.164  at 2.34e+06
assign (resid  96 and name  HB# ) (resid  97 and name   HN )  4.0  2.2  1.0 !   A.1749 at 1.16e+06
assign (resid  96 and name   HA ) (resid  97 and name   HN )  3.0  1.2  0.5 !* A.1734 at 7.17e+06
assign (resid  96 and name  HB# ) (resid  97 and name   HA )  4.0  2.2  1.0 !   D.2641 at 8.01e+05
assign (resid  96 and name   HA ) (resid  97 and name HG2# )  4.0  2.2  1.5 !* D.2143 at 1.41e+06
assign (resid  96 and name  HB# ) (resid  98 and name   HN )  4.0  2.2  2.0 !   A.732  at 6.74e+05
assign (resid  96 and name   HA ) (resid  98 and name   HN )  4.0  2.2  2.0 !* A.729  at 1.16e+06
assign (resid  96 and name   HA ) (resid  98 and name  HD# )  4.0  2.2  1.0 !   D.2723 at 6.29e+05

! 97
assign (resid  97 and name HG2# ) (resid  97 and name   HN )  3.0  1.2  1.0 !   A.1746 at 3.80e+06
assign (resid  97 and name   HA ) (resid  97 and name HG2# )  2.5  0.7  0.7 !   D.2608 at 1.98e+07
assign (resid  97 and name   HB ) (resid  97 and name   HN )  3.0  1.2  0.5 !   A.2105 at 3.79e+06
assign (resid  97 and name HG2# ) (resid  98 and name   HN )  4.0  2.2  2.5 !   A.734  at 7.06e+05
assign (resid  97 and name   HN ) (resid  98 and name   HN )  4.0  2.2  1.0 !* A.71   at 2.80e+06
assign (resid  97 and name   HA ) (resid  98 and name  HB# )  4.0  2.2  2.0 !   D.2609 at 5.19e+05
assign (resid  97 and name HG2# ) (resid  98 and name  HE# )  4.0  2.2  1.5 !* D.2729 at 4.22e+06
assign (resid  97 and name   HA ) (resid  98 and name  HG# )  4.0  2.2  2.0 !   C.619  at -7.33e+05
!assign (resid  97 and name   HA ) (resid  99 and name  HB# )  4.0  2.2  1.0 !   C.620  at -1.16e+06

! 98
assign (resid  98 and name  HB# ) (resid  98 and name   HN )  2.5  0.7  0.4 !   A.733  at 6.21e+06
assign (resid  98 and name  HG# ) (resid  98 and name   HN )  4.0  2.2  1.0 !   A.744  at 1.71e+06
assign (resid  98 and name  HE# ) (resid  98 and name  HG# )  2.5  0.7  0.2 !   D.2728 at 3.03e+07
assign (resid  98 and name  HB# ) (resid  98 and name  HE# )  3.0  1.2  0.3 !* D.2709 at 3.77e+06
assign (resid  98 and name  HD# ) (resid  98 and name   HA )  4.0  2.2  1.0 !* D.2722 at 3.75e+06
assign (resid  98 and name  HD# ) (resid  98 and name  HB# )  2.5  0.7  0.2 !   D.3435 at 2.92e+07
!assign (resid  98 and name  HB# ) (resid  99 and name  HD* )  2.5  0.7  0.7 !   D.2469 at 3.06e+06
assign (resid  98 and name  HB# ) (resid 100 and name   HN )  4.0  2.2  2.0 !   A.1761 at 4.27e+05
!assign (resid  98 and name  HE# ) (resid 106 and name  HB# )  4.0  2.2  1.0 !   E.28   at 9.27e+05
!assign (resid  98 and name  HD# ) (resid 106 and name  HB# )  2.5  0.7  0.2 !   E.25   at 5.74e+06
!assign (resid  98 and name  HE# ) (resid 109 and name  HG# )  2.5  0.7  0.2 !   E.27   at 3.53e+06

! 99
assign (resid  99 and name   HA ) (resid  99 and name  HD* )  2.5  0.7  0.7 !   D.2738 at 4.61e+06
assign (resid  99 and name  HB# ) (resid  99 and name  HD* )  2.5  0.7  0.7 !   D.2567 at 1.11e+07
assign (resid  99 and name  HB# ) (resid  99 and name   HN )  2.5  0.7  0.4 !   A.1082 at 5.29e+06
assign (resid  99 and name   HA ) (resid  99 and name   HG )  3.0  1.2  0.3 !* D.3457 at 1.13e+07
assign (resid  99 and name  HB# ) (resid 100 and name   HN )  4.0  2.2  2.0 !   A.1763 at 9.34e+05
assign (resid  99 and name   HA ) (resid 100 and name   HN )  3.0  1.2  0.5 !   A.2019 at 3.76e+06
assign (resid  99 and name  HD* ) (resid 100 and name   HB )  4.0  2.2  2.5 !   D.49   at 5.68e+05
assign (resid  99 and name  HB# ) (resid 100 and name HG2# )  3.0  1.2  1.5 !* D.2145 at 3.75e+06
assign (resid  99 and name  HB# ) (resid 100 and name   HA )  4.0  2.2  1.0 !* D.2616 at 1.49e+06
assign (resid  99 and name  HB# ) (resid 100 and name   HB )  4.0  2.2  2.0 !   D.3397 at 4.72e+05
assign (resid  99 and name   HA ) (resid 100 and name HG2# )  3.0  1.2  0.8 !   D.2447 at 1.55e+06
assign (resid  99 and name  HB# ) (resid 102 and name   HB )  4.0  2.2  1.0 !   D.2793 at 7.23e+05
assign (resid  99 and name  HB# ) (resid 102 and name   HN )  4.0  2.2  1.0 !   A.634  at 1.66e+06
!assign (resid  99 and name   HA ) (resid 102 and name HD1# )  3.0  1.2  0.8 !   D.2739 at 1.42e+06
!assign (resid  99 and name  HB# ) (resid 102 and name HG1# )  2.5  0.7  0.2 !   D.3464 at 2.07e+06
assign (resid  99 and name  HD* ) (resid 102 and name HD1# )  2.5  0.7  1.2 !   D.3461 at 7.00e+06
!assign (resid  99 and name  HD* ) (resid 102 and name   HB )  2.5  0.7  0.7 !   C.600  at 1.18e+07

! 100
assign (resid 100 and name HG2# ) (resid 100 and name   HN )  4.0  2.2  1.5 !   A.1764 at 1.71e+06
assign (resid 100 and name HG2# ) (resid 100 and name   HA )  2.5  0.7  0.7 !   D.2142 at 1.36e+07
assign (resid 100 and name   HA ) (resid 101 and name   HN )  3.0  1.2  0.5 !   A.674  at 2.10e+06
assign (resid 100 and name   HB ) (resid 101 and name   HA )  4.0  2.2  1.0 !   D.2753 at 6.66e+05
!assign (resid 100 and name   HB ) (resid 101 and name  HG# )  3.0  1.2  0.3 !   D.88   at 1.21e+06
assign (resid 100 and name HG2# ) (resid 101 and name  HD# )  2.5  0.7  0.7 !   D.2392 at 2.10e+06
assign (resid 100 and name   HB ) (resid 102 and name HD1# )  4.0  2.2  1.5 !   D.89   at 6.42e+05
assign (resid 100 and name   HA ) (resid 102 and name HD1# )  4.0  2.2  1.5 !   D.2612 at 6.98e+05
!assign (resid 100 and name HG2# ) (resid 102 and name HD1# )  2.5  0.7  1.2 !   D.3137 at 4.29e+06
assign (resid 100 and name   HA ) (resid 102 and name HG1# )  4.0  2.2  1.5 !* D.3462 at 1.83e+06

! 101
assign (resid 101 and name  HB# ) (resid 101 and name   HN )  4.0  2.2  2.0 !   A.679  at 6.32e+05
assign (resid 101 and name  HD# ) (resid 101 and name  HB# )  2.5  0.7  0.2 !   D.2394 at 2.53e+07
assign (resid 101 and name  HD# ) (resid 101 and name   HA )  3.0  1.2  0.3 !* D.2776 at 4.70e+06
assign (resid 101 and name  HG# ) (resid 101 and name   HA )  3.0  1.2  0.3 !* D.2452 at 1.15e+07
assign (resid 101 and name   HA ) (resid 102 and name   HN )  3.0  1.2  0.5 !* A.626  at 1.71e+07
assign (resid 101 and name  HG# ) (resid 102 and name   HN )  4.0  2.2  1.0 !   A.639  at 1.83e+06
assign (resid 101 and name  HD# ) (resid 102 and name   HN )  4.0  2.2  2.0 !   A.632  at 3.45e+05
assign (resid 101 and name   HA ) (resid 102 and name   HB )  4.0  2.2  1.0 !   D.2942 at 8.09e+05
assign (resid 101 and name  HB# ) (resid 102 and name   HA )  4.0  2.2  1.0 !* D.2388 at 2.83e+06
!assign (resid 101 and name  HD# ) (resid 102 and name HD1# )  3.0  1.2  0.8 !   D.2825 at 1.75e+06
assign (resid 101 and name   HA ) (resid 103 and name  HD# )  4.0  2.2  1.0 !   D.2752 at 8.35e+05

! 102
assign (resid 102 and name   HB ) (resid 102 and name   HN )  3.0  1.2  0.5 !* A.633  at 8.89e+06
assign (resid 102 and name HG1# ) (resid 102 and name   HN )  3.0  1.2  0.5 !   A.635  at 3.74e+06
assign (resid 102 and name HG2# ) (resid 102 and name   HN )  4.0  2.2  1.5 !   A.637  at 1.75e+06
assign (resid 102 and name HD1# ) (resid 102 and name   HN )  4.0  2.2  1.5 !   A.638  at 1.75e+06
assign (resid 102 and name   HA ) (resid 102 and name HD1# )  2.5  0.7  0.7 !   D.1793 at 3.14e+06
assign (resid 102 and name   HA ) (resid 102 and name HG2# )  2.5  0.7  0.7 !   D.1794 at 9.32e+06
assign (resid 102 and name   HA ) (resid 102 and name HG1# )  3.0  1.2  0.5 !* D.1797 at 6.92e+06
assign (resid 102 and name   HB ) (resid 102 and name HD1# )  2.5  0.7  0.7 !   D.2791 at 1.42e+07
assign (resid 102 and name   HN ) (resid 103 and name  HD# )  4.0  2.2  2.0 !   A.630  at 6.25e+05
assign (resid 102 and name   HA ) (resid 103 and name  HD# )  2.5  0.7  0.2 !   D.2780 at 3.03e+07
assign (resid 102 and name HG2# ) (resid 103 and name  HD# )  3.0  1.2  0.8 !* D.1026 at 2.93e+06
!assign (resid 102 and name HD1# ) (resid 103 and name  HD# )  3.0  1.2  0.8 !   D.2853 at 1.10e+06
assign (resid 102 and name   HB ) (resid 103 and name  HD# )  4.0  2.2  1.0 !* D.2851 at 2.45e+06
assign (resid 102 and name HG2# ) (resid 103 and name  HB# )  4.0  2.2  1.5 !   D.2843 at 8.69e+05
assign (resid 102 and name HD1# ) (resid 103 and name  HB# )  4.0  2.2  2.5 !* D.2842 at 9.61e+05
assign (resid 102 and name HG1# ) (resid 103 and name  HD# )  4.0  2.2  1.0 !   D.2775 at 8.94e+05
assign (resid 102 and name HG2# ) (resid 103 and name   HA )  4.0  2.2  1.5 !   D.2603 at 6.85e+05
assign (resid 102 and name HD1# ) (resid 103 and name   HA )  4.0  2.2  2.5 !   D.2638 at 4.96e+05
assign (resid 102 and name   HA ) (resid 103 and name  HB# )  4.0  2.2  1.0 !* D.1798 at 2.05e+06
assign (resid 102 and name   HB ) (resid 103 and name  HB# )  4.0  2.2  2.0 !* D.2789 at 7.46e+05
assign (resid 102 and name   HA ) (resid 103 and name  HG# )  4.0  2.2  1.0 !* D.3510 at 1.35e+06
assign (resid 102 and name HG1# ) (resid 104 and name   HN )  4.0  2.2  1.0 !* A.2048 at 2.95e+06
assign (resid 102 and name   HB ) (resid 105 and name  HB# )  3.0  1.2  0.8 !   D.2861 at 1.40e+06
assign (resid 102 and name HD1# ) (resid 105 and name  HB# )  3.0  1.2  1.3 !   D.2867 at 1.36e+06
assign (resid 102 and name HG1# ) (resid 105 and name  HB# )  3.0  1.2  0.8 !   D.2863 at 1.26e+06
assign (resid 102 and name HG2# ) (resid 105 and name   HA )  4.0  2.2  2.5 !   D.3519 at 4.10e+05
assign (resid 102 and name   HA ) (resid 106 and name  HG# )  4.0  2.2  1.0 !* D.1796 at 1.44e+06
!assign (resid 102 and name HD1# ) (resid 106 and name  HB# )  3.0  1.2  0.8 !   D.2885 at 1.21e+06
assign (resid 102 and name   HB ) (resid 106 and name  HD# )  4.0  2.2  2.0 !   D.2941 at 9.99e+05
!assign (resid 102 and name HG2# ) (resid 106 and name  HB# )  3.0  1.2  0.8 !   D.2887 at 1.13e+06
!assign (resid 102 and name HD1# ) (resid 106 and name  HG# )  2.5  0.7  0.7 !   D.2826 at 3.24e+06
assign (resid 102 and name HG2# ) (resid 106 and name  HG# )  2.5  0.7  0.7 !   C.614  at 3.35e+06

! 103
assign (resid 103 and name   HA ) (resid 103 and name  HD# )  3.0  1.2  0.3 !* D.2599 at 3.22e+06
assign (resid 103 and name   HA ) (resid 103 and name  HG# )  3.0  1.2  0.3 !* D.2597 at 9.88e+06
assign (resid 103 and name  HD# ) (resid 103 and name  HB# )  2.5  0.7  0.2 !   D.3076 at 4.54e+06
assign (resid 103 and name   HA ) (resid 104 and name   HA )  4.0  2.2  1.0 !   D.2639 at 8.88e+05
assign (resid 103 and name  HB# ) (resid 104 and name   HA )  4.0  2.2  2.0 !   D.2829 at 5.46e+05
assign (resid 103 and name   HA ) (resid 105 and name  HB# )  4.0  2.2  1.5 !   D.2870 at 9.09e+05
assign (resid 103 and name   HA ) (resid 106 and name  HB# )  4.0  2.2  1.0 !   D.2876 at 8.75e+05
!assign (resid 103 and name   HA ) (resid 108 and name  HE# )  4.0  2.2  2.0 !   D.2316 at -5.87e+05
assign (resid 103 and name   HA ) (resid 108 and name  HB# )  4.0  2.2  2.0 !   D.2899 at 4.76e+05

! 104
assign (resid 104 and name   HA ) (resid 105 and name  HB# )  4.0  2.2  1.5 !* D.2857 at 1.16e+06

! 105
assign (resid 105 and name   HA ) (resid 106 and name   HN )  4.0  2.2  1.0 !   A.1083 at 1.43e+06
assign (resid 105 and name  HB# ) (resid 106 and name  HB# )  4.0  2.2  1.5 !   D.2883 at 9.50e+05
assign (resid 105 and name   HA ) (resid 106 and name  HB# )  4.0  2.2  2.0 !* D.2655 at 6.46e+05
assign (resid 105 and name   HA ) (resid 106 and name  HG# )  4.0  2.2  1.0 !   D.2651 at 7.57e+05
assign (resid 105 and name  HB# ) (resid 106 and name  HD# )  4.0  2.2  1.5 !   D.2865 at 6.30e+05
assign (resid 105 and name  HB# ) (resid 106 and name  HG# )  3.0  1.2  0.8 !   D.3524 at 1.21e+06
assign (resid 105 and name  HB# ) (resid 106 and name   HA )  3.0  1.2  0.8 !   D.2856 at 1.03e+06
!assign (resid 105 and name  HB# ) (resid 107 and name  HG# )  4.0  2.2  1.5 !* D.2864 at 1.40e+06

! 106
assign (resid 106 and name  HB# ) (resid 106 and name  HD# )  2.5  0.7  0.2 !   D.2881 at 1.64e+07
assign (resid 106 and name  HB# ) (resid 106 and name  HE# )  2.5  0.7  0.2 !   D.3469 at 2.88e+06

! 107
assign (resid 107 and name  HG# ) (resid 107 and name   HA )  2.5  0.7  0.2 !   D.2892 at 4.66e+06
!assign (resid 107 and name  HB# ) (resid 108 and name  HD# )  3.0  1.2  0.3 !   D.2619 at -1.28e+06
assign (resid 107 and name  HB# ) (resid 108 and name  HE# )  4.0  2.2  1.0 !* C.254  at -3.39e+06
assign (resid 107 and name   HA ) (resid 108 and name  HD# )  3.0  1.2  0.3 !   D.2023 at -1.04e+06
assign (resid 107 and name  HE# ) (resid 108 and name  HE# )  3.0  1.2  0.3 !   D.3468 at -1.98e+06
assign (resid 107 and name  HB# ) (resid 108 and name   HA )  4.0  2.2  1.0 !   D.2875 at 9.32e+05
assign (resid 107 and name  HB# ) (resid 108 and name  HB# )  4.0  2.2  1.0 !   D.2879 at 7.00e+05

! 108
assign (resid 108 and name  HB# ) (resid 108 and name   HN )  4.0  2.2  1.0 !   A.889  at 1.18e+06
assign (resid 108 and name  HD# ) (resid 108 and name   HN )  4.0  2.2  2.0 !   A.115  at 4.92e+05
assign (resid 108 and name  HD# ) (resid 108 and name   HA )  4.0  2.2  1.0 !* C.50   at -8.51e+06
assign (resid 108 and name  HD# ) (resid 108 and name  HB# )  2.5  0.7  0.2 !   C.51   at -1.07e+07
assign (resid 108 and name  HB# ) (resid 108 and name  HE# )  4.0  2.2  1.0 !   D.2907 at -9.26e+05
assign (resid 108 and name  HE# ) (resid 108 and name   HA )  4.0  2.2  2.0 !* C.533  at -1.78e+06
assign (resid 108 and name  HB# ) (resid 109 and name   HN )  4.0  2.2  2.0 !   A.735  at 4.32e+05
assign (resid 108 and name  HD# ) (resid 109 and name  HG# )  4.0  2.2  1.0 !   C.55   at -1.74e+06
!assign (resid 108 and name   HA ) (resid 109 and name  HG# )  3.0  1.2  0.3 !   D.1878 at 1.83e+06
assign (resid 108 and name   HA ) (resid 109 and name  HB# )  4.0  2.2  1.0 !* D.1880 at 1.46e+06
assign (resid 108 and name  HD# ) (resid 110 and name   HA )  4.0  2.2  2.0 !   D.2924 at -4.61e+05
assign (resid 108 and name  HE# ) (resid 110 and name  HB# )  3.0  1.2  0.3 !   D.3467 at -1.98e+06
assign (resid 108 and name  HD# ) (resid 110 and name  HB# )  4.0  2.2  1.0 !   D.3474 at -7.08e+05
assign (resid 108 and name  HD# ) (resid 111 and name HD1# )  3.0  1.2  0.8 !   C.56   at -2.84e+06
assign (resid 108 and name  HD# ) (resid 111 and name HG2# )  4.0  2.2  2.5 !   D.2618 at -9.95e+05
assign (resid 108 and name  HE# ) (resid 111 and name HG2# )  4.0  2.2  1.5 !   D.2314 at -8.28e+05
!assign (resid 108 and name  HE# ) (resid 111 and name   HB )  2.5  0.7  0.2 !   D.2311 at -4.58e+06
assign (resid 108 and name  HE# ) (resid 111 and name HD1# )  4.0  2.2  2.5 !   D.2305 at -5.86e+05
assign (resid 108 and name  HB# ) (resid 111 and name HD1# )  4.0  2.2  1.5 !   D.2905 at 6.83e+05
!assign (resid 108 and name  HB# ) (resid 111 and name HG1# )  4.0  2.2  2.0 !* D.2903 at 7.56e+05

! 109
assign (resid 109 and name   HA ) (resid 109 and name  HG# )  3.0  1.2  0.3 !* D.1090 at 2.17e+07
assign (resid 109 and name  HB# ) (resid 109 and name  HD# )  4.0  2.2  2.0 !   E.11   at -4.23e+05
!assign (resid 109 and name   HA ) (resid 110 and name   HN )  2.5  0.7  0.4 !   A.892  at 1.16e+07
assign (resid 109 and name  HB# ) (resid 110 and name   HA )  4.0  2.2  1.0 !   D.2913 at 6.73e+05
!assign (resid 109 and name   HA ) (resid 111 and name   HN )  2.5  0.7  0.4 !   A.1058 at 8.06e+06
assign (resid 109 and name  HE# ) (resid 111 and name   HN )  4.0  2.2  2.0 !   A.1079 at 4.98e+05
!assign (resid 109 and name   HN ) (resid 111 and name   HN )  4.0  2.2  1.0 !* A.170  at 6.80e+06
!assign (resid 109 and name  HB# ) (resid 113 and name   HN )  4.0  2.2  1.0 !* A.2110  at 3.00e+06

! 110
assign (resid 110 and name  HB# ) (resid 110 and name   HN )  3.0  1.2  0.5 !   A.886  at 2.20e+06
assign (resid 110 and name   HA ) (resid 111 and name   HN )  3.0  1.2  0.5 !* A.1057 at 2.14e+07
assign (resid 110 and name  HB# ) (resid 111 and name   HN )  3.0  1.2  0.5 !   A.1060 at 2.63e+06
assign (resid 110 and name   HN ) (resid 111 and name   HN )  3.0  1.2  0.5 !   A.169  at 3.92e+06
assign (resid 110 and name  HB# ) (resid 111 and name   HA )  4.0  2.2  1.0 !* D.2485 at 1.45e+06
assign (resid 110 and name   HA ) (resid 111 and name   HA )  4.0  2.2  1.0 !* D.2931 at 1.01e+06
assign (resid 110 and name   HA ) (resid 111 and name HG2# )  4.0  2.2  2.5 !* D.1637 at 9.68e+05
assign (resid 110 and name  HB# ) (resid 112 and name   HN )  4.0  2.2  2.0 !   A.548  at 4.73e+05
assign (resid 110 and name  HB# ) (resid 112 and name HD1# )  4.0  2.2  1.5 !* D.2540 at 1.07e+06
assign (resid 110 and name   HA ) (resid 112 and name HD1# )  4.0  2.2  1.5 !   D.2527 at 9.20e+05

! 111
assign (resid 111 and name HG2# ) (resid 111 and name   HN )  2.5  0.7  0.9 !   A.1063 at 7.24e+06
assign (resid 111 and name HG1# ) (resid 111 and name   HN )  4.0  2.2  1.0 !* A.1062 at 5.87e+06
assign (resid 111 and name   HB ) (resid 111 and name   HN )  2.5  0.7  0.4 !   A.1061 at 1.30e+07
assign (resid 111 and name   HA ) (resid 111 and name HD1# )  3.0  1.2  0.8 !* D.2935 at 4.46e+06
assign (resid 111 and name   HA ) (resid 111 and name HG2# )  2.5  0.7  0.7 !   D.1104 at 2.06e+07
assign (resid 111 and name   HA ) (resid 111 and name HG1# )  2.5  0.7  0.2 !   D.2932 at 1.32e+07
assign (resid 111 and name HG2# ) (resid 113 and name  HD# )  3.0  1.2  0.8 !   D.2779 at 1.58e+06

! 112
assign (resid 112 and name HG1# ) (resid 112 and name   HN )  2.5  0.7  0.4 !   A.550  at 4.21e+06
assign (resid 112 and name   HB ) (resid 112 and name   HN )  2.5  0.7  0.4 !   A.549  at 1.21e+07
assign (resid 112 and name HD1# ) (resid 112 and name   HN )  2.5  0.7  0.9 !   A.552  at 7.73e+06
assign (resid 112 and name   HA ) (resid 112 and name HD1# )  2.5  0.7  0.7 !   D.2934 at 4.78e+06
assign (resid 112 and name   HA ) (resid 112 and name HG1# )  4.0  2.2  1.0 !   E.351  at -6.47e+05
assign (resid 112 and name   HN ) (resid 113 and name   HN )  4.0  2.2  1.0 !* A.15   at 2.52e+06
assign (resid 112 and name   HA ) (resid 113 and name   HN )  2.5  0.7  0.4 !   A.501  at 1.38e+07
assign (resid 112 and name HD1# ) (resid 113 and name   HN )  3.0  1.2  1.0 !   A.502  at 2.29e+06
assign (resid 112 and name HG1# ) (resid 113 and name   HN )  4.0  2.2  2.0 !   A.506  at 4.36e+05
assign (resid 112 and name   HB ) (resid 113 and name   HA )  4.0  2.2  1.0 !   D.2735 at 9.40e+05
!assign (resid 112 and name HG2# ) (resid 113 and name   HA )  3.0  1.2  0.8 !   D.2446 at 1.88e+06
assign (resid 112 and name   HB ) (resid 113 and name   HN )  4.0  2.2  1.0 !* A.2109 at 2.22e+06
!assign (resid 112 and name   HB ) (resid 114 and name  HB# )  4.0  2.2  2.0 !   D.2963 at 5.10e+05
assign (resid 112 and name   HB ) (resid 114 and name HE2# )  4.0  2.2  2.0 !   A.1868 at 4.38e+05
assign (resid 112 and name HD1# ) (resid 114 and name HE2# )  4.0  2.2  2.5 !   A.1869 at 4.08e+05
assign (resid 112 and name HG2# ) (resid 114 and name  HG# )  4.0  2.2  1.5 !   D.2970 at 7.68e+05

! 113
assign (resid 113 and name  HG# ) (resid 113 and name   HN )  4.0  2.2  1.0 !   A.503  at 1.50e+06
assign (resid 113 and name   HA ) (resid 113 and name  HD# )  3.0  1.2  0.3 !* D.2582 at 5.32e+06
assign (resid 113 and name   HA ) (resid 113 and name  HG# )  3.0  1.2  0.3 !* D.2441 at 1.57e+07
assign (resid 113 and name  HB# ) (resid 113 and name  HD# )  2.5  0.7  0.2 !   D.2951 at 1.38e+07
assign (resid 113 and name  HB# ) (resid 113 and name   HN )  3.0  1.2  0.5 !   A.2106 at 2.81e+06
assign (resid 113 and name   HN ) (resid 114 and name   HN )  4.0  2.2  2.0 !   A.9    at 5.79e+05
assign (resid 113 and name  HG# ) (resid 114 and name   HN )  4.0  2.2  2.0 !   A.613  at 4.14e+05
assign (resid 113 and name  HB# ) (resid 114 and name   HN )  4.0  2.2  2.0 !   A.612  at 8.71e+05
assign (resid 113 and name   HA ) (resid 114 and name   HN )  2.5  0.7  0.4 !   A.609  at 8.07e+06
assign (resid 113 and name   HA ) (resid 114 and name  HG# )  4.0  2.2  1.0 !   D.3475 at 9.19e+05

! 114
assign (resid 114 and name  HG# ) (resid 114 and name   HN )  4.0  2.2  1.0 !   A.610  at 1.29e+06
assign (resid 114 and name  HB# ) (resid 114 and name   HN )  4.0  2.2  1.0 !   A.611  at 1.97e+06
assign (resid 114 and name  HG# ) (resid 114 and name HE2# )  3.0  1.2  0.3 !   A.1854 at 2.50e+06
assign (resid 114 and name   HA ) (resid 114 and name  HG# )  2.5  0.7  0.2 !   D.2957 at 3.07e+06
assign (resid 114 and name   HA ) (resid 115 and name  HG# )  4.0  2.2  1.0 !* D.1638 at 3.19e+06
assign (resid 114 and name   HA ) (resid 115 and name  HD# )  3.0  1.2  0.3 !* D.1639 at 3.15e+07
assign (resid 114 and name   HA ) (resid 115 and name  HB# )  4.0  2.2  2.0 !* D.2960 at 8.05e+05
!assign (resid 114 and name  HB# ) (resid 115 and name  HD# )  2.5  0.7  0.2 !   D.2981 at 2.27e+06
assign (resid 114 and name  HG# ) (resid 115 and name  HD# )  3.0  1.2  0.3 !* D.2965 at 2.67e+06
assign (resid 114 and name   HA ) (resid 116 and name  HB# )  4.0  2.2  1.0 !   C.601  at -1.02e+06

! 115
assign (resid 115 and name   HA ) (resid 115 and name  HD# )  3.0  1.2  0.3 !* D.2600 at 3.39e+06
assign (resid 115 and name  HB# ) (resid 115 and name  HD# )  2.5  0.7  0.2 !   D.2832 at 7.52e+06
assign (resid 115 and name  HG# ) (resid 115 and name   HA )  3.5  1.2  0.3 !* D.2847 at 5.07e+06
assign (resid 115 and name  HB# ) (resid 116 and name   HN )  4.0  2.2  2.0 !   A.1549 at 7.66e+05
assign (resid 115 and name  HB# ) (resid 116 and name  HB# )  4.0  2.2  1.0 !   D.2632 at 9.64e+05
assign (resid 115 and name   HA ) (resid 117 and name  HB# )  4.0  2.2  1.0 !* D.2605 at 1.29e+06
assign (resid 115 and name   HA ) (resid 117 and name  HG# )  4.0  2.2  1.0 !   D.2607 at 7.42e+05

! 116
assign (resid 116 and name  HB# ) (resid 116 and name   HN )  4.0  2.2  1.0 !   A.1546 at 1.34e+06
assign (resid 116 and name   HN ) (resid 117 and name   HN )  4.0  2.2  1.0 !   A.65   at 1.41e+06
assign (resid 116 and name  HB# ) (resid 117 and name   HN )  4.0  2.2  1.0 !   A.721  at 1.38e+06
assign (resid 116 and name   HA ) (resid 117 and name   HN )  2.5  0.7  0.4 !   A.719  at 8.59e+06
assign (resid 116 and name   HN ) (resid 117 and name  HB# )  4.0  2.2  2.0 !* A.1548 at 1.28e+06
!assign (resid 116 and name  HB# ) (resid 118 and name   HN )  3.0  1.2  0.5 !   A.1135 at 2.06e+06
assign (resid 116 and name  HB# ) (resid 118 and name  HB# )  4.0  2.2  1.0 !* D.2631 at 1.23e+06
assign (resid 116 and name  HB# ) (resid 118 and name  HG# )  3.0  1.2  0.3 !   D.1933 at 1.36e+06
!assign (resid 116 and name  HB# ) (resid 121 and name HG1# )  4.0  2.2  1.0 !   C.603  at -1.04e+06

! 117
assign (resid 117 and name  HG# ) (resid 117 and name   HN )  4.0  2.2  1.0 !   A.724  at 1.45e+06
assign (resid 117 and name  HB# ) (resid 117 and name   HN )  3.0  1.2  0.5 !   A.726  at 2.33e+06
assign (resid 117 and name   HA ) (resid 117 and name  HG# )  3.0  1.2  0.3 !* D.3002 at 1.27e+07
assign (resid 117 and name   HN ) (resid 118 and name   HN )  4.0  2.2  1.0 !   A.68   at 1.63e+06
assign (resid 117 and name  HB# ) (resid 121 and name   HN )  4.0  2.2  2.0 !   A.603  at 6.94e+05
assign (resid 117 and name  HG# ) (resid 121 and name   HN )  4.0  2.2  2.0 !   A.618  at 3.07e+05
assign (resid 117 and name  HB# ) (resid 121 and name HD1# )  3.0  1.2  0.8 !   D.3011 at 1.98e+06

! 118
assign (resid 118 and name   HA ) (resid 118 and name  HG# )  2.5  0.7  0.2 !   D.3009 at 1.65e+07
assign (resid 118 and name   HA ) (resid 119 and name   HN )  3.0  1.2  0.5 !* A.877  at 1.24e+07
assign (resid 118 and name  HG# ) (resid 119 and name   HN )  4.0  2.2  1.0 !* A.883  at 2.96e+06
!assign (resid 118 and name   HN ) (resid 119 and name   HN )  2.5  0.7  0.4 !   A.191  at 5.13e+06
assign (resid 118 and name   HA ) (resid 120 and name   HN )  4.0  2.2  1.0 !* A.2070 at 1.38e+07
assign (resid 118 and name   HA ) (resid 121 and name   HB )  2.5  0.7  0.2 !   D.2573 at 2.75e+06
assign (resid 118 and name   HA ) (resid 121 and name HD1# )  2.5  0.7  0.7 !   D.2521 at 2.91e+06
assign (resid 118 and name  HB# ) (resid 121 and name   HB )  4.0  2.2  1.0 !* D.3449 at 3.22e+06
!assign (resid 118 and name  HG# ) (resid 121 and name HD1# )  2.5  0.7  0.7 !   D.1103 at 3.82e+06
!assign (resid 118 and name  HG# ) (resid 121 and name HG2# )  3.0  1.2  0.8 !   D.1101 at 1.95e+06
!assign (resid 118 and name  HB# ) (resid 121 and name HG2# )  2.5  0.7  0.7 !   D.2949 at 6.09e+06

! 119
assign (resid 119 and name  HB# ) (resid 119 and name   HN )  2.5  0.7  0.4 !   A.884  at 1.30e+07
assign (resid 119 and name  HG# ) (resid 119 and name   HA )  2.5  0.7  0.2 !   D.2522 at 1.94e+07
assign (resid 119 and name  HG# ) (resid 119 and name   HN )  4.0  2.2  1.0 !* A.2111 at 2.96e+06
assign (resid 119 and name   HN ) (resid 120 and name   HN )  2.5  0.7  0.4 !   A.77   at 1.11e+07
assign (resid 119 and name   HA ) (resid 120 and name   HN )  3.0  1.2  0.5 !* A.775  at 1.38e+07
assign (resid 119 and name  HG# ) (resid 120 and name   HN )  4.0  2.2  1.0 !   A.778  at 1.07e+06
assign (resid 119 and name   HA ) (resid 120 and name   HA )  4.0  2.2  1.0 !   D.3017 at 7.66e+05
assign (resid 119 and name   HA ) (resid 120 and name HG1# )  4.0  2.2  1.0 !   D.3282 at 7.81e+05
assign (resid 119 and name  HB# ) (resid 120 and name HG2# )  3.0  1.2  0.8 !   D.1433 at 1.73e+06
assign (resid 119 and name   HA ) (resid 121 and name   HN )  4.0  2.2  1.0 !   A.615  at 1.25e+06
!assign (resid 119 and name   HA ) (resid 121 and name HG2# )  3.0  1.2  0.8 !   D.2518 at 1.90e+06

! 120
assign (resid 120 and name HG1# ) (resid 120 and name   HN )  2.5  0.7  0.4 !   A.780  at 5.45e+06
assign (resid 120 and name   HB ) (resid 120 and name   HN )  3.0  1.2  0.5 !* A.779  at 1.06e+07
assign (resid 120 and name HG2# ) (resid 120 and name   HN )  3.0  1.2  1.0 !   A.812  at 3.46e+06
assign (resid 120 and name   HA ) (resid 120 and name HD1# )  3.0  1.2  0.8 !* D.3014 at 3.69e+06
assign (resid 120 and name   HA ) (resid 120 and name HG2# )  2.5  0.7  0.7 !   D.3015 at 1.41e+07
assign (resid 120 and name   HA ) (resid 121 and name   HN )  3.0  1.2  0.5 !* A.616  at 1.57e+07
assign (resid 120 and name   HN ) (resid 122 and name   HN )  4.0  2.2  1.0 !* A.18   at 2.97e+07
assign (resid 120 and name   HN ) (resid 122 and name  HE# )  4.0  2.2  2.0 !   A.777  at 5.18e+05
!assign (resid 120 and name   HA ) (resid 122 and name  HG# )  3.0  1.2  0.3 !   D.3201 at 1.34e+06
assign (resid 120 and name   HA ) (resid 123 and name  HB# )  4.0  2.2  1.0 !   D.3012 at 9.72e+05

! 121
assign (resid 121 and name   HB ) (resid 121 and name   HN )  2.5  0.7  0.4 !   A.619  at 1.17e+07
assign (resid 121 and name HG1# ) (resid 121 and name   HN )  4.0  2.2  1.0 !* A.620  at 4.18e+06
assign (resid 121 and name   HA ) (resid 121 and name HG1# )  2.5  0.7  0.2 !   D.3016 at 8.89e+06
assign (resid 121 and name   HA ) (resid 121 and name HD1# )  3.0  1.2  0.8 !   E.273  at 1.45e+06
assign (resid 121 and name HD1# ) (resid 121 and name   HB )  2.5  0.7  0.7 !   E.249  at -2.18e+06
assign (resid 121 and name HG2# ) (resid 121 and name   HN )  2.5  0.7  0.9 !   A.604  at 5.36e+06
assign (resid 121 and name HG2# ) (resid 121 and name   HA )  2.5  0.7  0.7 !   D.2946 at 2.58e+07
assign (resid 121 and name HG2# ) (resid 122 and name   HN )  3.0  1.2  1.0 !   A.561  at 2.53e+06
assign (resid 121 and name HG1# ) (resid 122 and name   HN )  4.0  2.2  1.0 !   A.560  at 1.55e+06
assign (resid 121 and name   HA ) (resid 122 and name   HN )  3.0  1.2  0.5 !* A.558  at 1.08e+07
assign (resid 121 and name HG2# ) (resid 122 and name   HA )  2.5  0.7  0.7 !   C.597  at -8.89e+06
!assign (resid 121 and name   HA ) (resid 124 and name  HB# )  3.0  1.2  0.8 !   D.3057 at 1.03e+06

! 122
assign (resid 122 and name  HB# ) (resid 122 and name   HN )  2.5  0.7  0.4 !   A.559  at 4.64e+06
assign (resid 122 and name   HA ) (resid 122 and name  HG# )  3.0  1.2  0.3 !* D.3048 at 1.08e+07
assign (resid 122 and name  HB# ) (resid 123 and name   HN )  4.0  2.2  1.0 !   A.703  at 1.43e+06

! 123
assign (resid 123 and name  HB# ) (resid 123 and name  HD* )  2.5  0.7  0.7 !   E.111  at 4.87e+06
assign (resid 123 and name   HA ) (resid 123 and name   HG )  2.5  0.7  0.2 !   D.3484 at 2.64e+06
assign (resid 123 and name  HD* ) (resid 123 and name   HA )  2.5  0.7  0.7 !   D.3456 at 1.56e+07
assign (resid 123 and name   HG ) (resid 124 and name   HN )  4.0  2.2  1.0 !   A.497  at 1.19e+06
assign (resid 123 and name   HA ) (resid 124 and name   HN )  3.0  1.2  0.5 !* A.493  at 1.25e+07
assign (resid 123 and name   HN ) (resid 124 and name   HN )  3.0  1.2  0.5 !   A.55   at 3.20e+06
assign (resid 123 and name   HA ) (resid 124 and name  HB# )  4.0  2.2  1.5 !   D.3055 at 9.40e+05
assign (resid 123 and name  HD* ) (resid 124 and name   HN )  4.0  2.2  2.5 !   A.491  at 9.78e+05
assign (resid 123 and name  HB# ) (resid 124 and name   HN )  4.0  2.2  1.0 !   A.2022 at 1.21e+06

! 124
assign (resid 124 and name  HB# ) (resid 124 and name   HN )  2.5  0.7  0.9 !   A.492  at 6.09e+06
assign (resid 124 and name   HN ) (resid 125 and name  HD# )  4.0  2.2  2.0 !   A.499  at 4.07e+05
!assign (resid 124 and name  HB# ) (resid 125 and name  HD# )  2.5  0.7  0.2 !   D.2990 at 4.00e+06
assign (resid 124 and name   HA ) (resid 125 and name  HD# )  2.5  0.7  0.2 !   E.99   at 1.66e+06
assign (resid 124 and name   HA ) (resid 125 and name  HG# )  4.0  2.2  1.0 !* D.2663 at 1.13e+06
!assign (resid 124 and name   HA ) (resid 126 and name  HB# )  4.0  2.2  2.0 !   D.2664 at 5.00e+05

! 125
assign (resid 125 and name   HA ) (resid 126 and name  HD# )  2.5  0.7  0.2 !   D.2644 at 4.26e+07

! 126
assign (resid 126 and name   HA ) (resid 126 and name  HG# )  3.0  1.2  0.3 !* D.2643 at 5.59e+06
assign (resid 126 and name  HD# ) (resid 126 and name  HB# )  2.5  0.7  0.2 !   D.2987 at 4.81e+06
assign (resid 126 and name  HD# ) (resid 126 and name   HA )  3.0  1.2  0.3 !* E.79   at 3.12e+06
assign (resid 126 and name   HA ) (resid 127 and name  HD# )  2.5  0.7  0.2 !   E.78   at 3.46e+06

! 127
assign (resid 127 and name   HA ) (resid 127 and name  HG# )  3.0  1.2  0.3 !* D.3090 at 3.37e+06
assign (resid 127 and name   HA ) (resid 127 and name  HD# )  3.0  1.2  0.3 !   D.3089 at 1.62e+06
assign (resid 127 and name  HD# ) (resid 127 and name  HB# )  2.5  0.7  0.2 !   D.3073 at 7.59e+06
assign (resid 127 and name   HA ) (resid 128 and name   HN )  2.5  0.7  0.4 !   A.727  at 5.33e+06
assign (resid 127 and name  HB# ) (resid 128 and name   HN )  4.0  2.2  2.0 !   A.740  at 7.20e+05
assign (resid 127 and name   HA ) (resid 128 and name  HG# )  4.0  2.2  2.0 !   D.3224 at 5.47e+05

! 128
assign (resid 128 and name  HB# ) (resid 128 and name   HN )  4.0  2.2  1.0 !   A.741  at 1.33e+06
assign (resid 128 and name   HA ) (resid 128 and name  HG# )  3.0  1.2  0.3 !* D.3104 at 8.98e+06
assign (resid 128 and name  HD# ) (resid 128 and name  HB# )  2.5  0.7  0.2 !   D.3434 at 2.92e+07

! 129
assign (resid 129 and name   HA ) (resid 129 and name  HG# )  3.0  1.2  0.3 !* D.2581 at 6.58e+06
assign (resid 129 and name  HB# ) (resid 129 and name  HD# )  2.5  0.7  0.2 !   D.2585 at 8.68e+06
assign (resid 129 and name   HA ) (resid 130 and name   HN )  2.5  0.7  0.4 !   A.490  at 4.71e+06
assign (resid 129 and name  HE# ) (resid 130 and name   HN )  4.0  2.2  2.0 !   A.1961 at 7.99e+05
assign (resid 129 and name  HD# ) (resid 130 and name   HN )  4.0  2.2  2.0 !   A.1962 at 4.52e+05

! 130
}

!@ END_XPLR_NOE_FILE
assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid   2 and name   N )
       ( resid   2 and name  HN )  -7.0020  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid   3 and name   N )
       ( resid   3 and name  HN )  -5.0010  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid   4 and name   N )
       ( resid   4 and name  HN )  -1.0010  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid   5 and name   N )
       ( resid   5 and name  HN ) -17.5040  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid   6 and name   N )
       ( resid   6 and name  HN ) -22.0060  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid   7 and name   N )
       ( resid   7 and name  HN )  -4.5010  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid   8 and name   N )
       ( resid   8 and name  HN )  -7.5020  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid   9 and name   N )
       ( resid   9 and name  HN ) -16.0050  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  10 and name   N )
       ( resid  10 and name  HN )  -7.0020  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  11 and name   N )
       ( resid  11 and name  HN )   9.0030  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  12 and name   N )
       ( resid  12 and name  HN ) -14.0040  0.5000 0.5000
{
assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  13 and name   N )
       ( resid  13 and name  HN ) -24.5060  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  14 and name   N )
       ( resid  14 and name  HN )   5.0010  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  15 and name   N )
       ( resid  15 and name  HN )  -4.0010  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  16 and name   N )
       ( resid  16 and name  HN )  13.5040  0.5000 0.5000
}
assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  17 and name   N )
       ( resid  17 and name  HN )   8.0030  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  18 and name   N )
       ( resid  18 and name  HN )   4.5010  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  19 and name   N )
       ( resid  19 and name  HN )   1.0000  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  20 and name   N )
       ( resid  20 and name  HN )  15.5040  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  21 and name   N )
       ( resid  21 and name  HN )   1.5000  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  22 and name   N )
       ( resid  22 and name  HN )  12.5030  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  23 and name   N )
       ( resid  23 and name  HN )  15.5040  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  24 and name   N )
       ( resid  24 and name  HN )   5.5010  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  25 and name   N )
       ( resid  25 and name  HN )  16.0040  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  26 and name   N )
       ( resid  26 and name  HN )   9.5030  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  27 and name   N )
       ( resid  27 and name  HN )   9.0030  0.5000 0.5000
{
assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  28 and name   N )
       ( resid  28 and name  HN )  15.5040  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  29 and name   N )
       ( resid  29 and name  HN )   8.5030  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  30 and name   N )
       ( resid  30 and name  HN )   5.5020  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  31 and name   N )
       ( resid  31 and name  HN )   7.0010  0.5000 0.5000
}
assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  33 and name   N )
       ( resid  33 and name  HN )   0.0000  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  34 and name   N )
       ( resid  34 and name  HN )  11.0030  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  35 and name   N )
       ( resid  35 and name  HN )   3.5000  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  36 and name   N )
       ( resid  36 and name  HN )   5.0010  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  37 and name   N )
       ( resid  37 and name  HN )  -2.0000  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  38 and name   N )
       ( resid  38 and name  HN )   5.0010  0.5000 0.5000
{
assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  39 and name   N )
       ( resid  39 and name  HN )  -1.0000  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  40 and name   N )
       ( resid  40 and name  HN )  11.0030  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  41 and name   N )
       ( resid  41 and name  HN )   7.5020  0.5000 0.5000
}
assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  42 and name   N )
       ( resid  42 and name  HN )   2.0000  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  43 and name   N )
       ( resid  43 and name  HN )   7.0010  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  44 and name   N )
       ( resid  44 and name  HN )  -0.5000  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  45 and name   N )
       ( resid  45 and name  HN )   2.5000  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  46 and name   N )
       ( resid  46 and name  HN )   3.5010  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  47 and name   N )
       ( resid  47 and name  HN )   5.0010  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  48 and name   N )
       ( resid  48 and name  HN )  13.5040  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  49 and name   N )
       ( resid  49 and name  HN )   5.0010  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  50 and name   N )
       ( resid  50 and name  HN )   6.0010  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  51 and name   N )
       ( resid  51 and name  HN )   7.0020  0.5000 0.5000
{
assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  52 and name   N )
       ( resid  52 and name  HN )   2.0010  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  53 and name   N )
       ( resid  53 and name  HN )  17.0050  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  54 and name   N )
       ( resid  54 and name  HN )   2.5000  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  55 and name   N )
       ( resid  55 and name  HN )   2.0000  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  56 and name   N )
       ( resid  56 and name  HN )  -0.5000  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  57 and name   N )
       ( resid  57 and name  HN )  22.0060  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  58 and name   N )
       ( resid  58 and name  HN )   2.5010  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  59 and name   N )
       ( resid  59 and name  HN )  11.0030  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  60 and name   N )
       ( resid  60 and name  HN ) -12.5030  0.5000 0.5000
}
assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  61 and name   N )
       ( resid  61 and name  HN )  -8.0020  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  62 and name   N )
       ( resid  62 and name  HN )  12.0030  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  63 and name   N )
       ( resid  63 and name  HN )   1.0000  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  64 and name   N )
       ( resid  64 and name  HN )   1.5000  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  65 and name   N )
       ( resid  65 and name  HN )  -1.0000  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  66 and name   N )
       ( resid  66 and name  HN )   7.5020  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  67 and name   N )
       ( resid  67 and name  HN )  -3.5010  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  68 and name   N )
       ( resid  68 and name  HN )   4.0010  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  69 and name   N )
       ( resid  69 and name  HN )   3.0000  0.5000 0.5000
{
assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  70 and name   N )
       ( resid  70 and name  HN ) -10.0030  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  71 and name   N )
       ( resid  71 and name  HN )   7.0020  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  72 and name   N )
       ( resid  72 and name  HN )  21.5060  0.5000 0.5000
}
assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  74 and name   N )
       ( resid  74 and name  HN ) -22.5050  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  75 and name   N )
       ( resid  75 and name  HN )  -2.0010  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  76 and name   N )
       ( resid  76 and name  HN ) -17.5040  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  77 and name   N )
       ( resid  77 and name  HN )  -6.5010  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  78 and name   N )
       ( resid  78 and name  HN ) -19.0050  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  79 and name   N )
       ( resid  79 and name  HN )   6.0020  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  80 and name   N )
       ( resid  80 and name  HN ) -13.5030  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  81 and name   N )
       ( resid  81 and name  HN ) -12.5030  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  82 and name   N )
       ( resid  82 and name  HN )  -9.0020  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  83 and name   N )
       ( resid  83 and name  HN )  -0.5000  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  84 and name   N )
       ( resid  84 and name  HN ) -17.5040  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  85 and name   N )
       ( resid  85 and name  HN )  14.5030  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  86 and name   N )
       ( resid  86 and name  HN )  -5.5010  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  87 and name   N )
       ( resid  87 and name  HN )   1.5010  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  88 and name   N )
       ( resid  88 and name  HN )  -7.5020  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  89 and name   N )
       ( resid  89 and name  HN ) -11.0030  0.5000 0.5000
{
assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  90 and name   N )
       ( resid  90 and name  HN )   0.5000  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  91 and name   N )
       ( resid  91 and name  HN )   0.0000  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  92 and name   N )
       ( resid  92 and name  HN )  -7.5020  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  93 and name   N )
       ( resid  93 and name  HN )   1.0010  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  94 and name   N )
       ( resid  94 and name  HN )  -1.0000  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  95 and name   N )
       ( resid  95 and name  HN )  -5.5020  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  96 and name   N )
       ( resid  96 and name  HN )  -4.5010  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  97 and name   N )
       ( resid  97 and name  HN )  -9.0020  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  98 and name   N )
       ( resid  98 and name  HN )  -8.5020  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid  99 and name   N )
       ( resid  99 and name  HN )  -0.5000  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 100 and name   N )
       ( resid 100 and name  HN )  -5.0010  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 101 and name   N )
       ( resid 101 and name  HN )   0.0000  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 102 and name   N )
       ( resid 102 and name  HN )   3.0000  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 106 and name   N )
       ( resid 106 and name  HN )   4.0010  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 107 and name   N )
       ( resid 107 and name  HN )  -6.5020  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 108 and name   N )
       ( resid 108 and name  HN )   8.0020  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 109 and name   N )
       ( resid 109 and name  HN )   7.0020  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 110 and name   N )
       ( resid 110 and name  HN )   4.5010  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 111 and name   N )
       ( resid 111 and name  HN )   6.0020  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 112 and name   N )
       ( resid 112 and name  HN )   7.5020  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 113 and name   N )
       ( resid 113 and name  HN )  10.5030  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 114 and name   N )
       ( resid 114 and name  HN )   0.0000  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 116 and name   N )
       ( resid 116 and name  HN )   1.0010  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 117 and name   N )
       ( resid 117 and name  HN )   2.5000  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 118 and name   N )
       ( resid 118 and name  HN )  -1.0010  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 119 and name   N )
       ( resid 119 and name  HN )   5.0010  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 120 and name   N )
       ( resid 120 and name  HN )   5.5010  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 121 and name   N )
       ( resid 121 and name  HN )   1.0000  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 122 and name   N )
       ( resid 122 and name  HN )   1.0000  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 123 and name   N )
       ( resid 123 and name  HN )   5.5010  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 124 and name   N )
       ( resid 124 and name  HN )   6.5020  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 128 and name   N )
       ( resid 128 and name  HN )  -0.5010  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 129 and name   N )
       ( resid 129 and name  HN )  -1.5010  0.5000 0.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 130 and name   N )
       ( resid 130 and name  HN )  -3.5010  0.5000 0.5000
}

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid   2 and name   N )
       ( resid   2 and name  HN )  11.5040  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid   3 and name   N )
       ( resid   3 and name  HN )  -1.5000  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid   4 and name   N )
       ( resid   4 and name  HN )   5.5020  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid   5 and name   N )
       ( resid   5 and name  HN )   6.5010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid   6 and name   N )
       ( resid   6 and name  HN )  -3.5010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid   7 and name   N )
       ( resid   7 and name  HN )   3.5000  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid   8 and name   N )
       ( resid   8 and name  HN )   8.5020  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid   9 and name   N )
       ( resid   9 and name  HN )   0.0000  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  10 and name   N )
       ( resid  10 and name  HN )   1.0010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  11 and name   N )
       ( resid  11 and name  HN )   4.5010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  12 and name   N )
       ( resid  12 and name  HN )   1.5000  0.5000  0.5000
{
assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  13 and name   N )
       ( resid  13 and name  HN )  -4.0010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  14 and name   N )
       ( resid  14 and name  HN )   0.5000  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  15 and name   N )
       ( resid  15 and name  HN )  16.5040  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  16 and name   N )
       ( resid  16 and name  HN )   9.0030  0.5000  0.5000
}
assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  17 and name   N )
       ( resid  17 and name  HN )  -2.0000  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  18 and name   N )
       ( resid  18 and name  HN )  -1.0000  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  19 and name   N )
       ( resid  19 and name  HN )   4.5010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  20 and name   N )
       ( resid  20 and name  HN )   0.5000  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  21 and name   N )
       ( resid  21 and name  HN )  -0.5000  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  22 and name   N )
       ( resid  22 and name  HN )  -1.5000  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  23 and name   N )
       ( resid  23 and name  HN )   3.5010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  24 and name   N )
       ( resid  24 and name  HN )  -6.0010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  25 and name   N )
       ( resid  25 and name  HN )   1.0000  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  26 and name   N )
       ( resid  26 and name  HN )  -1.5010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  27 and name   N )
       ( resid  27 and name  HN )   0.0000  0.5000  0.5000
{
assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  28 and name   N )
       ( resid  28 and name  HN )   3.0000  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  29 and name   N )
       ( resid  29 and name  HN )   2.5010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  30 and name   N )
       ( resid  30 and name  HN )   1.0000  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  31 and name   N )
       ( resid  31 and name  HN )  14.5040  0.5000  0.5000
}
assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  33 and name   N )
       ( resid  33 and name  HN )   5.0020  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  34 and name   N )
       ( resid  34 and name  HN )   0.5000  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  35 and name   N )
       ( resid  35 and name  HN )   4.0010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  36 and name   N )
       ( resid  36 and name  HN )   4.5020  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  37 and name   N )
       ( resid  37 and name  HN )  -5.0010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  38 and name   N )
       ( resid  38 and name  HN )   1.5010  0.5000  0.5000
{
assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  39 and name   N )
       ( resid  39 and name  HN )   9.0030  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  40 and name   N )
       ( resid  40 and name  HN )  14.0030  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  41 and name   N )
       ( resid  41 and name  HN )   0.5000  0.5000  0.5000
}
assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  42 and name   N )
       ( resid  42 and name  HN )  -4.0010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  43 and name   N )
       ( resid  43 and name  HN )  -1.5000  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  44 and name   N )
       ( resid  44 and name  HN )  -1.5010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  45 and name   N )
       ( resid  45 and name  HN )   2.0010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  46 and name   N )
       ( resid  46 and name  HN )  -2.5010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  47 and name   N )
       ( resid  47 and name  HN )  -2.5010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  48 and name   N )
       ( resid  48 and name  HN )   3.0000  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  49 and name   N )
       ( resid  49 and name  HN )   2.0000  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  50 and name   N )
       ( resid  50 and name  HN )   1.0000  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  51 and name   N )
       ( resid  51 and name  HN )  -1.0000  0.5000  0.5000
{
assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  52 and name   N )
       ( resid  52 and name  HN )   2.5010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  53 and name   N )
       ( resid  53 and name  HN )   8.0020  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  54 and name   N )
       ( resid  54 and name  HN ) -10.0030  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  55 and name   N )
       ( resid  55 and name  HN )   2.5000  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  56 and name   N )
       ( resid  56 and name  HN )   1.5000  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  57 and name   N )
       ( resid  57 and name  HN )   4.0010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  58 and name   N )
       ( resid  58 and name  HN )  -4.5010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  59 and name   N )
       ( resid  59 and name  HN )   4.5010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  60 and name   N )
       ( resid  60 and name  HN ) -12.0030  0.5000  0.5000
}
assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  61 and name   N )
       ( resid  61 and name  HN )   6.5010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  62 and name   N )
       ( resid  62 and name  HN )  13.0030  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  63 and name   N )
       ( resid  63 and name  HN )   7.0020  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  64 and name   N )
       ( resid  64 and name  HN )   3.0000  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  65 and name   N )
       ( resid  65 and name  HN )   8.0030  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  66 and name   N )
       ( resid  66 and name  HN )   4.5010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  67 and name   N )
       ( resid  67 and name  HN )   6.0010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  68 and name   N )
       ( resid  68 and name  HN )   0.0000  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  69 and name   N )
       ( resid  69 and name  HN )  11.0030  0.5000  0.5000
{
assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  70 and name   N )
       ( resid  70 and name  HN )   7.0020  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  71 and name   N )
       ( resid  71 and name  HN )  -2.5010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  72 and name   N )
       ( resid  72 and name  HN )   3.5010  0.5000  0.5000
}
assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  74 and name   N )
       ( resid  74 and name  HN )  -6.5020  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  75 and name   N )
       ( resid  75 and name  HN )   4.0010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  76 and name   N )
       ( resid  76 and name  HN )   6.5020  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  77 and name   N )
       ( resid  77 and name  HN )   5.5020  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  78 and name   N )
       ( resid  78 and name  HN )  -1.5000  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  79 and name   N )
       ( resid  79 and name  HN )   4.5020  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  80 and name   N )
       ( resid  80 and name  HN )   5.0020  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  81 and name   N )
       ( resid  81 and name  HN )  -1.0010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  82 and name   N )
       ( resid  82 and name  HN )  -5.0020  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  83 and name   N )
       ( resid  83 and name  HN )   1.5000  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  84 and name   N )
       ( resid  84 and name  HN )  -0.5000  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  85 and name   N )
       ( resid  85 and name  HN )  10.0030  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  86 and name   N )
       ( resid  86 and name  HN )   0.0000  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  87 and name   N )
       ( resid  87 and name  HN )   9.0020  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  88 and name   N )
       ( resid  88 and name  HN )   2.0010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  89 and name   N )
       ( resid  89 and name  HN )  -1.0010  0.5000  0.5000
{
assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  90 and name   N )
       ( resid  90 and name  HN )   6.5020  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  91 and name   N )
       ( resid  91 and name  HN )   2.5010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  92 and name   N )
       ( resid  92 and name  HN )   3.5010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  93 and name   N )
       ( resid  93 and name  HN )   3.0010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  94 and name   N )
       ( resid  94 and name  HN )   4.5010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  95 and name   N )
       ( resid  95 and name  HN )  -0.5010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  96 and name   N )
       ( resid  96 and name  HN )  -2.0010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  97 and name   N )
       ( resid  97 and name  HN )  -1.0000  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  98 and name   N )
       ( resid  98 and name  HN )   0.0000  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  99 and name   N )
       ( resid  99 and name  HN )   0.0000  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 100 and name   N )
       ( resid 100 and name  HN )  -1.5010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 101 and name   N )
       ( resid 101 and name  HN )   0.0000  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 102 and name   N )
       ( resid 102 and name  HN )  -1.0010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 106 and name   N )
       ( resid 106 and name  HN )   3.5010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 107 and name   N )
       ( resid 107 and name  HN )  -6.5010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 108 and name   N )
       ( resid 108 and name  HN )   0.5010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 109 and name   N )
       ( resid 109 and name  HN )  -3.5010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 110 and name   N )
       ( resid 110 and name  HN )   1.5010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 111 and name   N )
       ( resid 111 and name  HN )   2.0000  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 112 and name   N )
       ( resid 112 and name  HN )   2.0000  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 113 and name   N )
       ( resid 113 and name  HN )   0.0000  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 114 and name   N )
       ( resid 114 and name  HN )  -1.5010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 116 and name   N )
       ( resid 116 and name  HN )  -0.5010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 117 and name   N )
       ( resid 117 and name  HN )  -1.0000  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 118 and name   N )
       ( resid 118 and name  HN )   0.0000  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 119 and name   N )
       ( resid 119 and name  HN )   1.0010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 120 and name   N )
       ( resid 120 and name  HN )  -1.5010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 121 and name   N )
       ( resid 121 and name  HN )  -0.5010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 122 and name   N )
       ( resid 122 and name  HN )  -1.0010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 123 and name   N )
       ( resid 123 and name  HN )  -2.5010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 124 and name   N )
       ( resid 124 and name  HN )   4.5010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 128 and name   N )
       ( resid 128 and name  HN )   6.5010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 129 and name   N )
       ( resid 129 and name  HN )   6.5010  0.5000  0.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 130 and name   N )
       ( resid 130 and name  HN )   2.5000  0.5000  0.5000
}

!PEA-15
!CA and CB shifts

   !!    A2
 assign (resid 1 and name c ) (resid 2 and name n )
        (resid 2 and name ca) (resid 2 and name c )
        (resid 3 and name n )                            54.65 18.39
   !!    E3
 assign (resid 2 and name c ) (resid 3 and name n )
        (resid 3 and name ca) (resid 3 and name c )
        (resid 4 and name n )                            59.40 29.56
   !!    Y4
 assign (resid 3 and name c ) (resid 4 and name n )
        (resid 4 and name ca) (resid 4 and name c )
        (resid 5 and name n )                            60.63 38.40
   !!    G5
 assign (resid 4 and name c ) (resid 5 and name n )
        (resid 5 and name ca) (resid 5 and name c )
        (resid 6 and name n )                            47.14 0.00
   !!    T6
 assign (resid 5 and name c ) (resid 6 and name n )
        (resid 6 and name ca) (resid 6 and name c )
        (resid 7 and name n )                            66.45 68.39
   !!    L7
 assign (resid 6 and name c ) (resid 7 and name n )
        (resid 7 and name ca) (resid 7 and name c )
        (resid 8 and name n )                            58.22 39.75
   !!    L8
 assign (resid 7 and name c ) (resid 8 and name n )
        (resid 8 and name ca) (resid 8 and name c )
        (resid 9 and name n )                            58.13 40.14
   !!    Q9
 assign (resid 8 and name c ) (resid 9 and name n )
        (resid 9 and name ca) (resid 9 and name c )
        (resid 10 and name n )                           58.78 28.93
   !!    D10
 assign (resid 9 and name c ) (resid 10 and name n )
        (resid 10 and name ca) (resid 10 and name c )
        (resid 11 and name n )                           57.68 39.94
   !!    L11
 assign (resid 10 and name c ) (resid 11 and name n )
        (resid 11 and name ca) (resid 11 and name c )
        (resid 12 and name n )                           58.49 43.25
   !!    T12
 assign (resid 11 and name c ) (resid 12 and name n ) 
        (resid 12 and name ca) (resid 12 and name c )
 (resid 13 and name n )         67.83 68.52
   !!    N13
 assign (resid 12 and name c ) (resid 13 and name n )
        (resid 13 and name ca) (resid 13 and name c )
        (resid 14 and name n )                           54.65 38.26
  !!    N14
 assign (resid 13 and name c ) (resid 14 and name n ) 
        (resid 14 and name ca) (resid 14 and name c )
 (resid 15 and name n )          53.36 41.46
  !!    I15
 assign (resid 14 and name c ) (resid 15 and name n ) 
        (resid 15 and name ca) (resid 15 and name c )
 (resid 16 and name n )          60.88 41.34
  !!    T16
 assign (resid 15 and name c ) (resid 16 and name n ) 
        (resid 16 and name ca) (resid 16 and name c ) 
 (resid 17 and name n )         60.80 71.26
  !!    L17
 assign (resid 16 and name c ) (resid 17 and name n ) 
        (resid 17 and name ca) (resid 17 and name c ) 
 (resid 18 and name n )         58.69 41.33
  !!    E18
 assign (resid 17 and name c ) (resid 18 and name n ) 
        (resid 18 and name ca) (resid 18 and name c )
 (resid 19 and name n )          59.99 29.15
  !!    D19
assign  (resid 18 and name c ) (resid 19 and name n )
        (resid 19 and name ca) (resid 19 and name c )
        (resid 20 and name n )          56.59 41.31
  !!    L20
 assign (resid 19 and name c ) (resid 20 and name n ) 
        (resid 20 and name ca) (resid 20 and name c )
 (resid 21 and name n )          56.91 41.10
  !!    E21
 assign (resid 20 and name c ) (resid 21 and name n ) 
        (resid 21 and name ca) (resid 21 and name c )
 (resid 22 and name n )          59.27 28.92
  !!    E22
 assign (resid 21 and name c ) (resid 22 and name n ) 
        (resid 22 and name ca) (resid 22 and name c )
 (resid 23 and name n )                 58.59 28.24
  !!    L23
 assign (resid 22 and name c ) (resid 23 and name n )
        (resid 23 and name ca) (resid 23 and name c )
 (resid 24 and name n )                57.79 39.62
  !!    K24
 assign (resid 23 and name c ) (resid 24 and name n )
        (resid 24 and name ca) (resid 24 and name c )
 (resid 25 and name n )        60.55 31.81
  !!    S25
 assign (resid 24 and name c ) (resid 25 and name n )
        (resid 25 and name ca) (resid 25 and name c )
 (resid 26 and name n )        61.56 62.57
  !!    A26
 assign (resid 25 and name c ) (resid 26 and name n ) 
        (resid 26 and name ca) (resid 26 and name c ) 
 (resid 27 and name n )         54.25 18.71
  !!    C27
 assign (resid 26 and name c ) (resid 27 and name n ) 
        (resid 27 and name ca) (resid 27 and name c )
 (resid 28 and name n )          59.38 28.63
  !!    K28
 assign (resid 27 and name c ) (resid 28 and name n ) 
        (resid 28 and name ca) (resid 28 and name c )
 (resid 29 and name n )         58.42 31.55
  !!    E29
 assign (resid 28 and name c ) (resid 29 and name n ) 
        (resid 29 and name ca) (resid 29 and name c ) 
  (resid 30 and name n )         58.24 28.86
  !!    D30
 assign (resid 29 and name c ) (resid 30 and name n )
        (resid 30 and name ca) (resid 30 and name c )
        (resid 31 and name n )         55.88 41.53
  !! I31
 assign (resid 30  and name c ) (resid 31  and name n )
        (resid 31  and name ca) (resid 31  and name c )
        (resid 32  and name n )                           58.03 38.77
  !! P32
 assign (resid 31  and name c ) (resid 32  and name n )
        (resid 32  and name ca) (resid 32  and name c )
        (resid 33  and name n )                           62.85 32.51
  !! R33
 assign (resid 32  and name c ) (resid 33  and name n )
        (resid 33  and name ca) (resid 33  and name c )
        (resid 34  and name n )                           61.13 63.00
  !!    E34
 assign (resid 33 and name c ) (resid 34 and name n )
        (resid 34 and name ca) (resid 34 and name c )
        (resid 35 and name n )         58.70 28.71
  !!    K35
 assign (resid 34 and name c ) (resid 35 and name n )
        (resid 35 and name ca) (resid 35 and name c )
        (resid 36 and name n )         55.46 32.26
  !! S36
 assign (resid 35  and name c ) (resid 36  and name n )
        (resid 36  and name ca) (resid 36  and name c )
        (resid 37  and name n )                           61.45 62.82
  !!    E37
 assign (resid 36 and name c ) (resid 37 and name n ) 
        (resid 37 and name ca) (resid 37 and name c )   
 (resid 38 and name n )       58.11 29.54
  !!    E38
 assign (resid 37 and name c ) (resid 38 and name n ) 
        (resid 38 and name ca) (resid 38 and name c ) 
 (resid 39 and name n )         56.49 30.10
  !!    I39
 assign (resid 38 and name c ) (resid 39 and name n )
        (resid 39 and name ca) (resid 39 and name c )
        (resid 40 and name n )         60.92 37.40
  !!    T40
 assign (resid 39 and name c ) (resid 40 and name n ) 
        (resid 40 and name ca) (resid 40 and name c )  
 (resid 41 and name n )        61.17 69.91
  !!    T41
 assign (resid 40 and name c ) (resid 41 and name n ) 
        (resid 41 and name ca) (resid 41 and name c )  
 (resid 42 and name n )        59.12 73.44
  !!    G42
 assign (resid 41 and name c ) (resid 42 and name n ) 
        (resid 42 and name ca) (resid 42 and name c ) 
 (resid 43 and name n )         47.51 0.00
  !!    S43
 assign (resid 42 and name c ) (resid 43 and name n ) 
        (resid 43 and name ca) (resid 43 and name c )
 (resid 44 and name n )          61.52 62.45
  !!    A44
 assign (resid 43 and name c ) (resid 44 and name n ) 
        (resid 44 and name ca) (resid 44 and name c ) 
 (resid 45 and name n )         54.53 19.33
  !!    W45
 assign (resid 44 and name c ) (resid 45 and name n ) 
        (resid 45 and name ca) (resid 45 and name c )
 (resid 46 and name n )          61.63 27.52
  !!    F46
 assign (resid 45 and name c ) (resid 46 and name n ) 
        (resid 46 and name ca) (resid 46 and name c )
 (resid 47 and name n )          61.69 37.85
  !!    S47
 assign (resid 46 and name c ) (resid 47 and name n ) 
        (resid 47 and name ca) (resid 47 and name c )
 (resid 48 and name n )          61.72 62.77
  !!    F48
 assign (resid 47 and name c ) (resid 48 and name n ) 
        (resid 48 and name ca) (resid 48 and name c )
 (resid 49 and name n )          61.79 38.93
  !!    L49
 assign (resid 48 and name c ) (resid 49 and name n ) 
        (resid 49 and name ca) (resid 49 and name c ) 
 (resid 50 and name n )         58.23 41.53
  !!    E50
 assign (resid 49 and name c ) (resid 50 and name n ) 
        (resid 50 and name ca) (resid 50 and name c )
 (resid 51 and name n )          59.18 30.62
  !!    S51
 assign (resid 50 and name c ) (resid 51 and name n ) 
        (resid 51 and name ca) (resid 51 and name c )
 (resid 52 and name n )          60.58 62.88
  !!    H52
 assign (resid 51 and name c ) (resid 52 and name n ) 
        (resid 52 and name ca) (resid 52 and name c ) 
 (resid 53 and name n )         56.42 28.42
  !!    N53
 assign (resid 52 and name c ) (resid 53 and name n ) 
        (resid 53 and name ca) (resid 53 and name c ) 
 (resid 54 and name n )         54.81 36.76
  !!    K54
 assign (resid 53 and name c ) (resid 54 and name n )
        (resid 54 and name ca) (resid 54 and name c )
  (resid 55 and name n )          54.26 33.55
  !!    L55
 assign (resid 54 and name c ) (resid 55 and name n )
        (resid 55 and name ca) (resid 55 and name c ) 
 (resid 56 and name n )         55.27 46.38
  !!    D56
 assign (resid 55 and name c ) (resid 56 and name n ) 
        (resid 56 and name ca) (resid 56 and name c )
 (resid 57 and name n )          53.67 42.32
  !!    K57
 assign (resid 56 and name c ) (resid 57 and name n ) 
        (resid 57 and name ca) (resid 57 and name c )
 (resid 58 and name n )          58.65 31.32
  !!    D58
 assign (resid 57 and name c ) (resid 58 and name n )
        (resid 58 and name ca) (resid 58 and name c )
 (resid 59 and name n )          54.28 43.06
  !!    N59
 assign (resid 58 and name c ) (resid 59 and name n ) 
        (resid 59 and name ca) (resid 59 and name c )
 (resid 60 and name n )          52.73 38.88
  !!    L60
 assign (resid 59 and name c ) (resid 60 and name n ) 
        (resid 60 and name ca) (resid 60 and name c )
 (resid 61 and name n )          54.25 42.19
  !!    S61
 assign (resid 60 and name c ) (resid 61 and name n ) 
        (resid 61 and name ca) (resid 61 and name c )
 (resid 62 and name n )          62.00 62.99
  !!    Y62
 assign (resid 61 and name c ) (resid 62 and name n ) 
        (resid 62 and name ca) (resid 62 and name c ) 
 (resid 63 and name n )         62.21 38.93
  !!    I63
 assign (resid 62 and name c ) (resid 63 and name n ) 
        (resid 63 and name ca) (resid 63 and name c )
 (resid 64 and name n )          65.12 37.38
  !!    E64
 assign (resid 63 and name c ) (resid 64 and name n ) 
        (resid 64 and name ca) (resid 64 and name c )
 (resid 65 and name n )          60.90 30.24
  !!    H65
 assign (resid 64 and name c ) (resid 65 and name n ) 
        (resid 65 and name ca) (resid 65 and name c ) 
 (resid 66 and name n )         59.02 28.59
  !!    I66
 assign (resid 65 and name c ) (resid 66 and name n ) 
        (resid 66 and name ca) (resid 66 and name c )
 (resid 67 and name n )          61.74 35.09
  !!    F67
 assign (resid 66 and name c ) (resid 67 and name n )
        (resid 67 and name ca) (resid 67 and name c )
 (resid 68 and name n )          57.68 36.68
  !!    E68
 assign (resid 67 and name c ) (resid 68 and name n )
        (resid 68 and name ca) (resid 68 and name c )
        (resid 69 and name n )          60.10 29.74
  !!    I69
 assign (resid 68 and name c ) (resid 69 and name n ) 
        (resid 69 and name ca) (resid 69 and name c ) 
   (resid 70 and name n )         64.23 37.63
  !!    S70
 assign (resid 69 and name c ) (resid 70 and name n ) 
        (resid 70 and name ca) (resid 70 and name c )
 (resid 71 and name n )          58.50 63.03
  !!    R71
 assign (resid 70 and name c ) (resid 71 and name n ) 
        (resid 71 and name ca) (resid 71 and name c ) 
 (resid 72 and name n )         56.45 26.35
  !!    R72
 assign (resid 71 and name c ) (resid 72 and name n ) 
        (resid 72 and name ca) (resid 72 and name c ) 
 (resid 73 and name n )         49.61 28.56
  !!    P73
 assign (resid 72 and name c ) (resid 73 and name n ) 
        (resid 73 and name ca) (resid 73 and name c )
 (resid 74 and name n )         64.70 31.33
  !!    D74
 assign (resid 73 and name c ) (resid 74 and name n )
        (resid 74 and name ca) (resid 74 and name c )
 (resid 75 and name n )          55.99 38.04
  !!    L75
 assign (resid 74 and name c ) (resid 75 and name n )
        (resid 75 and name ca) (resid 75 and name c )
        (resid 76 and name n )                            56.36 38.64
  !!    L76
 assign (resid 75 and name c ) (resid 76 and name n )
        (resid 76 and name ca) (resid 76 and name c ) 
 (resid 77 and name n )       58.85 42.61
  !!    T77
 assign (resid 76 and name c ) (resid 77 and name n )
        (resid 77 and name ca) (resid 77 and name c )
 (resid 78 and name n )          66.88 68.99
  !!    M78
 assign (resid 77 and name c ) (resid 78 and name n )
        (resid 78 and name ca) (resid 78 and name c )
 (resid 79 and name n )          59.84 32.70
  !!    V79
 assign (resid 78 and name c ) (resid 79 and name n )
        (resid 79 and name ca) (resid 79 and name c )
 (resid 80 and name n )          66.98 32.03
  !! V80
 assign (resid 79  and name c ) (resid 80  and name n )
        (resid 80  and name ca) (resid 80  and name c )
        (resid 81  and name n )                           67.11 31.85
  !! D81
 assign (resid 80  and name c ) (resid 81  and name n )
        (resid 81  and name ca) (resid 81  and name c )
        (resid 82  and name n )                           57.68 40.57
  !! Y82
 assign (resid 81  and name c ) (resid 82  and name n )
        (resid 82  and name ca) (resid 82  and name c )
        (resid 83  and name n )                           61.50 38.62
  !! R83
 assign (resid 82  and name c ) (resid 83  and name n )
        (resid 83  and name ca) (resid 83  and name c )
        (resid 84  and name n )                           59.88 30.38
  !! T84
 assign (resid 83  and name c ) (resid 84  and name n )
        (resid 84  and name ca) (resid 84  and name c )
        (resid 85  and name n )                           65.32 69.27
  !! R85
 assign (resid 84  and name c ) (resid 85  and name n )
        (resid 85  and name ca) (resid 85  and name c )
        (resid 86  and name n )                           58.91 30.81
  !! V86
 assign (resid 85  and name c ) (resid 86  and name n )
        (resid 86  and name ca) (resid 86  and name c )
        (resid 87  and name n )                           64.26 31.71
  !! L87
 assign (resid 86  and name c ) (resid 87  and name n )
        (resid 87  and name ca) (resid 87  and name c )
        (resid 88  and name n )                           56.06 41.73
  !! K88
 assign (resid 87  and name c ) (resid 88  and name n )
        (resid 88  and name ca) (resid 88  and name c )
        (resid 89  and name n )                           56.69 32.12
  !! I89
 assign (resid 88  and name c ) (resid 89  and name n )
        (resid 89  and name ca) (resid 89  and name c )
        (resid 90  and name n )                           61.87 38.66
  !! S90
 assign (resid 89  and name c ) (resid 90  and name n )
        (resid 90  and name ca) (resid 90  and name c )
        (resid 91  and name n )                           58.58 63.90
{  !! E91
 assign (resid 90  and name c ) (resid 91  and name n )
        (resid 91  and name ca) (resid 91  and name c )
        (resid 92  and name n )                           57.28 30.25
  !! E92
 assign (resid 91  and name c ) (resid 92  and name n )
        (resid 92  and name ca) (resid 92  and name c )
        (resid 93  and name n )                           57.21 30.26
  !! D93
 assign (resid 92  and name c ) (resid 93  and name n )
        (resid 93  and name ca) (resid 93  and name c )
        (resid 94  and name n )                           54.86 41.43
  !! E94
 assign (resid 93  and name c ) (resid 94  and name n )
        (resid 94  and name ca) (resid 94  and name c )
        (resid 95  and name n )                           56.99 30.19
  !! L95
 assign (resid 94  and name c ) (resid 95  and name n )
        (resid 95  and name ca) (resid 95  and name c )
        (resid 96  and name n )                           55.81 42.30
  !! D96
 assign (resid 95  and name c ) (resid 96  and name n )
        (resid 96  and name ca) (resid 96  and name c )
        (resid 97  and name n )                           54.85 41.18
  !! T97
 assign (resid 96  and name c ) (resid 97  and name n )
        (resid 97  and name ca) (resid 97  and name c )
        (resid 98  and name n )                           62.73 69.26
  !! K98
 assign (resid 97  and name c ) (resid 98  and name n )
        (resid 98  and name ca) (resid 98  and name c )
        (resid 99  and name n )                           57.22 32.48
  !! L99
 assign (resid 98  and name c ) (resid 99  and name n )
        (resid 99  and name ca) (resid 99  and name c )
        (resid 100 and name n )                           55.49 41.86
  !! T100
 assign (resid 99  and name c ) (resid 100  and name n )
        (resid 100 and name ca) (resid 100  and name c )
        (resid 101 and name n )                           62.07 69.49
  !! R101
 assign (resid 100 and name c ) (resid 101  and name n )
        (resid 101 and name ca) (resid 101  and name c )
        (resid 102 and name n )                           55.94 30.82
  !! I102
 assign (resid 101 and name c ) (resid 102  and name n )
        (resid 102 and name ca) (resid 102  and name c )
        (resid 103 and name n )                           58.70 38.49
  !! P103
 assign (resid 102 and name c ) (resid 103  and name n )
        (resid 103 and name ca) (resid 103  and name c )
        (resid 104 and name n )                           63.44 32.13
  !! S104
 assign (resid 103 and name c ) (resid 104  and name n )
        (resid 104 and name ca) (resid 104  and name c )
        (resid 105 and name n )                           58.32 63.74
  !! A105
 assign (resid 104 and name c ) (resid 105  and name n )
        (resid 105 and name ca) (resid 105  and name c )
        (resid 106 and name n )                           52.66 19.25
  !! K106
 assign (resid 105 and name c ) (resid 106  and name n )
        (resid 106 and name ca) (resid 106  and name c )
        (resid 107 and name n )                           56.43 33.07
  !! K107
 assign (resid 106 and name c ) (resid 107  and name n )
        (resid 107 and name ca) (resid 107  and name c )
        (resid 108 and name n )                           56.20 33.12
  !! Y108
 assign (resid 107 and name c ) (resid 108  and name n )
        (resid 108 and name ca) (resid 108  and name c )
        (resid 109 and name n )                           57.80 38.91
  !! K109
 assign (resid 108 and name c ) (resid 109  and name n )
        (resid 109 and name ca) (resid 109  and name c )
        (resid 110 and name n )                           56.33 33.22
  !! D110
 assign (resid 109 and name c ) (resid 110  and name n )
        (resid 110 and name ca) (resid 110  and name c )
        (resid 111 and name n )                           54.50 41.39
  !! I111
 assign (resid 110 and name c ) (resid 111  and name n )
        (resid 111 and name ca) (resid 111  and name c )
        (resid 112 and name n )                           61.15 38.82
  !! I112
 assign (resid 111 and name c ) (resid 112  and name n )
        (resid 112 and name ca) (resid 112  and name c )
        (resid 113 and name n )                           60.96 38.47
  !! R113
 assign (resid 112 and name c ) (resid 113  and name n )
        (resid 113 and name ca) (resid 113  and name c )
        (resid 114 and name n )                           55.67 31.05
  !! Q114
 assign (resid 113 and name c ) (resid 114  and name n )
        (resid 114 and name ca) (resid 114  and name c )
        (resid 115 and name n )                           53.56 28.81
  !! P115
 assign (resid 114 and name c ) (resid 115  and name n )
        (resid 115 and name ca) (resid 115  and name c )
        (resid 116 and name n )                           63.42 32.11
  !! S116
 assign (resid 115 and name c ) (resid 116  and name n )
        (resid 116 and name ca) (resid 116  and name c )
        (resid 117 and name n )                           58.22 64.07
  !! E117
 assign (resid 116 and name c ) (resid 117  and name n )
        (resid 117 and name ca) (resid 117  and name c )
        (resid 118 and name n )                           57.72 30.08
  !! E118
 assign (resid 117 and name c ) (resid 118  and name n )
        (resid 118 and name ca) (resid 118  and name c )
        (resid 119 and name n )                           57.47 30.14
  !! E119
 assign (resid 118 and name c ) (resid 119  and name n )
        (resid 119 and name ca) (resid 119  and name c )
        (resid 120 and name n )                           57.21 30.29
  !! I120
 assign (resid 119 and name c ) (resid 120  and name n )
        (resid 120 and name ca) (resid 120  and name c )
        (resid 121 and name n )                           61.98 38.45
  !! I121
 assign (resid 120 and name c ) (resid 121  and name n )
        (resid 121 and name ca) (resid 121  and name c )
        (resid 122 and name n )                           61.74 38.29
  !! K122
 assign (resid 121 and name c ) (resid 122  and name n )
        (resid 122 and name ca) (resid 122  and name c )
        (resid 123 and name n )                           56.39 33.00
  !! L123
 assign (resid 122 and name c ) (resid 123  and name n )
        (resid 123 and name ca) (resid 123  and name c )
        (resid 124 and name n )                           54.80 42.53
  !! A124
 assign (resid 123 and name c ) (resid 124  and name n )
        (resid 124 and name ca) (resid 124  and name c )
        (resid 125 and name n )                           50.35 18.22
  !! P125
 assign (resid 124 and name c ) (resid 125  and name n )
        (resid 125 and name ca) (resid 125  and name c )
        (resid 126 and name n )                           61.36 33.31
  !! P126
 assign (resid 125 and name c ) (resid 126  and name n )
        (resid 126 and name ca) (resid 126  and name c )
        (resid 127 and name n )                           61.35 30.80
  !! P127
 assign (resid 126 and name c ) (resid 127  and name n )
        (resid 127 and name ca) (resid 127  and name c )
        (resid 128 and name n )                           62.74 32.10
  !! K128
 assign (resid 127 and name c ) (resid 128  and name n )
        (resid 128 and name ca) (resid 128  and name c )
        (resid 129 and name n )                           56.16 33.29
  !! K129
 assign (resid 128 and name c ) (resid 129  and name n )
        (resid 129 and name ca) (resid 129  and name c )
        (resid 130 and name n )                           56.23 33.29
  !! A130
 assign (resid 129 and name c ) (resid 130  and name n )
        (resid 130 and name ca) (resid 130  and name c )
        (resid 131 and name n )                           53.79 20.23
}!remark phi and psi angle constraints for PEA-15

!couplings not measured 12,24,33,49,57,68,93,94,99,104,105,107,108,109,110
!coupling for 12,24,33,49,57 estimated to be < 5Hz
!coupling for 93,94,99,107,108 estimated to be ~ 7Hz

  !!    A2
 assign (resid 1 and name c ) (resid 2 and name n )
        (resid 2 and name ca) (resid 2 and name c )     1.0 -63.0 30.0 2
  !!    A2
 assign (resid 2 and name n ) (resid 2 and name ca)
        (resid 2 and name c ) (resid 3 and name n )     1.0 -44.0 30.0 2
  !!    E3
 assign (resid 2 and name c ) (resid 3 and name n )
        (resid 3 and name ca) (resid 3 and name c )     1.0 -64.0 30.0 2
  !!    E3
 assign (resid 3 and name n ) (resid 3 and name ca)
        (resid 3 and name c ) (resid 4 and name n )     1.0 -39.0 30.0 2
  !!    Y4
 assign (resid 3 and name c ) (resid 4 and name n )
        (resid 4 and name ca) (resid 4 and name c )     1.0 -62.0 30.0 2 
  !!    Y4
 assign (resid 4 and name n ) (resid 4 and name ca)
        (resid 4 and name c ) (resid 5 and name n )     1.0 -43.0 30.0 2
  !!    G5
 assign (resid 4 and name c ) (resid 5 and name n )
        (resid 5 and name ca) (resid 5 and name c )     1.0 -64.0 30.0 2
  !!    G5
 assign (resid 5 and name n ) (resid 5 and name ca)
        (resid 5 and name c ) (resid 6 and name n )     1.0 -40.0 30.0 2
  !!    T6
 assign (resid 5 and name c ) (resid 6 and name n )
        (resid 6 and name ca) (resid 6 and name c )     1.0 -63.0 30.0 2
  !!    T6
 assign (resid 6 and name n ) (resid 6 and name ca)
        (resid 6 and name c ) (resid 7 and name n )     1.0 -44.0 30.0 2
  !!    L7
 assign (resid 6 and name c ) (resid 7 and name n )
        (resid 7 and name ca) (resid 7 and name c )     1.0 -61.0 30.0 2
  !!    L7
 assign (resid 7 and name n ) (resid 7 and name ca)
        (resid 7 and name c ) (resid 8 and name n )     1.0 -42.0 30.0 2
  !!    L8
 assign (resid 7 and name c ) (resid 8 and name n )
        (resid 8 and name ca) (resid 8 and name c )     1.0 -64.0 30.0 2
  !!    L8
 assign (resid 8 and name n ) (resid 8 and name ca)
        (resid 8 and name c ) (resid 9 and name n )     1.0 -43.0 30.0 2
  !!    Q9
 assign (resid 8 and name c ) (resid 9 and name n )
        (resid 9 and name ca) (resid 9 and name c )     1.0 -63.0 30.0 2
  !!    Q9
 assign (resid 9 and name n ) (resid  9 and name ca)
        (resid 9 and name c ) (resid 10 and name n )    1.0 -41.0 30.0 2
  !!    D10
 assign (resid  9 and name c ) (resid 10 and name n )
        (resid 10 and name ca) (resid 10 and name c )   1.0 -62.0 30.0 2
  !!    D10
 assign (resid 10 and name n ) (resid 10 and name ca)
        (resid 10 and name c ) (resid 11 and name n )   1.0 -43.0 30.0 2
  !!    L11
 assign (resid 10 and name c ) (resid 11 and name n )
        (resid 11 and name ca) (resid 11 and name c )   1.0 -63.0 30.0 2
  !!    L11
 assign (resid 11 and name n ) (resid 11 and name ca)
        (resid 11 and name c ) (resid 12 and name n )   1.0 -42.0 30.0 2
  !!    T12
 assign (resid 11 and name c ) (resid 12 and name n )
        (resid 12 and name ca) (resid 12 and name c )   1.0 -63.0 30.0 2
  !!    T12
 assign (resid 12 and name n ) (resid 12 and name ca)
        (resid 12 and name c ) (resid 13 and name n )   1.0 -44.0 30.0 2
  !!    N13
 assign (resid 12 and name c ) (resid 13 and name n )
        (resid 13 and name ca) (resid 13 and name c )   1.0 -68.0 30.0 2
  !!    N13
 assign (resid 13 and name n ) (resid 13 and name ca)
        (resid 13 and name c ) (resid 14 and name n )   1.0 -30.0 30.0 2
  !!    N14
 assign (resid 13 and name c ) (resid 14 and name n )
        (resid 14 and name ca) (resid 14 and name c )   1.0 -120.0 40.0 2
  !!    I15
 assign (resid 14 and name c ) (resid 15 and name n ) 
        (resid 15 and name ca) (resid 15 and name c )   1.0 -118.0 40.0 2 
  !!    I15
 assign (resid 15 and name n ) (resid 15 and name ca)
        (resid 15 and name c ) (resid 16 and name n )   1.0 122.0 30.0 2
  !!    T16
 assign (resid 15 and name c ) (resid 16 and name n )
        (resid 16 and name ca) (resid 16 and name c )   1.0 -87.0 30.0 2
  !!    T16
 assign (resid 16 and name n ) (resid 16 and name ca)
        (resid 16 and name c ) (resid 17 and name n )   1.0 162.0 30.0 2
  !! L17
 assign (resid 16 and name c ) (resid 17 and name n )
        (resid 17 and name ca) (resid 17 and name c )   1.0 -64.0 30.0 2
  !!    L17
 assign (resid 17 and name n ) (resid 17 and name ca)
        (resid 17 and name c ) (resid 18 and name n )   1.0 -35.0 30.0 2
  !! E18
 assign (resid 17 and name c ) (resid 18 and name n )
        (resid 18 and name ca) (resid 18 and name c )   1.0 -65.0 30.0 2
  !!    E18
 assign (resid 18 and name n ) (resid 18 and name ca)
        (resid 18 and name c ) (resid 19 and name n )   1.0 -41.0 30.0 2
  !!    D19
 assign (resid 18 and name c ) (resid 19 and name n ) 
        (resid 19 and name ca) (resid 19 and name c )   1.0 -64.0 30.0 2
  !!    D19
 assign (resid 19 and name n ) (resid 19 and name ca)
        (resid 19 and name c ) (resid 20 and name n )   1.0 -46.0 30.0 2
  !!    L20
 assign (resid 19 and name c ) (resid 20 and name n ) 
        (resid 20 and name ca) (resid 20 and name c )   1.0 -60.0 30.0 2
  !!    L20
 assign (resid 20 and name n ) (resid 20 and name ca)
        (resid 20 and name c ) (resid 21 and name n )   1.0 -42.0 30.0 2
  !!    E21
 assign (resid 20 and name c ) (resid 21 and name n )
        (resid 21 and name ca) (resid 21 and name c )   1.0 -61.0 30.0 2
  !!    E21
 assign (resid 21 and name n ) (resid 21 and name ca)
        (resid 21 and name c ) (resid 22 and name n )   1.0 -40.0 30.0 2
  !!    Q22
 assign (resid 21 and name c ) (resid 22 and name n ) 
        (resid 22 and name ca) (resid 22 and name c )   1.0 -62.0 30.0 2
  !!    Q22
 assign (resid 22 and name n ) (resid 22 and name ca)
        (resid 22 and name c ) (resid 23 and name n )   1.0 -43.0 30.0 2
  !!    L23
 assign (resid 22 and name c ) (resid 23 and name n )
        (resid 23 and name ca) (resid 23 and name c )   1.0 -64.0 30.0 2
  !!    L23
 assign (resid 23 and name n ) (resid 23 and name ca)
        (resid 23 and name c ) (resid 24 and name n )   1.0 -39.0 30.0 2
  !!    K24
 assign (resid 23 and name c ) (resid 24 and name n )
        (resid 24 and name ca) (resid 24 and name c )   1.0 -62.0 30.0 2
  !!    K24
 assign (resid 24 and name n ) (resid 24 and name ca)
        (resid 24 and name c ) (resid 25 and name n )   1.0 -41.0 30.0 2
  !!    S25
 assign (resid 24 and name c ) (resid 25 and name n )
        (resid 25 and name ca) (resid 25 and name c )   1.0 -65.0 30.0 2
  !!    S25
 assign (resid 25 and name n ) (resid 25 and name ca)
        (resid 25 and name c ) (resid 26 and name n )   1.0 -41.0 30.0 2
  !!    A26
 assign (resid 25 and name c ) (resid 26 and name n )
        (resid 26 and name ca) (resid 26 and name c )   1.0 -61.0 30.0 2
  !!    A26
 assign (resid 26 and name n ) (resid 26 and name ca)
        (resid 26 and name c ) (resid 27 and name n )   1.0 -45.0 30.0 2
  !!    C27
 assign (resid 26 and name c ) (resid 27 and name n )
        (resid 27 and name ca) (resid 27 and name c )   1.0 -80.0 30.0 2
  !!    C27
 assign (resid 27 and name n ) (resid 27 and name ca)
        (resid 27 and name c ) (resid 28 and name n )   1.0 -42.0 40.0 2
  !!    K28
 assign (resid 27 and name c ) (resid 28 and name n )
        (resid 28 and name ca) (resid 28 and name c )   1.0 -62.0 30.0 2
  !!    K28
 assign (resid 28 and name n ) (resid 28 and name ca)
        (resid 28 and name c ) (resid 29 and name n )   1.0 -43.0 40.0 2
  !!    E29
 assign (resid 28 and name c ) (resid 29 and name n )
        (resid 29 and name ca) (resid 29 and name c )   1.0 -65.0 30.0 2
  !!    E29
 assign (resid 29 and name n ) (resid 29 and name ca)
        (resid 29 and name c ) (resid 30 and name n )   1.0 -42.0 30.0 2
  !!    D30
 assign (resid 29 and name c ) (resid 30 and name n )
        (resid 30 and name ca) (resid 30 and name c )   1.0 -85.0 30.0 2
  !!    D30
 assign (resid 30 and name n ) (resid 30 and name ca)
        (resid 30 and name c ) (resid 31 and name n )   1.0 -23.0 30.0 2
  !!    I31
 assign (resid 30 and name c ) (resid 31 and name n )
        (resid 31 and name ca) (resid 31 and name c )   1.0 -114.0 40.0 2
  !!    I31
 assign (resid 31 and name n ) (resid 31 and name ca)
        (resid 31 and name c ) (resid 32 and name n )   1.0 124.0 30.0 2
  !!    P32
 assign (resid 31 and name c ) (resid 32 and name n )
        (resid 32 and name ca) (resid 32 and name c )   1.0 -63.0 30.0 2
  !!    P32
 assign (resid 32 and name n ) (resid 32 and name ca)
        (resid 32 and name c ) (resid 33 and name n )   1.0 146.0 30.0 2
  !!    S33
 assign (resid 32 and name c ) (resid 33 and name n )
        (resid 33 and name ca) (resid 33 and name c )   1.0 -62.0 30.0 2
  !!    S33
 assign (resid 33 and name n ) (resid 33 and name ca)
        (resid 33 and name c ) (resid 34 and name n )   1.0 -35.0 30.0 2
  !!    E34
 assign (resid 33 and name c ) (resid 34 and name n )
        (resid 34 and name ca) (resid 34 and name c )   1.0 -63.0 30.0 2
  !!    E34
 assign (resid 34 and name n ) (resid 34 and name ca)
        (resid 34 and name c ) (resid 35 and name n )   1.0 -34.0 30.0 2
  !!    K35
 assign (resid 34 and name c ) (resid 35 and name n )
        (resid 35 and name ca) (resid 35 and name c )   1.0 -74.0 40.0 2
  !!    K35
 assign (resid 35 and name n ) (resid 35 and name ca)
        (resid 35 and name c ) (resid 36 and name n )   1.0 -27.0 30.0 2
  !!    S36
 assign (resid 35 and name c ) (resid 36 and name n )
        (resid 36 and name ca) (resid 36 and name c )   1.0 -60.0 30.0 2
  !!    S36
 assign (resid 36 and name n ) (resid 36 and name ca)
        (resid 36 and name c ) (resid 37 and name n )   1.0 -43.0 30.0 2
  !!    E37
 assign (resid 36 and name c ) (resid 37 and name n )
        (resid 37 and name ca) (resid 37 and name c )   1.0 -63.0 30.0 2
  !!    E37
 assign (resid 37 and name n ) (resid 37 and name ca)
        (resid 37 and name c ) (resid 38 and name n )   1.0 -31.0 30.0 2
  !!    E38
 assign (resid 37 and name c ) (resid 38 and name n )
        (resid 38 and name ca) (resid 38 and name c )   1.0 -85.0 30.0 2
  !!    E38
 assign (resid 38 and name n ) (resid 38 and name ca)
        (resid 38 and name c ) (resid 39 and name n )   1.0 -9.0 30.0 2
  !!    I39
 assign (resid 38 and name c ) (resid 39 and name n )
        (resid 39 and name ca) (resid 39 and name c )   1.0 -85.0 30.0 2
  !!    T40
 assign (resid 39 and name c ) (resid 40 and name n )
        (resid 40 and name ca) (resid 40 and name c )   1.0 -80.0 30.0 2
  !!    T41
 assign (resid 40 and name c ) (resid 41 and name n )
        (resid 41 and name ca) (resid 41 and name c )   1.0 -150.0 30.0 2
  !!    T41
 assign (resid 41 and name n ) (resid 41 and name ca)
        (resid 41 and name c ) (resid 42 and name n )   1.0 161.0 30.0 2
  !!    G42
 assign (resid 41 and name c ) (resid 42 and name n ) 
        (resid 42 and name ca) (resid 42 and name c )   1.0 -61.0 30.0 2
  !!    G42
 assign (resid 42 and name n ) (resid 42 and name ca)
        (resid 42 and name c ) (resid 43 and name n )   1.0 -36.0 30.0 2
  !! S43
 assign (resid 42 and name c ) (resid 43 and name n )
        (resid 43 and name ca) (resid 43 and name c )   1.0 -61.0 30.0 2
  !!    S43
 assign (resid 43 and name n ) (resid 43 and name ca)
        (resid 43 and name c ) (resid 44 and name n )   1.0 -43.0 30.0 2
  !!    A44
 assign (resid 43 and name c ) (resid 44 and name n ) 
        (resid 44 and name ca) (resid 44 and name c )   1.0 -67.0 30.0 2
  !!    A44
 assign (resid 44 and name n ) (resid 44 and name ca)
        (resid 44 and name c ) (resid 45 and name n )   1.0 -38.0 30.0 2
  !!    W45
 assign (resid 44 and name c ) (resid 45 and name n ) 
        (resid 45 and name ca) (resid 45 and name c )   1.0 -65.0 30.0 2
  !!    W45
 assign (resid 45 and name n ) (resid 45 and name ca)
        (resid 45 and name c ) (resid 46 and name n )   1.0 -43.0 30.0 2
  !!    F46
 assign (resid 45 and name c ) (resid 46 and name n )
        (resid 46 and name ca) (resid 46 and name c )   1.0 -59.0 30.0 2
  !!    F46
 assign (resid 46 and name n ) (resid 46 and name ca)
        (resid 46 and name c ) (resid 47 and name n )   1.0 -41.0 30.0 2
  !!    S47
 assign (resid 46 and name c ) (resid 47 and name n )
        (resid 47 and name ca) (resid 47 and name c )   1.0 -63.0 30.0 2
  !!    S47
 assign (resid 47 and name n ) (resid 47 and name ca)
        (resid 47 and name c ) (resid 48 and name n )   1.0 -41.0 30.0 2
  !!    F48
 assign (resid 47 and name c ) (resid 48 and name n )
        (resid 48 and name ca) (resid 48 and name c )   1.0 -66.0 30.0 2
  !!    F48
 assign (resid 48 and name n ) (resid 48 and name ca)
        (resid 48 and name c ) (resid 49 and name n )   1.0 -44.0 30.0 2
  !!    L49
 assign (resid 48 and name c ) (resid 49 and name n ) 
        (resid 49 and name ca) (resid 49 and name c )   1.0 -63.0 30.0 2
  !!    L49
 assign (resid 49 and name n ) (resid 49 and name ca)
        (resid 49 and name c ) (resid 50 and name n )   1.0 -44.0 30.0 2
  !!    E50
 assign (resid 49 and name c ) (resid 50 and name n ) 
        (resid 50 and name ca) (resid 50 and name c )   1.0 -63.0 30.0 2
  !!    E50
 assign (resid 50 and name n ) (resid 50 and name ca)
        (resid 50 and name c ) (resid 51 and name n )   1.0 -42.0 30.0 2
  !!    S51
 assign (resid 50 and name c ) (resid 51 and name n )
        (resid 51 and name ca) (resid 51 and name c )   1.0 -66.0 30.0 2
  !!    S51
 assign (resid 51 and name n ) (resid 51 and name ca)
        (resid 51 and name c ) (resid 52 and name n )   1.0 -43.0 30.0 2
  !!    H52
 assign (resid 51 and name c ) (resid 52 and name n )
        (resid 52 and name ca) (resid 52 and name c )   1.0 -120.0 40.0 2
  !!    N53
 assign (resid 52 and name c ) (resid 53 and name n )
        (resid 53 and name ca) (resid 53 and name c )   1.0 -64.0 30.0 2
  !!    K54
 assign (resid 53 and name c ) (resid 54 and name n )
        (resid 54 and name ca) (resid 54 and name c )   1.0 -120.0 40.0 2
  !!    K54
 assign (resid 54 and name n ) (resid 54 and name ca)
        (resid 54 and name c ) (resid 55 and name n )   1.0 -3.0 30.0 2
  !!    D56
 assign (resid 55 and name c ) (resid 56 and name n ) 
        (resid 56 and name ca) (resid 56 and name c )   1.0 -60.0 30.0 2
  !!    D56
 assign (resid 56 and name n ) (resid 56 and name ca)
        (resid 56 and name c ) (resid 57 and name n )   1.0 160.0 30.0 2
  !!    K57
 assign (resid 56 and name c ) (resid 57 and name n ) 
        (resid 57 and name ca) (resid 57 and name c )   1.0 -64.0 30.0 2
  !!    K57
 assign (resid 57 and name n ) (resid 57 and name ca)
        (resid 57 and name c ) (resid 58 and name n )   1.0 -26.0 30.0 2
  !!    D58
 assign (resid 57 and name c ) (resid 58 and name n ) 
        (resid 58 and name ca) (resid 58 and name c )   1.0 -91.0 40.0 2
  !!    D58
 assign (resid 58 and name n ) (resid 58 and name ca)
        (resid 58 and name c ) (resid 59 and name n )   1.0 -20.0 30.0 2
  !!    N59
 assign (resid 58 and name c ) (resid 59 and name n )
        (resid 59 and name ca) (resid 59 and name c )   1.0 -90.0 30.0 2
  !!    N59
 assign (resid 59 and name n ) (resid 59 and name ca)
        (resid 59 and name c ) (resid 60 and name n )   1.0 123.0 30.0 2
  !!    L60
 assign (resid 59 and name c ) (resid 60 and name n )
        (resid 60 and name ca) (resid 60 and name c )   1.0 -120.0 40.0 2
  !!    S61
 assign (resid 60 and name c ) (resid 61 and name n ) 
        (resid 61 and name ca) (resid 61 and name c )   1.0 -64.0 30.0 2
  !!    S61
 assign (resid 61 and name n ) (resid 61 and name ca)
        (resid 61 and name c ) (resid 62 and name n )   1.0 -36.0 30.0 2
  !!    Y62
 assign (resid 61 and name c ) (resid 62 and name n )
        (resid 62 and name ca) (resid 62 and name c )   1.0 -64.0 30.0 2
  !!    Y62
 assign (resid 62 and name n ) (resid 62 and name ca)
        (resid 62 and name c ) (resid 63 and name n )   1.0 -44.0 30.0 2
  !!    I63
 assign (resid 62 and name c ) (resid 63 and name n )
        (resid 63 and name ca) (resid 63 and name c )   1.0 -65.0 30.0 2
  !!    I63
 assign (resid 63 and name n ) (resid 63 and name ca)
        (resid 63 and name c ) (resid 64 and name n )   1.0 -44.0 30.0 2
  !!    E64
 assign (resid 63 and name c ) (resid 64 and name n )
        (resid 64 and name ca) (resid 64 and name c )   1.0 -64.0 30.0 2
  !!    E64
 assign (resid 64 and name n ) (resid 64 and name ca)
        (resid 64 and name c ) (resid 65 and name n )   1.0 -45.0 30.0 2
  !!    H65
 assign (resid 64 and name c ) (resid 65 and name n )
        (resid 65 and name ca) (resid 65 and name c )   1.0 -66.0 30.0 2
  !!    H65
 assign (resid 65 and name n ) (resid 65 and name ca)
        (resid 65 and name c ) (resid 66 and name n )   1.0 -45.0 30.0 2
  !!    I66
 assign (resid 65 and name c ) (resid 66 and name n )
        (resid 66 and name ca) (resid 66 and name c )   1.0 -63.0 30.0 2
  !!    I66
 assign (resid 66 and name n ) (resid 66 and name ca)
        (resid 66 and name c ) (resid 67 and name n )   1.0 -36.0 30.0 2
  !!    F67
 assign (resid 66 and name c ) (resid 67 and name n )
        (resid 67 and name ca) (resid 67 and name c )   1.0 -63.0 30.0 2
  !!    F67
 assign (resid 67 and name n ) (resid 67 and name ca)
        (resid 67 and name c ) (resid 68 and name n )   1.0 -34.0 30.0 2
  !!    E68
 assign (resid 67 and name c ) (resid 68 and name n )
        (resid 68 and name ca) (resid 68 and name c )   1.0 -61.0 30.0 2
  !!    E68
 assign (resid 68 and name n ) (resid 68 and name ca)
        (resid 68 and name c ) (resid 69 and name n )   1.0 -43.0 30.0 2
  !!    I69
 assign (resid 68 and name c ) (resid 69 and name n ) 
        (resid 69 and name ca) (resid 69 and name c )   1.0 -64.0 30.0 2
  !!    I69
 assign (resid 69 and name n ) (resid 69 and name ca)
        (resid 69 and name c ) (resid 70 and name n )   1.0 -39.0 30.0 2
  !!    S70
 assign (resid 69 and name c ) (resid 70 and name n )
        (resid 70 and name ca) (resid 70 and name c )   1.0 -90.0 40.0 2
  !!    R71
 assign (resid 70 and name c ) (resid 71 and name n )
        (resid 71 and name ca) (resid 71 and name c )   1.0 -80.0 30.0 2
  !!    R72
 assign (resid 71 and name c ) (resid 72 and name n )
        (resid 72 and name ca) (resid 72 and name c )   1.0 -120.0 40.0 2
  !!    P73
 assign (resid 72 and name c ) (resid 73 and name n )
        (resid 73 and name ca) (resid 73 and name c )   1.0 -61.0 30.0 2
  !!    P73
 assign (resid 73 and name n ) (resid 73 and name ca)
        (resid 73 and name c ) (resid 74 and name n )   1.0 -27.0 30.0 2
  !!    D74
 assign (resid 73 and name c ) (resid 74 and name n )
        (resid 74 and name ca) (resid 74 and name c )   1.0 -66.0 30.0 2
  !!    D74
 assign (resid 74 and name n ) (resid 74 and name ca)
        (resid 74 and name c ) (resid 75 and name n )   1.0 -39.0 30.0 2
  !!    L75
 assign (resid 74 and name c ) (resid 75 and name n )
        (resid 75 and name ca) (resid 75 and name c )   1.0 -67.0 30.0 2
  !!    L75
 assign (resid 75 and name n ) (resid 75 and name ca)
        (resid 75 and name c ) (resid 76 and name n )   1.0 -39.0 30.0 2
  !!    L76
 assign (resid 75 and name c ) (resid 76 and name n )
        (resid 76 and name ca) (resid 76 and name c )   1.0 -50.0 30.0 2
  !!    L76
 assign (resid 76 and name n ) (resid 76 and name ca)
        (resid 76 and name c ) (resid 77 and name n )   1.0 -40.0 30.0 2
  !!    T77
 assign (resid 76 and name c ) (resid 77 and name n )
        (resid 77 and name ca) (resid 77 and name c )   1.0 -55.0 30.0 2
  !!    T77
 assign (resid 77 and name n ) (resid 77 and name ca)
        (resid 77 and name c ) (resid 78 and name n )   1.0 -43.0 30.0 2
  !!    M78
 assign (resid 77 and name c ) (resid 78 and name n )
        (resid 78 and name ca) (resid 78 and name c )   1.0 -61.0 30.0 2
  !!    M78
 assign (resid 78 and name n ) (resid 78 and name ca)
        (resid 78 and name c ) (resid 79 and name n )   1.0 -44.0 30.0 2
  !! V79
 assign (resid 78 and name c ) (resid 79 and name n ) 
        (resid 79 and name ca) (resid 79 and name c )   1.0 -66.0 30.0 2
  !!    V79
 assign (resid 79 and name n ) (resid 79 and name ca)
        (resid 79 and name c ) (resid 80 and name n )   1.0 -44.0 30.0 2
  !!    V80
 assign (resid 79 and name c ) (resid 80 and name n )
        (resid 80 and name ca) (resid 80 and name c )   1.0 -65.0 30.0 2
  !!    V80
 assign (resid 80 and name n ) (resid 80 and name ca)
        (resid 80 and name c ) (resid 81 and name n )   1.0 -45.0 30.0 2
  !!    D81
 assign (resid 80 and name c ) (resid 81 and name n )
        (resid 81 and name ca) (resid 81 and name c )   1.0 -64.0 30.0 2
  !!    D81
 assign (resid 81 and name n ) (resid 81 and name ca)
        (resid 81 and name c ) (resid 82 and name n )   1.0 -41.0 30.0 2
  !!    Y82
 assign (resid 81 and name c ) (resid 82 and name n )
        (resid 82 and name ca) (resid 82 and name c )   1.0 -65.0 30.0 2
  !!    Y82
 assign (resid 82 and name n ) (resid 82 and name ca)
        (resid 82 and name c ) (resid 83 and name n )   1.0 -41.0 30.0 2
  !!    R83
 assign (resid 82 and name c ) (resid 83 and name n )
        (resid 83 and name ca) (resid 83 and name c )   1.0 -63.0 30.0 2
  !!    R83
 assign (resid 83 and name n ) (resid 83 and name ca)
        (resid 83 and name c ) (resid 84 and name n )   1.0 -42.0 30.0 2
  !!    T84
 assign (resid 83 and name c ) (resid 84 and name n )
        (resid 84 and name ca) (resid 84 and name c )   1.0 -64.0 30.0 2
  !!    T84
 assign (resid 84 and name n ) (resid 84 and name ca)
        (resid 84 and name c ) (resid 85 and name n )   1.0 -43.0 30.0 2
  !!    R85
 assign (resid 84 and name c ) (resid 85 and name n )
        (resid 85 and name ca) (resid 85 and name c )   1.0 -62.0 30.0 2
  !!    R85
 assign (resid 85 and name n ) (resid 85 and name ca)
        (resid 85 and name c ) (resid 86 and name n )   1.0 -39.0 30.0 2
  !! V86
 assign (resid 85 and name c ) (resid 86 and name n )
        (resid 86 and name ca) (resid 86 and name c )   1.0 -80.0 30.0 2
  !!    V86
 assign (resid 86 and name n ) (resid 86 and name ca)
        (resid 86 and name c ) (resid 87 and name n )   1.0 -41.0 30.0 2
  !!    L87
 assign (resid 86 and name c ) (resid 87 and name n )
        (resid 87 and name ca) (resid 87 and name c )   1.0 -64.0 30.0 2
  !!    L87
 assign (resid 87 and name n ) (resid 87 and name ca)
        (resid 87 and name c ) (resid 88 and name n )   1.0 -34.0 30.0 2
  !! K88
 assign (resid 87 and name c ) (resid 88 and name n )
        (resid 88 and name ca) (resid 88 and name c )   1.0 -80.0 30.0 2
  !! I89
 assign (resid 88 and name c ) (resid 89 and name n )
        (resid 89 and name ca) (resid 89 and name c )   1.0 -85.0 30.0 2
  !! S90
 assign (resid 89 and name c ) (resid 90 and name n )
        (resid 90 and name ca) (resid 90 and name c )   1.0 -90.0 30.0 2
  !! E91
 assign (resid 90 and name c ) (resid 91 and name n )
        (resid 91 and name ca) (resid 91 and name c )   1.0 -80.0 30.0 2
  !! E92
 assign (resid 91 and name c ) (resid 92 and name n )
        (resid 92 and name ca) (resid 92 and name c )   1.0 -80.0 30.0 2
  !!    E92
 assign (resid 92 and name n ) (resid 92 and name ca)
        (resid 92 and name c ) (resid 93 and name n )   1.0 140.0 40.0 2
  !! D93
 assign (resid 92 and name c ) (resid 93 and name n )
        (resid 93 and name ca) (resid 93 and name c )   1.0 -80.0 30.0 2
  !!    E94
 assign (resid 93 and name c ) (resid 94 and name n )
        (resid 94 and name ca) (resid 94 and name c )   1.0 -80.0 30.0 2
  !!    L95
 assign (resid 94 and name c ) (resid 95 and name n )
        (resid 95 and name ca) (resid 95 and name c )   1.0 -69.0 30.0 2
  !!    D96
 assign (resid 95 and name c ) (resid 96 and name n )
        (resid 96 and name ca) (resid 96 and name c )   1.0 -75.0 30.0 2
  !!    D96
 assign (resid 96 and name n ) (resid 96 and name ca)
        (resid 96 and name c ) (resid 97 and name n )   1.0 -25.0 40.0 2
  !!    T97
 assign (resid 96 and name c ) (resid 97 and name n )
        (resid 97 and name ca) (resid 97 and name c )   1.0 -80.0 30.0 2
  !!    T97
 assign (resid 97 and name n ) (resid 97 and name ca)
        (resid 97 and name c ) (resid 98 and name n )   1.0 133.0 40.0 2
  !! K98
 assign (resid 97 and name c ) (resid 98 and name n )
        (resid 98 and name ca) (resid 98 and name c )   1.0 -85.0 30.0 2
  !!    L99
 assign (resid 98 and name c ) (resid 99 and name n )
        (resid 99 and name ca) (resid 99 and name c )   1.0 -80.0 30.0 2
  !!    L99
 assign (resid 99 and name n ) (resid  99 and name ca)
        (resid 99 and name c ) (resid 100 and name n )   1.0 137.0 40.0 2
  !!    T100
 assign (resid  99 and name c ) (resid 100 and name n )
        (resid 100 and name ca) (resid 100 and name c ) 1.0 -85.0 30.0 2
  !! R101
 assign (resid 100 and name c ) (resid 101 and name n )
        (resid 101 and name ca) (resid 101 and name c ) 1.0 -85.0 30.0 2
  !!    R101
 assign (resid 101 and name n ) (resid 101 and name ca)
        (resid 101 and name c ) (resid 102 and name n )   1.0 118.0 40.0 2
  !! I102
 assign (resid 101 and name c ) (resid 102 and name n )
        (resid 102 and name ca) (resid 102 and name c ) 1.0 -112.0 40.0 2
  !! P103
 assign (resid 102 and name c ) (resid 103 and name n )
        (resid 103 and name ca) (resid 103 and name c ) 1.0 -62.0 40.0 2
  !! S104
 assign (resid 103 and name c ) (resid 104 and name n )
        (resid 104 and name ca) (resid 104 and name c ) 1.0 -81.0 30.0 2
  !!    S104
 assign (resid 104 and name n ) (resid 104 and name ca)
        (resid 104 and name c ) (resid 105 and name n )  1.0 -12.0 40.0 2
  !!    K106
 assign (resid 105 and name c ) (resid 106 and name n )
        (resid 106 and name ca) (resid 106 and name c ) 1.0 -80.0 30.0 2
  !!    K106
 assign (resid 106 and name n ) (resid 106 and name ca)
        (resid 106 and name c ) (resid 107 and name n )  1.0 139.0 30.0 2
  !!    K107
 assign (resid 106 and name c ) (resid 107 and name n )
        (resid 107 and name ca) (resid 107 and name c ) 1.0 -74.0 30.0 2
  !!    K107
 assign (resid 107 and name n ) (resid 107 and name ca)
        (resid 107 and name c ) (resid 108 and name n )  1.0 139.0 30.0 2
  !!    Y108
 assign (resid 107 and name c ) (resid 108 and name n )
        (resid 108 and name ca) (resid 108 and name c ) 1.0 -80.0 30.0 2
  !!    Y108
 assign (resid 108 and name n ) (resid 108 and name ca)
        (resid 108 and name c ) (resid 109 and name n )  1.0 133.0 30.0 2
  !!    K109
 assign (resid 108 and name c ) (resid 109 and name n )
        (resid 109 and name ca) (resid 109 and name c ) 1.0 -72.0 30.0 2
  !!    D110
 assign (resid 109 and name c ) (resid 110 and name n )
        (resid 110 and name ca) (resid 110 and name c ) 1.0 -80.0 30.0 2
  !!    I111
 assign (resid 110 and name c ) (resid 111 and name n )
        (resid 111 and name ca) (resid 111 and name c ) 1.0 -80.0 30.0 2
  !!    I111
 assign (resid 111 and name n ) (resid 111 and name ca)
        (resid 111 and name c ) (resid 112 and name n )  1.0 127.0 30.0 2
  !!    I112
 assign (resid 111 and name c ) (resid 112 and name n )
        (resid 112 and name ca) (resid 112 and name c ) 1.0 -93.0 40.0 2
  !!    I112
 assign (resid 112 and name n ) (resid 112 and name ca)
        (resid 112 and name c ) (resid 113 and name n )  1.0 124.0 30.0 2
  !!    R113
 assign (resid 112 and name c ) (resid 113 and name n )
        (resid 113 and name ca) (resid 113 and name c ) 1.0 -88.0 30.0 2
  !!    R113
 assign (resid 113 and name n ) (resid 113 and name ca)
        (resid 113 and name c ) (resid 114 and name n )   1.0 129.0 40.0 2
  !!    Q114
 assign (resid 113 and name c ) (resid 114 and name n )
        (resid 114 and name ca) (resid 114 and name c ) 1.0 -109.0 30.0 2
  !!    Q114
 assign (resid 114 and name n ) (resid 114 and name ca)
        (resid 114 and name c ) (resid 115 and name n )  1.0 122.0 30.0 2
  !!    P115
 assign (resid 114 and name c ) (resid 115 and name n )
        (resid 115 and name ca) (resid 115 and name c ) 1.0 -63.0 30.0 2
  !!    S116
 assign (resid 115 and name c ) (resid 116 and name n )
        (resid 116 and name ca) (resid 116 and name c ) 1.0 -82.0 30.0 2
  !!    E117
 assign (resid 116 and name c ) (resid 117 and name n )
        (resid 117 and name ca) (resid 117 and name c ) 1.0 -75.0 30.0 2
  !!    E118
 assign (resid 117 and name c ) (resid 118 and name n )
        (resid 118 and name ca) (resid 118 and name c ) 1.0 -70.0 30.0 2
  !!    E118
 assign (resid 118 and name n ) (resid 118 and name ca)
        (resid 118 and name c ) (resid 119 and name n )  1.0 -33.0 30.0 2
  !!    E119
 assign (resid 118 and name c ) (resid 119 and name n )
        (resid 119 and name ca) (resid 119 and name c ) 1.0 -80.0 30.0 2
  !!    E119
 assign (resid 119 and name n ) (resid 119 and name ca)
        (resid 119 and name c ) (resid 120 and name n )  1.0 -27.0 30.0 2
  !!    I120
 assign (resid 119 and name c ) (resid 120 and name n )
        (resid 120 and name ca) (resid 120 and name c ) 1.0 -87.0 30.0 2
  !!    I121
 assign (resid 120 and name c ) (resid 121 and name n )
        (resid 121 and name ca) (resid 121 and name c ) 1.0 -85.0 30.0 2
  !!    K122
 assign (resid 121 and name c ) (resid 122 and name n )
        (resid 122 and name ca) (resid 122 and name c ) 1.0 -80.0 30.0 2
  !!    L123
 assign (resid 122 and name c ) (resid 123 and name n )
        (resid 123 and name ca) (resid 123 and name c ) 1.0 -81.0 30.0 2
  !!    A124
 assign (resid 123 and name c ) (resid 124 and name n )
        (resid 124 and name ca) (resid 124 and name c ) 1.0 -99.0 30.0 2
  !!    A124
 assign (resid 124 and name n ) (resid 124 and name ca)
        (resid 124 and name c ) (resid 125 and name n )  1.0 121.0 40.0 2
  !!    P126
 assign (resid 125 and name c ) (resid 126 and name n )
        (resid 126 and name ca) (resid 126 and name c ) 1.0 -74.0 30.0 2
  !!    P126
 assign (resid 126 and name n ) (resid 126 and name ca)
        (resid 126 and name c ) (resid 127 and name n )  1.0 146.0 30.0 2
  !!    P127
 assign (resid 126 and name c ) (resid 127 and name n )
        (resid 127 and name ca) (resid 127 and name c ) 1.0 -70.0 30.0 2
  !!    K128
 assign (resid 127 and name c ) (resid 128 and name n )
        (resid 128 and name ca) (resid 128 and name c ) 1.0 -80.0 30.0 2
  !!    K128
 assign (resid 128 and name n ) (resid 128 and name ca)
        (resid 128 and name c ) (resid 129 and name n )  1.0 137.0 40.0 2
  !!    K129
 assign (resid 128 and name c ) (resid 129 and name n )
        (resid 129 and name ca) (resid 129 and name c ) 1.0 -70.0 30.0 2
  !!    K129
 assign (resid 129 and name n ) (resid 129 and name ca)
        (resid 129 and name c ) (resid 130 and name n )  1.0 121.0 30.0 2
  !!    A130
 assign (resid 129 and name c ) (resid 130 and name n )
        (resid 130 and name ca) (resid 130 and name c ) 1.0 -80.0 30.0 2



!chi1 dihedrals
  !!    E3
 assign (resid 3 and name n ) (resid 3 and name ca )
        (resid 3 and name cb) (resid 3 and name cg )     1.0 -60.0 30.0 2
  !!    Y4
 assign (resid 4 and name n ) (resid 4 and name ca )
        (resid 4 and name cb) (resid 4 and name cg )     1.0 180.0 30.0 2
  !!    T6
 assign (resid 6 and name n ) (resid 6 and name ca )
        (resid 6 and name cb) (resid 6 and name og1)     1.0 -60.0 30.0 2
  !!    L7
 assign (resid 7 and name n ) (resid 7 and name ca )
        (resid 7 and name cb) (resid 7 and name cg )     1.0 180.0 30.0 2
  !!    L8
 assign (resid 8 and name n ) (resid 8 and name ca )
        (resid 8 and name cb) (resid 8 and name cg )     1.0 -60.0 30.0 2
  !!    Q9
 assign (resid 9 and name n ) (resid 9 and name ca )
        (resid 9 and name cb) (resid 9 and name cg )     1.0 180.0 30.0 2
  !!    D10
 assign (resid 10 and name n ) (resid 10 and name ca )
        (resid 10 and name cb) (resid 10 and name cg )    1.0 -60.0 30.0 2
  !!    L11
 assign (resid 11 and name n ) (resid 11 and name ca )
        (resid 11 and name cb) (resid 11 and name cg )    1.0 60.0 30.0 2
  !!    T12
 assign (resid 12 and name n ) (resid 12 and name ca )
        (resid 12 and name cb) (resid 12 and name og1)    1.0 -60.0 30.0 2
  !!    N13
 assign (resid 13 and name n ) (resid 13 and name ca )
        (resid 13 and name cb) (resid 13 and name cg )    1.0 -60.0 30.0 2
  !!    N14
 assign (resid 14 and name n ) (resid 14 and name ca )
        (resid 14 and name cb) (resid 14 and name cg )    1.0 -60.0 30.0 2
  !!    I15
! assign (resid 15 and name n ) (resid 15 and name ca )
!        (resid 15 and name cb) (resid 15 and name cg1)    1.0 180.0 30.0 2
  !!    T16
 assign (resid 16 and name n ) (resid 16 and name ca )
        (resid 16 and name cb) (resid 16 and name og1)    1.0 60.0 30.0 2
  !!    L17
! assign (resid 17 and name n ) (resid 17 and name ca )
!        (resid 17 and name cb) (resid 17 and name cg )    1.0 -60.0 30.0 2
  !!    E18
 assign (resid 18 and name n ) (resid 18 and name ca )
        (resid 18 and name cb) (resid 18 and name cg )    1.0 -60.0 30.0 2
  !!    D19
 assign (resid 19 and name n ) (resid 19 and name ca )
        (resid 19 and name cb) (resid 19 and name cg )    1.0 -60.0 30.0 2
  !!    L20
! assign (resid 20 and name n ) (resid 20 and name ca )
!        (resid 20 and name cb) (resid 20 and name cg )    1.0 180.0 30.0 2
  !!    E21
 assign (resid 21 and name n ) (resid 21 and name ca )
        (resid 21 and name cb) (resid 21 and name cg )    1.0 -60.0 30.0 2
  !!    Q22
! assign (resid 22 and name n ) (resid 22 and name ca )
!        (resid 22 and name cb) (resid 22 and name cg )    1.0 -60.0 30.0 2 
  !!    L23
 assign (resid 23 and name n ) (resid 23 and name ca )
        (resid 23 and name cb) (resid 23 and name cg )    1.0 -60.0 30.0 2 
  !!    K24
 assign (resid 24 and name n ) (resid 24 and name ca )
        (resid 24 and name cb) (resid 24 and name cg )    1.0 -60.0 30.0 2 
  !!    S25
 assign (resid 25 and name n ) (resid 25 and name ca )
        (resid 25 and name cb) (resid 25 and name og )    1.0 -60.0 30.0 2
  !!    C27
 assign (resid 27 and name n ) (resid 27 and name ca )
        (resid 27 and name cb) (resid 27 and name sg )    1.0 -60.0 30.0 2
  !!    K28
! assign (resid 28 and name n ) (resid 28 and name ca )
!        (resid 28 and name cb) (resid 28 and name cg )    1.0 -60.0 30.0 2
  !!    E29
 assign (resid 29 and name n ) (resid 29 and name ca )
        (resid 29 and name cb) (resid 29 and name cg )    1.0 -60.0 30.0 2
  !!    D30
 assign (resid 30 and name n ) (resid 30 and name ca )
        (resid 30 and name cb) (resid 30 and name cg )    1.0 -60.0 30.0 2
  !!    I31
 assign (resid 31 and name n ) (resid 31 and name ca )
        (resid 31 and name cb) (resid 31 and name cg1)    1.0 180.0 30.0 2
  !!    S33
 assign (resid 33 and name n ) (resid 33 and name ca )
        (resid 33 and name cb) (resid 33 and name og )    1.0 180.0 30.0 2
  !!    E34
 assign (resid 34 and name n ) (resid 34 and name ca )
        (resid 34 and name cb) (resid 34 and name cg )    1.0 180.0 30.0 2
  !!    K35
 assign (resid 35 and name n ) (resid 35 and name ca )
        (resid 35 and name cb) (resid 35 and name cg )    1.0 -60.0 30.0 2
  !!    S36
 assign (resid 36 and name n ) (resid 36 and name ca )
        (resid 36 and name cb) (resid 36 and name og )    1.0 180.0 30.0 2
  !!    E37
 assign (resid 37 and name n ) (resid 37 and name ca )
        (resid 37 and name cb) (resid 37 and name cg )    1.0 -60.0 30.0 2
  !!    E38
 assign (resid 38 and name n ) (resid 38 and name ca )
        (resid 38 and name cb) (resid 38 and name cg )    1.0 60.0 30.0 2
  !!    I39
 assign (resid 39 and name n ) (resid 39 and name ca )
        (resid 39 and name cb) (resid 39 and name cg1)    1.0 -60.0 30.0 2
  !!    T40
 assign (resid 40 and name n ) (resid 40 and name ca )
        (resid 40 and name cb) (resid 40 and name cg2)    1.0 60.0 30.0 2
  !!    T41
 assign (resid 41 and name n ) (resid 41 and name ca )
        (resid 41 and name cb) (resid 41 and name cg2)    1.0 60.0 30.0 2
  !!    S43
 assign (resid 43 and name n ) (resid 43 and name ca )
        (resid 43 and name cb) (resid 43 and name og )    1.0 -60.0 30.0 2
  !!    W45
 assign (resid 45 and name n ) (resid 45 and name ca )
        (resid 45 and name cb) (resid 45 and name cg )    1.0 180.0 30.0 2
  !!    F46
 assign (resid 46 and name n ) (resid 46 and name ca )
        (resid 46 and name cb) (resid 46 and name cg )    1.0 -60.0 30.0 2
  !!    S47
 assign (resid 47 and name n ) (resid 47 and name ca )
        (resid 47 and name cb) (resid 47 and name og )    1.0 -60.0 30.0 2
  !!    F48
 assign (resid 48 and name n ) (resid 48 and name ca )
        (resid 48 and name cb) (resid 48 and name cg )    1.0 180.0 30.0 2
  !!    L49
! assign (resid 49 and name n ) (resid 49 and name ca )
!        (resid 49 and name cb) (resid 49 and name cg )    1.0 180.0 40.0 2
  !!    E50
 assign (resid 50 and name n ) (resid 50 and name ca )
        (resid 50 and name cb) (resid 50 and name cg )    1.0 -60.0 30.0 2
  !!    S51
 assign (resid 51 and name n ) (resid 51 and name ca )
        (resid 51 and name cb) (resid 51 and name og )    1.0 -60.0 30.0 2
  !!    H52
 assign (resid 52 and name n ) (resid 52 and name ca )
        (resid 52 and name cb) (resid 52 and name cg )    1.0 -60.0 30.0 2
  !!    N53
! assign (resid 53 and name n ) (resid 53 and name ca )
!        (resid 53 and name cb) (resid 53 and name cg )    1.0 -60.0 30.0 2
  !!    K54
 assign (resid 54 and name n ) (resid 54 and name ca )
        (resid 54 and name cb) (resid 54 and name cg )    1.0 -60.0 30.0 2
  !!    L55
 assign (resid 55 and name n ) (resid 55 and name ca )
        (resid 55 and name cb) (resid 55 and name cg )    1.0 180.0 30.0 2
  !!    D56
 assign (resid 56 and name n ) (resid 56 and name ca )
        (resid 56 and name cb) (resid 56 and name cg )    1.0 -60.0 30.0 2
  !!    K57
 assign (resid 57 and name n ) (resid 57 and name ca )
        (resid 57 and name cb) (resid 57 and name cg )    1.0 60.0 30.0 2
  !!    D58
! assign (resid 58 and name n ) (resid 58 and name ca )
!        (resid 58 and name cb) (resid 58 and name cg )    1.0 -60.0 30.0 2
  !!    N59
! assign (resid 59 and name n ) (resid 59 and name ca )
!        (resid 59 and name cb) (resid 59 and name cg )    1.0 180.0 30.0 2
  !!    L60
 assign (resid 60 and name n ) (resid 60 and name ca )
        (resid 60 and name cb) (resid 60 and name cg )    1.0 60.0 30.0 2
  !!    S61
! assign (resid 61 and name n ) (resid 61 and name ca )
!        (resid 61 and name cb) (resid 61 and name og )    1.0 -60.0 30.0 2
  !!    Y62
 assign (resid 62 and name n ) (resid 62 and name ca )
        (resid 62 and name cb) (resid 62 and name cg )    1.0 180.0 30.0 2
  !!    I63
 assign (resid 63 and name n ) (resid 63 and name ca )
        (resid 63 and name cb) (resid 63 and name cg1)    1.0 60.0 30.0 2
  !!    E64
! assign (resid 64 and name n ) (resid 64 and name ca )
!        (resid 64 and name cb) (resid 64 and name cg )    1.0 -60.0 30.0 2
  !!    H65
 assign (resid 65 and name n ) (resid 65 and name ca )
        (resid 65 and name cb) (resid 65 and name cg )    1.0 180.0 30.0 2
  !!    I66
 assign (resid 66 and name n ) (resid 66 and name ca )
        (resid 66 and name cb) (resid 66 and name cg1)    1.0 -60.0 30.0 2
  !!    F67
 assign (resid 67 and name n ) (resid 67 and name ca )
        (resid 67 and name cb) (resid 67 and name cg )    1.0 -60.0 30.0 2
  !!    E68
 assign (resid 68 and name n ) (resid 68 and name ca )
        (resid 68 and name cb) (resid 68 and name cg )    1.0 180.0 30.0 2
  !!    I69
 assign (resid 69 and name n ) (resid 69 and name ca )
        (resid 69 and name cb) (resid 69 and name cg1)    1.0 60.0 30.0 2
  !!    S70
! assign (resid 70 and name n ) (resid 70 and name ca )
!        (resid 70 and name cb) (resid 70 and name og )    1.0 -60.0 30.0 2
  !!    R71
 assign (resid 71 and name n ) (resid 71 and name ca )
        (resid 71 and name cb) (resid 71 and name cg )    1.0 -60.0 30.0 2
  !!    R72
! assign (resid 72 and name n ) (resid 72 and name ca )
!        (resid 72 and name cb) (resid 72 and name cg )    1.0 -60.0 30.0 2
  !!    D74
 assign (resid 74 and name n ) (resid 74 and name ca )
        (resid 74 and name cb) (resid 74 and name cg )    1.0 -60.0 30.0 2
  !!    L75
 assign (resid 75 and name n ) (resid 75 and name ca )
        (resid 75 and name cb) (resid 75 and name cg )    1.0 -60.0 30.0 2
  !!    L76
 assign (resid 76 and name n ) (resid 76 and name ca )
        (resid 76 and name cb) (resid 76 and name cg )    1.0 180.0 30.0 2
  !!    T77
 assign (resid 77 and name n ) (resid 77 and name ca )
        (resid 77 and name cb) (resid 77 and name og1)    1.0 -60.0 30.0 2
  !!    M78
 assign (resid 78 and name n ) (resid 78 and name ca )
        (resid 78 and name cb) (resid 78 and name cg )    1.0 -60.0 30.0 2
  !!    V79
 assign (resid 79 and name n ) (resid 79 and name ca )
        (resid 79 and name cb) (resid 79 and name cg1)    1.0 180.0 30.0 2
  !!    V80
 assign (resid 80 and name n ) (resid 80 and name ca )
        (resid 80 and name cb) (resid 80 and name cg1)    1.0 180.0 30.0 2
  !!    D81
! assign (resid 81 and name n ) (resid 81 and name ca )
!        (resid 81 and name cb) (resid 81 and name cg )    1.0 -60.0 30.0 2
  !!    Y82
 assign (resid 82 and name n ) (resid 82 and name ca )
        (resid 82 and name cb) (resid 82 and name cg )    1.0 180.0 30.0 2
  !!    R83
 assign (resid 83 and name n ) (resid 83 and name ca )
        (resid 83 and name cb) (resid 83 and name cg )    1.0 180.0 30.0 2
  !!    T84
 assign (resid 84 and name n ) (resid 84 and name ca )
        (resid 84 and name cb) (resid 84 and name og1)    1.0 -60.0 30.0 2
  !!    R85
 assign (resid 85 and name n ) (resid 85 and name ca )
        (resid 85 and name cb) (resid 85 and name cg )    1.0 60.0 30.0 2
  !!    V86
 assign (resid 86 and name n ) (resid 86 and name ca )
        (resid 86 and name cb) (resid 86 and name cg1)    1.0 180.0 30.0 2
  !!    L87
! assign (resid 87 and name n ) (resid 87 and name ca )
!        (resid 87 and name cb) (resid 87 and name cg )    1.0 -60.0 30.0 2
  !!    K88
! assign (resid 88 and name n ) (resid 88 and name ca )
!        (resid 88 and name cb) (resid 88 and name cg )    1.0 -60.0 30.0 2
  !!    I89
 assign (resid 89 and name n ) (resid 89 and name ca )
        (resid 89 and name cb) (resid 89 and name cg1)    1.0 -60.0 30.0 2
  !!    S90
 assign (resid 90 and name n ) (resid 90 and name ca )
        (resid 90 and name cb) (resid 90 and name og )    1.0 -60.0 30.0 2
{  !!    E91
 assign (resid 91 and name n ) (resid 91 and name ca )
        (resid 91 and name cb) (resid 91 and name cg )    1.0 -60.0 30.0 2
  !!    E92
 assign (resid 92 and name n ) (resid 92 and name ca )
        (resid 92 and name cb) (resid 92 and name cg )    1.0 -60.0 30.0 2
  !!    D93
 assign (resid 93 and name n ) (resid 93 and name ca )
        (resid 93 and name cb) (resid 93 and name cg )    1.0 -60.0 30.0 2
  !!    E94
 assign (resid 94 and name n ) (resid 94 and name ca )
        (resid 94 and name cb) (resid 94 and name cg )    1.0 -60.0 30.0 2
  !!    L95
! assign (resid 95 and name n ) (resid 95 and name ca )
!        (resid 95 and name cb) (resid 95 and name cg )    1.0 -60.0 30.0 2
  !!    D96
! assign (resid 96 and name n ) (resid 96 and name ca )
!        (resid 96 and name cb) (resid 96 and name cg )    1.0 -60.0 30.0 2
  !!    T97
 assign (resid 97 and name n ) (resid 97 and name ca )
        (resid 97 and name cb) (resid 97 and name og1)    1.0 60.0 30.0 2
  !!    K98
 assign (resid 98 and name n ) (resid 98 and name ca )
        (resid 98 and name cb) (resid 98 and name cg )    1.0 -60.0 30.0 2
  !!    L99
 assign (resid 99 and name n ) (resid 99 and name ca )
        (resid 99 and name cb) (resid 99 and name cg )    1.0 -60.0 30.0 2
  !!    T100
! assign (resid 100 and name n ) (resid 100 and name ca )
!        (resid 100 and name cb) (resid 100 and name og1)  1.0 -60.0 30.0 2
  !!    R101
 assign (resid 101 and name n ) (resid 101 and name ca )
        (resid 101 and name cb) (resid 101 and name cg )  1.0 -60.0 30.0 2
  !!    I102
 assign (resid 102 and name n ) (resid 102 and name ca )
        (resid 102 and name cb) (resid 102 and name cg1)  1.0 -60.0 30.0 2
  !!    S104
! assign (resid 104 and name n ) (resid 104 and name ca )
!        (resid 104 and name cb) (resid 104 and name og )  1.0 -60.0 30.0 2
  !!    K106
 assign (resid 106 and name n ) (resid 106 and name ca )
        (resid 106 and name cb) (resid 106 and name cg )  1.0 -60.0 30.0 2
  !!    K107
 assign (resid 107 and name n ) (resid 107 and name ca )
        (resid 107 and name cb) (resid 107 and name cg )  1.0 -60.0 30.0 2
  !!    Y108
 assign (resid 108 and name n ) (resid 108 and name ca )
        (resid 108 and name cb) (resid 108 and name cg )  1.0 60.0 30.0 2
  !!    K109
! assign (resid 109 and name n ) (resid 109 and name ca )
!        (resid 109 and name cb) (resid 109 and name cg )  1.0 -60.0 30.0 2 
  !!    D110
 assign (resid 110 and name n ) (resid 110 and name ca )
        (resid 110 and name cb) (resid 110 and name cg )  1.0 -60.0 30.0 2 
  !!    I111
! assign (resid 111 and name n ) (resid 111 and name ca )
!        (resid 111 and name cb) (resid 111 and name cg1)  1.0 60.0 30.0 2
  !!    I112
 assign (resid 112 and name n ) (resid 112 and name ca )
        (resid 112 and name cb) (resid 112 and name cg1)  1.0 -60.0 30.0 2
  !!    R113
! assign (resid 113 and name n ) (resid 113 and name ca )
!        (resid 113 and name cb) (resid 113 and name cg )  1.0 -60.0 30.0 2 
  !!    Q114
 assign (resid 114 and name n ) (resid 114 and name ca )
        (resid 114 and name cb) (resid 114 and name cg )  1.0 -60.0 30.0 2
  !!    S116
 assign (resid 116 and name n ) (resid 116 and name ca )
        (resid 116 and name cb) (resid 116 and name og )  1.0 -60.0 30.0 2
  !!    E117
! assign (resid 117 and name n ) (resid 117 and name ca )
!        (resid 117 and name cb) (resid 117 and name cg )  1.0 -60.0 30.0 2 
  !!    E118
 assign (resid 118 and name n ) (resid 118 and name ca )
        (resid 118 and name cb) (resid 118 and name cg )  1.0 -60.0 30.0 2
  !!    E119
! assign (resid 119 and name n ) (resid 119 and name ca )
!        (resid 119 and name cb) (resid 119 and name cg )  1.0 -60.0 30.0 2
  !!    I120
 assign (resid 120 and name n ) (resid 120 and name ca )
        (resid 120 and name cb) (resid 120 and name cg1)  1.0 60.0 30.0 2
  !!    I121
! assign (resid 121 and name n ) (resid 121 and name ca )
!        (resid 121 and name cb) (resid 121 and name cg1)  1.0 60.0 30.0 2
  !!    K122
! assign (resid 122 and name n ) (resid 122 and name ca )
!        (resid 122 and name cb) (resid 122 and name cg )  1.0 -60.0 30.0 2
  !!    K123
! assign (resid 128 and name n ) (resid 128 and name ca )
!        (resid 128 and name cb) (resid 128 and name cg )  1.0 -60.0 30.0 2
  !!    K128
! assign (resid 128 and name n ) (resid 128 and name ca )
!        (resid 128 and name cb) (resid 128 and name cg )  1.0 -60.0 30.0 2
  !!    K129
! assign (resid 129 and name n ) (resid 129 and name ca )
!        (resid 129 and name cb) (resid 129 and name cg )  1.0 -60.0 30.0 2

! chi2 restraints
  !!    L7
 assign (resid   7 and name ca) (resid   7 and name cb )
        (resid   7 and name cg) (resid   7 and name cd1)  1.0 60.0 30.0 2
  !!    L8
 assign (resid   8 and name ca) (resid   8 and name cb )
        (resid   8 and name cg) (resid   8 and name cd1)  1.0 60.0 30.0 2
  !!    L23
 assign (resid  23 and name ca) (resid  23 and name cb )
        (resid  23 and name cg) (resid  23 and name cd1)  1.0 180.0 30.0 2
  !!    I31
 assign (resid  31 and name ca ) (resid  31 and name cb )
        (resid  31 and name cg1) (resid  31 and name cd1)  1.0 -60.0 30.0 2
  !!    I39
 assign (resid  39 and name ca ) (resid  39 and name cb )
        (resid  39 and name cg1) (resid  39 and name cd1)  1.0 180.0 30.0 2
  !!    L49
 assign (resid  49 and name ca) (resid  49 and name cb )
        (resid  49 and name cg) (resid  49 and name cd1)  1.0 60.0 30.0 2
  !!    L75
 assign (resid  75 and name ca) (resid  75 and name cb )
        (resid  75 and name cg) (resid  75 and name cd1)  1.0 60.0 30.0 2
  !!    I102
 assign (resid 102 and name ca ) (resid 102 and name cb )
        (resid 102 and name cg1) (resid 102 and name cd1)  1.0 60.0 30.0 2
}!PEA-15 hbonds

!helix 1
assign (resid   1 and  name O    )(resid    5 and  name N    ) 2.8 0.4 0.7
assign (resid   1 and  name O    )(resid    5 and  name HN   ) 1.8 0.3 0.7
assign (resid   2 and  name O    )(resid    6 and  name N    ) 2.8 0.4 0.7
assign (resid   2 and  name O    )(resid    6 and  name HN   ) 1.8 0.3 0.7
assign (resid   3 and  name O    )(resid    7 and  name N    ) 2.8 0.4 0.7
assign (resid   3 and  name O    )(resid    7 and  name HN   ) 1.8 0.3 0.7
assign (resid   4 and  name O    )(resid    8 and  name N    ) 2.8 0.4 0.7
assign (resid   4 and  name O    )(resid    8 and  name HN   ) 1.8 0.3 0.7
assign (resid   5 and  name O    )(resid    9 and  name N    ) 2.8 0.4 0.7
assign (resid   5 and  name O    )(resid    9 and  name HN   ) 1.8 0.3 0.7
assign (resid   6 and  name O    )(resid   10 and  name N    ) 2.8 0.4 0.7
assign (resid   6 and  name O    )(resid   10 and  name HN   ) 1.8 0.3 0.7
assign (resid   7 and  name O    )(resid   11 and  name N    ) 2.8 0.4 0.7
assign (resid   7 and  name O    )(resid   11 and  name HN   ) 1.8 0.3 0.7
assign (resid   8 and  name O    )(resid   12 and  name N    ) 2.8 0.4 0.7
assign (resid   8 and  name O    )(resid   12 and  name HN   ) 1.8 0.3 0.7
assign (resid   9 and  name O    )(resid   13 and  name N    ) 2.8 0.4 0.7
assign (resid   9 and  name O    )(resid   13 and  name HN   ) 1.8 0.3 0.7

!helix 2
assign (resid  17 and  name O    )(resid   21 and  name N    ) 2.8 0.4 0.7
assign (resid  17 and  name O    )(resid   21 and  name HN   ) 1.8 0.3 0.7
assign (resid  18 and  name O    )(resid   22 and  name N    ) 2.8 0.4 0.7
assign (resid  18 and  name O    )(resid   22 and  name HN   ) 1.8 0.3 0.7
assign (resid  19 and  name O    )(resid   23 and  name N    ) 2.8 0.4 0.7
assign (resid  19 and  name O    )(resid   23 and  name HN   ) 1.8 0.3 0.7
assign (resid  20 and  name O    )(resid   24 and  name N    ) 2.8 0.4 0.7
assign (resid  20 and  name O    )(resid   24 and  name HN   ) 1.8 0.3 0.7
assign (resid  21 and  name O    )(resid   25 and  name N    ) 2.8 0.4 0.7
assign (resid  21 and  name O    )(resid   25 and  name HN   ) 1.8 0.3 0.7
assign (resid  22 and  name O    )(resid   26 and  name N    ) 2.8 0.4 0.7
assign (resid  22 and  name O    )(resid   26 and  name HN   ) 1.8 0.3 0.7
assign (resid  23 and  name O    )(resid   27 and  name N    ) 2.8 0.4 0.7
assign (resid  23 and  name O    )(resid   27 and  name HN   ) 1.8 0.3 0.7
assign (resid  24 and  name O    )(resid   28 and  name N    ) 2.8 0.4 0.7
assign (resid  24 and  name O    )(resid   28 and  name HN   ) 1.8 0.3 0.7
!assign (resid  25 and  name O    )(resid   29 and  name N    ) 2.8 0.4 0.7
!assign (resid  25 and  name O    )(resid   29 and  name HN   ) 1.8 0.3 0.7
!assign (resid  26 and  name O    )(resid   30 and  name N    ) 2.8 0.4 0.7
!assign (resid  26 and  name O    )(resid   30 and  name HN   ) 1.8 0.3 0.7

!helix 3
assign (resid  33 and  name O    )(resid   37 and  name N    ) 2.8 0.4 0.7
assign (resid  33 and  name O    )(resid   37 and  name HN   ) 1.8 0.3 0.7

!helix 4
assign (resid  42 and  name O    )(resid   46 and  name N    ) 2.8 0.4 0.7
assign (resid  42 and  name O    )(resid   46 and  name HN   ) 1.8 0.3 0.7
assign (resid  43 and  name O    )(resid   47 and  name N    ) 2.8 0.4 0.7
assign (resid  43 and  name O    )(resid   47 and  name HN   ) 1.8 0.3 0.7
assign (resid  44 and  name O    )(resid   48 and  name N    ) 2.8 0.4 0.7
assign (resid  44 and  name O    )(resid   48 and  name HN   ) 1.8 0.3 0.7
assign (resid  45 and  name O    )(resid   49 and  name N    ) 2.8 0.4 0.7
assign (resid  45 and  name O    )(resid   49 and  name HN   ) 1.8 0.3 0.7
assign (resid  46 and  name O    )(resid   50 and  name N    ) 2.8 0.4 0.7
assign (resid  46 and  name O    )(resid   50 and  name HN   ) 1.8 0.3 0.7
assign (resid  47 and  name O    )(resid   51 and  name N    ) 2.8 0.4 0.7
assign (resid  47 and  name O    )(resid   51 and  name HN   ) 1.8 0.3 0.7
assign (resid  48 and  name O    )(resid   52 and  name N    ) 2.8 0.4 0.7
assign (resid  48 and  name O    )(resid   52 and  name HN   ) 1.8 0.3 0.7
!assign (resid  49 and  name O    )(resid   53 and  name N    ) 2.8 0.4 0.7
!assign (resid  49 and  name O    )(resid   53 and  name HN   ) 1.8 0.3 0.7

!helix 5
assign (resid  61 and  name O    )(resid   65 and  name N    ) 2.8 0.4 0.7
assign (resid  61 and  name O    )(resid   65 and  name HN   ) 1.8 0.3 0.7
assign (resid  62 and  name O    )(resid   66 and  name N    ) 2.8 0.4 0.7
assign (resid  62 and  name O    )(resid   66 and  name HN   ) 1.8 0.3 0.7
assign (resid  63 and  name O    )(resid   67 and  name N    ) 2.8 0.4 0.7
assign (resid  63 and  name O    )(resid   67 and  name HN   ) 1.8 0.3 0.7
assign (resid  64 and  name O    )(resid   68 and  name N    ) 2.8 0.4 0.7
assign (resid  64 and  name O    )(resid   68 and  name HN   ) 1.8 0.3 0.7
assign (resid  65 and  name O    )(resid   69 and  name N    ) 2.8 0.4 0.7
assign (resid  65 and  name O    )(resid   69 and  name HN   ) 1.8 0.3 0.7

!helix 6
assign (resid  73 and  name O    )(resid   77 and  name N    ) 2.8 0.4 0.7
assign (resid  73 and  name O    )(resid   77 and  name HN   ) 1.8 0.3 0.7
assign (resid  74 and  name O    )(resid   78 and  name N    ) 2.8 0.4 0.7
assign (resid  74 and  name O    )(resid   78 and  name HN   ) 1.8 0.3 0.7
assign (resid  75 and  name O    )(resid   79 and  name N    ) 2.8 0.4 0.7
assign (resid  75 and  name O    )(resid   79 and  name HN   ) 1.8 0.3 0.7
assign (resid  76 and  name O    )(resid   80 and  name N    ) 2.8 0.4 0.7
assign (resid  76 and  name O    )(resid   80 and  name HN   ) 1.8 0.3 0.7
assign (resid  77 and  name O    )(resid   81 and  name N    ) 2.8 0.4 0.7
assign (resid  77 and  name O    )(resid   81 and  name HN   ) 1.8 0.3 0.7
assign (resid  78 and  name O    )(resid   82 and  name N    ) 2.8 0.4 0.7
assign (resid  78 and  name O    )(resid   82 and  name HN   ) 1.8 0.3 0.7
assign (resid  79 and  name O    )(resid   83 and  name N    ) 2.8 0.4 0.7
assign (resid  79 and  name O    )(resid   83 and  name HN   ) 1.8 0.3 0.7
assign (resid  80 and  name O    )(resid   84 and  name N    ) 2.8 0.4 0.7
assign (resid  80 and  name O    )(resid   84 and  name HN   ) 1.8 0.3 0.7
assign (resid  81 and  name O    )(resid   85 and  name N    ) 2.8 0.4 0.7
assign (resid  81 and  name O    )(resid   85 and  name HN   ) 1.8 0.3 0.7
assign (resid  82 and  name O    )(resid   86 and  name N    ) 2.8 0.4 0.7
assign (resid  82 and  name O    )(resid   86 and  name HN   ) 1.8 0.3 0.7
assign (resid  83 and  name O    )(resid   87 and  name N    ) 2.8 0.4 0.7
assign (resid  83 and  name O    )(resid   87 and  name HN   ) 1.8 0.3 0.7
assign (resid  84 and  name O    )(resid   88 and  name N    ) 2.8 0.4 0.7
assign (resid  84 and  name O    )(resid   88 and  name HN   ) 1.8 0.3 0.7
assign (resid  85 and  name O    )(resid   89 and  name N    ) 2.8 0.4 0.7
assign (resid  85 and  name O    )(resid   89 and  name HN   ) 1.8 0.3 0.7

!remark phi angle coupling constants for PEA-15
!could not be measured for 12,24,33,49,57,68,93,94,99,104,105,107,108,109,110

  !!    A2
 assign (resid 1 and name c ) (resid 2 and name n )
        (resid 2 and name ca) (resid 2 and name c )     5.8 0.5
  !!    E3
 assign (resid 2 and name c ) (resid 3 and name n )
        (resid 3 and name ca) (resid 3 and name c )     4.4 0.5
  !!    Y4
 assign (resid 3 and name c ) (resid 4 and name n )
        (resid 4 and name ca) (resid 4 and name c )     3.6 0.5 
  !!    G5
 assign (resid 4 and name c ) (resid 5 and name n )
        (resid 5 and name ca) (resid 5 and name c )     3.7 0.5
  !!    T6
 assign (resid 5 and name c ) (resid 6 and name n )
        (resid 6 and name ca) (resid 6 and name c )     5.5 0.5
  !!    L7
 assign (resid 6 and name c ) (resid 7 and name n )
        (resid 7 and name ca) (resid 7 and name c )     3.6 0.5
  !!    L8
 assign (resid 7 and name c ) (resid 8 and name n )
        (resid 8 and name ca) (resid 8 and name c )     3.7 0.5
  !!    Q9
 assign (resid 8 and name c ) (resid 9 and name n )
        (resid 9 and name ca) (resid 9 and name c )     5.5 0.5
  !!    D10
 assign (resid  9 and name c ) (resid 10 and name n )
        (resid 10 and name ca) (resid 10 and name c )     4.0 0.5
  !!    L11
 assign (resid 10 and name c ) (resid 11 and name n )
        (resid 11 and name ca) (resid 11 and name c )     4.0 0.5
  !!    N13
 assign (resid 12 and name c ) (resid 13 and name n )
        (resid 13 and name ca) (resid 13 and name c )     4.7 0.5
  !!    N14
 assign (resid 13 and name c ) (resid 14 and name n )
        (resid 14 and name ca) (resid 14 and name c )     9.6 0.5
  !!    I15
 assign (resid 14 and name c ) (resid 15 and name n ) 
        (resid 15 and name ca) (resid 15 and name c )     7.3 0.5 
  !!    T16
 assign (resid 15 and name c ) (resid 16 and name n )
        (resid 16 and name ca) (resid 16 and name c )     7.5 0.5
  !! L17
 assign (resid 16 and name c ) (resid 17 and name n )
        (resid 17 and name ca) (resid 17 and name c )     3.3 0.5
  !! E18
 assign (resid 17 and name c ) (resid 18 and name n )
        (resid 18 and name ca) (resid 18 and name c )     5.3 0.5 
  !!    D19
 assign (resid 18 and name c ) (resid 19 and name n ) 
        (resid 19 and name ca) (resid 19 and name c )     3.6 0.5 
  !!    L20
 assign (resid 19 and name c ) (resid 20 and name n ) 
        (resid 20 and name ca) (resid 20 and name c )     3.5 0.5 
  !!    E21
 assign (resid 20 and name c ) (resid 21 and name n )
        (resid 21 and name ca) (resid 21 and name c )     4.1 0.5
  !!    Q22
 assign (resid 21 and name c ) (resid 22 and name n ) 
        (resid 22 and name ca) (resid 22 and name c )     6.4 0.5 
  !!    L23
 assign (resid 22 and name c ) (resid 23 and name n )
        (resid 23 and name ca) (resid 23 and name c )     4.2 0.5
  !!    S25
 assign (resid 24 and name c ) (resid 25 and name n )
        (resid 25 and name ca) (resid 25 and name c )     4.4 0.5
  !!    A26
 assign (resid 25 and name c ) (resid 26 and name n )
        (resid 26 and name ca) (resid 26 and name c )     4.8 0.5
  !!    C27
 assign (resid 26 and name c ) (resid 27 and name n )
        (resid 27 and name ca) (resid 27 and name c )     6.8 0.5
  !!    K28
 assign (resid 27 and name c ) (resid 28 and name n )
        (resid 28 and name ca) (resid 28 and name c )     4.6 0.5
  !!    E29
 assign (resid 28 and name c ) (resid 29 and name n )
        (resid 29 and name ca) (resid 29 and name c )     5.6 0.5
  !!    D30
 assign (resid 29 and name c ) (resid 30 and name n )
        (resid 30 and name ca) (resid 30 and name c )     7.7 0.5
  !!    I31
 assign (resid 30 and name c ) (resid 31 and name n )
        (resid 31 and name ca) (resid 31 and name c )     9.3 0.5
  !!    E34
 assign (resid 33 and name c ) (resid 34 and name n )
        (resid 34 and name ca) (resid 34 and name c )     4.7 0.5
  !!    K35
 assign (resid 34 and name c ) (resid 35 and name n )
        (resid 35 and name ca) (resid 35 and name c )     9.4 0.5 
  !!    S36
 assign (resid 35 and name c ) (resid 36 and name n )
        (resid 36 and name ca) (resid 36 and name c )     3.4 0.5
  !!    E37
 assign (resid 36 and name c ) (resid 37 and name n )
        (resid 37 and name ca) (resid 37 and name c )     4.4 0.5
  !!    E38
 assign (resid 37 and name c ) (resid 38 and name n )
        (resid 38 and name ca) (resid 38 and name c )     7.7 0.5
  !!    I39
 assign (resid 38 and name c ) (resid 39 and name n )
        (resid 39 and name ca) (resid 39 and name c )     7.6 0.5
  !!    T40
 assign (resid 39 and name c ) (resid 40 and name n )
        (resid 40 and name ca) (resid 40 and name c )     7.8 0.5
  !!    T41
 assign (resid 40 and name c ) (resid 41 and name n )
        (resid 41 and name ca) (resid 41 and name c )     8.2 0.5
  !!    G42
 assign (resid 41 and name c ) (resid 42 and name n ) 
        (resid 42 and name ca) (resid 42 and name c )     5.3 0.5 
  !! S43
 assign (resid 42  and name c ) (resid 43  and name n )
        (resid 43  and name ca) (resid 43  and name c )   3.1 0.5
  !!    A44
 assign (resid 43 and name c ) (resid 44 and name n ) 
        (resid 44 and name ca) (resid 44 and name c )     4.2 0.5 
  !!    W45
 assign (resid 44 and name c ) (resid 45 and name n ) 
        (resid 45 and name ca) (resid 45 and name c )     7.3 0.5 
  !!    F46
 assign (resid 45 and name c ) (resid 46 and name n )
        (resid 46 and name ca) (resid 46 and name c )     3.7 0.5
  !!    S47
 assign (resid 46 and name c ) (resid 47 and name n )
        (resid 47 and name ca) (resid 47 and name c )     4.3 0.5
  !!    F48
 assign (resid 47 and name c ) (resid 48 and name n )
        (resid 48 and name ca) (resid 48 and name c )     4.6 0.5
  !!    E50
 assign (resid 49 and name c ) (resid 50 and name n ) 
        (resid 50 and name ca) (resid 50 and name c )     3.9 0.5
  !!    S51
 assign (resid 50 and name c ) (resid 51 and name n )
        (resid 51 and name ca) (resid 51 and name c )     4.5 0.5
  !!    H52
 assign (resid 51 and name c ) (resid 52 and name n )
        (resid 52 and name ca) (resid 52 and name c )    10.5 0.5
  !!    N53
 assign (resid 52 and name c ) (resid 53 and name n )
        (resid 53 and name ca) (resid 53 and name c )     8.0 0.5
  !!    K54
 assign (resid 53 and name c ) (resid 54 and name n )
        (resid 54 and name ca) (resid 54 and name c )     9.9 0.5
  !! L55
 assign (resid 54 and name c ) (resid 55 and name n )
        (resid 55 and name ca) (resid 55 and name c )     5.8 0.5
  !!    D56
 assign (resid 55 and name c ) (resid 56 and name n ) 
        (resid 56 and name ca) (resid 56 and name c )     4.1 0.5 
  !!    D58
 assign (resid 57 and name c ) (resid 58 and name n ) 
        (resid 58 and name ca) (resid 58 and name c )    10.0 0.5 
  !!    N59
 assign (resid 58 and name c ) (resid 59 and name n )
        (resid 59 and name ca) (resid 59 and name c )     8.0 0.5 
  !!    L60
 assign (resid 59 and name c ) (resid 60 and name n )
        (resid 60 and name ca) (resid 60 and name c )    10.0 0.5
  !!    S61
 assign (resid 60 and name c ) (resid 61 and name n ) 
        (resid 61 and name ca) (resid 61 and name c )     3.4 0.5 
  !!    Y62
 assign (resid 61 and name c ) (resid 62 and name n )
        (resid 62 and name ca) (resid 62 and name c )     5.5 0.5
  !!    I63
 assign (resid 62 and name c ) (resid 63 and name n )
        (resid 63 and name ca) (resid 63 and name c )     6.4 0.5
  !!    E64
 assign (resid 63 and name c ) (resid 64 and name n )
        (resid 64 and name ca) (resid 64 and name c )     3.4 0.5
  !!    H65
 assign (resid 64 and name c ) (resid 65 and name n )
        (resid 65 and name ca) (resid 65 and name c )     4.4 0.5
  !!    I66
 assign (resid 65 and name c ) (resid 66 and name n )
        (resid 66 and name ca) (resid 66 and name c )     4.4 0.5
  !!    F67
 assign (resid 66 and name c ) (resid 67 and name n )
        (resid 67 and name ca) (resid 67 and name c )     3.5 0.5 
  !!    I69
 assign (resid 68 and name c ) (resid 69 and name n ) 
        (resid 69 and name ca) (resid 69 and name c )     5.5 0.5 
  !!    S70
 assign (resid 69 and name c ) (resid 70 and name n )
        (resid 70 and name ca) (resid 70 and name c )     8.0 0.5
  !!    R71
 assign (resid 70  and name c ) (resid 71  and name n )
        (resid 71  and name ca) (resid 71  and name c )   7.0 0.5
  !!    R72
 assign (resid 71 and name c ) (resid 72 and name n )
        (resid 72 and name ca) (resid 72 and name c )     8.3 0.5
  !!    D74
 assign (resid 73 and name c ) (resid 74 and name n )
        (resid 74 and name ca) (resid 74 and name c )     6.1 0.5
  !!    L75
 assign (resid 74 and name c ) (resid 75 and name n )
        (resid 75 and name ca) (resid 75 and name c )     5.8 0.5
  !!    L76
 assign (resid 75 and name c ) (resid 76 and name n )
        (resid 76 and name ca) (resid 76 and name c )     2.6 0.5
  !!    T77
 assign (resid 76 and name c ) (resid 77 and name n )
        (resid 77 and name ca) (resid 77 and name c )     3.3 0.5
  !!    M78
 assign (resid 77 and name c ) (resid 78 and name n )
        (resid 78 and name ca) (resid 78 and name c )     4.8 0.5
  !! V79
 assign (resid 78 and name c ) (resid 79 and name n ) 
        (resid 79 and name ca) (resid 79 and name c )     6.1 0.5 
  !!    V80
 assign (resid 79 and name c ) (resid 80 and name n )
        (resid 80 and name ca) (resid 80 and name c )     4.3 0.5 
  !!    D81
 assign (resid 80 and name c ) (resid 81 and name n )
        (resid 81 and name ca) (resid 81 and name c )     4.1 0.5
  !!    Y82
 assign (resid 81 and name c ) (resid 82 and name n )
        (resid 82 and name ca) (resid 82 and name c )     4.5 0.5
  !!    R83
 assign (resid 82 and name c ) (resid 83 and name n )
        (resid 83 and name ca) (resid 83 and name c )     3.8 0.5
  !!    T84
 assign (resid 83 and name c ) (resid 84 and name n )
        (resid 84 and name ca) (resid 84 and name c )     5.9 0.5
  !!    R85
 assign (resid 84 and name c ) (resid 85 and name n )
        (resid 85 and name ca) (resid 85 and name c )     5.4 0.5
  !! V86
 assign (resid 85 and name c ) (resid 86 and name n )
        (resid 86 and name ca) (resid 86 and name c )     7.1 0.5
  !!    L87
 assign (resid 86 and name c ) (resid 87 and name n )
        (resid 87 and name ca) (resid 87 and name c )     5.7 0.5
  !! K88
 assign (resid 87 and name c ) (resid 88 and name n )
        (resid 88 and name ca) (resid 88 and name c )     7.0 0.5
  !! I89
 assign (resid 88 and name c ) (resid 89 and name n )
        (resid 89 and name ca) (resid 89 and name c )     7.8 0.5
  !! S90
 assign (resid 89 and name c ) (resid 90 and name n )
        (resid 90 and name ca) (resid 90 and name c )     7.9 0.5
{  !! E91
 assign (resid 90 and name c ) (resid 91 and name n )
        (resid 91 and name ca) (resid 91 and name c )     6.5 0.5
  !! E92
 assign (resid 91 and name c ) (resid 92 and name n )
        (resid 92 and name ca) (resid 92 and name c )     7.0 0.5
  !!    L95
 assign (resid 94 and name c ) (resid 95 and name n )
        (resid 95 and name ca) (resid 95 and name c )     6.7 0.5
  !!    D96
 assign (resid 95 and name c ) (resid 96 and name n )
        (resid 96 and name ca) (resid 96 and name c )     6.1 0.5
  !!    T97
 assign (resid 96 and name c ) (resid 97 and name n )
        (resid 97 and name ca) (resid 97 and name c )     6.8 0.5
  !! K98
 assign (resid 97 and name c ) (resid 98 and name n )
        (resid 98 and name ca) (resid 98 and name c )     7.7 0.5
  !!    T100
 assign (resid  99 and name c ) (resid 100 and name n )
        (resid 100 and name ca) (resid 100 and name c )   7.6 0.5
  !! R101
 assign (resid 100 and name c ) (resid 101 and name n )
        (resid 101 and name ca) (resid 101 and name c )   7.4 0.5
  !! I102
 assign (resid 101 and name c ) (resid 102 and name n )
        (resid 102 and name ca) (resid 102 and name c )   7.9 0.5
  !!    K106
 assign (resid 105 and name c ) (resid 106 and name n )
        (resid 106 and name ca) (resid 106 and name c )    7.1 0.5
  !!    I111
 assign (resid 110 and name c ) (resid 111 and name n )
        (resid 111 and name ca) (resid 111 and name c )    6.7 0.5
  !!    I112
 assign (resid 111 and name c ) (resid 112 and name n )
        (resid 112 and name ca) (resid 112 and name c )    8.4 0.5
  !!    R113
 assign (resid 112 and name c ) (resid 113 and name n )
        (resid 113 and name ca) (resid 113 and name c )    7.5 0.5
  !!    Q114
 assign (resid 113 and name c ) (resid 114 and name n )
        (resid 114 and name ca) (resid 114 and name c )    7.2 0.5
  !!    S116
 assign (resid 115 and name c ) (resid 116 and name n )
        (resid 116 and name ca) (resid 116 and name c )    7.0 0.5 
  !!    E117
 assign (resid 116 and name c ) (resid 117 and name n )
        (resid 117 and name ca) (resid 117 and name c )    6.2 0.5
  !!    E118
 assign (resid 117 and name c ) (resid 118 and name n )
        (resid 118 and name ca) (resid 118 and name c )    6.5 0.5
  !!    E119
 assign (resid 118 and name c ) (resid 119 and name n )
        (resid 119 and name ca) (resid 119 and name c )    6.5 0.5
  !!    I120
 assign (resid 119 and name c ) (resid 120 and name n )
        (resid 120 and name ca) (resid 120 and name c )    7.5 0.5
  !!    I121
 assign (resid 120 and name c ) (resid 121 and name n )
        (resid 121 and name ca) (resid 121 and name c )    7.4 0.5
  !!    K122
 assign (resid 121 and name c ) (resid 122 and name n )
        (resid 122 and name ca) (resid 122 and name c )    7.0 0.5
  !!    L123
 assign (resid 122 and name c ) (resid 123 and name n )
        (resid 123 and name ca) (resid 123 and name c )    7.2 0.5
  !!    A124
 assign (resid 123 and name c ) (resid 124 and name n )
        (resid 124 and name ca) (resid 124 and name c )    6.5 0.5
  !!    K128
 assign (resid 127 and name c ) (resid 128 and name n )
        (resid 128 and name ca) (resid 128 and name c )    7.1 0.5
  !!    K129
 assign (resid 128 and name c ) (resid 129 and name n )
        (resid 129 and name ca) (resid 129 and name c )    5.7 0.5
  !!    E130
 assign (resid 129 and name c ) (resid 130 and name n )
        (resid 130 and name ca) (resid 130 and name c )    7.1 0.5
}
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           H        MET   1 -16.103   1.398   2.127
    2    H2   MET   1           H2       MET   1 -16.089   0.797   0.550
    3    H3   MET   1           H3       MET   1 -14.978   0.230   1.698
    4    HA   MET   1           HA       MET   1 -13.763   1.655   0.270
    5    HB2  MET   1           HB3      MET   1 -15.792   3.728   1.091
    6    HB3  MET   1           HB2      MET   1 -14.372   4.044   0.120
    7    HG2  MET   1           HG3      MET   1 -15.305   2.640  -1.667
    8    HG3  MET   1           HG2      MET   1 -16.745   2.375  -0.674
    9    HE1  MET   1           HE1      MET   1 -16.918   3.468  -3.585
   10    HE2  MET   1           HE2      MET   1 -17.952   4.900  -3.489
   11    HE3  MET   1           HE3      MET   1 -18.405   3.421  -2.625
   12    H    ALA   2           H        ALA   2 -15.365   2.900   2.983
   13    HA   ALA   2           HA       ALA   2 -13.171   4.349   4.089
   14    HB1  ALA   2           HB1      ALA   2 -15.613   3.357   5.571
   15    HB2  ALA   2           HB2      ALA   2 -15.340   4.974   4.912
   16    HB3  ALA   2           HB3      ALA   2 -14.398   4.403   6.293
   17    H    GLU   3           H        GLU   3 -14.283   1.308   5.339
   18    HA   GLU   3           HA       GLU   3 -12.344   0.842   7.062
   19    HB2  GLU   3           HB3      GLU   3 -13.412  -1.319   5.185
   20    HB3  GLU   3           HB2      GLU   3 -12.549  -1.651   6.673
   21    HG2  GLU   3           HG3      GLU   3 -14.864  -2.019   7.060
   22    HG3  GLU   3           HG2      GLU   3 -14.418  -0.552   7.910
   23    H    TYR   4           H        TYR   4 -12.168   0.356   3.975
   24    HA   TYR   4           HA       TYR   4  -9.533  -0.646   3.534
   25    HB2  TYR   4           HB3      TYR   4 -10.927  -0.495   1.515
   26    HB3  TYR   4           HB2      TYR   4 -10.679   1.285   1.462
   27    HD1  TYR   4           HD1      TYR   4  -8.442  -1.644   1.887
   28    HD2  TYR   4           HD2      TYR   4  -9.425   1.744  -0.476
   29    HE1  TYR   4           HE1      TYR   4  -6.543  -2.116   0.410
   30    HE2  TYR   4           HE2      TYR   4  -7.505   1.292  -1.915
   31    HH   TYR   4           HH       TYR   4  -6.178  -0.758  -2.555
   32    H    GLY   5           H        GLY   5 -10.784   2.451   3.607
   33    HA2  GLY   5           HA3      GLY   5  -8.596   4.277   3.419
   34    HA3  GLY   5           HA2      GLY   5  -9.999   4.613   4.432
   35    H    THR   6           H        THR   6  -9.842   2.734   6.510
   36    HA   THR   6           HA       THR   6  -7.692   3.648   8.126
   37    HB   THR   6           HB       THR   6  -9.507   1.249   8.433
   38    HG1  THR   6           HG1      THR   6  -9.831   4.008   9.040
   39   HG21  THR   6          HG21      THR   6  -7.975   3.010  10.288
   40   HG22  THR   6          HG22      THR   6  -7.698   1.290   9.972
   41   HG23  THR   6          HG23      THR   6  -9.158   1.802  10.848
   42    H    LEU   7           H        LEU   7  -8.383   0.748   6.442
   43    HA   LEU   7           HA       LEU   7  -6.152  -0.857   6.949
   44    HB2  LEU   7           HB3      LEU   7  -7.863  -1.666   5.584
   45    HB3  LEU   7           HB2      LEU   7  -7.567  -0.484   4.350
   46    HG   LEU   7           HG       LEU   7  -7.010  -2.837   4.046
   47   HD11  LEU   7          HD11      LEU   7  -6.259  -1.127   2.518
   48   HD12  LEU   7          HD12      LEU   7  -4.972  -2.334   2.669
   49   HD13  LEU   7          HD13      LEU   7  -4.846  -0.775   3.524
   50   HD21  LEU   7          HD21      LEU   7  -4.306  -2.478   5.139
   51   HD22  LEU   7          HD22      LEU   7  -5.326  -3.910   5.042
   52   HD23  LEU   7          HD23      LEU   7  -5.611  -2.711   6.299
   53    H    LEU   8           H        LEU   8  -6.207   1.362   4.485
   54    HA   LEU   8           HA       LEU   8  -3.393   1.522   3.812
   55    HB2  LEU   8           HB3      LEU   8  -5.349   3.810   3.517
   56    HB3  LEU   8           HB2      LEU   8  -3.651   3.893   3.086
   57    HG   LEU   8           HG       LEU   8  -3.925   2.325   1.286
   58   HD11  LEU   8          HD11      LEU   8  -5.516   0.792   2.321
   59   HD12  LEU   8          HD12      LEU   8  -6.073   1.299   0.727
   60   HD13  LEU   8          HD13      LEU   8  -6.776   1.993   2.179
   61   HD21  LEU   8          HD21      LEU   8  -4.521   4.200   0.223
   62   HD22  LEU   8          HD22      LEU   8  -5.605   4.667   1.530
   63   HD23  LEU   8          HD23      LEU   8  -6.148   3.517   0.276
   64    H    GLN   9           H        GLN   9  -5.206   3.173   6.193
   65    HA   GLN   9           HA       GLN   9  -3.107   4.760   7.230
   66    HB2  GLN   9           HB3      GLN   9  -5.152   5.741   7.424
   67    HB3  GLN   9           HB2      GLN   9  -5.916   4.209   7.832
   68    HG2  GLN   9           HG3      GLN   9  -5.416   4.262   9.793
   69    HG3  GLN   9           HG2      GLN   9  -3.950   5.312   9.769
   70   HE21  GLN   9          HE22      GLN   9  -4.317   7.312  10.243
   71   HE22  GLN   9          HE21      GLN   9  -5.832   8.063  10.657
   72    H    ASP  10           H        ASP  10  -4.063   1.809   7.807
   73    HA   ASP  10           HA       ASP  10  -2.810   1.617  10.378
   74    HB2  ASP  10           HB3      ASP  10  -4.459  -0.583   9.270
   75    HB3  ASP  10           HB2      ASP  10  -3.228  -0.920  10.493
   76    H    LEU  11           H        LEU  11  -1.994   0.660   7.197
   77    HA   LEU  11           HA       LEU  11   0.348  -0.467   8.223
   78    HB2  LEU  11           HB3      LEU  11   0.981  -0.814   5.942
   79    HB3  LEU  11           HB2      LEU  11  -0.586  -1.533   6.284
   80    HG   LEU  11           HG       LEU  11  -1.452   0.643   5.191
   81   HD11  LEU  11          HD11      LEU  11   1.219   1.133   5.144
   82   HD12  LEU  11          HD12      LEU  11   0.015   1.969   4.164
   83   HD13  LEU  11          HD13      LEU  11   0.904   0.604   3.494
   84   HD21  LEU  11          HD21      LEU  11  -1.826  -0.594   3.287
   85   HD22  LEU  11          HD22      LEU  11  -1.403  -1.865   4.422
   86   HD23  LEU  11          HD23      LEU  11  -0.213  -1.272   3.259
   87    H    THR  12           H        THR  12  -0.869   2.419   7.142
   88    HA   THR  12           HA       THR  12   1.477   3.999   6.771
   89    HB   THR  12           HB       THR  12  -1.387   4.702   7.327
   90    HG1  THR  12           HG1      THR  12  -1.138   3.999   5.306
   91   HG21  THR  12          HG21      THR  12   0.862   6.372   7.555
   92   HG22  THR  12          HG22      THR  12  -0.891   6.688   7.796
   93   HG23  THR  12          HG23      THR  12  -0.174   6.780   6.124
   94    H    ASN  13           H        ASN  13  -0.454   3.189   9.566
   95    HA   ASN  13           HA       ASN  13   0.858   4.842  11.505
   96    HB2  ASN  13           HB3      ASN  13  -0.568   2.177  11.955
   97    HB3  ASN  13           HB2      ASN  13   0.078   3.169  13.253
   98   HD21  ASN  13          HD22      ASN  13  -2.741   2.246  12.033
   99   HD22  ASN  13          HD21      ASN  13  -3.623   3.699  12.183
  100    H    ASN  14           H        ASN  14   1.510   1.751  10.129
  101    HA   ASN  14           HA       ASN  14   3.794   1.260  11.850
  102    HB2  ASN  14           HB3      ASN  14   2.601  -0.414   9.608
  103    HB3  ASN  14           HB2      ASN  14   3.996  -0.884  10.548
  104   HD21  ASN  14          HD22      ASN  14   0.687  -1.156  10.326
  105   HD22  ASN  14          HD21      ASN  14   0.426  -1.715  11.934
  106    H    ILE  15           H        ILE  15   3.166   2.759   8.934
  107    HA   ILE  15           HA       ILE  15   5.644   2.249   7.607
  108    HB   ILE  15           HB       ILE  15   3.268   3.961   7.081
  109   HG12  ILE  15          HG13      ILE  15   3.371   1.649   6.277
  110   HG13  ILE  15          HG12      ILE  15   3.166   2.804   4.974
  111   HG21  ILE  15          HG21      ILE  15   4.248   5.585   6.019
  112   HG22  ILE  15          HG22      ILE  15   4.919   4.389   4.900
  113   HG23  ILE  15          HG23      ILE  15   5.853   4.883   6.323
  114   HD11  ILE  15          HD11      ILE  15   5.861   2.629   5.089
  115   HD12  ILE  15          HD12      ILE  15   4.867   1.709   3.977
  116   HD13  ILE  15          HD13      ILE  15   5.406   0.973   5.497
  117    H    THR  16           H        THR  16   7.469   3.038   8.227
  118    HA   THR  16           HA       THR  16   7.713   5.649   9.343
  119    HB   THR  16           HB       THR  16  10.064   5.070   9.624
  120    HG1  THR  16           HG1      THR  16   9.422   2.458   8.837
  121   HG21  THR  16          HG21      THR  16   8.367   4.455  11.207
  122   HG22  THR  16          HG22      THR  16   9.855   3.437  11.253
  123   HG23  THR  16          HG23      THR  16   8.382   2.854  10.378
  124    H    LEU  17           H        LEU  17   9.068   6.893   8.341
  125    HA   LEU  17           HA       LEU  17   8.873   7.299   5.521
  126    HB2  LEU  17           HB3      LEU  17   9.667   8.999   7.081
  127    HB3  LEU  17           HB2      LEU  17  11.213   8.193   7.193
  128    HG   LEU  17           HG       LEU  17  11.054  10.182   5.829
  129   HD11  LEU  17          HD11      LEU  17  12.010   8.826   3.595
  130   HD12  LEU  17          HD12      LEU  17  12.212   7.620   4.875
  131   HD13  LEU  17          HD13      LEU  17  12.979   9.191   5.029
  132   HD21  LEU  17          HD21      LEU  17   9.353  10.464   4.450
  133   HD22  LEU  17          HD22      LEU  17   8.959   8.751   4.478
  134   HD23  LEU  17          HD23      LEU  17  10.158   9.355   3.349
  135    H    GLU  18           H        GLU  18  11.415   5.701   7.367
  136    HA   GLU  18           HA       GLU  18  12.907   4.724   5.229
  137    HB2  GLU  18           HB3      GLU  18  12.647   3.552   8.014
  138    HB3  GLU  18           HB2      GLU  18  13.815   2.989   6.837
  139    HG2  GLU  18           HG3      GLU  18  14.924   4.439   8.387
  140    HG3  GLU  18           HG2      GLU  18  14.873   5.232   6.827
  141    H    ASP  19           H        ASP  19  10.451   3.145   6.941
  142    HA   ASP  19           HA       ASP  19  10.308   0.709   5.525
  143    HB2  ASP  19           HB3      ASP  19   7.967   2.176   6.761
  144    HB3  ASP  19           HB2      ASP  19   7.701   0.605   5.950
  145    H    LEU  20           H        LEU  20   8.500   3.516   4.730
  146    HA   LEU  20           HA       LEU  20   7.668   2.727   2.286
  147    HB2  LEU  20           HB3      LEU  20   8.289   5.477   3.061
  148    HB3  LEU  20           HB2      LEU  20   7.846   5.097   1.404
  149    HG   LEU  20           HG       LEU  20   6.171   4.505   3.823
  150   HD11  LEU  20          HD11      LEU  20   4.829   6.340   3.022
  151   HD12  LEU  20          HD12      LEU  20   5.852   6.546   1.615
  152   HD13  LEU  20          HD13      LEU  20   6.476   6.897   3.222
  153   HD21  LEU  20          HD21      LEU  20   4.474   4.133   1.901
  154   HD22  LEU  20          HD22      LEU  20   5.624   2.844   2.237
  155   HD23  LEU  20          HD23      LEU  20   5.903   3.920   0.879
  156    H    GLU  21           H        GLU  21  10.797   4.021   2.885
  157    HA   GLU  21           HA       GLU  21  11.816   4.293   0.296
  158    HB2  GLU  21           HB3      GLU  21  13.077   3.299   2.847
  159    HB3  GLU  21           HB2      GLU  21  14.012   3.397   1.376
  160    HG2  GLU  21           HG3      GLU  21  12.595   5.753   2.558
  161    HG3  GLU  21           HG2      GLU  21  14.243   5.303   3.020
  162    H    GLN  22           H        GLN  22  11.512   1.616   2.307
  163    HA   GLN  22           HA       GLN  22  12.775  -0.253   0.559
  164    HB2  GLN  22           HB3      GLN  22  12.777  -0.607   2.964
  165    HB3  GLN  22           HB2      GLN  22  11.049  -0.906   2.928
  166    HG2  GLN  22           HG3      GLN  22  11.341  -2.869   1.601
  167    HG3  GLN  22           HG2      GLN  22  13.084  -2.579   1.486
  168   HE21  GLN  22          HE22      GLN  22  10.741  -4.212   3.094
  169   HE22  GLN  22          HE21      GLN  22  11.640  -4.634   4.539
  170    H    LEU  23           H        LEU  23   9.274   0.343   1.204
  171    HA   LEU  23           HA       LEU  23   8.371  -1.486  -0.622
  172    HB2  LEU  23           HB3      LEU  23   7.268   1.210   0.217
  173    HB3  LEU  23           HB2      LEU  23   6.356  -0.052  -0.574
  174    HG   LEU  23           HG       LEU  23   7.566  -0.220   2.142
  175   HD11  LEU  23          HD11      LEU  23   4.723   0.099   1.201
  176   HD12  LEU  23          HD12      LEU  23   5.729   1.327   1.970
  177   HD13  LEU  23          HD13      LEU  23   5.260  -0.117   2.881
  178   HD21  LEU  23          HD21      LEU  23   7.169  -2.371   0.603
  179   HD22  LEU  23          HD22      LEU  23   5.519  -2.081   1.174
  180   HD23  LEU  23          HD23      LEU  23   6.836  -2.353   2.327
  181    H    LYS  24           H        LYS  24   9.316   1.700  -0.881
  182    HA   LYS  24           HA       LYS  24   8.740   2.187  -3.663
  183    HB2  LYS  24           HB3      LYS  24  10.971   3.558  -2.152
  184    HB3  LYS  24           HB2      LYS  24  10.417   4.021  -3.733
  185    HG2  LYS  24           HG3      LYS  24   8.739   4.202  -1.191
  186    HG3  LYS  24           HG2      LYS  24   9.592   5.550  -1.950
  187    HD2  LYS  24           HD3      LYS  24   7.356   5.832  -2.439
  188    HD3  LYS  24           HD2      LYS  24   8.042   5.106  -3.879
  189    HE2  LYS  24           HE3      LYS  24   6.540   3.540  -1.787
  190    HE3  LYS  24           HE2      LYS  24   5.775   4.315  -3.148
  191    HZ1  LYS  24           HZ1      LYS  24   6.028   2.221  -3.899
  192    HZ2  LYS  24           HZ2      LYS  24   7.470   1.957  -3.067
  193    HZ3  LYS  24           HZ3      LYS  24   7.470   2.915  -4.461
  194    H    SER  25           H        SER  25  11.336   1.286  -2.261
  195    HA   SER  25           HA       SER  25  13.229   0.680  -4.351
  196    HB2  SER  25           HB3      SER  25  13.254  -0.895  -1.719
  197    HB3  SER  25           HB2      SER  25  14.532  -0.955  -2.933
  198    HG   SER  25           HG       SER  25  13.703   1.253  -1.352
  199    H    ALA  26           H        ALA  26  11.093  -1.333  -2.863
  200    HA   ALA  26           HA       ALA  26  11.222  -3.506  -4.752
  201    HB1  ALA  26           HB1      ALA  26   9.630  -2.948  -2.454
  202    HB2  ALA  26           HB2      ALA  26   9.824  -4.500  -3.272
  203    HB3  ALA  26           HB3      ALA  26   8.556  -3.384  -3.778
  204    H    CYS  27           H        CYS  27   9.026  -0.705  -4.522
  205    HA   CYS  27           HA       CYS  27   7.700  -1.323  -6.909
  206    HB2  CYS  27           HB3      CYS  27   7.871   1.281  -5.516
  207    HB3  CYS  27           HB2      CYS  27   6.760   0.784  -6.798
  208    HG   CYS  27           HG       CYS  27   5.389  -1.005  -5.198
  209    H    LYS  28           H        LYS  28  10.804  -0.176  -6.817
  210    HA   LYS  28           HA       LYS  28  10.854   2.186  -8.123
  211    HB2  LYS  28           HB3      LYS  28  12.715  -0.114  -8.450
  212    HB3  LYS  28           HB2      LYS  28  13.095   1.477  -9.147
  213    HG2  LYS  28           HG3      LYS  28  12.982   2.314  -6.797
  214    HG3  LYS  28           HG2      LYS  28  12.714   0.653  -6.287
  215    HD2  LYS  28           HD3      LYS  28  14.825  -0.014  -7.309
  216    HD3  LYS  28           HD2      LYS  28  15.127   1.663  -7.772
  217    HE2  LYS  28           HE3      LYS  28  15.054   2.271  -5.371
  218    HE3  LYS  28           HE2      LYS  28  14.773   0.581  -5.004
  219    HZ1  LYS  28           HZ1      LYS  28  16.993   0.639  -4.721
  220    HZ2  LYS  28           HZ2      LYS  28  17.224   1.910  -5.788
  221    HZ3  LYS  28           HZ3      LYS  28  17.015   0.331  -6.395
  222    H    GLU  29           H        GLU  29  10.458  -0.840  -9.773
  223    HA   GLU  29           HA       GLU  29  10.435   0.418 -12.346
  224    HB2  GLU  29           HB3      GLU  29   9.617  -2.339 -11.566
  225    HB3  GLU  29           HB2      GLU  29   9.652  -1.744 -13.220
  226    HG2  GLU  29           HG3      GLU  29  12.027  -1.183 -12.961
  227    HG3  GLU  29           HG2      GLU  29  11.986  -1.930 -11.362
  228    H    ASP  30           H        ASP  30   7.881  -0.502 -10.102
  229    HA   ASP  30           HA       ASP  30   5.896   0.044 -12.071
  230    HB2  ASP  30           HB3      ASP  30   5.654  -0.712  -9.192
  231    HB3  ASP  30           HB2      ASP  30   4.268  -0.310 -10.187
  232    H    ILE  31           H        ILE  31   6.916   1.709  -9.144
  233    HA   ILE  31           HA       ILE  31   4.970   3.743  -9.864
  234    HB   ILE  31           HB       ILE  31   5.121   2.806  -7.481
  235   HG12  ILE  31          HG13      ILE  31   4.102   5.004  -7.886
  236   HG13  ILE  31          HG12      ILE  31   4.775   4.818  -6.268
  237   HG21  ILE  31          HG21      ILE  31   7.139   4.462  -6.470
  238   HG22  ILE  31          HG22      ILE  31   7.818   3.435  -7.753
  239   HG23  ILE  31          HG23      ILE  31   6.948   2.711  -6.380
  240   HD11  ILE  31          HD11      ILE  31   6.560   6.021  -8.237
  241   HD12  ILE  31          HD12      ILE  31   6.197   6.470  -6.554
  242   HD13  ILE  31          HD13      ILE  31   5.106   6.981  -7.844
  243    HA   PRO  32           HA       PRO  32   8.041   5.604 -12.018
  244    HB2  PRO  32           HB2      PRO  32   7.211   8.271 -12.133
  245    HB3  PRO  32           HB3      PRO  32   6.743   6.921 -13.206
  246    HG2  PRO  32           HG3      PRO  32   5.351   8.049 -10.854
  247    HG3  PRO  32           HG2      PRO  32   4.691   7.435 -12.388
  248    HD2  PRO  32           HD3      PRO  32   4.649   6.086 -10.084
  249    HD3  PRO  32           HD2      PRO  32   4.759   5.265 -11.675
  250    H    SER  33           H        SER  33   9.805   6.592 -11.896
  251    HA   SER  33           HA       SER  33  11.262   6.880  -9.530
  252    HB2  SER  33           HB3      SER  33  12.427   6.690 -11.701
  253    HB3  SER  33           HB2      SER  33  11.964   8.329 -12.127
  254    HG   SER  33           HG       SER  33  13.201   8.834 -10.008
  255    H    GLU  34           H        GLU  34  10.208   9.371 -11.424
  256    HA   GLU  34           HA       GLU  34  10.607  11.770 -10.005
  257    HB2  GLU  34           HB3      GLU  34   9.395  11.802 -12.199
  258    HB3  GLU  34           HB2      GLU  34   7.946  11.251 -11.388
  259    HG2  GLU  34           HG3      GLU  34   8.004  13.306  -9.977
  260    HG3  GLU  34           HG2      GLU  34   9.352  13.880 -10.949
  261    H    LYS  35           H        LYS  35   8.062   9.676  -9.713
  262    HA   LYS  35           HA       LYS  35   6.820  11.087  -7.560
  263    HB2  LYS  35           HB3      LYS  35   6.008   8.452  -8.714
  264    HB3  LYS  35           HB2      LYS  35   5.022   9.414  -7.598
  265    HG2  LYS  35           HG3      LYS  35   6.035  10.300 -10.247
  266    HG3  LYS  35           HG2      LYS  35   4.357   9.777  -9.900
  267    HD2  LYS  35           HD3      LYS  35   4.191  11.504  -8.248
  268    HD3  LYS  35           HD2      LYS  35   5.836  12.033  -8.543
  269    HE2  LYS  35           HE3      LYS  35   5.168  12.638 -10.850
  270    HE3  LYS  35           HE2      LYS  35   3.486  12.309 -10.370
  271    HZ1  LYS  35           HZ1      LYS  35   3.565  14.501  -9.779
  272    HZ2  LYS  35           HZ2      LYS  35   5.242  14.477  -9.584
  273    HZ3  LYS  35           HZ3      LYS  35   4.314  13.852  -8.359
  274    H    SER  36           H        SER  36   8.322   7.891  -7.599
  275    HA   SER  36           HA       SER  36   8.107   7.308  -4.986
  276    HB2  SER  36           HB3      SER  36   8.981   5.835  -6.628
  277    HB3  SER  36           HB2      SER  36  10.425   6.832  -6.865
  278    HG   SER  36           HG       SER  36  10.809   6.382  -4.554
  279    H    GLU  37           H        GLU  37   9.970   9.589  -6.386
  280    HA   GLU  37           HA       GLU  37  11.860  10.168  -4.294
  281    HB2  GLU  37           HB3      GLU  37  10.893  12.170  -6.352
  282    HB3  GLU  37           HB2      GLU  37  12.230  12.433  -5.256
  283    HG2  GLU  37           HG3      GLU  37  13.453  10.583  -6.268
  284    HG3  GLU  37           HG2      GLU  37  12.092  10.262  -7.341
  285    H    GLU  38           H        GLU  38   8.664  11.965  -4.923
  286    HA   GLU  38           HA       GLU  38   8.956  13.253  -2.539
  287    HB2  GLU  38           HB3      GLU  38   6.814  14.214  -3.291
  288    HB3  GLU  38           HB2      GLU  38   8.073  14.312  -4.501
  289    HG2  GLU  38           HG3      GLU  38   7.104  12.377  -5.678
  290    HG3  GLU  38           HG2      GLU  38   5.833  12.266  -4.494
  291    H    ILE  39           H        ILE  39   8.463  10.225  -2.424
  292    HA   ILE  39           HA       ILE  39   5.881  10.245  -1.170
  293    HB   ILE  39           HB       ILE  39   7.632   7.978  -2.007
  294   HG12  ILE  39          HG13      ILE  39   4.882   8.914  -2.815
  295   HG13  ILE  39          HG12      ILE  39   6.390   9.289  -3.665
  296   HG21  ILE  39          HG21      ILE  39   6.540   7.233   0.037
  297   HG22  ILE  39          HG22      ILE  39   5.758   6.488  -1.349
  298   HG23  ILE  39          HG23      ILE  39   4.990   7.867  -0.513
  299   HD11  ILE  39          HD11      ILE  39   4.724   7.416  -4.325
  300   HD12  ILE  39          HD12      ILE  39   5.690   6.473  -3.172
  301   HD13  ILE  39          HD13      ILE  39   6.466   7.274  -4.565
  302    H    THR  40           H        THR  40   6.926  11.720   0.356
  303    HA   THR  40           HA       THR  40   8.299  10.427   2.563
  304    HB   THR  40           HB       THR  40   9.073  12.542   1.835
  305    HG1  THR  40           HG1      THR  40   7.885  12.574   4.384
  306   HG21  THR  40          HG21      THR  40   7.362  13.590   0.798
  307   HG22  THR  40          HG22      THR  40   7.494  14.592   2.257
  308   HG23  THR  40          HG23      THR  40   6.228  13.327   2.100
  309    H    THR  41           H        THR  41   5.424   9.813   2.106
  310    HA   THR  41           HA       THR  41   4.864   9.393   4.731
  311    HB   THR  41           HB       THR  41   4.064  11.467   5.010
  312    HG1  THR  41           HG1      THR  41   1.843  11.160   5.614
  313   HG21  THR  41          HG21      THR  41   2.425  11.203   2.534
  314   HG22  THR  41          HG22      THR  41   3.631  12.431   2.941
  315   HG23  THR  41          HG23      THR  41   2.059  12.429   3.754
  316    H    GLY  42           H        GLY  42   3.218   7.969   5.158
  317    HA2  GLY  42           HA3      GLY  42   3.109   5.919   3.152
  318    HA3  GLY  42           HA2      GLY  42   2.124   5.923   4.609
  319    H    SER  43           H        SER  43   0.389   8.064   4.395
  320    HA   SER  43           HA       SER  43  -1.431   7.408   2.614
  321    HB2  SER  43           HB3      SER  43  -0.730  10.090   3.797
  322    HB3  SER  43           HB2      SER  43  -2.317   9.605   3.179
  323    HG   SER  43           HG       SER  43  -2.080   7.799   4.784
  324    H    ALA  44           H        ALA  44   1.216   9.552   2.263
  325    HA   ALA  44           HA       ALA  44   0.558  10.880  -0.186
  326    HB1  ALA  44           HB1      ALA  44   3.272  10.571  -0.597
  327    HB2  ALA  44           HB2      ALA  44   3.114  10.546   1.161
  328    HB3  ALA  44           HB3      ALA  44   2.516  11.926   0.246
  329    H    TRP  45           H        TRP  45   2.426   7.867   0.191
  330    HA   TRP  45           HA       TRP  45   2.565   7.356  -2.545
  331    HB2  TRP  45           HB3      TRP  45   3.953   6.207  -0.782
  332    HB3  TRP  45           HB2      TRP  45   2.515   5.387  -0.274
  333    HD1  TRP  45           HD1      TRP  45   3.955   5.751  -3.935
  334    HE1  TRP  45           HE1      TRP  45   3.967   3.359  -4.913
  335    HE3  TRP  45           HE3      TRP  45   2.395   3.151   0.131
  336    HZ2  TRP  45           HZ2      TRP  45   3.538   0.833  -4.133
  337    HZ3  TRP  45           HZ3      TRP  45   2.220   0.810  -0.006
  338    HH2  TRP  45           HH2      TRP  45   2.797  -0.406  -2.148
  339    H    PHE  46           H        PHE  46   0.038   6.447  -0.150
  340    HA   PHE  46           HA       PHE  46  -1.242   4.866  -2.041
  341    HB2  PHE  46           HB3      PHE  46  -2.323   6.347   0.363
  342    HB3  PHE  46           HB2      PHE  46  -3.286   5.267  -0.640
  343    HD1  PHE  46           HD1      PHE  46  -2.116   3.001  -1.104
  344    HD2  PHE  46           HD2      PHE  46  -1.422   5.444   2.355
  345    HE1  PHE  46           HE1      PHE  46  -1.469   1.027   0.170
  346    HE2  PHE  46           HE2      PHE  46  -0.852   3.490   3.627
  347    HZ   PHE  46           HZ       PHE  46  -0.844   1.216   2.472
  348    H    SER  47           H        SER  47  -1.645   7.937  -1.009
  349    HA   SER  47           HA       SER  47  -3.674   8.851  -2.778
  350    HB2  SER  47           HB3      SER  47  -1.690  10.604  -1.394
  351    HB3  SER  47           HB2      SER  47  -3.110  11.225  -2.247
  352    HG   SER  47           HG       SER  47  -4.249   9.595  -0.880
  353    H    PHE  48           H        PHE  48  -0.277   8.763  -3.421
  354    HA   PHE  48           HA       PHE  48  -0.409  10.141  -5.938
  355    HB2  PHE  48           HB3      PHE  48   1.791   9.761  -4.968
  356    HB3  PHE  48           HB2      PHE  48   1.438   8.044  -4.799
  357    HD1  PHE  48           HD1      PHE  48   1.448  10.622  -7.539
  358    HD2  PHE  48           HD2      PHE  48   2.199   6.651  -6.289
  359    HE1  PHE  48           HE1      PHE  48   2.094  10.040  -9.792
  360    HE2  PHE  48           HE2      PHE  48   2.863   6.058  -8.605
  361    HZ   PHE  48           HZ       PHE  48   2.802   7.743 -10.335
  362    H    LEU  49           H        LEU  49  -0.231   6.681  -4.857
  363    HA   LEU  49           HA       LEU  49  -0.442   5.429  -7.167
  364    HB2  LEU  49           HB3      LEU  49   0.093   4.882  -4.834
  365    HB3  LEU  49           HB2      LEU  49  -1.641   4.687  -4.568
  366    HG   LEU  49           HG       LEU  49  -1.525   2.526  -6.024
  367   HD11  LEU  49          HD11      LEU  49   0.376   1.959  -7.062
  368   HD12  LEU  49          HD12      LEU  49   1.354   3.194  -6.249
  369   HD13  LEU  49          HD13      LEU  49   0.167   3.653  -7.488
  370   HD21  LEU  49          HD21      LEU  49  -0.956   2.428  -3.621
  371   HD22  LEU  49          HD22      LEU  49   0.714   2.803  -4.026
  372   HD23  LEU  49          HD23      LEU  49  -0.021   1.313  -4.606
  373    H    GLU  50           H        GLU  50  -2.911   6.080  -4.936
  374    HA   GLU  50           HA       GLU  50  -5.398   5.550  -6.133
  375    HB2  GLU  50           HB3      GLU  50  -5.015   8.160  -4.625
  376    HB3  GLU  50           HB2      GLU  50  -6.554   7.446  -5.012
  377    HG2  GLU  50           HG3      GLU  50  -6.093   5.611  -3.500
  378    HG3  GLU  50           HG2      GLU  50  -4.515   6.299  -3.135
  379    H    SER  51           H        SER  51  -3.827   8.265  -6.303
  380    HA   SER  51           HA       SER  51  -5.382   9.857  -8.201
  381    HB2  SER  51           HB3      SER  51  -2.412  10.374  -7.791
  382    HB3  SER  51           HB2      SER  51  -3.516  11.404  -8.694
  383    HG   SER  51           HG       SER  51  -3.606  10.719  -5.973
  384    H    HIS  52           H        HIS  52  -2.930   7.570  -8.758
  385    HA   HIS  52           HA       HIS  52  -3.569   7.665 -11.617
  386    HB2  HIS  52           HB3      HIS  52  -1.191   6.408 -10.257
  387    HB3  HIS  52           HB2      HIS  52  -1.482   6.113 -11.992
  388    HD1  HIS  52           HD1      HIS  52   0.769   7.332 -12.738
  389    HD2  HIS  52           HD2      HIS  52  -1.538   9.307  -9.987
  390    HE1  HIS  52           HE1      HIS  52   1.829   9.593 -12.591
  391    H    ASN  53           H        ASN  53  -4.004   5.496 -12.531
  392    HA   ASN  53           HA       ASN  53  -5.443   4.438 -10.350
  393    HB2  ASN  53           HB3      ASN  53  -6.122   4.062 -13.243
  394    HB3  ASN  53           HB2      ASN  53  -6.890   3.103 -11.995
  395   HD21  ASN  53          HD22      ASN  53  -6.298   6.028 -10.436
  396   HD22  ASN  53          HD21      ASN  53  -7.788   6.787 -10.813
  397    H    LYS  54           H        LYS  54  -3.242   3.816  -9.666
  398    HA   LYS  54           HA       LYS  54  -3.056   0.966 -10.327
  399    HB2  LYS  54           HB3      LYS  54  -0.965   2.541  -8.774
  400    HB3  LYS  54           HB2      LYS  54  -0.829   0.856  -9.248
  401    HG2  LYS  54           HG3      LYS  54  -0.622   3.314 -10.990
  402    HG3  LYS  54           HG2      LYS  54   0.557   2.048 -10.614
  403    HD2  LYS  54           HD3      LYS  54  -1.946   1.621 -12.216
  404    HD3  LYS  54           HD2      LYS  54  -0.350   1.894 -12.898
  405    HE2  LYS  54           HE3      LYS  54   0.432  -0.183 -11.843
  406    HE3  LYS  54           HE2      LYS  54  -1.187  -0.436 -11.168
  407    HZ1  LYS  54           HZ1      LYS  54  -1.846  -0.143 -13.642
  408    HZ2  LYS  54           HZ2      LYS  54  -1.377  -1.660 -13.096
  409    HZ3  LYS  54           HZ3      LYS  54  -0.303  -0.664 -13.972
  410    H    LEU  55           H        LEU  55  -4.838   2.684  -8.356
  411    HA   LEU  55           HA       LEU  55  -5.267   0.487  -6.643
  412    HB2  LEU  55           HB3      LEU  55  -3.245   1.239  -5.498
  413    HB3  LEU  55           HB2      LEU  55  -3.907   2.841  -5.328
  414    HG   LEU  55           HG       LEU  55  -5.201   0.461  -3.915
  415   HD11  LEU  55          HD11      LEU  55  -3.372   0.341  -2.589
  416   HD12  LEU  55          HD12      LEU  55  -3.750   1.965  -2.039
  417   HD13  LEU  55          HD13      LEU  55  -2.638   1.729  -3.397
  418   HD21  LEU  55          HD21      LEU  55  -6.483   2.553  -3.949
  419   HD22  LEU  55          HD22      LEU  55  -5.115   3.404  -3.219
  420   HD23  LEU  55          HD23      LEU  55  -5.940   2.148  -2.310
  421    H    ASP  56           H        ASP  56  -7.285   0.482  -6.906
  422    HA   ASP  56           HA       ASP  56  -9.008   2.718  -6.475
  423    HB2  ASP  56           HB3      ASP  56  -9.772  -0.168  -6.777
  424    HB3  ASP  56           HB2      ASP  56 -10.899   1.126  -6.492
  425    H    LYS  57           H        LYS  57 -10.893   2.313  -5.064
  426    HA   LYS  57           HA       LYS  57 -10.234   2.101  -2.306
  427    HB2  LYS  57           HB3      LYS  57 -12.576   2.288  -1.782
  428    HB3  LYS  57           HB2      LYS  57 -12.246   3.363  -3.126
  429    HG2  LYS  57           HG3      LYS  57 -13.433   0.655  -3.278
  430    HG3  LYS  57           HG2      LYS  57 -14.379   2.159  -3.370
  431    HD2  LYS  57           HD3      LYS  57 -13.048   2.712  -5.400
  432    HD3  LYS  57           HD2      LYS  57 -12.253   1.144  -5.134
  433    HE2  LYS  57           HE3      LYS  57 -14.021   1.073  -6.959
  434    HE3  LYS  57           HE2      LYS  57 -14.223  -0.101  -5.666
  435    HZ1  LYS  57           HZ1      LYS  57 -15.960   2.074  -6.473
  436    HZ2  LYS  57           HZ2      LYS  57 -15.759   1.948  -4.801
  437    HZ3  LYS  57           HZ3      LYS  57 -16.296   0.640  -5.669
  438    H    ASP  58           H        ASP  58 -11.086  -0.326  -4.705
  439    HA   ASP  58           HA       ASP  58 -11.387  -2.300  -2.602
  440    HB2  ASP  58           HB3      ASP  58 -12.335  -2.433  -5.473
  441    HB3  ASP  58           HB2      ASP  58 -12.263  -3.825  -4.414
  442    H    ASN  59           H        ASN  59  -9.576  -1.388  -5.248
  443    HA   ASN  59           HA       ASN  59  -8.192  -3.907  -5.300
  444    HB2  ASN  59           HB3      ASN  59  -7.864  -1.485  -7.024
  445    HB3  ASN  59           HB2      ASN  59  -6.904  -2.963  -7.197
  446   HD21  ASN  59          HD22      ASN  59  -9.755  -1.441  -7.963
  447   HD22  ASN  59          HD21      ASN  59 -10.622  -2.793  -8.572
  448    H    LEU  60           H        LEU  60  -6.617  -4.447  -4.661
  449    HA   LEU  60           HA       LEU  60  -4.705  -2.726  -3.254
  450    HB2  LEU  60           HB3      LEU  60  -4.608  -4.399  -1.432
  451    HB3  LEU  60           HB2      LEU  60  -6.111  -3.520  -1.545
  452    HG   LEU  60           HG       LEU  60  -7.128  -5.542  -2.636
  453   HD11  LEU  60          HD11      LEU  60  -5.231  -6.596  -3.506
  454   HD12  LEU  60          HD12      LEU  60  -6.017  -7.713  -2.395
  455   HD13  LEU  60          HD13      LEU  60  -4.525  -6.848  -1.915
  456   HD21  LEU  60          HD21      LEU  60  -7.801  -5.488  -0.484
  457   HD22  LEU  60          HD22      LEU  60  -6.144  -5.375   0.116
  458   HD23  LEU  60          HD23      LEU  60  -6.783  -6.941  -0.387
  459    H    SER  61           H        SER  61  -5.116  -5.362  -5.195
  460    HA   SER  61           HA       SER  61  -3.033  -6.982  -4.793
  461    HB2  SER  61           HB3      SER  61  -4.700  -7.430  -6.560
  462    HB3  SER  61           HB2      SER  61  -3.977  -6.203  -7.574
  463    HG   SER  61           HG       SER  61  -3.272  -8.780  -7.239
  464    H    TYR  62           H        TYR  62  -2.769  -4.063  -6.368
  465    HA   TYR  62           HA       TYR  62  -0.090  -4.083  -7.332
  466    HB2  TYR  62           HB3      TYR  62  -1.598  -2.152  -7.797
  467    HB3  TYR  62           HB2      TYR  62  -1.557  -1.707  -6.104
  468    HD1  TYR  62           HD1      TYR  62   0.452  -1.854  -9.211
  469    HD2  TYR  62           HD2      TYR  62   0.289  -0.507  -5.189
  470    HE1  TYR  62           HE1      TYR  62   2.523  -0.620  -9.530
  471    HE2  TYR  62           HE2      TYR  62   2.443   0.595  -5.446
  472    HH   TYR  62           HH       TYR  62   4.201   0.462  -8.488
  473    H    ILE  63           H        ILE  63  -1.397  -3.008  -4.269
  474    HA   ILE  63           HA       ILE  63   1.151  -2.422  -3.052
  475    HB   ILE  63           HB       ILE  63   0.001  -1.452  -1.266
  476   HG12  ILE  63          HG13      ILE  63  -2.583  -2.592  -2.295
  477   HG13  ILE  63          HG12      ILE  63  -1.671  -3.334  -0.980
  478   HG21  ILE  63          HG21      ILE  63  -1.562  -1.119  -3.716
  479   HG22  ILE  63          HG22      ILE  63  -0.022  -0.318  -3.368
  480   HG23  ILE  63          HG23      ILE  63  -1.476   0.039  -2.383
  481   HD11  ILE  63          HD11      ILE  63  -3.090  -2.038   0.189
  482   HD12  ILE  63          HD12      ILE  63  -3.127  -0.768  -1.062
  483   HD13  ILE  63          HD13      ILE  63  -1.689  -0.970  -0.047
  484    H    GLU  64           H        GLU  64  -1.025  -4.976  -3.070
  485    HA   GLU  64           HA       GLU  64  -0.386  -6.155  -0.525
  486    HB2  GLU  64           HB3      GLU  64  -2.449  -6.819  -1.700
  487    HB3  GLU  64           HB2      GLU  64  -1.464  -7.477  -3.018
  488    HG2  GLU  64           HG3      GLU  64  -0.580  -9.164  -1.527
  489    HG3  GLU  64           HG2      GLU  64  -1.472  -8.471  -0.176
  490    H    HIS  65           H        HIS  65   0.603  -6.910  -3.861
  491    HA   HIS  65           HA       HIS  65   2.746  -8.581  -3.443
  492    HB2  HIS  65           HB3      HIS  65   1.699  -7.805  -5.569
  493    HB3  HIS  65           HB2      HIS  65   2.345  -6.204  -5.244
  494    HD1  HIS  65           HD1      HIS  65   3.701  -9.738  -5.911
  495    HD2  HIS  65           HD2      HIS  65   4.656  -5.733  -6.329
  496    HE1  HIS  65           HE1      HIS  65   5.875  -9.739  -7.124
  497    H    ILE  66           H        ILE  66   2.944  -5.194  -3.727
  498    HA   ILE  66           HA       ILE  66   5.476  -4.748  -3.161
  499    HB   ILE  66           HB       ILE  66   3.345  -3.116  -1.879
  500   HG12  ILE  66          HG13      ILE  66   3.064  -3.518  -4.071
  501   HG13  ILE  66          HG12      ILE  66   3.368  -1.744  -4.003
  502   HG21  ILE  66          HG21      ILE  66   5.037  -1.179  -1.996
  503   HG22  ILE  66          HG22      ILE  66   6.272  -2.356  -2.402
  504   HG23  ILE  66          HG23      ILE  66   5.477  -2.431  -0.850
  505   HD11  ILE  66          HD11      ILE  66   4.974  -4.037  -5.094
  506   HD12  ILE  66          HD12      ILE  66   5.728  -2.470  -4.703
  507   HD13  ILE  66          HD13      ILE  66   4.402  -2.528  -5.876
  508    H    PHE  67           H        PHE  67   2.976  -5.148  -0.498
  509    HA   PHE  67           HA       PHE  67   4.912  -4.940   1.345
  510    HB2  PHE  67           HB3      PHE  67   2.122  -6.081   1.530
  511    HB3  PHE  67           HB2      PHE  67   3.164  -5.686   2.894
  512    HD1  PHE  67           HD2      PHE  67   4.220  -3.188   2.625
  513    HD2  PHE  67           HD1      PHE  67   0.544  -4.586   1.084
  514    HE1  PHE  67           HE2      PHE  67   3.419  -0.844   2.472
  515    HE2  PHE  67           HE1      PHE  67  -0.273  -2.262   0.923
  516    HZ   PHE  67           HZ       PHE  67   1.188  -0.399   1.629
  517    H    GLU  68           H        GLU  68   3.899  -7.787  -0.730
  518    HA   GLU  68           HA       GLU  68   4.795  -9.865   0.969
  519    HB2  GLU  68           HB3      GLU  68   3.177 -10.150  -0.877
  520    HB3  GLU  68           HB2      GLU  68   4.295  -9.458  -2.012
  521    HG2  GLU  68           HG3      GLU  68   5.770 -11.433  -1.723
  522    HG3  GLU  68           HG2      GLU  68   4.555 -12.128  -0.646
  523    H    ILE  69           H        ILE  69   6.027  -8.363  -1.916
  524    HA   ILE  69           HA       ILE  69   8.402  -9.561  -1.836
  525    HB   ILE  69           HB       ILE  69   9.231  -7.993  -3.491
  526   HG12  ILE  69          HG13      ILE  69   6.590  -6.577  -3.040
  527   HG13  ILE  69          HG12      ILE  69   8.195  -5.917  -2.686
  528   HG21  ILE  69          HG21      ILE  69   6.457  -8.563  -4.242
  529   HG22  ILE  69          HG22      ILE  69   7.441  -9.923  -3.680
  530   HG23  ILE  69          HG23      ILE  69   7.951  -8.995  -5.089
  531   HD11  ILE  69          HD11      ILE  69   8.345  -5.194  -4.735
  532   HD12  ILE  69          HD12      ILE  69   6.715  -5.851  -5.073
  533   HD13  ILE  69          HD13      ILE  69   8.142  -6.883  -5.249
  534    H    SER  70           H        SER  70   7.621  -6.600  -0.307
  535    HA   SER  70           HA       SER  70  10.336  -6.013   0.489
  536    HB2  SER  70           HB3      SER  70   8.728  -4.221   0.032
  537    HB3  SER  70           HB2      SER  70   7.662  -4.843   1.286
  538    HG   SER  70           HG       SER  70   8.840  -3.175   2.075
  539    H    ARG  71           H        ARG  71  11.158  -6.449   2.504
  540    HA   ARG  71           HA       ARG  71   9.953  -8.559   3.938
  541    HB2  ARG  71           HB3      ARG  71  12.537  -7.117   4.444
  542    HB3  ARG  71           HB2      ARG  71  11.923  -8.422   5.470
  543    HG2  ARG  71           HG3      ARG  71  12.508  -8.618   2.558
  544    HG3  ARG  71           HG2      ARG  71  13.582  -9.204   3.859
  545    HD2  ARG  71           HD3      ARG  71  11.610 -10.658   4.579
  546    HD3  ARG  71           HD2      ARG  71  10.820 -10.166   3.087
  547    HE   ARG  71           HE       ARG  71  12.776 -12.132   3.420
  548   HH11  ARG  71          HH11      ARG  71  11.522  -9.887   0.939
  549   HH12  ARG  71          HH12      ARG  71  12.443 -10.521  -0.328
  550   HH21  ARG  71          HH22      ARG  71  14.025 -13.002   1.690
  551   HH22  ARG  71          HH21      ARG  71  13.970 -12.390   0.097
  552    H    ARG  72           H        ARG  72   8.149  -6.995   4.299
  553    HA   ARG  72           HA       ARG  72   8.227  -5.998   7.075
  554    HB2  ARG  72           HB3      ARG  72   8.738  -4.163   5.377
  555    HB3  ARG  72           HB2      ARG  72   7.094  -4.368   4.793
  556    HG2  ARG  72           HG3      ARG  72   7.078  -2.531   6.268
  557    HG3  ARG  72           HG2      ARG  72   6.318  -3.863   7.135
  558    HD2  ARG  72           HD3      ARG  72   8.429  -4.353   8.265
  559    HD3  ARG  72           HD2      ARG  72   9.196  -3.017   7.409
  560    HE   ARG  72           HE       ARG  72   8.188  -1.542   8.687
  561   HH11  ARG  72          HH11      ARG  72   7.275  -4.690   9.853
  562   HH12  ARG  72          HH12      ARG  72   6.097  -4.201  10.945
  563   HH21  ARG  72          HH22      ARG  72   6.511  -0.690  10.178
  564   HH22  ARG  72          HH21      ARG  72   5.648  -1.806  11.137
  565    HA   PRO  73           HA       PRO  73   4.521  -8.481   5.312
  566    HB2  PRO  73           HB2      PRO  73   4.934 -10.214   7.665
  567    HB3  PRO  73           HB3      PRO  73   4.657 -10.626   5.977
  568    HG2  PRO  73           HG3      PRO  73   7.084 -10.876   7.017
  569    HG3  PRO  73           HG2      PRO  73   6.847 -10.263   5.356
  570    HD2  PRO  73           HD3      PRO  73   7.386  -8.718   7.870
  571    HD3  PRO  73           HD2      PRO  73   8.126  -8.555   6.259
  572    H    ASP  74           H        ASP  74   4.948  -6.657   8.097
  573    HA   ASP  74           HA       ASP  74   2.600  -7.404   9.609
  574    HB2  ASP  74           HB3      ASP  74   4.006  -4.718   9.562
  575    HB3  ASP  74           HB2      ASP  74   2.837  -5.238  10.761
  576    H    LEU  75           H        LEU  75   3.438  -5.066   7.438
  577    HA   LEU  75           HA       LEU  75   0.911  -3.766   7.151
  578    HB2  LEU  75           HB3      LEU  75   3.213  -3.816   5.204
  579    HB3  LEU  75           HB2      LEU  75   1.785  -2.845   4.985
  580    HG   LEU  75           HG       LEU  75   2.395  -1.474   7.015
  581   HD11  LEU  75          HD11      LEU  75   4.610  -1.720   8.037
  582   HD12  LEU  75          HD12      LEU  75   4.771  -3.291   7.229
  583   HD13  LEU  75          HD13      LEU  75   3.500  -3.040   8.402
  584   HD21  LEU  75          HD21      LEU  75   3.957  -1.755   4.612
  585   HD22  LEU  75          HD22      LEU  75   4.856  -1.011   5.939
  586   HD23  LEU  75          HD23      LEU  75   3.328  -0.305   5.421
  587    H    LEU  76           H        LEU  76   2.494  -6.011   5.216
  588    HA   LEU  76           HA       LEU  76   0.625  -6.732   3.165
  589    HB2  LEU  76           HB3      LEU  76   2.817  -8.068   3.481
  590    HB3  LEU  76           HB2      LEU  76   1.894  -8.922   4.731
  591    HG   LEU  76           HG       LEU  76   0.218  -9.365   2.985
  592   HD11  LEU  76          HD11      LEU  76   0.469  -9.305   0.871
  593   HD12  LEU  76          HD12      LEU  76   2.218  -9.174   0.924
  594   HD13  LEU  76          HD13      LEU  76   1.202  -7.797   1.387
  595   HD21  LEU  76          HD21      LEU  76   2.067 -11.185   2.031
  596   HD22  LEU  76          HD22      LEU  76   0.975 -11.348   3.408
  597   HD23  LEU  76          HD23      LEU  76   2.621 -10.771   3.668
  598    H    THR  77           H        THR  77   0.971  -8.263   6.141
  599    HA   THR  77           HA       THR  77  -1.210  -9.878   6.386
  600    HB   THR  77           HB       THR  77   0.162  -8.292   8.454
  601    HG1  THR  77           HG1      THR  77   1.599  -9.720   7.857
  602   HG21  THR  77          HG21      THR  77  -0.757 -10.254   9.929
  603   HG22  THR  77          HG22      THR  77  -1.971 -10.267   8.612
  604   HG23  THR  77          HG23      THR  77  -1.656  -8.761   9.533
  605    H    MET  78           H        MET  78  -1.021  -6.523   7.293
  606    HA   MET  78           HA       MET  78  -3.685  -6.266   8.200
  607    HB2  MET  78           HB3      MET  78  -1.837  -4.180   7.094
  608    HB3  MET  78           HB2      MET  78  -3.399  -3.824   7.820
  609    HG2  MET  78           HG3      MET  78  -1.247  -5.327   9.228
  610    HG3  MET  78           HG2      MET  78  -1.361  -3.555   9.326
  611    HE1  MET  78           HE1      MET  78  -3.601  -6.906  11.396
  612    HE2  MET  78           HE2      MET  78  -3.081  -6.898   9.707
  613    HE3  MET  78           HE3      MET  78  -4.701  -6.340  10.133
  614    H    VAL  79           H        VAL  79  -2.319  -5.982   4.991
  615    HA   VAL  79           HA       VAL  79  -4.712  -5.037   3.716
  616    HB   VAL  79           HB       VAL  79  -2.379  -6.563   2.535
  617   HG11  VAL  79          HG11      VAL  79  -3.191  -6.240   0.520
  618   HG12  VAL  79          HG12      VAL  79  -3.606  -4.564   0.842
  619   HG13  VAL  79          HG13      VAL  79  -4.717  -5.850   1.300
  620   HG21  VAL  79          HG21      VAL  79  -1.551  -4.688   3.739
  621   HG22  VAL  79          HG22      VAL  79  -2.679  -3.599   2.936
  622   HG23  VAL  79          HG23      VAL  79  -1.377  -4.365   2.010
  623    H    VAL  80           H        VAL  80  -3.068  -8.121   3.954
  624    HA   VAL  80           HA       VAL  80  -4.883  -9.784   2.654
  625    HB   VAL  80           HB       VAL  80  -3.017 -10.413   5.009
  626   HG11  VAL  80          HG11      VAL  80  -4.904 -12.103   4.571
  627   HG12  VAL  80          HG12      VAL  80  -3.229 -12.654   4.661
  628   HG13  VAL  80          HG13      VAL  80  -4.006 -12.476   3.083
  629   HG21  VAL  80          HG21      VAL  80  -1.394 -10.150   3.523
  630   HG22  VAL  80          HG22      VAL  80  -2.549  -9.903   2.218
  631   HG23  VAL  80          HG23      VAL  80  -2.034 -11.542   2.647
  632    H    ASP  81           H        ASP  81  -4.544  -9.246   5.925
  633    HA   ASP  81           HA       ASP  81  -6.737 -10.605   6.999
  634    HB2  ASP  81           HB3      ASP  81  -4.904  -9.779   8.464
  635    HB3  ASP  81           HB2      ASP  81  -5.567  -8.151   8.346
  636    H    TYR  82           H        TYR  82  -6.521  -7.305   6.176
  637    HA   TYR  82           HA       TYR  82  -9.103  -6.255   6.760
  638    HB2  TYR  82           HB3      TYR  82  -7.510  -4.722   6.062
  639    HB3  TYR  82           HB2      TYR  82  -7.148  -5.620   4.580
  640    HD1  TYR  82           HD2      TYR  82  -9.977  -3.867   6.278
  641    HD2  TYR  82           HD1      TYR  82  -8.035  -4.921   2.688
  642    HE1  TYR  82           HE2      TYR  82 -11.573  -2.475   4.966
  643    HE2  TYR  82           HE1      TYR  82  -9.610  -3.581   1.394
  644    HH   TYR  82           HH       TYR  82 -11.288  -2.038   1.555
  645    H    ARG  83           H        ARG  83  -7.850  -7.670   3.770
  646    HA   ARG  83           HA       ARG  83 -10.159  -7.491   2.310
  647    HB2  ARG  83           HB3      ARG  83  -8.259  -7.782   1.013
  648    HB3  ARG  83           HB2      ARG  83  -7.596  -8.972   2.095
  649    HG2  ARG  83           HG3      ARG  83  -9.921  -9.667   0.384
  650    HG3  ARG  83           HG2      ARG  83  -8.270  -9.674  -0.308
  651    HD2  ARG  83           HD3      ARG  83  -7.662 -11.176   1.619
  652    HD3  ARG  83           HD2      ARG  83  -9.348 -11.268   2.025
  653    HE   ARG  83           HE       ARG  83  -8.983 -11.965  -0.672
  654   HH11  ARG  83          HH11      ARG  83  -8.575 -13.207   2.622
  655   HH12  ARG  83          HH12      ARG  83  -8.336 -14.798   2.177
  656   HH21  ARG  83          HH22      ARG  83  -8.684 -14.096  -1.354
  657   HH22  ARG  83          HH21      ARG  83  -8.379 -15.362  -0.224
  658    H    THR  84           H        THR  84  -8.997  -9.926   4.104
  659    HA   THR  84           HA       THR  84 -11.049 -11.861   3.841
  660    HB   THR  84           HB       THR  84  -9.178 -11.297   6.030
  661    HG1  THR  84           HG1      THR  84  -7.859 -11.878   4.554
  662   HG21  THR  84          HG21      THR  84 -11.098 -13.402   5.579
  663   HG22  THR  84          HG22      THR  84 -10.544 -12.601   7.048
  664   HG23  THR  84          HG23      THR  84  -9.510 -13.874   6.296
  665    H    ARG  85           H        ARG  85 -10.446 -10.169   6.557
  666    HA   ARG  85           HA       ARG  85 -12.678 -10.538   8.016
  667    HB2  ARG  85           HB3      ARG  85 -12.412  -8.660   9.588
  668    HB3  ARG  85           HB2      ARG  85 -10.873  -9.419   9.221
  669    HG2  ARG  85           HG3      ARG  85 -10.213  -7.500   7.876
  670    HG3  ARG  85           HG2      ARG  85 -11.804  -6.787   8.012
  671    HD2  ARG  85           HD3      ARG  85 -10.448  -5.739   9.598
  672    HD3  ARG  85           HD2      ARG  85 -11.608  -6.855  10.390
  673    HE   ARG  85           HE       ARG  85  -9.054  -8.078  10.077
  674   HH11  ARG  85          HH11      ARG  85 -10.824  -5.840  12.163
  675   HH12  ARG  85          HH12      ARG  85  -9.709  -6.001  13.467
  676   HH21  ARG  85          HH22      ARG  85  -7.608  -8.175  11.703
  677   HH22  ARG  85          HH21      ARG  85  -7.836  -7.370  13.234
  678    H    VAL  86           H        VAL  86 -12.278  -7.918   6.171
  679    HA   VAL  86           HA       VAL  86 -14.923  -6.846   6.352
  680    HB   VAL  86           HB       VAL  86 -12.879  -6.354   4.213
  681   HG11  VAL  86          HG11      VAL  86 -14.645  -5.316   3.102
  682   HG12  VAL  86          HG12      VAL  86 -14.516  -4.075   4.348
  683   HG13  VAL  86          HG13      VAL  86 -15.668  -5.402   4.536
  684   HG21  VAL  86          HG21      VAL  86 -12.916  -4.098   5.651
  685   HG22  VAL  86          HG22      VAL  86 -11.932  -5.504   6.050
  686   HG23  VAL  86          HG23      VAL  86 -13.475  -5.239   6.874
  687    H    LEU  87           H        LEU  87 -13.555  -9.167   4.227
  688    HA   LEU  87           HA       LEU  87 -15.630  -9.594   2.384
  689    HB2  LEU  87           HB3      LEU  87 -13.271 -10.398   2.289
  690    HB3  LEU  87           HB2      LEU  87 -13.562 -11.398   3.670
  691    HG   LEU  87           HG       LEU  87 -13.252 -12.642   1.690
  692   HD11  LEU  87          HD11      LEU  87 -14.563 -13.712   3.238
  693   HD12  LEU  87          HD12      LEU  87 -15.296 -14.046   1.671
  694   HD13  LEU  87          HD13      LEU  87 -16.040 -12.872   2.770
  695   HD21  LEU  87          HD21      LEU  87 -15.465 -10.965   0.613
  696   HD22  LEU  87          HD22      LEU  87 -15.073 -12.533  -0.112
  697   HD23  LEU  87          HD23      LEU  87 -13.852 -11.257  -0.037
  698    H    LYS  88           H        LYS  88 -14.799 -11.054   5.419
  699    HA   LYS  88           HA       LYS  88 -17.090 -12.674   5.817
  700    HB2  LYS  88           HB3      LYS  88 -15.215 -11.623   7.937
  701    HB3  LYS  88           HB2      LYS  88 -16.425 -12.852   8.225
  702    HG2  LYS  88           HG3      LYS  88 -14.068 -13.088   6.352
  703    HG3  LYS  88           HG2      LYS  88 -14.175 -13.773   7.968
  704    HD2  LYS  88           HD3      LYS  88 -16.100 -15.167   7.242
  705    HD3  LYS  88           HD2      LYS  88 -15.929 -14.505   5.622
  706    HE2  LYS  88           HE3      LYS  88 -13.671 -15.428   5.453
  707    HE3  LYS  88           HE2      LYS  88 -13.792 -16.054   7.096
  708    HZ1  LYS  88           HZ1      LYS  88 -15.318 -17.697   6.412
  709    HZ2  LYS  88           HZ2      LYS  88 -14.191 -17.650   5.179
  710    HZ3  LYS  88           HZ3      LYS  88 -15.688 -16.918   4.971
  711    H    ILE  89           H        ILE  89 -16.556  -9.324   6.647
  712    HA   ILE  89           HA       ILE  89 -18.811  -9.038   8.335
  713    HB   ILE  89           HB       ILE  89 -16.894  -7.243   6.945
  714   HG12  ILE  89          HG13      ILE  89 -17.358  -7.724   9.901
  715   HG13  ILE  89          HG12      ILE  89 -16.025  -8.332   8.935
  716   HG21  ILE  89          HG21      ILE  89 -18.813  -6.073   6.767
  717   HG22  ILE  89          HG22      ILE  89 -17.895  -5.286   8.063
  718   HG23  ILE  89          HG23      ILE  89 -19.305  -6.324   8.446
  719   HD11  ILE  89          HD11      ILE  89 -15.463  -6.408  10.391
  720   HD12  ILE  89          HD12      ILE  89 -16.578  -5.428   9.450
  721   HD13  ILE  89          HD13      ILE  89 -15.132  -6.103   8.684
  722    H    SER  90           H        SER  90 -18.029  -8.354   4.968
  723    HA   SER  90           HA       SER  90 -20.658  -7.272   4.462
  724    HB2  SER  90           HB3      SER  90 -18.332  -7.878   2.647
  725    HB3  SER  90           HB2      SER  90 -19.790  -6.920   2.211
  726    HG   SER  90           HG       SER  90 -17.676  -6.357   3.980
  Start of MODEL    2
    1    H1   MET   1           H1       MET   1 -15.549   1.096   0.697
    2    H2   MET   1           H2       MET   1 -16.330   2.509   1.160
    3    H3   MET   1           H3       MET   1 -15.709   1.485   2.329
    4    HA   MET   1           HA       MET   1 -13.590   2.025   0.680
    5    HB2  MET   1           HB3      MET   1 -15.108   4.596   1.228
    6    HB3  MET   1           HB2      MET   1 -13.454   4.528   0.698
    7    HG2  MET   1           HG3      MET   1 -14.181   3.460  -1.399
    8    HG3  MET   1           HG2      MET   1 -15.846   3.577  -0.846
    9    HE1  MET   1           HE1      MET   1 -12.958   6.754  -2.242
   10    HE2  MET   1           HE2      MET   1 -12.640   5.471  -1.084
   11    HE3  MET   1           HE3      MET   1 -13.212   7.031  -0.519
   12    H    ALA   2           H        ALA   2 -15.285   2.935   3.472
   13    HA   ALA   2           HA       ALA   2 -13.081   4.204   4.782
   14    HB1  ALA   2           HB1      ALA   2 -14.484   4.829   6.392
   15    HB2  ALA   2           HB2      ALA   2 -14.817   3.150   6.856
   16    HB3  ALA   2           HB3      ALA   2 -15.748   3.917   5.557
   17    H    GLU   3           H        GLU   3 -14.182   0.967   5.678
   18    HA   GLU   3           HA       GLU   3 -12.248   0.250   7.299
   19    HB2  GLU   3           HB3      GLU   3 -13.145  -1.508   5.000
   20    HB3  GLU   3           HB2      GLU   3 -12.263  -2.093   6.403
   21    HG2  GLU   3           HG3      GLU   3 -14.850  -0.668   6.601
   22    HG3  GLU   3           HG2      GLU   3 -14.781  -2.431   6.400
   23    H    TYR   4           H        TYR   4 -12.097   0.167   4.114
   24    HA   TYR   4           HA       TYR   4  -9.403  -0.614   3.485
   25    HB2  TYR   4           HB3      TYR   4 -11.070  -0.438   1.639
   26    HB3  TYR   4           HB2      TYR   4 -10.827   1.328   1.607
   27    HD1  TYR   4           HD1      TYR   4  -8.619  -1.647   1.812
   28    HD2  TYR   4           HD2      TYR   4  -9.553   1.908  -0.385
   29    HE1  TYR   4           HE1      TYR   4  -6.739  -2.064   0.329
   30    HE2  TYR   4           HE2      TYR   4  -7.657   1.474  -1.824
   31    HH   TYR   4           HH       TYR   4  -6.355  -0.614  -2.563
   32    H    GLY   5           H        GLY   5 -10.851   2.411   3.754
   33    HA2  GLY   5           HA3      GLY   5  -8.744   4.283   3.541
   34    HA3  GLY   5           HA2      GLY   5 -10.148   4.602   4.565
   35    H    THR   6           H        THR   6  -9.867   2.702   6.598
   36    HA   THR   6           HA       THR   6  -7.784   3.726   8.170
   37    HB   THR   6           HB       THR   6  -9.365   1.193   8.465
   38    HG1  THR   6           HG1      THR   6  -9.993   3.739   9.581
   39   HG21  THR   6          HG21      THR   6  -9.060   2.198  10.917
   40   HG22  THR   6          HG22      THR   6  -7.607   2.814  10.116
   41   HG23  THR   6          HG23      THR   6  -7.927   1.072  10.124
   42    H    LEU   7           H        LEU   7  -8.298   0.782   6.511
   43    HA   LEU   7           HA       LEU   7  -6.050  -0.779   7.056
   44    HB2  LEU   7           HB3      LEU   7  -7.646  -1.587   5.446
   45    HB3  LEU   7           HB2      LEU   7  -7.142  -0.365   4.290
   46    HG   LEU   7           HG       LEU   7  -4.923  -1.447   4.227
   47   HD11  LEU   7          HD11      LEU   7  -5.020  -3.911   4.982
   48   HD12  LEU   7          HD12      LEU   7  -6.240  -3.309   6.094
   49   HD13  LEU   7          HD13      LEU   7  -4.614  -2.635   6.130
   50   HD21  LEU   7          HD21      LEU   7  -5.542  -2.942   2.571
   51   HD22  LEU   7          HD22      LEU   7  -6.954  -1.893   2.700
   52   HD23  LEU   7          HD23      LEU   7  -6.967  -3.473   3.468
   53    H    LEU   8           H        LEU   8  -6.119   1.347   4.511
   54    HA   LEU   8           HA       LEU   8  -3.325   1.503   3.799
   55    HB2  LEU   8           HB3      LEU   8  -5.302   3.776   3.404
   56    HB3  LEU   8           HB2      LEU   8  -3.605   3.830   2.935
   57    HG   LEU   8           HG       LEU   8  -3.904   2.196   1.227
   58   HD11  LEU   8          HD11      LEU   8  -6.819   1.939   1.637
   59   HD12  LEU   8          HD12      LEU   8  -5.749   1.044   2.703
   60   HD13  LEU   8          HD13      LEU   8  -5.658   0.804   0.951
   61   HD21  LEU   8          HD21      LEU   8  -6.072   4.287   1.225
   62   HD22  LEU   8          HD22      LEU   8  -5.707   3.259  -0.160
   63   HD23  LEU   8          HD23      LEU   8  -4.471   4.333   0.468
   64    H    GLN   9           H        GLN   9  -5.151   3.241   6.087
   65    HA   GLN   9           HA       GLN   9  -3.114   4.922   7.008
   66    HB2  GLN   9           HB3      GLN   9  -5.188   5.856   7.031
   67    HB3  GLN   9           HB2      GLN   9  -5.914   4.357   7.596
   68    HG2  GLN   9           HG3      GLN   9  -5.513   4.672   9.577
   69    HG3  GLN   9           HG2      GLN   9  -4.097   5.753   9.458
   70   HE21  GLN   9          HE22      GLN   9  -4.527   7.835   9.616
   71   HE22  GLN   9          HE21      GLN   9  -6.084   8.581   9.713
   72    H    ASP  10           H        ASP  10  -4.028   2.033   7.837
   73    HA   ASP  10           HA       ASP  10  -2.619   2.014  10.335
   74    HB2  ASP  10           HB3      ASP  10  -4.484  -0.202   9.725
   75    HB3  ASP  10           HB2      ASP  10  -3.033  -0.566  10.656
   76    H    LEU  11           H        LEU  11  -1.978   0.838   7.223
   77    HA   LEU  11           HA       LEU  11   0.367  -0.285   8.253
   78    HB2  LEU  11           HB3      LEU  11   0.937  -0.780   5.971
   79    HB3  LEU  11           HB2      LEU  11  -0.623  -1.462   6.413
   80    HG   LEU  11           HG       LEU  11  -1.507   0.644   5.187
   81   HD11  LEU  11          HD11      LEU  11   1.174   1.065   5.055
   82   HD12  LEU  11          HD12      LEU  11  -0.062   1.917   4.132
   83   HD13  LEU  11          HD13      LEU  11   0.782   0.519   3.431
   84   HD21  LEU  11          HD21      LEU  11  -1.460  -1.924   4.539
   85   HD22  LEU  11          HD22      LEU  11  -0.282  -1.361   3.357
   86   HD23  LEU  11          HD23      LEU  11  -1.899  -0.697   3.338
   87    H    THR  12           H        THR  12  -0.825   2.521   7.048
   88    HA   THR  12           HA       THR  12   1.506   4.097   6.598
   89    HB   THR  12           HB       THR  12  -1.365   4.744   7.071
   90    HG1  THR  12           HG1      THR  12  -1.061   4.080   5.098
   91   HG21  THR  12          HG21      THR  12  -0.980   6.785   7.536
   92   HG22  THR  12          HG22      THR  12  -0.197   6.905   5.946
   93   HG23  THR  12          HG23      THR  12   0.799   6.509   7.426
   94    H    ASN  13           H        ASN  13  -0.413   3.436   9.473
   95    HA   ASN  13           HA       ASN  13   0.968   5.196  11.264
   96    HB2  ASN  13           HB3      ASN  13  -0.560   2.643  11.977
   97    HB3  ASN  13           HB2      ASN  13   0.089   3.765  13.148
   98   HD21  ASN  13          HD22      ASN  13  -2.743   2.841  11.995
   99   HD22  ASN  13          HD21      ASN  13  -3.579   4.323  11.961
  100    H    ASN  14           H        ASN  14   1.596   2.104  10.052
  101    HA   ASN  14           HA       ASN  14   3.881   1.694  11.809
  102    HB2  ASN  14           HB3      ASN  14   2.648  -0.122   9.714
  103    HB3  ASN  14           HB2      ASN  14   4.069  -0.520  10.658
  104   HD21  ASN  14          HD22      ASN  14   0.738  -0.723  10.571
  105   HD22  ASN  14          HD21      ASN  14   0.471  -1.132  12.224
  106    H    ILE  15           H        ILE  15   3.240   3.018   8.780
  107    HA   ILE  15           HA       ILE  15   5.618   2.293   7.455
  108    HB   ILE  15           HB       ILE  15   3.266   3.968   6.878
  109   HG12  ILE  15          HG13      ILE  15   3.484   1.620   6.157
  110   HG13  ILE  15          HG12      ILE  15   3.163   2.734   4.814
  111   HG21  ILE  15          HG21      ILE  15   5.271   4.340   4.790
  112   HG22  ILE  15          HG22      ILE  15   5.469   5.324   6.248
  113   HG23  ILE  15          HG23      ILE  15   3.941   5.360   5.330
  114   HD11  ILE  15          HD11      ILE  15   5.942   2.603   5.026
  115   HD12  ILE  15          HD12      ILE  15   4.941   1.909   3.780
  116   HD13  ILE  15          HD13      ILE  15   5.420   0.933   5.189
  117    H    THR  16           H        THR  16   7.548   3.035   7.943
  118    HA   THR  16           HA       THR  16   8.013   5.708   8.909
  119    HB   THR  16           HB       THR  16  10.274   5.026   9.247
  120    HG1  THR  16           HG1      THR  16   9.973   2.361   8.450
  121   HG21  THR  16          HG21      THR  16   8.576   2.733   9.902
  122   HG22  THR  16          HG22      THR  16   8.546   4.274  10.787
  123   HG23  THR  16          HG23      THR  16  10.058   3.287  10.777
  124    H    LEU  17           H        LEU  17   9.498   6.762   7.888
  125    HA   LEU  17           HA       LEU  17   9.453   7.162   5.070
  126    HB2  LEU  17           HB3      LEU  17  11.677   7.871   6.908
  127    HB3  LEU  17           HB2      LEU  17  11.808   8.130   5.184
  128    HG   LEU  17           HG       LEU  17  11.194  10.094   6.129
  129   HD11  LEU  17          HD11      LEU  17   8.740   8.991   4.862
  130   HD12  LEU  17          HD12      LEU  17  10.193   9.528   4.034
  131   HD13  LEU  17          HD13      LEU  17   9.222  10.690   4.932
  132   HD21  LEU  17          HD21      LEU  17   9.151  10.518   7.466
  133   HD22  LEU  17          HD22      LEU  17  10.258   9.420   8.286
  134   HD23  LEU  17          HD23      LEU  17   8.822   8.780   7.484
  135    H    GLU  18           H        GLU  18  11.761   5.352   6.966
  136    HA   GLU  18           HA       GLU  18  13.365   4.299   5.005
  137    HB2  GLU  18           HB3      GLU  18  12.472   2.965   7.577
  138    HB3  GLU  18           HB2      GLU  18  13.873   2.496   6.626
  139    HG2  GLU  18           HG3      GLU  18  13.560   5.235   7.715
  140    HG3  GLU  18           HG2      GLU  18  14.250   3.934   8.713
  141    H    ASP  19           H        ASP  19  10.662   2.920   6.509
  142    HA   ASP  19           HA       ASP  19  10.259   0.481   5.127
  143    HB2  ASP  19           HB3      ASP  19   8.134   2.311   6.244
  144    HB3  ASP  19           HB2      ASP  19   7.711   0.714   5.593
  145    H    LEU  20           H        LEU  20   8.594   3.441   4.453
  146    HA   LEU  20           HA       LEU  20   7.685   2.808   2.021
  147    HB2  LEU  20           HB3      LEU  20   8.491   5.397   3.052
  148    HB3  LEU  20           HB2      LEU  20   8.032   5.298   1.366
  149    HG   LEU  20           HG       LEU  20   6.262   4.513   3.702
  150   HD11  LEU  20          HD11      LEU  20   4.959   6.429   2.391
  151   HD12  LEU  20          HD12      LEU  20   6.607   6.913   2.005
  152   HD13  LEU  20          HD13      LEU  20   6.097   6.778   3.687
  153   HD21  LEU  20          HD21      LEU  20   4.840   4.703   1.256
  154   HD22  LEU  20          HD22      LEU  20   5.129   3.237   2.219
  155   HD23  LEU  20          HD23      LEU  20   6.266   3.687   0.983
  156    H    GLU  21           H        GLU  21  10.846   4.113   2.641
  157    HA   GLU  21           HA       GLU  21  11.605   4.314  -0.042
  158    HB2  GLU  21           HB3      GLU  21  13.333   3.736   2.392
  159    HB3  GLU  21           HB2      GLU  21  13.975   4.089   0.803
  160    HG2  GLU  21           HG3      GLU  21  12.956   6.315   0.898
  161    HG3  GLU  21           HG2      GLU  21  12.339   5.977   2.512
  162    H    GLN  22           H        GLN  22  11.587   1.743   2.090
  163    HA   GLN  22           HA       GLN  22  12.871  -0.043   0.246
  164    HB2  GLN  22           HB3      GLN  22  12.853  -0.474   2.728
  165    HB3  GLN  22           HB2      GLN  22  11.204  -1.098   2.502
  166    HG2  GLN  22           HG3      GLN  22  12.087  -2.765   0.938
  167    HG3  GLN  22           HG2      GLN  22  13.693  -2.134   1.155
  168   HE21  GLN  22          HE22      GLN  22  12.424  -4.767   1.728
  169   HE22  GLN  22          HE21      GLN  22  12.921  -5.068   3.395
  170    H    LEU  23           H        LEU  23   9.338   0.442   1.010
  171    HA   LEU  23           HA       LEU  23   8.368  -1.441  -0.697
  172    HB2  LEU  23           HB3      LEU  23   7.301   1.334  -0.045
  173    HB3  LEU  23           HB2      LEU  23   6.386   0.050  -0.774
  174    HG   LEU  23           HG       LEU  23   7.482   0.135   2.016
  175   HD11  LEU  23          HD11      LEU  23   5.692   1.688   1.728
  176   HD12  LEU  23          HD12      LEU  23   5.065   0.276   2.578
  177   HD13  LEU  23          HD13      LEU  23   4.738   0.492   0.855
  178   HD21  LEU  23          HD21      LEU  23   6.416  -1.861   2.456
  179   HD22  LEU  23          HD22      LEU  23   7.200  -2.129   0.897
  180   HD23  LEU  23          HD23      LEU  23   5.462  -1.789   0.971
  181    H    LYS  24           H        LYS  24   9.241   1.670  -1.116
  182    HA   LYS  24           HA       LYS  24   8.558   2.099  -3.906
  183    HB2  LYS  24           HB3      LYS  24  10.746   3.651  -2.464
  184    HB3  LYS  24           HB2      LYS  24   9.970   4.111  -3.979
  185    HG2  LYS  24           HG3      LYS  24   7.821   4.261  -2.841
  186    HG3  LYS  24           HG2      LYS  24   8.581   3.792  -1.339
  187    HD2  LYS  24           HD3      LYS  24   9.003   6.363  -2.873
  188    HD3  LYS  24           HD2      LYS  24   8.125   6.168  -1.369
  189    HE2  LYS  24           HE3      LYS  24  10.199   7.127  -0.746
  190    HE3  LYS  24           HE2      LYS  24  10.340   5.417  -0.353
  191    HZ1  LYS  24           HZ1      LYS  24  11.254   5.739  -2.960
  192    HZ2  LYS  24           HZ2      LYS  24  12.206   5.410  -1.579
  193    HZ3  LYS  24           HZ3      LYS  24  11.889   6.997  -2.100
  194    H    SER  25           H        SER  25  11.230   1.336  -2.533
  195    HA   SER  25           HA       SER  25  13.093   0.793  -4.671
  196    HB2  SER  25           HB3      SER  25  13.236  -0.816  -2.090
  197    HB3  SER  25           HB2      SER  25  14.506  -0.779  -3.321
  198    HG   SER  25           HG       SER  25  13.543   1.371  -1.742
  199    H    ALA  26           H        ALA  26  11.037  -1.291  -3.075
  200    HA   ALA  26           HA       ALA  26  11.132  -3.517  -4.900
  201    HB1  ALA  26           HB1      ALA  26   9.622  -2.868  -2.565
  202    HB2  ALA  26           HB2      ALA  26   9.777  -4.440  -3.347
  203    HB3  ALA  26           HB3      ALA  26   8.485  -3.322  -3.824
  204    H    CYS  27           H        CYS  27   8.860  -0.738  -4.655
  205    HA   CYS  27           HA       CYS  27   7.450  -1.363  -6.989
  206    HB2  CYS  27           HB3      CYS  27   7.665   1.303  -5.662
  207    HB3  CYS  27           HB2      CYS  27   6.460   0.674  -6.779
  208    HG   CYS  27           HG       CYS  27   6.960  -0.728  -3.741
  209    H    LYS  28           H        LYS  28  10.520  -0.209  -6.897
  210    HA   LYS  28           HA       LYS  28  10.626   2.179  -8.124
  211    HB2  LYS  28           HB3      LYS  28  12.912   1.687  -8.818
  212    HB3  LYS  28           HB2      LYS  28  12.574   0.882  -7.277
  213    HG2  LYS  28           HG3      LYS  28  12.237  -1.213  -8.409
  214    HG3  LYS  28           HG2      LYS  28  12.514  -0.440  -9.967
  215    HD2  LYS  28           HD3      LYS  28  14.825   0.127  -9.188
  216    HD3  LYS  28           HD2      LYS  28  14.498  -0.800  -7.718
  217    HE2  LYS  28           HE3      LYS  28  14.456  -1.890 -10.544
  218    HE3  LYS  28           HE2      LYS  28  15.734  -2.150  -9.362
  219    HZ1  LYS  28           HZ1      LYS  28  13.323  -2.940  -8.205
  220    HZ2  LYS  28           HZ2      LYS  28  14.642  -3.893  -8.672
  221    HZ3  LYS  28           HZ3      LYS  28  13.389  -3.615  -9.781
  222    H    GLU  29           H        GLU  29  10.129  -0.844  -9.682
  223    HA   GLU  29           HA       GLU  29  10.423   0.060 -12.328
  224    HB2  GLU  29           HB3      GLU  29   9.115  -2.441 -11.262
  225    HB3  GLU  29           HB2      GLU  29   9.693  -2.184 -12.912
  226    HG2  GLU  29           HG3      GLU  29  11.962  -1.890 -12.113
  227    HG3  GLU  29           HG2      GLU  29  11.415  -2.040 -10.462
  228    H    ASP  30           H        ASP  30   7.668  -0.412 -10.186
  229    HA   ASP  30           HA       ASP  30   5.852   0.314 -12.305
  230    HB2  ASP  30           HB3      ASP  30   5.356  -0.663  -9.536
  231    HB3  ASP  30           HB2      ASP  30   4.058  -0.031 -10.551
  232    H    ILE  31           H        ILE  31   6.795   1.763  -9.194
  233    HA   ILE  31           HA       ILE  31   5.088   3.975  -9.958
  234    HB   ILE  31           HB       ILE  31   4.983   2.890  -7.618
  235   HG12  ILE  31          HG13      ILE  31   4.102   5.180  -7.969
  236   HG13  ILE  31          HG12      ILE  31   4.667   4.903  -6.324
  237   HG21  ILE  31          HG21      ILE  31   7.467   2.722  -7.447
  238   HG22  ILE  31          HG22      ILE  31   6.536   3.208  -6.009
  239   HG23  ILE  31          HG23      ILE  31   7.415   4.432  -6.960
  240   HD11  ILE  31          HD11      ILE  31   6.161   6.494  -6.461
  241   HD12  ILE  31          HD12      ILE  31   5.240   7.101  -7.845
  242   HD13  ILE  31          HD13      ILE  31   6.625   6.031  -8.130
  243    HA   PRO  32           HA       PRO  32   8.461   5.769 -11.749
  244    HB2  PRO  32           HB2      PRO  32   7.288   8.419 -11.080
  245    HB3  PRO  32           HB3      PRO  32   7.800   7.787 -12.646
  246    HG2  PRO  32           HG3      PRO  32   5.211   7.900 -12.011
  247    HG3  PRO  32           HG2      PRO  32   5.862   6.543 -12.935
  248    HD2  PRO  32           HD3      PRO  32   5.180   6.709 -10.046
  249    HD3  PRO  32           HD2      PRO  32   4.919   5.340 -11.160
  250    H    SER  33           H        SER  33  10.248   6.306 -11.213
  251    HA   SER  33           HA       SER  33  11.402   6.436  -8.637
  252    HB2  SER  33           HB3      SER  33  12.850   5.962 -10.590
  253    HB3  SER  33           HB2      SER  33  12.758   7.644 -11.101
  254    HG   SER  33           HG       SER  33  13.630   7.387  -8.515
  255    H    GLU  34           H        GLU  34  10.900   8.996 -10.723
  256    HA   GLU  34           HA       GLU  34  11.367  11.394  -9.360
  257    HB2  GLU  34           HB3      GLU  34  10.514  11.395 -11.653
  258    HB3  GLU  34           HB2      GLU  34   8.954  10.821 -11.088
  259    HG2  GLU  34           HG3      GLU  34   8.710  12.955  -9.825
  260    HG3  GLU  34           HG2      GLU  34  10.188  13.520 -10.607
  261    H    LYS  35           H        LYS  35   8.526   9.613  -9.304
  262    HA   LYS  35           HA       LYS  35   7.272  11.177  -7.273
  263    HB2  LYS  35           HB3      LYS  35   6.266   8.672  -8.672
  264    HB3  LYS  35           HB2      LYS  35   5.285   9.653  -7.559
  265    HG2  LYS  35           HG3      LYS  35   6.706  10.787  -9.960
  266    HG3  LYS  35           HG2      LYS  35   5.019  10.242  -9.983
  267    HD2  LYS  35           HD3      LYS  35   4.299  11.829  -8.610
  268    HD3  LYS  35           HD2      LYS  35   5.827  12.016  -7.784
  269    HE2  LYS  35           HE3      LYS  35   5.234  14.028  -9.130
  270    HE3  LYS  35           HE2      LYS  35   6.755  13.313  -9.616
  271    HZ1  LYS  35           HZ1      LYS  35   5.132  14.096 -11.366
  272    HZ2  LYS  35           HZ2      LYS  35   4.271  12.664 -11.085
  273    HZ3  LYS  35           HZ3      LYS  35   5.929  12.671 -11.593
  274    H    SER  36           H        SER  36   8.489   7.875  -7.170
  275    HA   SER  36           HA       SER  36   8.255   7.189  -4.552
  276    HB2  SER  36           HB3      SER  36   9.319   5.780  -6.065
  277    HB3  SER  36           HB2      SER  36  10.551   6.969  -6.499
  278    HG   SER  36           HG       SER  36  11.669   6.384  -4.897
  279    H    GLU  37           H        GLU  37  10.106   9.479  -5.826
  280    HA   GLU  37           HA       GLU  37  11.730   9.849  -3.555
  281    HB2  GLU  37           HB3      GLU  37  11.665  11.781  -5.786
  282    HB3  GLU  37           HB2      GLU  37  12.764  11.923  -4.411
  283    HG2  GLU  37           HG3      GLU  37  12.571   9.619  -6.320
  284    HG3  GLU  37           HG2      GLU  37  13.953  10.730  -6.132
  285    H    GLU  38           H        GLU  38   8.884  11.970  -4.446
  286    HA   GLU  38           HA       GLU  38   9.222  13.279  -2.034
  287    HB2  GLU  38           HB3      GLU  38   7.130  14.263  -2.741
  288    HB3  GLU  38           HB2      GLU  38   8.339  14.325  -4.037
  289    HG2  GLU  38           HG3      GLU  38   7.259  12.493  -5.138
  290    HG3  GLU  38           HG2      GLU  38   6.113  12.287  -3.840
  291    H    ILE  39           H        ILE  39   8.528  10.212  -2.240
  292    HA   ILE  39           HA       ILE  39   5.963  10.276  -0.954
  293    HB   ILE  39           HB       ILE  39   7.624   7.905  -1.867
  294   HG12  ILE  39          HG13      ILE  39   4.891   8.907  -2.727
  295   HG13  ILE  39          HG12      ILE  39   6.400   9.330  -3.541
  296   HG21  ILE  39          HG21      ILE  39   5.014   7.909  -0.335
  297   HG22  ILE  39          HG22      ILE  39   6.519   7.073   0.064
  298   HG23  ILE  39          HG23      ILE  39   5.601   6.575  -1.349
  299   HD11  ILE  39          HD11      ILE  39   6.501   7.362  -4.511
  300   HD12  ILE  39          HD12      ILE  39   4.760   7.473  -4.257
  301   HD13  ILE  39          HD13      ILE  39   5.733   6.484  -3.153
  302    H    THR  40           H        THR  40   6.979  11.642   0.552
  303    HA   THR  40           HA       THR  40   8.423  10.456   2.748
  304    HB   THR  40           HB       THR  40   9.089  12.640   2.069
  305    HG1  THR  40           HG1      THR  40   8.067  12.292   4.553
  306   HG21  THR  40          HG21      THR  40   7.566  13.837   1.001
  307   HG22  THR  40          HG22      THR  40   7.046  14.433   2.586
  308   HG23  THR  40          HG23      THR  40   6.238  13.049   1.826
  309    H    THR  41           H        THR  41   5.507   9.909   2.177
  310    HA   THR  41           HA       THR  41   4.892   9.327   4.807
  311    HB   THR  41           HB       THR  41   4.122  11.483   5.088
  312    HG1  THR  41           HG1      THR  41   2.178  11.050   5.967
  313   HG21  THR  41          HG21      THR  41   1.877  12.102   3.723
  314   HG22  THR  41          HG22      THR  41   2.775  11.181   2.505
  315   HG23  THR  41          HG23      THR  41   3.505  12.593   3.233
  316    H    GLY  42           H        GLY  42   3.272   7.975   5.123
  317    HA2  GLY  42           HA3      GLY  42   3.167   6.036   3.049
  318    HA3  GLY  42           HA2      GLY  42   2.164   5.903   4.492
  319    H    SER  43           H        SER  43   0.411   8.086   4.334
  320    HA   SER  43           HA       SER  43  -1.449   7.455   2.553
  321    HB2  SER  43           HB3      SER  43  -0.701  10.081   3.825
  322    HB3  SER  43           HB2      SER  43  -2.285   9.727   3.114
  323    HG   SER  43           HG       SER  43  -2.791   8.676   4.834
  324    H    ALA  44           H        ALA  44   1.169   9.643   2.214
  325    HA   ALA  44           HA       ALA  44   0.539  11.003  -0.197
  326    HB1  ALA  44           HB1      ALA  44   3.007  10.674   1.242
  327    HB2  ALA  44           HB2      ALA  44   2.551  11.949   0.133
  328    HB3  ALA  44           HB3      ALA  44   3.315  10.486  -0.474
  329    H    TRP  45           H        TRP  45   2.322   7.975   0.102
  330    HA   TRP  45           HA       TRP  45   2.430   7.476  -2.661
  331    HB2  TRP  45           HB3      TRP  45   3.814   6.338  -0.910
  332    HB3  TRP  45           HB2      TRP  45   2.380   5.501  -0.376
  333    HD1  TRP  45           HD1      TRP  45   3.706   5.887  -4.034
  334    HE1  TRP  45           HE1      TRP  45   3.835   3.445  -4.973
  335    HE3  TRP  45           HE3      TRP  45   2.378   3.227   0.119
  336    HZ2  TRP  45           HZ2      TRP  45   3.546   0.918  -4.133
  337    HZ3  TRP  45           HZ3      TRP  45   2.352   0.774  -0.035
  338    HH2  TRP  45           HH2      TRP  45   2.920  -0.339  -2.149
  339    H    PHE  46           H        PHE  46   0.116   6.339  -0.279
  340    HA   PHE  46           HA       PHE  46  -1.398   4.958  -2.164
  341    HB2  PHE  46           HB3      PHE  46  -2.463   6.410   0.268
  342    HB3  PHE  46           HB2      PHE  46  -3.378   5.292  -0.736
  343    HD1  PHE  46           HD1      PHE  46  -2.137   3.054  -1.183
  344    HD2  PHE  46           HD2      PHE  46  -1.503   5.544   2.233
  345    HE1  PHE  46           HE1      PHE  46  -1.412   1.117   0.092
  346    HE2  PHE  46           HE2      PHE  46  -0.824   3.584   3.506
  347    HZ   PHE  46           HZ       PHE  46  -0.750   1.367   2.390
  348    H    SER  47           H        SER  47  -1.723   8.053  -1.073
  349    HA   SER  47           HA       SER  47  -3.767   9.041  -2.811
  350    HB2  SER  47           HB3      SER  47  -1.636  10.744  -1.512
  351    HB3  SER  47           HB2      SER  47  -3.123  11.364  -2.234
  352    HG   SER  47           HG       SER  47  -3.974   9.545  -0.655
  353    H    PHE  48           H        PHE  48  -0.343   8.870  -3.511
  354    HA   PHE  48           HA       PHE  48  -0.557  10.239  -6.035
  355    HB2  PHE  48           HB3      PHE  48   1.605   9.953  -4.992
  356    HB3  PHE  48           HB2      PHE  48   1.378   8.220  -4.902
  357    HD1  PHE  48           HD1      PHE  48   1.422  10.969  -7.459
  358    HD2  PHE  48           HD2      PHE  48   2.232   6.945  -6.427
  359    HE1  PHE  48           HE1      PHE  48   2.375  10.603  -9.686
  360    HE2  PHE  48           HE2      PHE  48   3.218   6.569  -8.653
  361    HZ   PHE  48           HZ       PHE  48   3.294   8.414 -10.293
  362    H    LEU  49           H        LEU  49  -0.327   6.779  -4.967
  363    HA   LEU  49           HA       LEU  49  -0.580   5.464  -7.245
  364    HB2  LEU  49           HB3      LEU  49  -0.081   5.000  -4.861
  365    HB3  LEU  49           HB2      LEU  49  -1.801   4.711  -4.618
  366    HG   LEU  49           HG       LEU  49  -1.504   2.589  -6.162
  367   HD11  LEU  49          HD11      LEU  49   0.321   3.722  -7.437
  368   HD12  LEU  49          HD12      LEU  49   0.633   2.063  -6.885
  369   HD13  LEU  49          HD13      LEU  49   1.347   3.433  -6.032
  370   HD21  LEU  49          HD21      LEU  49  -1.088   2.727  -3.593
  371   HD22  LEU  49          HD22      LEU  49   0.601   2.703  -4.047
  372   HD23  LEU  49          HD23      LEU  49  -0.427   1.360  -4.517
  373    H    GLU  50           H        GLU  50  -3.092   6.086  -4.973
  374    HA   GLU  50           HA       GLU  50  -5.556   5.469  -6.209
  375    HB2  GLU  50           HB3      GLU  50  -5.311   8.018  -4.567
  376    HB3  GLU  50           HB2      GLU  50  -6.802   7.254  -5.011
  377    HG2  GLU  50           HG3      GLU  50  -6.254   5.335  -3.615
  378    HG3  GLU  50           HG2      GLU  50  -4.727   6.106  -3.162
  379    H    SER  51           H        SER  51  -4.044   8.229  -6.333
  380    HA   SER  51           HA       SER  51  -5.640   9.786  -8.174
  381    HB2  SER  51           HB3      SER  51  -2.643  10.274  -7.896
  382    HB3  SER  51           HB2      SER  51  -3.759  11.324  -8.767
  383    HG   SER  51           HG       SER  51  -3.648  10.734  -6.018
  384    H    HIS  52           H        HIS  52  -3.241   7.377  -8.851
  385    HA   HIS  52           HA       HIS  52  -3.866   7.581 -11.710
  386    HB2  HIS  52           HB3      HIS  52  -1.500   6.338 -10.361
  387    HB3  HIS  52           HB2      HIS  52  -1.751   6.123 -12.120
  388    HD1  HIS  52           HD1      HIS  52   0.375   7.449 -12.920
  389    HD2  HIS  52           HD2      HIS  52  -1.772   9.233  -9.888
  390    HE1  HIS  52           HE1      HIS  52   1.582   9.568 -12.485
  391    H    ASN  53           H        ASN  53  -3.585   5.182 -12.707
  392    HA   ASN  53           HA       ASN  53  -5.645   3.748 -11.326
  393    HB2  ASN  53           HB3      ASN  53  -5.747   2.386 -13.440
  394    HB3  ASN  53           HB2      ASN  53  -6.139   4.093 -13.635
  395   HD21  ASN  53          HD22      ASN  53  -4.742   1.656 -15.177
  396   HD22  ASN  53          HD21      ASN  53  -3.477   2.515 -16.009
  397    H    LYS  54           H        LYS  54  -3.321   3.540  -9.887
  398    HA   LYS  54           HA       LYS  54  -2.694   0.741 -10.361
  399    HB2  LYS  54           HB3      LYS  54  -0.973   2.556  -8.616
  400    HB3  LYS  54           HB2      LYS  54  -0.697   0.855  -8.869
  401    HG2  LYS  54           HG3      LYS  54  -0.363   3.069 -10.908
  402    HG3  LYS  54           HG2      LYS  54   0.804   1.946 -10.179
  403    HD2  LYS  54           HD3      LYS  54  -1.451   1.041 -11.866
  404    HD3  LYS  54           HD2      LYS  54   0.139   1.397 -12.541
  405    HE2  LYS  54           HE3      LYS  54   1.104  -0.295 -10.987
  406    HE3  LYS  54           HE2      LYS  54  -0.529  -0.669 -10.424
  407    HZ1  LYS  54           HZ1      LYS  54   0.514  -2.152 -12.201
  408    HZ2  LYS  54           HZ2      LYS  54   0.150  -0.926 -13.305
  409    HZ3  LYS  54           HZ3      LYS  54  -1.090  -1.644 -12.426
  410    H    LEU  55           H        LEU  55  -4.664   2.627  -8.429
  411    HA   LEU  55           HA       LEU  55  -5.312   0.301  -6.837
  412    HB2  LEU  55           HB3      LEU  55  -3.328   0.958  -5.599
  413    HB3  LEU  55           HB2      LEU  55  -3.866   2.614  -5.476
  414    HG   LEU  55           HG       LEU  55  -5.236   0.315  -4.024
  415   HD11  LEU  55          HD11      LEU  55  -2.676   1.313  -3.531
  416   HD12  LEU  55          HD12      LEU  55  -3.717   0.451  -2.376
  417   HD13  LEU  55          HD13      LEU  55  -3.709   2.198  -2.402
  418   HD21  LEU  55          HD21      LEU  55  -6.638   1.825  -3.239
  419   HD22  LEU  55          HD22      LEU  55  -5.960   2.994  -4.361
  420   HD23  LEU  55          HD23      LEU  55  -5.306   2.883  -2.720
  421    H    ASP  56           H        ASP  56  -7.284   0.268  -6.792
  422    HA   ASP  56           HA       ASP  56  -9.123   2.481  -6.531
  423    HB2  ASP  56           HB3      ASP  56  -9.723  -0.426  -6.665
  424    HB3  ASP  56           HB2      ASP  56 -10.924   0.791  -6.288
  425    H    LYS  57           H        LYS  57 -10.928   2.285  -5.214
  426    HA   LYS  57           HA       LYS  57 -10.261   2.438  -2.454
  427    HB2  LYS  57           HB3      LYS  57 -12.472   2.984  -2.020
  428    HB3  LYS  57           HB2      LYS  57 -12.248   3.650  -3.634
  429    HG2  LYS  57           HG3      LYS  57 -13.606   1.127  -2.832
  430    HG3  LYS  57           HG2      LYS  57 -14.420   2.572  -3.486
  431    HD2  LYS  57           HD3      LYS  57 -12.364   0.976  -4.809
  432    HD3  LYS  57           HD2      LYS  57 -14.075   0.522  -4.988
  433    HE2  LYS  57           HE3      LYS  57 -12.769   3.136  -5.927
  434    HE3  LYS  57           HE2      LYS  57 -13.183   1.798  -6.985
  435    HZ1  LYS  57           HZ1      LYS  57 -14.880   3.920  -6.273
  436    HZ2  LYS  57           HZ2      LYS  57 -15.516   2.515  -5.572
  437    HZ3  LYS  57           HZ3      LYS  57 -15.188   2.592  -7.201
  438    H    ASP  58           H        ASP  58 -11.003  -0.188  -4.560
  439    HA   ASP  58           HA       ASP  58 -11.533  -1.993  -2.337
  440    HB2  ASP  58           HB3      ASP  58 -12.291  -2.282  -5.241
  441    HB3  ASP  58           HB2      ASP  58 -12.397  -3.594  -4.093
  442    H    ASN  59           H        ASN  59  -9.654  -1.474  -5.128
  443    HA   ASN  59           HA       ASN  59  -8.442  -4.029  -4.894
  444    HB2  ASN  59           HB3      ASN  59  -7.998  -1.820  -6.856
  445    HB3  ASN  59           HB2      ASN  59  -7.181  -3.387  -6.944
  446   HD21  ASN  59          HD22      ASN  59  -9.896  -1.690  -7.823
  447   HD22  ASN  59          HD21      ASN  59 -10.926  -2.995  -8.197
  448    H    LEU  60           H        LEU  60  -6.843  -4.606  -4.140
  449    HA   LEU  60           HA       LEU  60  -4.907  -2.778  -2.949
  450    HB2  LEU  60           HB3      LEU  60  -4.842  -4.400  -1.031
  451    HB3  LEU  60           HB2      LEU  60  -6.292  -3.431  -1.219
  452    HG   LEU  60           HG       LEU  60  -7.382  -5.433  -2.266
  453   HD11  LEU  60          HD11      LEU  60  -4.753  -6.552  -1.839
  454   HD12  LEU  60          HD12      LEU  60  -6.009  -6.999  -2.983
  455   HD13  LEU  60          HD13      LEU  60  -6.085  -7.606  -1.331
  456   HD21  LEU  60          HD21      LEU  60  -8.079  -6.270  -0.263
  457   HD22  LEU  60          HD22      LEU  60  -7.432  -4.692   0.182
  458   HD23  LEU  60          HD23      LEU  60  -6.482  -6.159   0.476
  459    H    SER  61           H        SER  61  -5.188  -5.633  -4.624
  460    HA   SER  61           HA       SER  61  -2.907  -6.955  -3.983
  461    HB2  SER  61           HB3      SER  61  -4.175  -7.069  -6.706
  462    HB3  SER  61           HB2      SER  61  -2.929  -8.195  -6.161
  463    HG   SER  61           HG       SER  61  -4.284  -8.647  -4.357
  464    H    TYR  62           H        TYR  62  -2.898  -4.307  -5.992
  465    HA   TYR  62           HA       TYR  62  -0.226  -4.340  -7.050
  466    HB2  TYR  62           HB3      TYR  62  -1.704  -2.427  -7.653
  467    HB3  TYR  62           HB2      TYR  62  -1.680  -1.867  -5.976
  468    HD1  TYR  62           HD2      TYR  62   0.484  -2.375  -8.960
  469    HD2  TYR  62           HD1      TYR  62   0.120  -0.428  -5.180
  470    HE1  TYR  62           HE2      TYR  62   2.557  -1.085  -9.360
  471    HE2  TYR  62           HE1      TYR  62   2.216   0.663  -5.535
  472    HH   TYR  62           HH       TYR  62   4.354  -0.118  -7.929
  473    H    ILE  63           H        ILE  63  -1.498  -3.089  -4.065
  474    HA   ILE  63           HA       ILE  63   1.058  -2.415  -2.942
  475    HB   ILE  63           HB       ILE  63  -0.037  -1.376  -1.192
  476   HG12  ILE  63          HG13      ILE  63  -2.649  -2.629  -2.050
  477   HG13  ILE  63          HG12      ILE  63  -1.690  -3.209  -0.686
  478   HG21  ILE  63          HG21      ILE  63  -0.961  -1.086  -3.847
  479   HG22  ILE  63          HG22      ILE  63  -0.300   0.116  -2.706
  480   HG23  ILE  63          HG23      ILE  63  -2.007  -0.392  -2.615
  481   HD11  ILE  63          HD11      ILE  63  -2.825  -0.478  -0.994
  482   HD12  ILE  63          HD12      ILE  63  -1.756  -1.086   0.270
  483   HD13  ILE  63          HD13      ILE  63  -3.405  -1.774   0.115
  484    H    GLU  64           H        GLU  64  -1.060  -4.997  -2.891
  485    HA   GLU  64           HA       GLU  64  -0.482  -6.264  -0.347
  486    HB2  GLU  64           HB3      GLU  64  -2.430  -6.865  -1.803
  487    HB3  GLU  64           HB2      GLU  64  -1.310  -7.410  -3.034
  488    HG2  GLU  64           HG3      GLU  64  -0.555  -9.184  -1.443
  489    HG3  GLU  64           HG2      GLU  64  -1.823  -8.631  -0.346
  490    H    HIS  65           H        HIS  65   0.622  -6.924  -3.661
  491    HA   HIS  65           HA       HIS  65   2.820  -8.525  -3.205
  492    HB2  HIS  65           HB3      HIS  65   1.678  -7.799  -5.334
  493    HB3  HIS  65           HB2      HIS  65   2.341  -6.206  -5.031
  494    HD1  HIS  65           HD1      HIS  65   3.682  -9.728  -5.577
  495    HD2  HIS  65           HD2      HIS  65   4.529  -5.737  -6.267
  496    HE1  HIS  65           HE1      HIS  65   5.866  -9.765  -6.819
  497    H    ILE  66           H        ILE  66   2.906  -5.146  -3.597
  498    HA   ILE  66           HA       ILE  66   5.396  -4.653  -3.074
  499    HB   ILE  66           HB       ILE  66   3.257  -2.994  -1.817
  500   HG12  ILE  66          HG13      ILE  66   2.945  -3.465  -4.009
  501   HG13  ILE  66          HG12      ILE  66   3.232  -1.687  -4.002
  502   HG21  ILE  66          HG21      ILE  66   5.523  -2.389  -0.895
  503   HG22  ILE  66          HG22      ILE  66   4.863  -1.082  -1.826
  504   HG23  ILE  66          HG23      ILE  66   6.117  -2.093  -2.511
  505   HD11  ILE  66          HD11      ILE  66   4.869  -4.013  -4.995
  506   HD12  ILE  66          HD12      ILE  66   5.585  -2.418  -4.732
  507   HD13  ILE  66          HD13      ILE  66   4.265  -2.589  -5.901
  508    H    PHE  67           H        PHE  67   2.916  -5.048  -0.379
  509    HA   PHE  67           HA       PHE  67   4.868  -4.749   1.449
  510    HB2  PHE  67           HB3      PHE  67   2.122  -5.947   1.690
  511    HB3  PHE  67           HB2      PHE  67   3.198  -5.495   3.020
  512    HD1  PHE  67           HD2      PHE  67   4.207  -2.939   2.593
  513    HD2  PHE  67           HD1      PHE  67   0.494  -4.505   1.320
  514    HE1  PHE  67           HE2      PHE  67   3.340  -0.632   2.393
  515    HE2  PHE  67           HE1      PHE  67  -0.408  -2.220   1.119
  516    HZ   PHE  67           HZ       PHE  67   1.024  -0.280   1.658
  517    H    GLU  68           H        GLU  68   3.959  -7.660  -0.495
  518    HA   GLU  68           HA       GLU  68   4.922  -9.505   1.444
  519    HB2  GLU  68           HB3      GLU  68   3.439 -10.171  -0.437
  520    HB3  GLU  68           HB2      GLU  68   4.700  -9.745  -1.591
  521    HG2  GLU  68           HG3      GLU  68   6.174 -11.421  -0.304
  522    HG3  GLU  68           HG2      GLU  68   4.656 -11.953   0.413
  523    H    ILE  69           H        ILE  69   6.099  -8.160  -1.606
  524    HA   ILE  69           HA       ILE  69   8.478  -9.316  -1.563
  525    HB   ILE  69           HB       ILE  69   9.217  -7.788  -3.286
  526   HG12  ILE  69          HG13      ILE  69   6.559  -6.399  -2.798
  527   HG13  ILE  69          HG12      ILE  69   8.168  -5.700  -2.601
  528   HG21  ILE  69          HG21      ILE  69   8.128  -9.126  -4.658
  529   HG22  ILE  69          HG22      ILE  69   6.593  -8.348  -4.249
  530   HG23  ILE  69          HG23      ILE  69   7.199  -9.676  -3.245
  531   HD11  ILE  69          HD11      ILE  69   8.458  -5.463  -4.823
  532   HD12  ILE  69          HD12      ILE  69   6.669  -5.421  -4.745
  533   HD13  ILE  69          HD13      ILE  69   7.514  -6.937  -5.112
  534    H    SER  70           H        SER  70   7.735  -6.239  -0.223
  535    HA   SER  70           HA       SER  70  10.489  -5.709   0.546
  536    HB2  SER  70           HB3      SER  70   9.535  -3.705   1.601
  537    HB3  SER  70           HB2      SER  70   9.008  -3.853  -0.073
  538    HG   SER  70           HG       SER  70   7.035  -4.499   0.570
  539    H    ARG  71           H        ARG  71  11.022  -5.499   2.856
  540    HA   ARG  71           HA       ARG  71   9.703  -7.556   4.270
  541    HB2  ARG  71           HB3      ARG  71  12.269  -6.156   4.954
  542    HB3  ARG  71           HB2      ARG  71  11.481  -7.289   6.067
  543    HG2  ARG  71           HG3      ARG  71  12.233  -7.953   3.222
  544    HG3  ARG  71           HG2      ARG  71  13.210  -8.354   4.647
  545    HD2  ARG  71           HD3      ARG  71  11.479  -9.780   5.511
  546    HD3  ARG  71           HD2      ARG  71  10.334  -9.236   4.290
  547    HE   ARG  71           HE       ARG  71  12.293 -11.282   4.054
  548   HH11  ARG  71          HH11      ARG  71  10.223  -9.086   2.203
  549   HH12  ARG  71          HH12      ARG  71  10.620  -9.672   0.672
  550   HH21  ARG  71          HH22      ARG  71  12.904 -12.156   1.902
  551   HH22  ARG  71          HH21      ARG  71  12.168 -11.557   0.504
  552    H    ARG  72           H        ARG  72   7.847  -6.340   4.117
  553    HA   ARG  72           HA       ARG  72   7.125  -5.252   6.712
  554    HB2  ARG  72           HB3      ARG  72   6.551  -3.908   4.051
  555    HB3  ARG  72           HB2      ARG  72   5.724  -3.519   5.537
  556    HG2  ARG  72           HG3      ARG  72   8.647  -3.389   5.388
  557    HG3  ARG  72           HG2      ARG  72   7.701  -2.066   4.683
  558    HD2  ARG  72           HD3      ARG  72   8.469  -1.551   6.980
  559    HD3  ARG  72           HD2      ARG  72   6.722  -1.664   6.926
  560    HE   ARG  72           HE       ARG  72   7.728  -4.126   7.809
  561   HH11  ARG  72          HH11      ARG  72   7.707  -0.737   8.945
  562   HH12  ARG  72          HH12      ARG  72   7.663  -1.147  10.569
  563   HH21  ARG  72          HH22      ARG  72   7.523  -4.698  10.048
  564   HH22  ARG  72          HH21      ARG  72   7.599  -3.488  11.243
  565    HA   PRO  73           HA       PRO  73   4.353  -8.421   4.681
  566    HB2  PRO  73           HB2      PRO  73   4.704 -10.442   6.436
  567    HB3  PRO  73           HB3      PRO  73   5.705 -10.272   4.971
  568    HG2  PRO  73           HG3      PRO  73   6.209  -9.463   7.776
  569    HG3  PRO  73           HG2      PRO  73   7.315 -10.285   6.631
  570    HD2  PRO  73           HD3      PRO  73   7.428  -7.638   7.171
  571    HD3  PRO  73           HD2      PRO  73   7.818  -8.301   5.559
  572    H    ASP  74           H        ASP  74   5.002  -6.887   7.596
  573    HA   ASP  74           HA       ASP  74   2.953  -7.763   9.329
  574    HB2  ASP  74           HB3      ASP  74   4.333  -5.049   9.132
  575    HB3  ASP  74           HB2      ASP  74   3.614  -5.759  10.574
  576    H    LEU  75           H        LEU  75   3.486  -5.181   7.354
  577    HA   LEU  75           HA       LEU  75   0.908  -3.946   7.318
  578    HB2  LEU  75           HB3      LEU  75   3.088  -3.643   5.223
  579    HB3  LEU  75           HB2      LEU  75   1.608  -2.731   5.197
  580    HG   LEU  75           HG       LEU  75   2.272  -1.538   7.304
  581   HD11  LEU  75          HD11      LEU  75   4.775  -3.206   7.134
  582   HD12  LEU  75          HD12      LEU  75   3.566  -3.244   8.414
  583   HD13  LEU  75          HD13      LEU  75   4.542  -1.798   8.165
  584   HD21  LEU  75          HD21      LEU  75   4.624  -1.447   5.495
  585   HD22  LEU  75          HD22      LEU  75   3.752  -0.144   6.318
  586   HD23  LEU  75          HD23      LEU  75   3.014  -0.937   4.941
  587    H    LEU  76           H        LEU  76   2.425  -5.998   5.169
  588    HA   LEU  76           HA       LEU  76   0.475  -6.727   3.133
  589    HB2  LEU  76           HB3      LEU  76   2.670  -8.081   3.291
  590    HB3  LEU  76           HB2      LEU  76   1.849  -8.945   4.612
  591    HG   LEU  76           HG       LEU  76   0.030  -9.351   2.977
  592   HD11  LEU  76          HD11      LEU  76   1.220  -9.706   0.656
  593   HD12  LEU  76          HD12      LEU  76   1.668  -8.077   1.212
  594   HD13  LEU  76          HD13      LEU  76  -0.029  -8.566   1.161
  595   HD21  LEU  76          HD21      LEU  76   0.714 -11.394   3.292
  596   HD22  LEU  76          HD22      LEU  76   2.370 -10.858   3.547
  597   HD23  LEU  76          HD23      LEU  76   1.837 -11.214   1.906
  598    H    THR  77           H        THR  77   0.942  -8.243   6.113
  599    HA   THR  77           HA       THR  77  -1.144  -9.954   6.391
  600    HB   THR  77           HB       THR  77   0.204  -8.304   8.473
  601    HG1  THR  77           HG1      THR  77   1.619  -9.696   7.596
  602   HG21  THR  77          HG21      THR  77  -1.546  -8.843   9.639
  603   HG22  THR  77          HG22      THR  77  -0.618 -10.351   9.889
  604   HG23  THR  77          HG23      THR  77  -1.922 -10.257   8.638
  605    H    MET  78           H        MET  78  -1.150  -6.641   7.252
  606    HA   MET  78           HA       MET  78  -3.833  -6.513   8.112
  607    HB2  MET  78           HB3      MET  78  -2.117  -4.286   7.053
  608    HB3  MET  78           HB2      MET  78  -3.716  -4.061   7.743
  609    HG2  MET  78           HG3      MET  78  -1.506  -5.400   9.223
  610    HG3  MET  78           HG2      MET  78  -1.729  -3.639   9.314
  611    HE1  MET  78           HE1      MET  78  -3.641  -7.159  11.283
  612    HE2  MET  78           HE2      MET  78  -3.383  -7.064   9.554
  613    HE3  MET  78           HE3      MET  78  -4.954  -6.659  10.234
  614    H    VAL  79           H        VAL  79  -2.439  -6.190   4.902
  615    HA   VAL  79           HA       VAL  79  -4.809  -5.325   3.578
  616    HB   VAL  79           HB       VAL  79  -2.440  -6.879   2.500
  617   HG11  VAL  79          HG11      VAL  79  -3.078  -5.265   0.502
  618   HG12  VAL  79          HG12      VAL  79  -4.668  -5.496   1.204
  619   HG13  VAL  79          HG13      VAL  79  -3.715  -6.901   0.671
  620   HG21  VAL  79          HG21      VAL  79  -1.309  -5.134   3.348
  621   HG22  VAL  79          HG22      VAL  79  -2.695  -4.050   3.283
  622   HG23  VAL  79          HG23      VAL  79  -1.786  -4.402   1.808
  623    H    VAL  80           H        VAL  80  -3.140  -8.400   3.940
  624    HA   VAL  80           HA       VAL  80  -4.982 -10.203   2.747
  625    HB   VAL  80           HB       VAL  80  -3.125 -10.668   5.145
  626   HG11  VAL  80          HG11      VAL  80  -4.424 -12.662   3.309
  627   HG12  VAL  80          HG12      VAL  80  -4.760 -12.395   5.025
  628   HG13  VAL  80          HG13      VAL  80  -3.185 -13.016   4.525
  629   HG21  VAL  80          HG21      VAL  80  -1.956 -11.858   2.952
  630   HG22  VAL  80          HG22      VAL  80  -1.484 -10.313   3.665
  631   HG23  VAL  80          HG23      VAL  80  -2.596 -10.354   2.294
  632    H    ASP  81           H        ASP  81  -4.635  -9.342   5.931
  633    HA   ASP  81           HA       ASP  81  -6.807 -10.613   7.117
  634    HB2  ASP  81           HB3      ASP  81  -5.191  -9.540   8.616
  635    HB3  ASP  81           HB2      ASP  81  -5.772  -7.951   8.118
  636    H    TYR  82           H        TYR  82  -6.641  -7.431   5.847
  637    HA   TYR  82           HA       TYR  82  -9.192  -6.300   6.248
  638    HB2  TYR  82           HB3      TYR  82  -7.420  -5.023   5.399
  639    HB3  TYR  82           HB2      TYR  82  -7.299  -6.026   3.940
  640    HD1  TYR  82           HD2      TYR  82  -9.687  -3.934   5.813
  641    HD2  TYR  82           HD1      TYR  82  -8.365  -5.425   2.120
  642    HE1  TYR  82           HE2      TYR  82 -11.263  -2.431   4.647
  643    HE2  TYR  82           HE1      TYR  82  -9.934  -3.979   0.918
  644    HH   TYR  82           HH       TYR  82 -11.403  -2.282   1.145
  645    H    ARG  83           H        ARG  83  -7.916  -8.057   3.480
  646    HA   ARG  83           HA       ARG  83 -10.117  -8.106   1.865
  647    HB2  ARG  83           HB3      ARG  83  -8.037  -8.560   0.964
  648    HB3  ARG  83           HB2      ARG  83  -7.607  -9.701   2.209
  649    HG2  ARG  83           HG3      ARG  83  -9.670 -10.309   0.205
  650    HG3  ARG  83           HG2      ARG  83  -7.939 -10.511  -0.206
  651    HD2  ARG  83           HD3      ARG  83  -7.800 -11.952   1.818
  652    HD3  ARG  83           HD2      ARG  83  -9.548 -11.853   1.982
  653    HE   ARG  83           HE       ARG  83  -8.898 -12.681  -0.634
  654   HH11  ARG  83          HH11      ARG  83  -8.921 -14.004   2.688
  655   HH12  ARG  83          HH12      ARG  83  -8.982 -15.629   2.157
  656   HH21  ARG  83          HH22      ARG  83  -8.976 -14.870  -1.305
  657   HH22  ARG  83          HH21      ARG  83  -9.047 -16.144  -0.191
  658    H    THR  84           H        THR  84  -9.121 -10.260   4.069
  659    HA   THR  84           HA       THR  84 -11.299 -12.142   4.025
  660    HB   THR  84           HB       THR  84  -9.510 -11.495   6.270
  661    HG1  THR  84           HG1      THR  84  -8.018 -12.362   4.962
  662   HG21  THR  84          HG21      THR  84 -11.378 -12.744   6.816
  663   HG22  THR  84          HG22      THR  84  -9.924 -13.756   6.991
  664   HG23  THR  84          HG23      THR  84 -10.995 -13.947   5.553
  665    H    ARG  85           H        ARG  85 -10.550 -10.008   6.367
  666    HA   ARG  85           HA       ARG  85 -12.775 -10.063   7.908
  667    HB2  ARG  85           HB3      ARG  85 -12.276  -7.961   9.204
  668    HB3  ARG  85           HB2      ARG  85 -10.889  -9.010   8.986
  669    HG2  ARG  85           HG3      ARG  85 -10.012  -6.838   8.676
  670    HG3  ARG  85           HG2      ARG  85 -10.288  -7.437   7.049
  671    HD2  ARG  85           HD3      ARG  85 -11.001  -5.224   7.071
  672    HD3  ARG  85           HD2      ARG  85 -12.433  -6.285   7.072
  673    HE   ARG  85           HE       ARG  85 -13.110  -5.129   8.899
  674   HH11  ARG  85          HH11      ARG  85  -9.528  -5.332   9.196
  675   HH12  ARG  85          HH12      ARG  85  -9.496  -4.494  10.683
  676   HH21  ARG  85          HH22      ARG  85 -12.955  -3.935  10.942
  677   HH22  ARG  85          HH21      ARG  85 -11.436  -3.740  11.691
  678    H    VAL  86           H        VAL  86 -12.359  -7.757   5.646
  679    HA   VAL  86           HA       VAL  86 -15.012  -6.638   5.585
  680    HB   VAL  86           HB       VAL  86 -13.058  -6.803   3.300
  681   HG11  VAL  86          HG11      VAL  86 -15.608  -6.321   2.762
  682   HG12  VAL  86          HG12      VAL  86 -14.405  -5.259   2.069
  683   HG13  VAL  86          HG13      VAL  86 -15.300  -4.757   3.518
  684   HG21  VAL  86          HG21      VAL  86 -13.202  -4.212   4.125
  685   HG22  VAL  86          HG22      VAL  86 -11.985  -5.402   4.594
  686   HG23  VAL  86          HG23      VAL  86 -13.387  -5.136   5.628
  687    H    LEU  87           H        LEU  87 -13.651  -9.390   3.990
  688    HA   LEU  87           HA       LEU  87 -15.839 -10.241   2.441
  689    HB2  LEU  87           HB3      LEU  87 -13.632 -11.058   2.047
  690    HB3  LEU  87           HB2      LEU  87 -13.424 -11.501   3.715
  691    HG   LEU  87           HG       LEU  87 -14.762 -13.319   3.512
  692   HD11  LEU  87          HD11      LEU  87 -15.624 -11.988   1.010
  693   HD12  LEU  87          HD12      LEU  87 -16.458 -13.280   1.866
  694   HD13  LEU  87          HD13      LEU  87 -15.184 -13.662   0.688
  695   HD21  LEU  87          HD21      LEU  87 -13.261 -14.669   2.370
  696   HD22  LEU  87          HD22      LEU  87 -12.359 -13.175   2.661
  697   HD23  LEU  87          HD23      LEU  87 -13.049 -13.492   1.078
  698    H    LYS  88           H        LYS  88 -14.715 -11.062   5.654
  699    HA   LYS  88           HA       LYS  88 -16.746 -12.772   6.373
  700    HB2  LYS  88           HB3      LYS  88 -14.461 -12.408   7.496
  701    HB3  LYS  88           HB2      LYS  88 -15.183 -11.030   8.293
  702    HG2  LYS  88           HG3      LYS  88 -15.159 -12.892   9.813
  703    HG3  LYS  88           HG2      LYS  88 -16.839 -12.570   9.347
  704    HD2  LYS  88           HD3      LYS  88 -16.795 -14.361   7.731
  705    HD3  LYS  88           HD2      LYS  88 -15.075 -14.669   8.067
  706    HE2  LYS  88           HE3      LYS  88 -16.451 -16.320   9.164
  707    HE3  LYS  88           HE2      LYS  88 -15.654 -15.312  10.360
  708    HZ1  LYS  88           HZ1      LYS  88 -17.999 -15.786  10.871
  709    HZ2  LYS  88           HZ2      LYS  88 -18.489 -15.005   9.465
  710    HZ3  LYS  88           HZ3      LYS  88 -17.764 -14.134  10.718
  711    H    ILE  89           H        ILE  89 -16.576  -9.223   6.567
  712    HA   ILE  89           HA       ILE  89 -18.789  -8.830   8.235
  713    HB   ILE  89           HB       ILE  89 -17.209  -7.140   6.335
  714   HG12  ILE  89          HG13      ILE  89 -17.261  -7.140   9.367
  715   HG13  ILE  89          HG12      ILE  89 -15.976  -7.722   8.303
  716   HG21  ILE  89          HG21      ILE  89 -18.343  -5.145   7.454
  717   HG22  ILE  89          HG22      ILE  89 -19.639  -6.339   7.745
  718   HG23  ILE  89          HG23      ILE  89 -19.044  -6.062   6.107
  719   HD11  ILE  89          HD11      ILE  89 -15.306  -5.604   7.723
  720   HD12  ILE  89          HD12      ILE  89 -15.714  -5.424   9.429
  721   HD13  ILE  89          HD13      ILE  89 -16.850  -4.880   8.198
  722    H    SER  90           H        SER  90 -18.218  -8.663   4.748
  723    HA   SER  90           HA       SER  90 -20.933  -7.832   4.269
  724    HB2  SER  90           HB3      SER  90 -18.758  -8.548   2.287
  725    HB3  SER  90           HB2      SER  90 -20.292  -7.696   1.975
  726    HG   SER  90           HG       SER  90 -18.078  -6.856   3.481
  Start of MODEL    3
    1    H1   MET   1           H        MET   1 -16.198   1.270   1.159
    2    H2   MET   1           H2       MET   1 -15.529   0.835   2.658
    3    H3   MET   1           H3       MET   1 -16.460   2.219   2.514
    4    HA   MET   1           HA       MET   1 -13.949   1.896   0.982
    5    HB2  MET   1           HB3      MET   1 -15.522   3.516   0.039
    6    HB3  MET   1           HB2      MET   1 -15.621   4.349   1.605
    7    HG2  MET   1           HG3      MET   1 -13.228   4.901   1.416
    8    HG3  MET   1           HG2      MET   1 -13.174   4.120  -0.150
    9    HE1  MET   1           HE1      MET   1 -15.860   4.907  -1.478
   10    HE2  MET   1           HE2      MET   1 -14.381   5.203  -2.404
   11    HE3  MET   1           HE3      MET   1 -15.582   6.479  -2.243
   12    H    ALA   2           H        ALA   2 -15.315   3.107   3.732
   13    HA   ALA   2           HA       ALA   2 -13.043   4.418   4.898
   14    HB1  ALA   2           HB1      ALA   2 -14.567   5.068   6.470
   15    HB2  ALA   2           HB2      ALA   2 -14.381   3.488   7.212
   16    HB3  ALA   2           HB3      ALA   2 -15.646   3.747   6.023
   17    H    GLU   3           H        GLU   3 -14.108   1.243   5.627
   18    HA   GLU   3           HA       GLU   3 -12.300   0.102   7.134
   19    HB2  GLU   3           HB3      GLU   3 -12.860  -1.154   4.459
   20    HB3  GLU   3           HB2      GLU   3 -12.513  -1.990   5.938
   21    HG2  GLU   3           HG3      GLU   3 -14.822  -2.385   5.420
   22    HG3  GLU   3           HG2      GLU   3 -14.747  -1.266   6.771
   23    H    TYR   4           H        TYR   4 -12.122   0.478   3.921
   24    HA   TYR   4           HA       TYR   4  -9.420  -0.331   3.241
   25    HB2  TYR   4           HB3      TYR   4 -11.168  -0.096   1.459
   26    HB3  TYR   4           HB2      TYR   4 -10.877   1.670   1.474
   27    HD1  TYR   4           HD2      TYR   4  -8.795  -1.353   1.610
   28    HD2  TYR   4           HD1      TYR   4  -9.596   2.229  -0.595
   29    HE1  TYR   4           HE2      TYR   4  -7.011  -1.908   0.071
   30    HE2  TYR   4           HE1      TYR   4  -7.804   1.662  -2.124
   31    HH   TYR   4           HH       TYR   4  -6.639  -0.666  -2.859
   32    H    GLY   5           H        GLY   5 -10.865   2.706   3.648
   33    HA2  GLY   5           HA3      GLY   5  -8.702   4.540   3.485
   34    HA3  GLY   5           HA2      GLY   5 -10.067   4.832   4.542
   35    H    THR   6           H        THR   6  -9.827   2.840   6.497
   36    HA   THR   6           HA       THR   6  -7.694   3.710   8.089
   37    HB   THR   6           HB       THR   6  -9.405   1.256   8.233
   38    HG1  THR   6           HG1      THR   6  -9.786   3.942   9.121
   39   HG21  THR   6          HG21      THR   6  -7.295   1.979   9.685
   40   HG22  THR   6          HG22      THR   6  -8.586   0.899  10.213
   41   HG23  THR   6          HG23      THR   6  -8.648   2.625  10.666
   42    H    LEU   7           H        LEU   7  -8.291   0.879   6.305
   43    HA   LEU   7           HA       LEU   7  -6.088  -0.812   6.791
   44    HB2  LEU   7           HB3      LEU   7  -7.616  -1.539   5.095
   45    HB3  LEU   7           HB2      LEU   7  -7.139  -0.223   4.035
   46    HG   LEU   7           HG       LEU   7  -4.883  -1.198   3.919
   47   HD11  LEU   7          HD11      LEU   7  -5.339  -3.833   4.504
   48   HD12  LEU   7          HD12      LEU   7  -5.900  -2.924   5.904
   49   HD13  LEU   7          HD13      LEU   7  -4.248  -2.709   5.305
   50   HD21  LEU   7          HD21      LEU   7  -7.251  -1.950   2.642
   51   HD22  LEU   7          HD22      LEU   7  -6.264  -3.408   2.792
   52   HD23  LEU   7          HD23      LEU   7  -5.603  -1.966   2.005
   53    H    LEU   8           H        LEU   8  -6.080   1.479   4.402
   54    HA   LEU   8           HA       LEU   8  -3.317   1.585   3.662
   55    HB2  LEU   8           HB3      LEU   8  -5.289   3.879   3.494
   56    HB3  LEU   8           HB2      LEU   8  -3.619   3.934   2.963
   57    HG   LEU   8           HG       LEU   8  -3.990   2.435   1.156
   58   HD11  LEU   8          HD11      LEU   8  -6.848   2.056   1.840
   59   HD12  LEU   8          HD12      LEU   8  -5.614   0.989   2.530
   60   HD13  LEU   8          HD13      LEU   8  -5.823   1.074   0.786
   61   HD21  LEU   8          HD21      LEU   8  -5.906   4.634   1.514
   62   HD22  LEU   8          HD22      LEU   8  -6.223   3.517   0.183
   63   HD23  LEU   8          HD23      LEU   8  -4.677   4.356   0.281
   64    H    GLN   9           H        GLN   9  -5.036   3.259   6.066
   65    HA   GLN   9           HA       GLN   9  -2.957   4.796   7.139
   66    HB2  GLN   9           HB3      GLN   9  -5.052   5.732   7.135
   67    HB3  GLN   9           HB2      GLN   9  -5.788   4.215   7.631
   68    HG2  GLN   9           HG3      GLN   9  -5.434   4.481   9.629
   69    HG3  GLN   9           HG2      GLN   9  -4.003   5.586   9.567
   70   HE21  GLN   9          HE22      GLN   9  -4.479   7.690   9.594
   71   HE22  GLN   9          HE21      GLN   9  -6.059   8.390   9.702
   72    H    ASP  10           H        ASP  10  -4.024   1.754   7.616
   73    HA   ASP  10           HA       ASP  10  -3.225   1.183  10.376
   74    HB2  ASP  10           HB3      ASP  10  -4.141  -0.675   8.169
   75    HB3  ASP  10           HB2      ASP  10  -3.477  -1.273   9.681
   76    H    LEU  11           H        LEU  11  -1.958   0.601   7.116
   77    HA   LEU  11           HA       LEU  11   0.399  -0.545   8.152
   78    HB2  LEU  11           HB3      LEU  11   1.052  -0.795   5.872
   79    HB3  LEU  11           HB2      LEU  11  -0.523  -1.545   6.184
   80    HG   LEU  11           HG       LEU  11  -1.372   0.674   5.176
   81   HD11  LEU  11          HD11      LEU  11   0.904   0.736   3.397
   82   HD12  LEU  11          HD12      LEU  11   1.312   1.134   5.069
   83   HD13  LEU  11          HD13      LEU  11   0.066   2.043   4.235
   84   HD21  LEU  11          HD21      LEU  11  -0.216  -1.075   3.076
   85   HD22  LEU  11          HD22      LEU  11  -1.876  -0.526   3.307
   86   HD23  LEU  11          HD23      LEU  11  -1.275  -1.839   4.287
   87    H    THR  12           H        THR  12  -0.807   2.390   7.122
   88    HA   THR  12           HA       THR  12   1.580   3.913   6.776
   89    HB   THR  12           HB       THR  12  -1.308   4.617   7.127
   90    HG1  THR  12           HG1      THR  12  -0.966   3.943   5.183
   91   HG21  THR  12          HG21      THR  12  -0.869   6.609   7.665
   92   HG22  THR  12          HG22      THR  12  -0.093   6.742   6.060
   93   HG23  THR  12          HG23      THR  12   0.904   6.301   7.532
   94    H    ASN  13           H        ASN  13  -0.447   3.150   9.501
   95    HA   ASN  13           HA       ASN  13   0.787   4.838  11.447
   96    HB2  ASN  13           HB3      ASN  13  -0.535   2.133  11.910
   97    HB3  ASN  13           HB2      ASN  13   0.026   3.162  13.195
   98   HD21  ASN  13          HD22      ASN  13  -2.634   2.128  11.822
   99   HD22  ASN  13          HD21      ASN  13  -3.668   3.490  11.968
  100    H    ASN  14           H        ASN  14   1.565   1.795  10.097
  101    HA   ASN  14           HA       ASN  14   3.848   1.391  11.868
  102    HB2  ASN  14           HB3      ASN  14   2.809  -0.358   9.587
  103    HB3  ASN  14           HB2      ASN  14   4.228  -0.736  10.528
  104   HD21  ASN  14          HD22      ASN  14   2.272   0.638  12.746
  105   HD22  ASN  14          HD21      ASN  14   1.455  -0.771  13.329
  106    H    ILE  15           H        ILE  15   3.226   2.862   8.909
  107    HA   ILE  15           HA       ILE  15   5.690   2.387   7.590
  108    HB   ILE  15           HB       ILE  15   3.322   4.107   7.114
  109   HG12  ILE  15          HG13      ILE  15   3.338   1.761   6.423
  110   HG13  ILE  15          HG12      ILE  15   3.114   2.858   5.067
  111   HG21  ILE  15          HG21      ILE  15   5.908   4.904   6.192
  112   HG22  ILE  15          HG22      ILE  15   4.335   5.680   6.011
  113   HG23  ILE  15          HG23      ILE  15   4.845   4.444   4.847
  114   HD11  ILE  15          HD11      ILE  15   5.009   0.809   5.219
  115   HD12  ILE  15          HD12      ILE  15   5.923   2.286   5.522
  116   HD13  ILE  15          HD13      ILE  15   4.966   2.132   4.058
  117    H    THR  16           H        THR  16   7.510   3.187   8.128
  118    HA   THR  16           HA       THR  16   7.877   5.861   9.108
  119    HB   THR  16           HB       THR  16  10.166   5.229   9.384
  120    HG1  THR  16           HG1      THR  16   9.583   2.538   8.747
  121   HG21  THR  16          HG21      THR  16   8.527   2.995  10.307
  122   HG22  THR  16          HG22      THR  16   8.420   4.622  11.016
  123   HG23  THR  16          HG23      THR  16   9.971   3.724  11.117
  124    H    LEU  17           H        LEU  17   9.427   6.910   8.066
  125    HA   LEU  17           HA       LEU  17   9.349   7.191   5.231
  126    HB2  LEU  17           HB3      LEU  17  11.519   8.125   7.016
  127    HB3  LEU  17           HB2      LEU  17  11.781   8.096   5.292
  128    HG   LEU  17           HG       LEU  17  11.043  10.247   5.978
  129   HD11  LEU  17          HD11      LEU  17   8.794  10.176   4.555
  130   HD12  LEU  17          HD12      LEU  17   9.484   8.620   4.125
  131   HD13  LEU  17          HD13      LEU  17  10.418  10.094   3.876
  132   HD21  LEU  17          HD21      LEU  17   8.291   9.914   6.472
  133   HD22  LEU  17          HD22      LEU  17   9.490  10.546   7.604
  134   HD23  LEU  17          HD23      LEU  17   9.136   8.819   7.567
  135    H    GLU  18           H        GLU  18  11.724   5.421   7.092
  136    HA   GLU  18           HA       GLU  18  12.943   4.352   4.791
  137    HB2  GLU  18           HB3      GLU  18  13.124   3.198   7.584
  138    HB3  GLU  18           HB2      GLU  18  14.100   2.695   6.218
  139    HG2  GLU  18           HG3      GLU  18  14.920   5.014   5.966
  140    HG3  GLU  18           HG2      GLU  18  14.033   5.466   7.401
  141    H    ASP  19           H        ASP  19  10.546   2.958   6.758
  142    HA   ASP  19           HA       ASP  19  10.170   0.532   5.369
  143    HB2  ASP  19           HB3      ASP  19   8.094   2.194   6.798
  144    HB3  ASP  19           HB2      ASP  19   7.625   0.647   6.042
  145    H    LEU  20           H        LEU  20   8.367   3.467   4.708
  146    HA   LEU  20           HA       LEU  20   7.451   2.644   2.324
  147    HB2  LEU  20           HB3      LEU  20   8.076   5.386   3.058
  148    HB3  LEU  20           HB2      LEU  20   7.616   5.009   1.407
  149    HG   LEU  20           HG       LEU  20   5.966   4.437   3.838
  150   HD11  LEU  20          HD11      LEU  20   4.882   6.246   1.914
  151   HD12  LEU  20          HD12      LEU  20   6.518   6.752   2.285
  152   HD13  LEU  20          HD13      LEU  20   5.345   6.563   3.586
  153   HD21  LEU  20          HD21      LEU  20   4.985   4.376   1.007
  154   HD22  LEU  20          HD22      LEU  20   4.396   3.447   2.391
  155   HD23  LEU  20          HD23      LEU  20   5.868   2.974   1.586
  156    H    GLU  21           H        GLU  21  10.536   4.057   2.789
  157    HA   GLU  21           HA       GLU  21  11.236   4.209   0.089
  158    HB2  GLU  21           HB3      GLU  21  12.977   3.893   2.515
  159    HB3  GLU  21           HB2      GLU  21  13.643   3.992   0.887
  160    HG2  GLU  21           HG3      GLU  21  11.868   6.049   2.136
  161    HG3  GLU  21           HG2      GLU  21  13.629   6.157   2.122
  162    H    GLN  22           H        GLN  22  11.421   1.764   2.313
  163    HA   GLN  22           HA       GLN  22  12.762  -0.077   0.621
  164    HB2  GLN  22           HB3      GLN  22  12.801  -0.371   3.047
  165    HB3  GLN  22           HB2      GLN  22  11.085  -0.770   3.017
  166    HG2  GLN  22           HG3      GLN  22  11.527  -2.705   1.671
  167    HG3  GLN  22           HG2      GLN  22  13.244  -2.337   1.644
  168   HE21  GLN  22          HE22      GLN  22  10.862  -3.996   3.170
  169   HE22  GLN  22          HE21      GLN  22  11.649  -4.356   4.680
  170    H    LEU  23           H        LEU  23   9.246   0.324   1.352
  171    HA   LEU  23           HA       LEU  23   8.377  -1.617  -0.401
  172    HB2  LEU  23           HB3      LEU  23   7.177   1.051   0.383
  173    HB3  LEU  23           HB2      LEU  23   6.324  -0.247  -0.420
  174    HG   LEU  23           HG       LEU  23   7.464  -0.318   2.339
  175   HD11  LEU  23          HD11      LEU  23   4.612  -0.221   1.437
  176   HD12  LEU  23          HD12      LEU  23   5.533   1.207   1.922
  177   HD13  LEU  23          HD13      LEU  23   5.196  -0.074   3.089
  178   HD21  LEU  23          HD21      LEU  23   5.580  -2.315   2.142
  179   HD22  LEU  23          HD22      LEU  23   7.336  -2.522   2.081
  180   HD23  LEU  23          HD23      LEU  23   6.434  -2.393   0.587
  181    H    LYS  24           H        LYS  24   9.138   1.582  -0.712
  182    HA   LYS  24           HA       LYS  24   8.428   2.034  -3.467
  183    HB2  LYS  24           HB3      LYS  24  10.567   3.542  -1.952
  184    HB3  LYS  24           HB2      LYS  24  10.033   3.971  -3.566
  185    HG2  LYS  24           HG3      LYS  24   8.289   4.061  -1.063
  186    HG3  LYS  24           HG2      LYS  24   9.034   5.444  -1.827
  187    HD2  LYS  24           HD3      LYS  24   6.726   5.372  -2.403
  188    HD3  LYS  24           HD2      LYS  24   7.646   4.959  -3.839
  189    HE2  LYS  24           HE3      LYS  24   5.679   3.534  -3.583
  190    HE3  LYS  24           HE2      LYS  24   7.173   2.598  -3.451
  191    HZ1  LYS  24           HZ1      LYS  24   6.080   1.808  -1.674
  192    HZ2  LYS  24           HZ2      LYS  24   5.184   3.221  -1.429
  193    HZ3  LYS  24           HZ3      LYS  24   6.799   3.145  -0.923
  194    H    SER  25           H        SER  25  11.152   1.353  -2.170
  195    HA   SER  25           HA       SER  25  13.014   0.844  -4.284
  196    HB2  SER  25           HB3      SER  25  13.144  -0.816  -1.716
  197    HB3  SER  25           HB2      SER  25  14.413  -0.784  -2.938
  198    HG   SER  25           HG       SER  25  13.444   1.441  -1.475
  199    H    ALA  26           H        ALA  26  11.019  -1.244  -2.765
  200    HA   ALA  26           HA       ALA  26  11.167  -3.407  -4.667
  201    HB1  ALA  26           HB1      ALA  26   9.802  -3.074  -2.257
  202    HB2  ALA  26           HB2      ALA  26   9.803  -4.529  -3.263
  203    HB3  ALA  26           HB3      ALA  26   8.536  -3.314  -3.461
  204    H    CYS  27           H        CYS  27   8.831  -0.700  -4.355
  205    HA   CYS  27           HA       CYS  27   7.388  -1.404  -6.640
  206    HB2  CYS  27           HB3      CYS  27   7.645   1.305  -5.426
  207    HB3  CYS  27           HB2      CYS  27   6.461   0.674  -6.559
  208    HG   CYS  27           HG       CYS  27   5.035  -0.721  -4.843
  209    H    LYS  28           H        LYS  28  10.506  -0.068  -6.626
  210    HA   LYS  28           HA       LYS  28  10.187   2.150  -8.118
  211    HB2  LYS  28           HB3      LYS  28  12.555   0.364  -7.974
  212    HB3  LYS  28           HB2      LYS  28  12.593   1.892  -8.888
  213    HG2  LYS  28           HG3      LYS  28  11.875   3.043  -6.830
  214    HG3  LYS  28           HG2      LYS  28  12.014   1.505  -5.972
  215    HD2  LYS  28           HD3      LYS  28  14.144   2.725  -7.542
  216    HD3  LYS  28           HD2      LYS  28  14.017   3.087  -5.789
  217    HE2  LYS  28           HE3      LYS  28  14.280   0.537  -5.527
  218    HE3  LYS  28           HE2      LYS  28  14.658   0.509  -7.243
  219    HZ1  LYS  28           HZ1      LYS  28  16.709   0.590  -6.139
  220    HZ2  LYS  28           HZ2      LYS  28  16.233   1.800  -5.086
  221    HZ3  LYS  28           HZ3      LYS  28  16.504   2.148  -6.702
  222    H    GLU  29           H        GLU  29  10.303  -0.885  -9.326
  223    HA   GLU  29           HA       GLU  29  10.376  -0.032 -12.080
  224    HB2  GLU  29           HB3      GLU  29   9.338  -2.706 -11.130
  225    HB3  GLU  29           HB2      GLU  29   9.625  -2.246 -12.798
  226    HG2  GLU  29           HG3      GLU  29  12.007  -1.845 -12.211
  227    HG3  GLU  29           HG2      GLU  29  11.647  -2.515 -10.629
  228    H    ASP  30           H        ASP  30   7.674  -0.741  -9.884
  229    HA   ASP  30           HA       ASP  30   5.823  -0.172 -12.017
  230    HB2  ASP  30           HB3      ASP  30   5.306  -1.106  -9.228
  231    HB3  ASP  30           HB2      ASP  30   4.033  -0.567 -10.294
  232    H    ILE  31           H        ILE  31   6.637   1.446  -9.009
  233    HA   ILE  31           HA       ILE  31   4.746   3.513  -9.844
  234    HB   ILE  31           HB       ILE  31   4.756   2.570  -7.411
  235   HG12  ILE  31          HG13      ILE  31   3.684   4.806  -7.920
  236   HG13  ILE  31          HG12      ILE  31   4.270   4.663  -6.278
  237   HG21  ILE  31          HG21      ILE  31   7.169   4.299  -7.137
  238   HG22  ILE  31          HG22      ILE  31   7.155   2.517  -7.124
  239   HG23  ILE  31          HG23      ILE  31   6.337   3.429  -5.858
  240   HD11  ILE  31          HD11      ILE  31   5.748   6.288  -6.527
  241   HD12  ILE  31          HD12      ILE  31   4.760   6.772  -7.922
  242   HD13  ILE  31          HD13      ILE  31   6.174   5.738  -8.169
  243    HA   PRO  32           HA       PRO  32   7.859   5.398 -11.877
  244    HB2  PRO  32           HB2      PRO  32   6.612   7.978 -10.983
  245    HB3  PRO  32           HB3      PRO  32   7.159   7.500 -12.602
  246    HG2  PRO  32           HG3      PRO  32   4.571   7.369 -11.968
  247    HG3  PRO  32           HG2      PRO  32   5.332   6.087 -12.927
  248    HD2  PRO  32           HD3      PRO  32   4.581   6.105 -10.048
  249    HD3  PRO  32           HD2      PRO  32   4.498   4.771 -11.215
  250    H    SER  33           H        SER  33   9.727   5.930 -11.487
  251    HA   SER  33           HA       SER  33  11.074   6.045  -9.029
  252    HB2  SER  33           HB3      SER  33  12.320   5.614 -11.159
  253    HB3  SER  33           HB2      SER  33  12.144   7.310 -11.599
  254    HG   SER  33           HG       SER  33  14.137   6.284 -10.385
  255    H    GLU  34           H        GLU  34  10.431   8.591 -11.055
  256    HA   GLU  34           HA       GLU  34  10.942  11.055  -9.840
  257    HB2  GLU  34           HB3      GLU  34   9.777  10.912 -12.004
  258    HB3  GLU  34           HB2      GLU  34   8.335  10.351 -11.185
  259    HG2  GLU  34           HG3      GLU  34   8.245  12.554  -9.995
  260    HG3  GLU  34           HG2      GLU  34   9.574  13.086 -11.038
  261    H    LYS  35           H        LYS  35   8.247   9.213  -9.435
  262    HA   LYS  35           HA       LYS  35   7.032  10.836  -7.444
  263    HB2  LYS  35           HB3      LYS  35   6.094   8.136  -8.370
  264    HB3  LYS  35           HB2      LYS  35   5.131   9.289  -7.427
  265    HG2  LYS  35           HG3      LYS  35   6.357   9.806 -10.088
  266    HG3  LYS  35           HG2      LYS  35   4.622   9.434  -9.817
  267    HD2  LYS  35           HD3      LYS  35   4.477  11.360  -8.437
  268    HD3  LYS  35           HD2      LYS  35   6.187  11.719  -8.653
  269    HE2  LYS  35           HE3      LYS  35   5.713  11.924 -11.109
  270    HE3  LYS  35           HE2      LYS  35   3.995  11.876 -10.695
  271    HZ1  LYS  35           HZ1      LYS  35   4.117  14.039 -10.100
  272    HZ2  LYS  35           HZ2      LYS  35   5.747  14.012 -10.622
  273    HZ3  LYS  35           HZ3      LYS  35   5.363  13.661  -9.009
  274    H    SER  36           H        SER  36   8.394   7.621  -7.214
  275    HA   SER  36           HA       SER  36   8.097   7.090  -4.580
  276    HB2  SER  36           HB3      SER  36   9.042   5.605  -6.108
  277    HB3  SER  36           HB2      SER  36  10.481   6.615  -6.393
  278    HG   SER  36           HG       SER  36  10.910   6.231  -4.075
  279    H    GLU  37           H        GLU  37  10.092   9.265  -5.949
  280    HA   GLU  37           HA       GLU  37  11.811  10.041  -3.716
  281    HB2  GLU  37           HB3      GLU  37  11.160  11.734  -6.127
  282    HB3  GLU  37           HB2      GLU  37  12.353  12.130  -4.912
  283    HG2  GLU  37           HG3      GLU  37  13.618  10.106  -5.487
  284    HG3  GLU  37           HG2      GLU  37  12.396   9.712  -6.704
  285    H    GLU  38           H        GLU  38   8.974  11.321  -4.912
  286    HA   GLU  38           HA       GLU  38   8.673  13.320  -2.808
  287    HB2  GLU  38           HB3      GLU  38   6.507  14.092  -3.733
  288    HB3  GLU  38           HB2      GLU  38   7.837  14.118  -4.870
  289    HG2  GLU  38           HG3      GLU  38   7.009  12.117  -5.929
  290    HG3  GLU  38           HG2      GLU  38   5.682  12.014  -4.782
  291    H    ILE  39           H        ILE  39   7.858  10.208  -2.791
  292    HA   ILE  39           HA       ILE  39   5.480  10.304  -1.183
  293    HB   ILE  39           HB       ILE  39   7.244   7.979  -1.989
  294   HG12  ILE  39          HG13      ILE  39   4.578   8.925  -2.965
  295   HG13  ILE  39          HG12      ILE  39   6.106   9.226  -3.787
  296   HG21  ILE  39          HG21      ILE  39   5.911   7.529   0.096
  297   HG22  ILE  39          HG22      ILE  39   5.514   6.510  -1.282
  298   HG23  ILE  39          HG23      ILE  39   4.462   7.871  -0.859
  299   HD11  ILE  39          HD11      ILE  39   5.207   6.478  -3.144
  300   HD12  ILE  39          HD12      ILE  39   6.314   7.058  -4.410
  301   HD13  ILE  39          HD13      ILE  39   4.572   7.374  -4.547
  302    H    THR  40           H        THR  40   6.837  11.740   0.242
  303    HA   THR  40           HA       THR  40   8.343  10.351   2.292
  304    HB   THR  40           HB       THR  40   9.198  12.378   1.562
  305    HG1  THR  40           HG1      THR  40   8.511  12.111   4.121
  306   HG21  THR  40          HG21      THR  40   7.924  14.568   1.856
  307   HG22  THR  40          HG22      THR  40   6.505  13.538   2.122
  308   HG23  THR  40          HG23      THR  40   7.368  13.441   0.599
  309    H    THR  41           H        THR  41   5.431   9.847   2.106
  310    HA   THR  41           HA       THR  41   5.060   9.404   4.737
  311    HB   THR  41           HB       THR  41   4.293  11.531   5.089
  312    HG1  THR  41           HG1      THR  41   2.096  11.133   5.848
  313   HG21  THR  41          HG21      THR  41   3.373  12.781   3.457
  314   HG22  THR  41          HG22      THR  41   1.857  11.952   3.817
  315   HG23  THR  41          HG23      THR  41   2.932  11.320   2.560
  316    H    GLY  42           H        GLY  42   3.372   8.015   5.228
  317    HA2  GLY  42           HA3      GLY  42   3.234   6.036   3.193
  318    HA3  GLY  42           HA2      GLY  42   2.252   5.963   4.666
  319    H    SER  43           H        SER  43   0.534   8.130   4.490
  320    HA   SER  43           HA       SER  43  -1.381   7.497   2.827
  321    HB2  SER  43           HB3      SER  43  -0.541  10.203   3.884
  322    HB3  SER  43           HB2      SER  43  -2.187   9.683   3.498
  323    HG   SER  43           HG       SER  43  -1.116   9.556   5.804
  324    H    ALA  44           H        ALA  44   1.250   9.588   2.361
  325    HA   ALA  44           HA       ALA  44   0.576  10.967  -0.022
  326    HB1  ALA  44           HB1      ALA  44   2.673  11.833  -0.077
  327    HB2  ALA  44           HB2      ALA  44   3.416  10.232  -0.120
  328    HB3  ALA  44           HB3      ALA  44   2.913  10.928   1.415
  329    H    TRP  45           H        TRP  45   2.285   7.878   0.227
  330    HA   TRP  45           HA       TRP  45   2.391   7.344  -2.545
  331    HB2  TRP  45           HB3      TRP  45   3.653   6.106  -0.726
  332    HB3  TRP  45           HB2      TRP  45   2.120   5.374  -0.285
  333    HD1  TRP  45           HD1      TRP  45   3.592   5.726  -3.888
  334    HE1  TRP  45           HE1      TRP  45   3.691   3.351  -4.869
  335    HE3  TRP  45           HE3      TRP  45   2.097   3.052   0.196
  336    HZ2  TRP  45           HZ2      TRP  45   3.271   0.773  -4.064
  337    HZ3  TRP  45           HZ3      TRP  45   2.016   0.616  -0.001
  338    HH2  TRP  45           HH2      TRP  45   2.602  -0.475  -2.118
  339    H    PHE  46           H        PHE  46   0.072   6.263  -0.192
  340    HA   PHE  46           HA       PHE  46  -1.508   5.004  -2.107
  341    HB2  PHE  46           HB3      PHE  46  -2.505   6.379   0.376
  342    HB3  PHE  46           HB2      PHE  46  -3.434   5.277  -0.637
  343    HD1  PHE  46           HD1      PHE  46  -2.270   3.013  -1.109
  344    HD2  PHE  46           HD2      PHE  46  -1.467   5.478   2.301
  345    HE1  PHE  46           HE1      PHE  46  -1.575   1.077   0.139
  346    HE2  PHE  46           HE2      PHE  46  -0.818   3.502   3.557
  347    HZ   PHE  46           HZ       PHE  46  -0.840   1.268   2.391
  348    H    SER  47           H        SER  47  -1.860   8.057  -0.859
  349    HA   SER  47           HA       SER  47  -3.895   9.065  -2.612
  350    HB2  SER  47           HB3      SER  47  -1.841  10.705  -1.166
  351    HB3  SER  47           HB2      SER  47  -3.304  11.360  -1.933
  352    HG   SER  47           HG       SER  47  -4.240   9.493  -0.468
  353    H    PHE  48           H        PHE  48  -0.487   8.942  -3.244
  354    HA   PHE  48           HA       PHE  48  -0.587  10.468  -5.680
  355    HB2  PHE  48           HB3      PHE  48   1.576  10.011  -4.719
  356    HB3  PHE  48           HB2      PHE  48   1.237   8.274  -4.691
  357    HD1  PHE  48           HD1      PHE  48   1.301  11.089  -7.195
  358    HD2  PHE  48           HD2      PHE  48   2.066   7.005  -6.291
  359    HE1  PHE  48           HE1      PHE  48   2.043  10.722  -9.471
  360    HE2  PHE  48           HE2      PHE  48   2.843   6.642  -8.570
  361    HZ   PHE  48           HZ       PHE  48   2.822   8.496 -10.179
  362    H    LEU  49           H        LEU  49  -0.487   7.022  -4.822
  363    HA   LEU  49           HA       LEU  49  -0.698   5.893  -7.193
  364    HB2  LEU  49           HB3      LEU  49  -0.356   5.228  -4.751
  365    HB3  LEU  49           HB2      LEU  49  -2.081   4.840  -4.809
  366    HG   LEU  49           HG       LEU  49  -1.567   3.105  -6.573
  367   HD11  LEU  49          HD11      LEU  49   1.304   3.206  -6.111
  368   HD12  LEU  49          HD12      LEU  49   0.689   4.679  -6.853
  369   HD13  LEU  49          HD13      LEU  49   0.398   3.117  -7.630
  370   HD21  LEU  49          HD21      LEU  49  -1.400   1.810  -4.731
  371   HD22  LEU  49          HD22      LEU  49  -0.711   3.143  -3.816
  372   HD23  LEU  49          HD23      LEU  49   0.337   2.106  -4.792
  373    H    GLU  50           H        GLU  50  -3.201   6.383  -4.912
  374    HA   GLU  50           HA       GLU  50  -5.684   5.823  -6.121
  375    HB2  GLU  50           HB3      GLU  50  -5.315   8.336  -4.456
  376    HB3  GLU  50           HB2      GLU  50  -6.862   7.621  -4.889
  377    HG2  GLU  50           HG3      GLU  50  -6.395   5.724  -3.492
  378    HG3  GLU  50           HG2      GLU  50  -4.780   6.344  -3.119
  379    H    SER  51           H        SER  51  -4.095   8.545  -6.207
  380    HA   SER  51           HA       SER  51  -5.594  10.235  -7.986
  381    HB2  SER  51           HB3      SER  51  -2.574  10.430  -7.794
  382    HB3  SER  51           HB2      SER  51  -3.600  11.613  -8.605
  383    HG   SER  51           HG       SER  51  -3.595  10.913  -5.859
  384    H    HIS  52           H        HIS  52  -3.314   7.697  -8.716
  385    HA   HIS  52           HA       HIS  52  -3.992   7.985 -11.567
  386    HB2  HIS  52           HB3      HIS  52  -1.657   6.603 -10.320
  387    HB3  HIS  52           HB2      HIS  52  -1.972   6.463 -12.077
  388    HD1  HIS  52           HD1      HIS  52   0.393   7.596 -12.584
  389    HD2  HIS  52           HD2      HIS  52  -2.032   9.561  -9.933
  390    HE1  HIS  52           HE1      HIS  52   1.538   9.781 -12.245
  391    H    ASN  53           H        ASN  53  -3.576   5.482 -12.531
  392    HA   ASN  53           HA       ASN  53  -5.815   4.124 -11.295
  393    HB2  ASN  53           HB3      ASN  53  -4.564   3.674 -14.009
  394    HB3  ASN  53           HB2      ASN  53  -5.835   2.657 -13.348
  395   HD21  ASN  53          HD22      ASN  53  -5.352   5.065 -15.465
  396   HD22  ASN  53          HD21      ASN  53  -6.857   5.888 -15.328
  397    H    LYS  54           H        LYS  54  -3.563   3.905  -9.767
  398    HA   LYS  54           HA       LYS  54  -2.755   1.310 -10.335
  399    HB2  LYS  54           HB3      LYS  54  -1.484   3.188  -8.376
  400    HB3  LYS  54           HB2      LYS  54  -1.071   1.472  -8.513
  401    HG2  LYS  54           HG3      LYS  54  -1.019   3.395 -10.806
  402    HG3  LYS  54           HG2      LYS  54   0.399   2.898  -9.847
  403    HD2  LYS  54           HD3      LYS  54   0.186   0.644 -10.524
  404    HD3  LYS  54           HD2      LYS  54  -1.456   0.945 -11.102
  405    HE2  LYS  54           HE3      LYS  54  -0.955   2.081 -12.545
  406    HE3  LYS  54           HE2      LYS  54   0.812   2.379 -12.287
  407    HZ1  LYS  54           HZ1      LYS  54   0.686  -0.312 -12.607
  408    HZ2  LYS  54           HZ2      LYS  54   0.857   0.678 -13.960
  409    HZ3  LYS  54           HZ3      LYS  54  -0.675   0.110 -13.531
  410    H    LEU  55           H        LEU  55  -4.782   3.000  -8.240
  411    HA   LEU  55           HA       LEU  55  -5.417   0.587  -6.795
  412    HB2  LEU  55           HB3      LEU  55  -3.433   1.228  -5.595
  413    HB3  LEU  55           HB2      LEU  55  -4.013   2.853  -5.374
  414    HG   LEU  55           HG       LEU  55  -5.381   0.507  -4.053
  415   HD11  LEU  55          HD11      LEU  55  -3.895   1.974  -2.151
  416   HD12  LEU  55          HD12      LEU  55  -2.768   1.744  -3.478
  417   HD13  LEU  55          HD13      LEU  55  -3.501   0.348  -2.678
  418   HD21  LEU  55          HD21      LEU  55  -6.662   2.559  -3.963
  419   HD22  LEU  55          HD22      LEU  55  -5.271   3.474  -3.396
  420   HD23  LEU  55          HD23      LEU  55  -5.983   2.260  -2.354
  421    H    ASP  56           H        ASP  56  -7.282   0.606  -7.080
  422    HA   ASP  56           HA       ASP  56  -9.164   2.723  -6.740
  423    HB2  ASP  56           HB3      ASP  56  -9.582  -0.234  -7.118
  424    HB3  ASP  56           HB2      ASP  56 -10.872   0.967  -7.066
  425    H    LYS  57           H        LYS  57 -11.098   2.100  -5.446
  426    HA   LYS  57           HA       LYS  57 -10.379   1.911  -2.740
  427    HB2  LYS  57           HB3      LYS  57 -12.849   1.790  -2.286
  428    HB3  LYS  57           HB2      LYS  57 -12.265   3.226  -3.128
  429    HG2  LYS  57           HG3      LYS  57 -14.370   2.498  -4.087
  430    HG3  LYS  57           HG2      LYS  57 -13.000   2.291  -5.205
  431    HD2  LYS  57           HD3      LYS  57 -12.858  -0.002  -4.689
  432    HD3  LYS  57           HD2      LYS  57 -14.152   0.117  -3.497
  433    HE2  LYS  57           HE3      LYS  57 -14.492   0.601  -6.473
  434    HE3  LYS  57           HE2      LYS  57 -14.930  -0.894  -5.641
  435    HZ1  LYS  57           HZ1      LYS  57 -16.895   0.019  -5.394
  436    HZ2  LYS  57           HZ2      LYS  57 -16.390   1.550  -5.857
  437    HZ3  LYS  57           HZ3      LYS  57 -16.250   1.069  -4.244
  438    H    ASP  58           H        ASP  58 -11.206  -0.539  -5.052
  439    HA   ASP  58           HA       ASP  58 -11.455  -2.470  -2.942
  440    HB2  ASP  58           HB3      ASP  58 -12.531  -3.939  -4.612
  441    HB3  ASP  58           HB2      ASP  58 -13.364  -2.404  -4.443
  442    H    ASN  59           H        ASN  59  -9.660  -1.567  -5.633
  443    HA   ASN  59           HA       ASN  59  -8.187  -4.045  -5.687
  444    HB2  ASN  59           HB3      ASN  59  -7.899  -1.554  -7.323
  445    HB3  ASN  59           HB2      ASN  59  -6.850  -2.971  -7.508
  446   HD21  ASN  59          HD22      ASN  59  -9.789  -1.586  -8.209
  447   HD22  ASN  59          HD21      ASN  59 -10.584  -2.924  -8.943
  448    H    LEU  60           H        LEU  60  -6.578  -4.524  -4.909
  449    HA   LEU  60           HA       LEU  60  -4.829  -2.633  -3.496
  450    HB2  LEU  60           HB3      LEU  60  -4.748  -4.004  -1.494
  451    HB3  LEU  60           HB2      LEU  60  -6.389  -3.542  -1.849
  452    HG   LEU  60           HG       LEU  60  -5.191  -6.282  -2.299
  453   HD11  LEU  60          HD11      LEU  60  -5.686  -6.747  -0.227
  454   HD12  LEU  60          HD12      LEU  60  -7.362  -6.210  -0.438
  455   HD13  LEU  60          HD13      LEU  60  -6.116  -5.062   0.038
  456   HD21  LEU  60          HD21      LEU  60  -6.965  -6.787  -3.525
  457   HD22  LEU  60          HD22      LEU  60  -7.485  -5.103  -3.438
  458   HD23  LEU  60          HD23      LEU  60  -8.049  -6.275  -2.218
  459    H    SER  61           H        SER  61  -5.104  -5.483  -5.099
  460    HA   SER  61           HA       SER  61  -3.019  -7.067  -4.406
  461    HB2  SER  61           HB3      SER  61  -4.624  -7.872  -6.034
  462    HB3  SER  61           HB2      SER  61  -3.945  -6.845  -7.290
  463    HG   SER  61           HG       SER  61  -2.741  -9.025  -5.958
  464    H    TYR  62           H        TYR  62  -2.644  -4.381  -6.389
  465    HA   TYR  62           HA       TYR  62   0.138  -4.745  -7.082
  466    HB2  TYR  62           HB3      TYR  62  -0.862  -3.051  -8.363
  467    HB3  TYR  62           HB2      TYR  62  -1.526  -2.224  -6.967
  468    HD1  TYR  62           HD1      TYR  62   1.943  -3.427  -7.461
  469    HD2  TYR  62           HD2      TYR  62  -0.616  -0.100  -7.106
  470    HE1  TYR  62           HE1      TYR  62   3.930  -1.967  -7.246
  471    HE2  TYR  62           HE2      TYR  62   1.351   1.406  -6.944
  472    HH   TYR  62           HH       TYR  62   4.359   0.543  -7.814
  473    H    ILE  63           H        ILE  63  -1.363  -3.046  -4.396
  474    HA   ILE  63           HA       ILE  63   1.174  -2.417  -3.214
  475    HB   ILE  63           HB       ILE  63  -0.011  -1.205  -1.582
  476   HG12  ILE  63          HG13      ILE  63  -2.594  -2.584  -2.309
  477   HG13  ILE  63          HG12      ILE  63  -1.585  -3.185  -0.997
  478   HG21  ILE  63          HG21      ILE  63  -0.196  -0.423  -3.868
  479   HG22  ILE  63          HG22      ILE  63  -1.467   0.098  -2.721
  480   HG23  ILE  63          HG23      ILE  63  -1.794  -1.192  -3.893
  481   HD11  ILE  63          HD11      ILE  63  -2.895  -1.809   0.194
  482   HD12  ILE  63          HD12      ILE  63  -3.166  -0.709  -1.197
  483   HD13  ILE  63          HD13      ILE  63  -1.605  -0.726  -0.328
  484    H    GLU  64           H        GLU  64  -1.062  -4.934  -3.139
  485    HA   GLU  64           HA       GLU  64  -0.444  -6.198  -0.589
  486    HB2  GLU  64           HB3      GLU  64  -2.526  -6.774  -1.866
  487    HB3  GLU  64           HB2      GLU  64  -1.540  -7.389  -3.174
  488    HG2  GLU  64           HG3      GLU  64  -0.742  -9.188  -1.630
  489    HG3  GLU  64           HG2      GLU  64  -1.814  -8.545  -0.404
  490    H    HIS  65           H        HIS  65   0.614  -6.873  -3.922
  491    HA   HIS  65           HA       HIS  65   2.838  -8.526  -3.463
  492    HB2  HIS  65           HB3      HIS  65   1.798  -7.758  -5.647
  493    HB3  HIS  65           HB2      HIS  65   2.420  -6.166  -5.299
  494    HD1  HIS  65           HD1      HIS  65   3.769  -9.641  -5.947
  495    HD2  HIS  65           HD2      HIS  65   4.723  -5.649  -6.439
  496    HE1  HIS  65           HE1      HIS  65   5.990  -9.654  -7.142
  497    H    ILE  66           H        ILE  66   2.965  -5.161  -3.723
  498    HA   ILE  66           HA       ILE  66   5.478  -4.747  -3.108
  499    HB   ILE  66           HB       ILE  66   3.308  -3.065  -1.968
  500   HG12  ILE  66          HG13      ILE  66   3.143  -3.507  -4.166
  501   HG13  ILE  66          HG12      ILE  66   3.514  -1.771  -4.125
  502   HG21  ILE  66          HG21      ILE  66   5.198  -2.248  -0.775
  503   HG22  ILE  66          HG22      ILE  66   5.101  -1.154  -2.112
  504   HG23  ILE  66          HG23      ILE  66   6.282  -2.430  -2.141
  505   HD11  ILE  66          HD11      ILE  66   4.557  -3.739  -5.664
  506   HD12  ILE  66          HD12      ILE  66   5.827  -3.491  -4.445
  507   HD13  ILE  66          HD13      ILE  66   5.242  -2.133  -5.444
  508    H    PHE  67           H        PHE  67   2.931  -5.060  -0.489
  509    HA   PHE  67           HA       PHE  67   4.849  -4.841   1.377
  510    HB2  PHE  67           HB3      PHE  67   2.111  -6.041   1.577
  511    HB3  PHE  67           HB2      PHE  67   3.147  -5.590   2.928
  512    HD1  PHE  67           HD2      PHE  67   4.010  -3.076   2.825
  513    HD2  PHE  67           HD1      PHE  67   0.585  -4.598   0.895
  514    HE1  PHE  67           HE2      PHE  67   3.151  -0.785   2.582
  515    HE2  PHE  67           HE1      PHE  67  -0.289  -2.336   0.632
  516    HZ   PHE  67           HZ       PHE  67   0.979  -0.419   1.473
  517    H    GLU  68           H        GLU  68   3.922  -7.711  -0.612
  518    HA   GLU  68           HA       GLU  68   4.904  -9.643   1.273
  519    HB2  GLU  68           HB3      GLU  68   3.221 -10.121  -0.529
  520    HB3  GLU  68           HB2      GLU  68   4.446  -9.709  -1.721
  521    HG2  GLU  68           HG3      GLU  68   4.365 -12.048  -1.577
  522    HG3  GLU  68           HG2      GLU  68   5.838 -11.456  -0.744
  523    H    ILE  69           H        ILE  69   6.039  -8.259  -1.766
  524    HA   ILE  69           HA       ILE  69   8.429  -9.489  -1.654
  525    HB   ILE  69           HB       ILE  69   9.249  -7.980  -3.356
  526   HG12  ILE  69          HG13      ILE  69   6.648  -6.531  -2.918
  527   HG13  ILE  69          HG12      ILE  69   8.264  -5.892  -2.612
  528   HG21  ILE  69          HG21      ILE  69   7.910  -8.906  -4.962
  529   HG22  ILE  69          HG22      ILE  69   6.437  -8.569  -4.074
  530   HG23  ILE  69          HG23      ILE  69   7.477  -9.914  -3.574
  531   HD11  ILE  69          HD11      ILE  69   8.107  -6.957  -5.177
  532   HD12  ILE  69          HD12      ILE  69   8.497  -5.290  -4.731
  533   HD13  ILE  69          HD13      ILE  69   6.792  -5.777  -4.973
  534    H    SER  70           H        SER  70   7.627  -6.444  -0.256
  535    HA   SER  70           HA       SER  70  10.361  -5.838   0.487
  536    HB2  SER  70           HB3      SER  70   8.818  -4.014  -0.085
  537    HB3  SER  70           HB2      SER  70   7.734  -4.510   1.215
  538    HG   SER  70           HG       SER  70   8.931  -2.912   2.063
  539    H    ARG  71           H        ARG  71  11.132  -5.981   2.604
  540    HA   ARG  71           HA       ARG  71   9.969  -8.034   4.126
  541    HB2  ARG  71           HB3      ARG  71  12.427  -6.416   4.692
  542    HB3  ARG  71           HB2      ARG  71  11.852  -7.744   5.710
  543    HG2  ARG  71           HG3      ARG  71  12.524  -7.971   2.823
  544    HG3  ARG  71           HG2      ARG  71  13.589  -8.478   4.170
  545    HD2  ARG  71           HD3      ARG  71  10.830  -9.509   3.494
  546    HD3  ARG  71           HD2      ARG  71  12.337 -10.360   3.154
  547    HE   ARG  71           HE       ARG  71  12.159  -9.774   5.915
  548   HH11  ARG  71          HH11      ARG  71  10.834 -12.010   3.476
  549   HH12  ARG  71          HH12      ARG  71  10.300 -13.152   4.622
  550   HH21  ARG  71          HH22      ARG  71  11.461 -11.320   7.457
  551   HH22  ARG  71          HH21      ARG  71  10.676 -12.772   6.964
  552    H    ARG  72           H        ARG  72   8.093  -6.773   4.266
  553    HA   ARG  72           HA       ARG  72   7.712  -5.832   6.938
  554    HB2  ARG  72           HB3      ARG  72   7.291  -4.059   4.628
  555    HB3  ARG  72           HB2      ARG  72   5.998  -4.066   5.796
  556    HG2  ARG  72           HG3      ARG  72   8.879  -3.478   6.377
  557    HG3  ARG  72           HG2      ARG  72   7.580  -2.287   6.235
  558    HD2  ARG  72           HD3      ARG  72   6.348  -3.515   8.062
  559    HD3  ARG  72           HD2      ARG  72   7.801  -4.477   8.320
  560    HE   ARG  72           HE       ARG  72   8.457  -1.796   8.294
  561   HH11  ARG  72          HH11      ARG  72   6.790  -4.044  10.630
  562   HH12  ARG  72          HH12      ARG  72   7.128  -3.020  11.921
  563   HH21  ARG  72          HH22      ARG  72   8.744  -0.483  10.068
  564   HH22  ARG  72          HH21      ARG  72   8.263  -0.935  11.660
  565    HA   PRO  73           HA       PRO  73   4.525  -8.829   5.308
  566    HB2  PRO  73           HB2      PRO  73   5.208 -10.138   7.868
  567    HB3  PRO  73           HB3      PRO  73   4.972 -10.850   6.266
  568    HG2  PRO  73           HG3      PRO  73   7.393 -10.594   7.337
  569    HG3  PRO  73           HG2      PRO  73   7.127 -10.324   5.600
  570    HD2  PRO  73           HD3      PRO  73   7.473  -8.323   7.797
  571    HD3  PRO  73           HD2      PRO  73   8.123  -8.312   6.141
  572    H    ASP  74           H        ASP  74   5.035  -6.863   8.054
  573    HA   ASP  74           HA       ASP  74   2.692  -7.490   9.644
  574    HB2  ASP  74           HB3      ASP  74   4.161  -4.843   9.451
  575    HB3  ASP  74           HB2      ASP  74   3.057  -5.322  10.713
  576    H    LEU  75           H        LEU  75   3.572  -5.171   7.440
  577    HA   LEU  75           HA       LEU  75   1.083  -3.797   7.166
  578    HB2  LEU  75           HB3      LEU  75   3.442  -3.829   5.274
  579    HB3  LEU  75           HB2      LEU  75   2.030  -2.837   5.019
  580    HG   LEU  75           HG       LEU  75   2.560  -1.489   7.039
  581   HD11  LEU  75          HD11      LEU  75   4.968  -1.926   7.931
  582   HD12  LEU  75          HD12      LEU  75   4.546  -3.607   7.527
  583   HD13  LEU  75          HD13      LEU  75   3.539  -2.678   8.633
  584   HD21  LEU  75          HD21      LEU  75   4.085  -1.676   4.678
  585   HD22  LEU  75          HD22      LEU  75   5.181  -1.343   6.018
  586   HD23  LEU  75          HD23      LEU  75   3.821  -0.271   5.714
  587    H    LEU  76           H        LEU  76   2.657  -6.070   5.223
  588    HA   LEU  76           HA       LEU  76   0.768  -6.739   3.203
  589    HB2  LEU  76           HB3      LEU  76   2.895  -8.050   3.428
  590    HB3  LEU  76           HB2      LEU  76   2.067  -8.967   4.723
  591    HG   LEU  76           HG       LEU  76   0.293  -9.326   2.963
  592   HD11  LEU  76          HD11      LEU  76   1.028  -9.601   0.728
  593   HD12  LEU  76          HD12      LEU  76   2.439  -8.628   1.151
  594   HD13  LEU  76          HD13      LEU  76   0.813  -7.955   1.318
  595   HD21  LEU  76          HD21      LEU  76   2.639 -10.832   3.643
  596   HD22  LEU  76          HD22      LEU  76   2.079 -11.201   1.993
  597   HD23  LEU  76          HD23      LEU  76   0.961 -11.339   3.372
  598    H    THR  77           H        THR  77   1.087  -8.241   6.195
  599    HA   THR  77           HA       THR  77  -1.103  -9.842   6.503
  600    HB   THR  77           HB       THR  77   0.223  -8.157   8.538
  601    HG1  THR  77           HG1      THR  77   1.672  -9.664   7.853
  602   HG21  THR  77          HG21      THR  77  -1.929 -10.094   8.767
  603   HG22  THR  77          HG22      THR  77  -1.591  -8.579   9.620
  604   HG23  THR  77          HG23      THR  77  -0.685 -10.082  10.056
  605    H    MET  78           H        MET  78  -0.911  -6.483   7.274
  606    HA   MET  78           HA       MET  78  -3.567  -6.134   8.142
  607    HB2  MET  78           HB3      MET  78  -1.676  -4.116   6.958
  608    HB3  MET  78           HB2      MET  78  -3.239  -3.704   7.642
  609    HG2  MET  78           HG3      MET  78  -1.112  -5.179   9.071
  610    HG3  MET  78           HG2      MET  78  -1.305  -3.410   9.194
  611    HE1  MET  78           HE1      MET  78  -1.616  -3.484  11.887
  612    HE2  MET  78           HE2      MET  78  -1.103  -5.162  11.687
  613    HE3  MET  78           HE3      MET  78  -2.513  -4.795  12.664
  614    H    VAL  79           H        VAL  79  -2.141  -6.035   4.915
  615    HA   VAL  79           HA       VAL  79  -4.484  -5.160   3.560
  616    HB   VAL  79           HB       VAL  79  -2.042  -6.680   2.574
  617   HG11  VAL  79          HG11      VAL  79  -3.068  -6.778   0.641
  618   HG12  VAL  79          HG12      VAL  79  -2.926  -5.022   0.532
  619   HG13  VAL  79          HG13      VAL  79  -4.396  -5.767   1.190
  620   HG21  VAL  79          HG21      VAL  79  -1.683  -4.482   3.788
  621   HG22  VAL  79          HG22      VAL  79  -2.389  -3.699   2.364
  622   HG23  VAL  79          HG23      VAL  79  -0.930  -4.678   2.208
  623    H    VAL  80           H        VAL  80  -2.849  -8.285   4.014
  624    HA   VAL  80           HA       VAL  80  -4.661  -9.993   2.802
  625    HB   VAL  80           HB       VAL  80  -2.878 -10.528   5.239
  626   HG11  VAL  80          HG11      VAL  80  -4.670 -12.189   5.010
  627   HG12  VAL  80          HG12      VAL  80  -3.058 -12.860   4.755
  628   HG13  VAL  80          HG13      VAL  80  -4.118 -12.554   3.372
  629   HG21  VAL  80          HG21      VAL  80  -1.841 -11.750   2.918
  630   HG22  VAL  80          HG22      VAL  80  -1.191 -10.383   3.816
  631   HG23  VAL  80          HG23      VAL  80  -2.279 -10.092   2.473
  632    H    ASP  81           H        ASP  81  -4.417  -9.276   5.992
  633    HA   ASP  81           HA       ASP  81  -6.837 -10.370   6.870
  634    HB2  ASP  81           HB3      ASP  81  -5.244  -8.412   8.496
  635    HB3  ASP  81           HB2      ASP  81  -6.859  -8.854   9.031
  636    H    TYR  82           H        TYR  82  -6.332  -7.229   5.805
  637    HA   TYR  82           HA       TYR  82  -8.889  -6.038   6.164
  638    HB2  TYR  82           HB3      TYR  82  -7.134  -4.736   5.233
  639    HB3  TYR  82           HB2      TYR  82  -6.984  -5.838   3.862
  640    HD1  TYR  82           HD2      TYR  82  -9.539  -3.664   5.493
  641    HD2  TYR  82           HD1      TYR  82  -7.924  -5.342   1.972
  642    HE1  TYR  82           HE2      TYR  82 -11.082  -2.327   4.177
  643    HE2  TYR  82           HE1      TYR  82  -9.450  -4.042   0.603
  644    HH   TYR  82           HH       TYR  82 -11.034  -2.415   0.623
  645    H    ARG  83           H        ARG  83  -7.612  -7.933   3.465
  646    HA   ARG  83           HA       ARG  83  -9.880  -8.002   1.908
  647    HB2  ARG  83           HB3      ARG  83  -7.768  -8.339   1.002
  648    HB3  ARG  83           HB2      ARG  83  -7.366  -9.552   2.178
  649    HG2  ARG  83           HG3      ARG  83  -9.525 -10.184   0.348
  650    HG3  ARG  83           HG2      ARG  83  -7.877 -10.124  -0.365
  651    HD2  ARG  83           HD3      ARG  83  -7.334 -11.689   1.638
  652    HD3  ARG  83           HD2      ARG  83  -9.069 -11.929   1.767
  653    HE   ARG  83           HE       ARG  83  -8.955 -13.289  -0.018
  654   HH11  ARG  83          HH11      ARG  83  -6.040 -11.104  -0.214
  655   HH12  ARG  83          HH12      ARG  83  -5.499 -11.630  -1.693
  656   HH21  ARG  83          HH22      ARG  83  -8.152 -14.070  -2.176
  657   HH22  ARG  83          HH21      ARG  83  -6.774 -13.431  -2.865
  658    H    THR  84           H        THR  84  -8.733 -10.196   4.075
  659    HA   THR  84           HA       THR  84 -10.911 -12.042   3.982
  660    HB   THR  84           HB       THR  84  -9.058 -11.519   6.269
  661    HG1  THR  84           HG1      THR  84  -8.836 -13.469   4.148
  662   HG21  THR  84          HG21      THR  84  -9.532 -13.762   6.888
  663   HG22  THR  84          HG22      THR  84 -10.598 -13.875   5.442
  664   HG23  THR  84          HG23      THR  84 -10.991 -12.718   6.756
  665    H    ARG  85           H        ARG  85 -10.213 -10.013   6.396
  666    HA   ARG  85           HA       ARG  85 -12.375  -9.995   8.034
  667    HB2  ARG  85           HB3      ARG  85 -11.936  -7.843   9.181
  668    HB3  ARG  85           HB2      ARG  85 -10.437  -8.663   8.837
  669    HG2  ARG  85           HG3      ARG  85 -10.124  -7.119   6.875
  670    HG3  ARG  85           HG2      ARG  85 -11.570  -6.258   7.392
  671    HD2  ARG  85           HD3      ARG  85 -10.595  -5.828   9.507
  672    HD3  ARG  85           HD2      ARG  85  -9.133  -6.733   9.051
  673    HE   ARG  85           HE       ARG  85  -9.591  -4.595   7.207
  674   HH11  ARG  85          HH11      ARG  85  -8.348  -5.143  10.493
  675   HH12  ARG  85          HH12      ARG  85  -7.498  -3.678  10.576
  676   HH21  ARG  85          HH22      ARG  85  -8.267  -2.480   7.351
  677   HH22  ARG  85          HH21      ARG  85  -7.396  -2.204   8.786
  678    H    VAL  86           H        VAL  86 -11.947  -7.783   5.712
  679    HA   VAL  86           HA       VAL  86 -14.473  -6.638   5.782
  680    HB   VAL  86           HB       VAL  86 -12.509  -6.507   3.517
  681   HG11  VAL  86          HG11      VAL  86 -14.126  -4.328   3.084
  682   HG12  VAL  86          HG12      VAL  86 -15.328  -5.503   3.636
  683   HG13  VAL  86          HG13      VAL  86 -14.328  -5.845   2.205
  684   HG21  VAL  86          HG21      VAL  86 -12.783  -4.013   4.491
  685   HG22  VAL  86          HG22      VAL  86 -11.634  -5.197   5.094
  686   HG23  VAL  86          HG23      VAL  86 -13.190  -4.956   5.917
  687    H    LEU  87           H        LEU  87 -13.260  -9.360   3.996
  688    HA   LEU  87           HA       LEU  87 -15.375 -10.043   2.270
  689    HB2  LEU  87           HB3      LEU  87 -13.013 -10.874   2.388
  690    HB3  LEU  87           HB2      LEU  87 -13.402 -11.662   3.890
  691    HG   LEU  87           HG       LEU  87 -13.092 -13.266   2.194
  692   HD11  LEU  87          HD11      LEU  87 -14.549 -14.224   3.453
  693   HD12  LEU  87          HD12      LEU  87 -15.461 -14.237   1.925
  694   HD13  LEU  87          HD13      LEU  87 -15.808 -13.008   3.180
  695   HD21  LEU  87          HD21      LEU  87 -13.260 -12.498   0.165
  696   HD22  LEU  87          HD22      LEU  87 -14.581 -11.405   0.545
  697   HD23  LEU  87          HD23      LEU  87 -14.927 -13.124   0.219
  698    H    LYS  88           H        LYS  88 -14.498 -10.920   5.539
  699    HA   LYS  88           HA       LYS  88 -16.633 -12.516   6.290
  700    HB2  LYS  88           HB3      LYS  88 -14.518 -12.354   7.583
  701    HB3  LYS  88           HB2      LYS  88 -14.976 -10.737   8.091
  702    HG2  LYS  88           HG3      LYS  88 -15.334 -12.290   9.915
  703    HG3  LYS  88           HG2      LYS  88 -16.884 -11.691   9.339
  704    HD2  LYS  88           HD3      LYS  88 -17.203 -13.754   8.056
  705    HD3  LYS  88           HD2      LYS  88 -15.647 -14.360   8.628
  706    HE2  LYS  88           HE3      LYS  88 -18.079 -13.730  10.323
  707    HE3  LYS  88           HE2      LYS  88 -17.466 -15.325   9.929
  708    HZ1  LYS  88           HZ1      LYS  88 -15.556 -14.992  11.329
  709    HZ2  LYS  88           HZ2      LYS  88 -16.882 -14.404  12.189
  710    HZ3  LYS  88           HZ3      LYS  88 -15.813 -13.348  11.430
  711    H    ILE  89           H        ILE  89 -16.292  -9.007   6.492
  712    HA   ILE  89           HA       ILE  89 -18.633  -8.533   8.015
  713    HB   ILE  89           HB       ILE  89 -16.837  -6.846   6.312
  714   HG12  ILE  89          HG13      ILE  89 -17.006  -7.060   9.321
  715   HG13  ILE  89          HG12      ILE  89 -15.736  -7.739   8.302
  716   HG21  ILE  89          HG21      ILE  89 -18.733  -5.761   6.234
  717   HG22  ILE  89          HG22      ILE  89 -17.843  -4.924   7.531
  718   HG23  ILE  89          HG23      ILE  89 -19.185  -6.052   7.925
  719   HD11  ILE  89          HD11      ILE  89 -14.710  -5.811   9.033
  720   HD12  ILE  89          HD12      ILE  89 -16.227  -4.917   9.086
  721   HD13  ILE  89          HD13      ILE  89 -15.450  -5.233   7.540
  722    H    SER  90           H        SER  90 -17.678  -7.914   4.644
  723    HA   SER  90           HA       SER  90 -20.412  -7.374   3.890
  724    HB2  SER  90           HB3      SER  90 -17.859  -7.313   2.279
  725    HB3  SER  90           HB2      SER  90 -19.438  -6.705   1.758
  726    HG   SER  90           HG       SER  90 -19.007  -5.671   4.108
  Start of MODEL    4
    1    H1   MET   1           H        MET   1 -15.927   1.368   0.130
    2    H2   MET   1           H2       MET   1 -15.291   0.411   1.331
    3    H3   MET   1           H3       MET   1 -16.148   1.810   1.744
    4    HA   MET   1           HA       MET   1 -13.482   1.546   0.451
    5    HB2  MET   1           HB3      MET   1 -15.003   4.141   0.789
    6    HB3  MET   1           HB2      MET   1 -13.342   3.993   0.273
    7    HG2  MET   1           HG3      MET   1 -14.114   2.806  -1.741
    8    HG3  MET   1           HG2      MET   1 -15.784   3.099  -1.242
    9    HE1  MET   1           HE1      MET   1 -16.271   5.465  -0.213
   10    HE2  MET   1           HE2      MET   1 -16.501   6.620  -1.529
   11    HE3  MET   1           HE3      MET   1 -15.162   6.813  -0.405
   12    H    ALA   2           H        ALA   2 -15.287   2.673   3.051
   13    HA   ALA   2           HA       ALA   2 -13.210   4.118   4.265
   14    HB1  ALA   2           HB1      ALA   2 -14.900   3.086   6.389
   15    HB2  ALA   2           HB2      ALA   2 -15.860   3.655   5.035
   16    HB3  ALA   2           HB3      ALA   2 -14.714   4.743   5.821
   17    H    GLU   3           H        GLU   3 -14.104   1.022   5.506
   18    HA   GLU   3           HA       GLU   3 -11.876   0.902   7.045
   19    HB2  GLU   3           HB3      GLU   3 -12.867  -1.703   5.845
   20    HB3  GLU   3           HB2      GLU   3 -11.812  -1.537   7.256
   21    HG2  GLU   3           HG3      GLU   3 -13.729  -0.147   8.241
   22    HG3  GLU   3           HG2      GLU   3 -14.669  -0.862   6.911
   23    H    TYR   4           H        TYR   4 -12.002   0.256   3.932
   24    HA   TYR   4           HA       TYR   4  -9.357  -0.636   3.373
   25    HB2  TYR   4           HB3      TYR   4 -10.873  -0.580   1.439
   26    HB3  TYR   4           HB2      TYR   4 -10.799   1.209   1.386
   27    HD1  TYR   4           HD1      TYR   4  -8.395  -1.624   1.640
   28    HD2  TYR   4           HD2      TYR   4  -9.536   1.832  -0.647
   29    HE1  TYR   4           HE1      TYR   4  -6.497  -1.982   0.163
   30    HE2  TYR   4           HE2      TYR   4  -7.606   1.471  -2.093
   31    HH   TYR   4           HH       TYR   4  -6.090  -0.620  -2.767
   32    H    GLY   5           H        GLY   5 -10.757   2.476   3.449
   33    HA2  GLY   5           HA3      GLY   5  -8.602   4.309   3.197
   34    HA3  GLY   5           HA2      GLY   5 -10.003   4.667   4.201
   35    H    THR   6           H        THR   6  -9.765   2.873   6.321
   36    HA   THR   6           HA       THR   6  -7.606   3.850   7.878
   37    HB   THR   6           HB       THR   6  -9.367   1.470   8.237
   38    HG1  THR   6           HG1      THR   6  -9.730   4.248   8.881
   39   HG21  THR   6          HG21      THR   6  -8.988   1.877  10.596
   40   HG22  THR   6          HG22      THR   6  -8.043   3.325  10.167
   41   HG23  THR   6          HG23      THR   6  -7.455   1.720   9.694
   42    H    LEU   7           H        LEU   7  -8.278   0.886   6.344
   43    HA   LEU   7           HA       LEU   7  -6.096  -0.783   6.903
   44    HB2  LEU   7           HB3      LEU   7  -7.885  -1.478   5.521
   45    HB3  LEU   7           HB2      LEU   7  -7.435  -0.345   4.284
   46    HG   LEU   7           HG       LEU   7  -7.096  -2.777   4.083
   47   HD11  LEU   7          HD11      LEU   7  -5.081  -2.444   2.606
   48   HD12  LEU   7          HD12      LEU   7  -4.824  -0.875   3.399
   49   HD13  LEU   7          HD13      LEU   7  -6.303  -1.173   2.451
   50   HD21  LEU   7          HD21      LEU   7  -4.859  -3.623   4.698
   51   HD22  LEU   7          HD22      LEU   7  -5.896  -3.242   6.075
   52   HD23  LEU   7          HD23      LEU   7  -4.620  -2.130   5.608
   53    H    LEU   8           H        LEU   8  -6.111   1.331   4.376
   54    HA   LEU   8           HA       LEU   8  -3.305   1.432   3.679
   55    HB2  LEU   8           HB3      LEU   8  -5.261   3.710   3.370
   56    HB3  LEU   8           HB2      LEU   8  -3.569   3.790   2.918
   57    HG   LEU   8           HG       LEU   8  -3.849   2.250   1.129
   58   HD11  LEU   8          HD11      LEU   8  -5.450   0.757   2.339
   59   HD12  LEU   8          HD12      LEU   8  -5.801   1.033   0.643
   60   HD13  LEU   8          HD13      LEU   8  -6.727   1.872   1.883
   61   HD21  LEU   8          HD21      LEU   8  -4.518   4.513   0.671
   62   HD22  LEU   8          HD22      LEU   8  -6.176   4.161   1.163
   63   HD23  LEU   8          HD23      LEU   8  -5.497   3.389  -0.270
   64    H    GLN   9           H        GLN   9  -5.098   3.237   5.972
   65    HA   GLN   9           HA       GLN   9  -3.024   4.881   6.930
   66    HB2  GLN   9           HB3      GLN   9  -5.128   5.792   6.879
   67    HB3  GLN   9           HB2      GLN   9  -5.853   4.340   7.556
   68    HG2  GLN   9           HG3      GLN   9  -5.354   4.714   9.433
   69    HG3  GLN   9           HG2      GLN   9  -3.960   5.870   9.237
   70   HE21  GLN   9          HE22      GLN   9  -4.596   8.026   9.163
   71   HE22  GLN   9          HE21      GLN   9  -6.197   8.590   9.409
   72    H    ASP  10           H        ASP  10  -4.009   1.955   7.705
   73    HA   ASP  10           HA       ASP  10  -2.898   1.807  10.419
   74    HB2  ASP  10           HB3      ASP  10  -4.268  -0.493   9.088
   75    HB3  ASP  10           HB2      ASP  10  -3.196  -0.735  10.463
   76    H    LEU  11           H        LEU  11  -1.935   0.800   7.236
   77    HA   LEU  11           HA       LEU  11   0.422  -0.322   8.303
   78    HB2  LEU  11           HB3      LEU  11   1.062  -0.725   6.045
   79    HB3  LEU  11           HB2      LEU  11  -0.511  -1.464   6.378
   80    HG   LEU  11           HG       LEU  11  -1.340   0.701   5.208
   81   HD11  LEU  11          HD11      LEU  11   1.352   1.106   5.155
   82   HD12  LEU  11          HD12      LEU  11   0.138   1.989   4.227
   83   HD13  LEU  11          HD13      LEU  11   0.998   0.625   3.496
   84   HD21  LEU  11          HD21      LEU  11  -0.327  -0.904   3.060
   85   HD22  LEU  11          HD22      LEU  11  -1.960  -0.819   3.707
   86   HD23  LEU  11          HD23      LEU  11  -0.813  -1.958   4.395
   87    H    THR  12           H        THR  12  -0.801   2.517   7.103
   88    HA   THR  12           HA       THR  12   1.544   4.074   6.649
   89    HB   THR  12           HB       THR  12  -1.327   4.726   7.164
   90    HG1  THR  12           HG1      THR  12  -1.039   3.961   5.184
   91   HG21  THR  12          HG21      THR  12  -0.912   6.804   7.526
   92   HG22  THR  12          HG22      THR  12  -0.085   6.836   5.942
   93   HG23  THR  12          HG23      THR  12   0.850   6.454   7.454
   94    H    ASN  13           H        ASN  13  -0.415   3.406   9.507
   95    HA   ASN  13           HA       ASN  13   0.946   5.161  11.299
   96    HB2  ASN  13           HB3      ASN  13  -0.496   2.567  11.977
   97    HB3  ASN  13           HB2      ASN  13   0.135   3.699  13.159
   98   HD21  ASN  13          HD22      ASN  13  -2.678   2.666  11.992
   99   HD22  ASN  13          HD21      ASN  13  -3.579   4.116  12.006
  100    H    ASN  14           H        ASN  14   1.558   1.950  10.188
  101    HA   ASN  14           HA       ASN  14   3.912   1.759  11.924
  102    HB2  ASN  14           HB3      ASN  14   2.641  -0.278  10.067
  103    HB3  ASN  14           HB2      ASN  14   4.086  -0.563  11.018
  104   HD21  ASN  14          HD22      ASN  14   0.746  -0.775  11.072
  105   HD22  ASN  14          HD21      ASN  14   0.557  -0.956  12.782
  106    H    ILE  15           H        ILE  15   3.383   3.272   9.247
  107    HA   ILE  15           HA       ILE  15   5.623   2.355   7.775
  108    HB   ILE  15           HB       ILE  15   3.379   4.153   7.164
  109   HG12  ILE  15          HG13      ILE  15   3.465   1.825   6.466
  110   HG13  ILE  15          HG12      ILE  15   3.305   2.942   5.107
  111   HG21  ILE  15          HG21      ILE  15   4.972   4.538   4.989
  112   HG22  ILE  15          HG22      ILE  15   5.989   4.981   6.373
  113   HG23  ILE  15          HG23      ILE  15   4.402   5.752   6.131
  114   HD11  ILE  15          HD11      ILE  15   6.039   2.012   5.897
  115   HD12  ILE  15          HD12      ILE  15   5.411   2.526   4.332
  116   HD13  ILE  15          HD13      ILE  15   4.984   0.937   4.964
  117    H    THR  16           H        THR  16   7.611   2.915   8.238
  118    HA   THR  16           HA       THR  16   8.216   5.518   9.259
  119    HB   THR  16           HB       THR  16  10.484   4.734   9.418
  120    HG1  THR  16           HG1      THR  16   9.816   2.087   8.847
  121   HG21  THR  16          HG21      THR  16   8.794   2.580  10.467
  122   HG22  THR  16          HG22      THR  16   8.757   4.245  11.114
  123   HG23  THR  16          HG23      THR  16  10.278   3.325  11.178
  124    H    LEU  17           H        LEU  17   9.599   6.583   8.183
  125    HA   LEU  17           HA       LEU  17   9.410   6.927   5.353
  126    HB2  LEU  17           HB3      LEU  17  11.880   7.665   6.941
  127    HB3  LEU  17           HB2      LEU  17  11.653   8.076   5.267
  128    HG   LEU  17           HG       LEU  17   9.911   9.103   7.508
  129   HD11  LEU  17          HD11      LEU  17  11.044  11.256   6.496
  130   HD12  LEU  17          HD12      LEU  17  12.319  10.109   6.071
  131   HD13  LEU  17          HD13      LEU  17  11.848  10.333   7.757
  132   HD21  LEU  17          HD21      LEU  17   8.782  10.301   5.868
  133   HD22  LEU  17          HD22      LEU  17   8.957   8.673   5.207
  134   HD23  LEU  17          HD23      LEU  17  10.019   9.934   4.644
  135    H    GLU  18           H        GLU  18  11.812   5.203   7.151
  136    HA   GLU  18           HA       GLU  18  13.255   4.194   5.006
  137    HB2  GLU  18           HB3      GLU  18  12.909   2.917   7.730
  138    HB3  GLU  18           HB2      GLU  18  14.140   2.474   6.566
  139    HG2  GLU  18           HG3      GLU  18  15.188   3.823   8.211
  140    HG3  GLU  18           HG2      GLU  18  15.079   4.787   6.765
  141    H    ASP  19           H        ASP  19  10.792   2.704   6.814
  142    HA   ASP  19           HA       ASP  19  10.576   0.338   5.351
  143    HB2  ASP  19           HB3      ASP  19   8.389   1.659   6.995
  144    HB3  ASP  19           HB2      ASP  19   8.086   0.105   6.181
  145    H    LEU  20           H        LEU  20   8.526   3.170   4.845
  146    HA   LEU  20           HA       LEU  20   7.521   2.467   2.421
  147    HB2  LEU  20           HB3      LEU  20   8.299   5.107   3.368
  148    HB3  LEU  20           HB2      LEU  20   7.877   4.937   1.683
  149    HG   LEU  20           HG       LEU  20   6.113   4.226   4.002
  150   HD11  LEU  20          HD11      LEU  20   6.752   6.641   2.503
  151   HD12  LEU  20          HD12      LEU  20   5.742   6.458   3.942
  152   HD13  LEU  20          HD13      LEU  20   5.059   6.199   2.341
  153   HD21  LEU  20          HD21      LEU  20   6.040   3.737   1.100
  154   HD22  LEU  20          HD22      LEU  20   4.543   4.364   1.777
  155   HD23  LEU  20          HD23      LEU  20   5.241   2.850   2.383
  156    H    GLU  21           H        GLU  21  10.635   3.855   2.902
  157    HA   GLU  21           HA       GLU  21  11.089   4.000   0.158
  158    HB2  GLU  21           HB3      GLU  21  13.204   3.980   2.298
  159    HB3  GLU  21           HB2      GLU  21  13.548   4.261   0.591
  160    HG2  GLU  21           HG3      GLU  21  11.857   6.125   0.707
  161    HG3  GLU  21           HG2      GLU  21  11.930   5.958   2.459
  162    H    GLN  22           H        GLN  22  11.478   1.608   2.236
  163    HA   GLN  22           HA       GLN  22  12.714  -0.258   0.411
  164    HB2  GLN  22           HB3      GLN  22  12.777  -0.853   2.783
  165    HB3  GLN  22           HB2      GLN  22  11.014  -0.974   2.770
  166    HG2  GLN  22           HG3      GLN  22  11.091  -2.826   1.236
  167    HG3  GLN  22           HG2      GLN  22  12.849  -2.678   1.124
  168   HE21  GLN  22          HE22      GLN  22  13.697  -4.280   2.045
  169   HE22  GLN  22          HE21      GLN  22  13.280  -4.945   3.594
  170    H    LEU  23           H        LEU  23   9.213   0.346   1.201
  171    HA   LEU  23           HA       LEU  23   8.305  -1.524  -0.523
  172    HB2  LEU  23           HB3      LEU  23   7.178   1.150   0.404
  173    HB3  LEU  23           HB2      LEU  23   6.225  -0.076  -0.418
  174    HG   LEU  23           HG       LEU  23   7.526  -0.350   2.277
  175   HD11  LEU  23          HD11      LEU  23   5.071  -0.344   2.962
  176   HD12  LEU  23          HD12      LEU  23   4.750   0.372   1.385
  177   HD13  LEU  23          HD13      LEU  23   5.799   1.192   2.536
  178   HD21  LEU  23          HD21      LEU  23   5.341  -2.085   1.338
  179   HD22  LEU  23          HD22      LEU  23   6.657  -2.443   2.448
  180   HD23  LEU  23          HD23      LEU  23   6.963  -2.403   0.714
  181    H    LYS  24           H        LYS  24   9.145   1.671  -0.865
  182    HA   LYS  24           HA       LYS  24   8.460   2.213  -3.646
  183    HB2  LYS  24           HB3      LYS  24  10.909   3.481  -2.360
  184    HB3  LYS  24           HB2      LYS  24  10.101   4.036  -3.795
  185    HG2  LYS  24           HG3      LYS  24   8.106   4.533  -2.425
  186    HG3  LYS  24           HG2      LYS  24   9.041   4.109  -0.987
  187    HD2  LYS  24           HD3      LYS  24   9.636   6.318  -2.968
  188    HD3  LYS  24           HD2      LYS  24   9.076   6.515  -1.315
  189    HE2  LYS  24           HE3      LYS  24  11.190   5.571  -0.497
  190    HE3  LYS  24           HE2      LYS  24  11.733   5.335  -2.162
  191    HZ1  LYS  24           HZ1      LYS  24  10.949   8.049  -1.407
  192    HZ2  LYS  24           HZ2      LYS  24  12.206   7.515  -2.388
  193    HZ3  LYS  24           HZ3      LYS  24  12.398   7.465  -0.727
  194    H    SER  25           H        SER  25  11.087   1.311  -2.330
  195    HA   SER  25           HA       SER  25  12.976   0.776  -4.453
  196    HB2  SER  25           HB3      SER  25  13.044  -0.928  -1.926
  197    HB3  SER  25           HB2      SER  25  14.340  -0.839  -3.138
  198    HG   SER  25           HG       SER  25  13.345   1.239  -1.506
  199    H    ALA  26           H        ALA  26  10.934  -1.308  -2.920
  200    HA   ALA  26           HA       ALA  26  11.085  -3.487  -4.779
  201    HB1  ALA  26           HB1      ALA  26   9.706  -3.079  -2.397
  202    HB2  ALA  26           HB2      ALA  26   9.695  -4.541  -3.389
  203    HB3  ALA  26           HB3      ALA  26   8.447  -3.310  -3.613
  204    H    CYS  27           H        CYS  27   8.765  -0.762  -4.476
  205    HA   CYS  27           HA       CYS  27   7.388  -1.392  -6.824
  206    HB2  CYS  27           HB3      CYS  27   7.527   1.241  -5.400
  207    HB3  CYS  27           HB2      CYS  27   6.380   0.688  -6.623
  208    HG   CYS  27           HG       CYS  27   6.709  -0.543  -3.477
  209    H    LYS  28           H        LYS  28  10.484  -0.254  -6.731
  210    HA   LYS  28           HA       LYS  28  10.498   2.151  -7.905
  211    HB2  LYS  28           HB3      LYS  28  12.819   1.797  -8.628
  212    HB3  LYS  28           HB2      LYS  28  12.501   0.996  -7.088
  213    HG2  LYS  28           HG3      LYS  28  12.404  -1.130  -8.085
  214    HG3  LYS  28           HG2      LYS  28  12.479  -0.454  -9.706
  215    HD2  LYS  28           HD3      LYS  28  14.763   0.423  -9.170
  216    HD3  LYS  28           HD2      LYS  28  14.653  -0.426  -7.613
  217    HE2  LYS  28           HE3      LYS  28  14.478  -2.540  -8.716
  218    HE3  LYS  28           HE2      LYS  28  14.457  -1.758 -10.306
  219    HZ1  LYS  28           HZ1      LYS  28  16.663  -1.154 -10.092
  220    HZ2  LYS  28           HZ2      LYS  28  16.624  -2.751  -9.626
  221    HZ3  LYS  28           HZ3      LYS  28  16.791  -1.577  -8.446
  222    H    GLU  29           H        GLU  29  10.192  -0.852  -9.588
  223    HA   GLU  29           HA       GLU  29  10.316   0.279 -12.147
  224    HB2  GLU  29           HB3      GLU  29   9.242  -2.384 -11.304
  225    HB3  GLU  29           HB2      GLU  29   9.589  -1.863 -12.962
  226    HG2  GLU  29           HG3      GLU  29  11.574  -1.934 -10.761
  227    HG3  GLU  29           HG2      GLU  29  11.391  -3.273 -11.918
  228    H    ASP  30           H        ASP  30   7.677  -0.552  -9.934
  229    HA   ASP  30           HA       ASP  30   5.628  -0.191 -11.902
  230    HB2  ASP  30           HB3      ASP  30   5.401  -0.746  -8.951
  231    HB3  ASP  30           HB2      ASP  30   4.042  -0.648 -10.046
  232    H    ILE  31           H        ILE  31   6.585   1.648  -9.050
  233    HA   ILE  31           HA       ILE  31   4.575   3.625  -9.790
  234    HB   ILE  31           HB       ILE  31   4.746   2.736  -7.404
  235   HG12  ILE  31          HG13      ILE  31   3.735   4.971  -7.778
  236   HG13  ILE  31          HG12      ILE  31   4.450   4.781  -6.178
  237   HG21  ILE  31          HG21      ILE  31   7.017   2.460  -7.092
  238   HG22  ILE  31          HG22      ILE  31   6.450   3.709  -5.960
  239   HG23  ILE  31          HG23      ILE  31   7.343   4.171  -7.410
  240   HD11  ILE  31          HD11      ILE  31   4.831   6.943  -7.821
  241   HD12  ILE  31          HD12      ILE  31   6.233   5.905  -8.163
  242   HD13  ILE  31          HD13      ILE  31   5.872   6.431  -6.497
  243    HA   PRO  32           HA       PRO  32   7.607   5.563 -11.978
  244    HB2  PRO  32           HB2      PRO  32   6.744   8.241 -12.005
  245    HB3  PRO  32           HB3      PRO  32   6.270   6.918 -13.101
  246    HG2  PRO  32           HG3      PRO  32   4.881   7.976 -10.727
  247    HG3  PRO  32           HG2      PRO  32   4.244   7.363 -12.260
  248    HD2  PRO  32           HD3      PRO  32   4.241   6.022  -9.967
  249    HD3  PRO  32           HD2      PRO  32   4.298   5.212 -11.562
  250    H    SER  33           H        SER  33   9.382   6.471 -11.806
  251    HA   SER  33           HA       SER  33  10.861   6.847  -9.430
  252    HB2  SER  33           HB3      SER  33  12.012   6.504 -11.610
  253    HB3  SER  33           HB2      SER  33  11.552   8.144 -12.103
  254    HG   SER  33           HG       SER  33  12.995   7.809  -9.731
  255    H    GLU  34           H        GLU  34   9.798   9.246 -11.500
  256    HA   GLU  34           HA       GLU  34  10.217  11.710 -10.338
  257    HB2  GLU  34           HB3      GLU  34   8.908  11.447 -12.446
  258    HB3  GLU  34           HB2      GLU  34   7.487  11.024 -11.489
  259    HG2  GLU  34           HG3      GLU  34   7.685  13.273 -10.417
  260    HG3  GLU  34           HG2      GLU  34   8.891  13.677 -11.634
  261    H    LYS  35           H        LYS  35   7.686   9.762  -9.813
  262    HA   LYS  35           HA       LYS  35   6.419  11.202  -7.673
  263    HB2  LYS  35           HB3      LYS  35   5.754   8.555  -8.892
  264    HB3  LYS  35           HB2      LYS  35   4.762   9.337  -7.653
  265    HG2  LYS  35           HG3      LYS  35   5.522  10.613 -10.254
  266    HG3  LYS  35           HG2      LYS  35   4.016   9.705  -9.949
  267    HD2  LYS  35           HD3      LYS  35   3.470  11.166  -8.129
  268    HD3  LYS  35           HD2      LYS  35   4.964  12.069  -8.300
  269    HE2  LYS  35           HE3      LYS  35   2.778  11.964 -10.383
  270    HE3  LYS  35           HE2      LYS  35   2.955  13.253  -9.204
  271    HZ1  LYS  35           HZ1      LYS  35   4.633  12.682 -11.584
  272    HZ2  LYS  35           HZ2      LYS  35   5.338  13.389 -10.212
  273    HZ3  LYS  35           HZ3      LYS  35   4.057  14.147 -10.921
  274    H    SER  36           H        SER  36   7.987   8.000  -7.658
  275    HA   SER  36           HA       SER  36   7.756   7.350  -5.073
  276    HB2  SER  36           HB3      SER  36   8.705   5.945  -6.721
  277    HB3  SER  36           HB2      SER  36  10.104   6.997  -6.959
  278    HG   SER  36           HG       SER  36  10.969   5.733  -5.544
  279    H    GLU  37           H        GLU  37   9.588   9.677  -6.295
  280    HA   GLU  37           HA       GLU  37  11.469  10.184  -4.211
  281    HB2  GLU  37           HB3      GLU  37  10.492  12.252  -6.156
  282    HB3  GLU  37           HB2      GLU  37  11.796  12.487  -4.992
  283    HG2  GLU  37           HG3      GLU  37  11.737  10.344  -7.062
  284    HG3  GLU  37           HG2      GLU  37  12.584  11.889  -7.278
  285    H    GLU  38           H        GLU  38   8.245  11.917  -4.654
  286    HA   GLU  38           HA       GLU  38   8.571  13.142  -2.203
  287    HB2  GLU  38           HB3      GLU  38   6.323  13.944  -2.736
  288    HB3  GLU  38           HB2      GLU  38   7.441  14.169  -4.071
  289    HG2  GLU  38           HG3      GLU  38   6.532  12.185  -5.167
  290    HG3  GLU  38           HG2      GLU  38   5.414  11.921  -3.869
  291    H    ILE  39           H        ILE  39   8.229  10.059  -2.353
  292    HA   ILE  39           HA       ILE  39   5.813   9.819  -0.846
  293    HB   ILE  39           HB       ILE  39   7.595   7.681  -2.006
  294   HG12  ILE  39          HG13      ILE  39   4.766   8.597  -2.603
  295   HG13  ILE  39          HG12      ILE  39   6.204   8.994  -3.543
  296   HG21  ILE  39          HG21      ILE  39   5.568   6.194  -1.428
  297   HG22  ILE  39          HG22      ILE  39   5.265   7.349  -0.115
  298   HG23  ILE  39          HG23      ILE  39   6.786   6.455  -0.189
  299   HD11  ILE  39          HD11      ILE  39   5.145   6.275  -3.032
  300   HD12  ILE  39          HD12      ILE  39   6.444   6.718  -4.150
  301   HD13  ILE  39          HD13      ILE  39   4.786   7.308  -4.437
  302    H    THR  40           H        THR  40   6.938  11.270   0.606
  303    HA   THR  40           HA       THR  40   8.430   9.923   2.711
  304    HB   THR  40           HB       THR  40   9.349  12.007   2.194
  305    HG1  THR  40           HG1      THR  40   7.985  11.960   4.587
  306   HG21  THR  40          HG21      THR  40   8.048  14.134   2.152
  307   HG22  THR  40          HG22      THR  40   6.575  13.192   2.432
  308   HG23  THR  40          HG23      THR  40   7.509  12.949   0.964
  309    H    THR  41           H        THR  41   5.506   9.527   2.205
  310    HA   THR  41           HA       THR  41   4.940   8.976   4.822
  311    HB   THR  41           HB       THR  41   4.305  11.160   5.115
  312    HG1  THR  41           HG1      THR  41   2.486  10.796   6.139
  313   HG21  THR  41          HG21      THR  41   2.553  10.896   2.712
  314   HG22  THR  41          HG22      THR  41   3.748  12.136   3.072
  315   HG23  THR  41          HG23      THR  41   2.212  12.123   3.936
  316    H    GLY  42           H        GLY  42   3.286   7.688   5.162
  317    HA2  GLY  42           HA3      GLY  42   3.106   5.780   3.066
  318    HA3  GLY  42           HA2      GLY  42   2.082   5.682   4.512
  319    H    SER  43           H        SER  43   0.481   7.998   4.375
  320    HA   SER  43           HA       SER  43  -1.389   7.455   2.622
  321    HB2  SER  43           HB3      SER  43  -0.529  10.102   3.787
  322    HB3  SER  43           HB2      SER  43  -2.148   9.683   3.238
  323    HG   SER  43           HG       SER  43  -2.438   8.435   4.945
  324    H    ALA  44           H        ALA  44   1.339   9.505   2.280
  325    HA   ALA  44           HA       ALA  44   0.752  10.907  -0.122
  326    HB1  ALA  44           HB1      ALA  44   3.415  10.599  -0.578
  327    HB2  ALA  44           HB2      ALA  44   3.318  10.215   1.152
  328    HB3  ALA  44           HB3      ALA  44   2.734  11.767   0.559
  329    H    TRP  45           H        TRP  45   2.428   7.816   0.136
  330    HA   TRP  45           HA       TRP  45   2.481   7.268  -2.651
  331    HB2  TRP  45           HB3      TRP  45   3.813   6.050  -0.877
  332    HB3  TRP  45           HB2      TRP  45   2.305   5.346  -0.345
  333    HD1  TRP  45           HD1      TRP  45   3.548   5.597  -4.018
  334    HE1  TRP  45           HE1      TRP  45   3.673   3.123  -4.927
  335    HE3  TRP  45           HE3      TRP  45   2.356   3.019   0.234
  336    HZ2  TRP  45           HZ2      TRP  45   3.381   0.598  -4.006
  337    HZ3  TRP  45           HZ3      TRP  45   2.334   0.580   0.141
  338    HH2  TRP  45           HH2      TRP  45   2.824  -0.611  -1.941
  339    H    PHE  46           H        PHE  46   0.208   6.183  -0.234
  340    HA   PHE  46           HA       PHE  46  -1.387   4.928  -2.102
  341    HB2  PHE  46           HB3      PHE  46  -2.341   6.344   0.352
  342    HB3  PHE  46           HB2      PHE  46  -3.335   5.251  -0.615
  343    HD1  PHE  46           HD1      PHE  46  -2.121   2.985  -1.140
  344    HD2  PHE  46           HD2      PHE  46  -1.426   5.456   2.274
  345    HE1  PHE  46           HE1      PHE  46  -1.426   1.025   0.124
  346    HE2  PHE  46           HE2      PHE  46  -0.739   3.486   3.549
  347    HZ   PHE  46           HZ       PHE  46  -0.725   1.238   2.401
  348    H    SER  47           H        SER  47  -1.768   8.004  -0.895
  349    HA   SER  47           HA       SER  47  -3.818   8.951  -2.634
  350    HB2  SER  47           HB3      SER  47  -1.819  10.624  -1.176
  351    HB3  SER  47           HB2      SER  47  -3.303  11.255  -1.934
  352    HG   SER  47           HG       SER  47  -4.212   9.373  -0.611
  353    H    PHE  48           H        PHE  48  -0.435   8.891  -3.281
  354    HA   PHE  48           HA       PHE  48  -0.657  10.379  -5.715
  355    HB2  PHE  48           HB3      PHE  48   1.592  10.048  -4.955
  356    HB3  PHE  48           HB2      PHE  48   1.329   8.312  -4.723
  357    HD1  PHE  48           HD1      PHE  48   0.955  10.769  -7.591
  358    HD2  PHE  48           HD2      PHE  48   2.182   6.972  -6.167
  359    HE1  PHE  48           HE1      PHE  48   1.499  10.092  -9.858
  360    HE2  PHE  48           HE2      PHE  48   2.775   6.311  -8.447
  361    HZ   PHE  48           HZ       PHE  48   2.426   7.870 -10.299
  362    H    LEU  49           H        LEU  49  -0.446   6.922  -4.833
  363    HA   LEU  49           HA       LEU  49  -0.713   5.761  -7.213
  364    HB2  LEU  49           HB3      LEU  49  -0.295   5.150  -4.746
  365    HB3  LEU  49           HB2      LEU  49  -2.014   4.721  -4.803
  366    HG   LEU  49           HG       LEU  49  -1.492   2.978  -6.521
  367   HD11  LEU  49          HD11      LEU  49   1.400   3.207  -6.152
  368   HD12  LEU  49          HD12      LEU  49   0.701   4.637  -6.901
  369   HD13  LEU  49          HD13      LEU  49   0.464   3.067  -7.650
  370   HD21  LEU  49          HD21      LEU  49  -0.824   2.941  -3.804
  371   HD22  LEU  49          HD22      LEU  49   0.612   2.307  -4.591
  372   HD23  LEU  49          HD23      LEU  49  -0.933   1.530  -4.849
  373    H    GLU  50           H        GLU  50  -3.177   6.321  -4.876
  374    HA   GLU  50           HA       GLU  50  -5.684   5.758  -5.984
  375    HB2  GLU  50           HB3      GLU  50  -5.230   8.388  -4.547
  376    HB3  GLU  50           HB2      GLU  50  -6.795   7.674  -4.875
  377    HG2  GLU  50           HG3      GLU  50  -6.336   5.903  -3.342
  378    HG3  GLU  50           HG2      GLU  50  -4.694   6.516  -3.077
  379    H    SER  51           H        SER  51  -4.108   8.417  -6.212
  380    HA   SER  51           HA       SER  51  -5.676   9.970  -8.056
  381    HB2  SER  51           HB3      SER  51  -2.712  10.435  -7.763
  382    HB3  SER  51           HB2      SER  51  -3.801  11.503  -8.628
  383    HG   SER  51           HG       SER  51  -3.766  10.875  -5.892
  384    H    HIS  52           H        HIS  52  -3.364   7.515  -8.717
  385    HA   HIS  52           HA       HIS  52  -4.064   7.749 -11.554
  386    HB2  HIS  52           HB3      HIS  52  -1.621   6.466 -10.361
  387    HB3  HIS  52           HB2      HIS  52  -2.012   6.246 -12.088
  388    HD1  HIS  52           HD1      HIS  52   0.242   7.520 -12.857
  389    HD2  HIS  52           HD2      HIS  52  -2.039   9.383 -10.000
  390    HE1  HIS  52           HE1      HIS  52   1.262   9.779 -12.663
  391    H    ASN  53           H        ASN  53  -3.886   5.288 -12.583
  392    HA   ASN  53           HA       ASN  53  -5.835   3.941 -10.939
  393    HB2  ASN  53           HB3      ASN  53  -6.356   2.508 -12.966
  394    HB3  ASN  53           HB2      ASN  53  -6.700   4.227 -13.124
  395   HD21  ASN  53          HD22      ASN  53  -6.330   4.874 -15.081
  396   HD22  ASN  53          HD21      ASN  53  -5.007   4.401 -16.090
  397    H    LYS  54           H        LYS  54  -3.555   3.716  -9.761
  398    HA   LYS  54           HA       LYS  54  -2.767   0.927 -10.222
  399    HB2  LYS  54           HB3      LYS  54  -1.338   2.812  -8.357
  400    HB3  LYS  54           HB2      LYS  54  -0.921   1.168  -8.742
  401    HG2  LYS  54           HG3      LYS  54  -0.820   3.486 -10.656
  402    HG3  LYS  54           HG2      LYS  54   0.538   2.672  -9.877
  403    HD2  LYS  54           HD3      LYS  54  -1.423   1.399 -11.748
  404    HD3  LYS  54           HD2      LYS  54   0.182   1.957 -12.228
  405    HE2  LYS  54           HE3      LYS  54   1.177   0.315 -10.643
  406    HE3  LYS  54           HE2      LYS  54  -0.438  -0.267 -10.248
  407    HZ1  LYS  54           HZ1      LYS  54  -0.092  -1.736 -12.001
  408    HZ2  LYS  54           HZ2      LYS  54   1.241  -0.832 -12.525
  409    HZ3  LYS  54           HZ3      LYS  54  -0.305  -0.388 -12.976
  410    H    LEU  55           H        LEU  55  -4.529   2.925  -8.161
  411    HA   LEU  55           HA       LEU  55  -5.352   0.758  -6.535
  412    HB2  LEU  55           HB3      LEU  55  -3.187   1.113  -5.472
  413    HB3  LEU  55           HB2      LEU  55  -3.517   2.824  -5.294
  414    HG   LEU  55           HG       LEU  55  -5.120   0.718  -3.771
  415   HD11  LEU  55          HD11      LEU  55  -3.218   0.248  -2.739
  416   HD12  LEU  55          HD12      LEU  55  -3.417   1.827  -1.974
  417   HD13  LEU  55          HD13      LEU  55  -2.398   1.646  -3.421
  418   HD21  LEU  55          HD21      LEU  55  -6.136   2.909  -3.616
  419   HD22  LEU  55          HD22      LEU  55  -4.563   3.644  -3.283
  420   HD23  LEU  55          HD23      LEU  55  -5.307   2.567  -2.104
  421    H    ASP  56           H        ASP  56  -7.231   1.212  -7.077
  422    HA   ASP  56           HA       ASP  56  -8.354   3.751  -6.347
  423    HB2  ASP  56           HB3      ASP  56  -9.683   1.316  -7.556
  424    HB3  ASP  56           HB2      ASP  56 -10.653   2.608  -6.946
  425    H    LYS  57           H        LYS  57 -10.611   3.063  -5.300
  426    HA   LYS  57           HA       LYS  57 -10.226   2.617  -2.618
  427    HB2  LYS  57           HB3      LYS  57 -12.666   2.330  -2.603
  428    HB3  LYS  57           HB2      LYS  57 -12.048   3.833  -3.254
  429    HG2  LYS  57           HG3      LYS  57 -13.875   3.075  -4.690
  430    HG3  LYS  57           HG2      LYS  57 -12.344   2.951  -5.554
  431    HD2  LYS  57           HD3      LYS  57 -12.214   0.627  -4.944
  432    HD3  LYS  57           HD2      LYS  57 -13.801   0.705  -4.189
  433    HE2  LYS  57           HE3      LYS  57 -13.971  -0.314  -6.345
  434    HE3  LYS  57           HE2      LYS  57 -14.747   1.279  -6.473
  435    HZ1  LYS  57           HZ1      LYS  57 -12.887   2.046  -7.799
  436    HZ2  LYS  57           HZ2      LYS  57 -13.196   0.489  -8.311
  437    HZ3  LYS  57           HZ3      LYS  57 -11.935   0.709  -7.310
  438    H    ASP  58           H        ASP  58 -10.430   0.249  -5.181
  439    HA   ASP  58           HA       ASP  58 -11.117  -1.775  -3.278
  440    HB2  ASP  58           HB3      ASP  58 -11.723  -3.155  -5.224
  441    HB3  ASP  58           HB2      ASP  58 -12.718  -1.728  -5.001
  442    H    ASN  59           H        ASN  59  -9.065  -1.131  -5.791
  443    HA   ASN  59           HA       ASN  59  -7.990  -3.732  -5.481
  444    HB2  ASN  59           HB3      ASN  59  -6.860  -3.421  -7.584
  445    HB3  ASN  59           HB2      ASN  59  -8.376  -2.528  -7.565
  446   HD21  ASN  59          HD22      ASN  59  -8.533  -0.707  -8.063
  447   HD22  ASN  59          HD21      ASN  59  -7.205   0.310  -8.556
  448    H    LEU  60           H        LEU  60  -6.525  -4.463  -4.674
  449    HA   LEU  60           HA       LEU  60  -4.538  -2.851  -3.292
  450    HB2  LEU  60           HB3      LEU  60  -4.689  -4.461  -1.353
  451    HB3  LEU  60           HB2      LEU  60  -6.081  -3.469  -1.654
  452    HG   LEU  60           HG       LEU  60  -7.247  -5.405  -2.678
  453   HD11  LEU  60          HD11      LEU  60  -6.425  -7.508  -2.861
  454   HD12  LEU  60          HD12      LEU  60  -5.165  -7.251  -1.610
  455   HD13  LEU  60          HD13      LEU  60  -5.011  -6.514  -3.203
  456   HD21  LEU  60          HD21      LEU  60  -6.480  -5.055   0.060
  457   HD22  LEU  60          HD22      LEU  60  -6.836  -6.748  -0.292
  458   HD23  LEU  60          HD23      LEU  60  -8.037  -5.489  -0.635
  459    H    SER  61           H        SER  61  -4.897  -5.685  -4.971
  460    HA   SER  61           HA       SER  61  -2.775  -7.236  -4.317
  461    HB2  SER  61           HB3      SER  61  -3.734  -6.944  -7.155
  462    HB3  SER  61           HB2      SER  61  -2.766  -8.301  -6.558
  463    HG   SER  61           HG       SER  61  -4.421  -8.673  -5.019
  464    H    TYR  62           H        TYR  62  -2.473  -4.574  -6.298
  465    HA   TYR  62           HA       TYR  62   0.291  -4.877  -7.000
  466    HB2  TYR  62           HB3      TYR  62  -0.764  -3.182  -8.222
  467    HB3  TYR  62           HB2      TYR  62  -1.467  -2.441  -6.804
  468    HD1  TYR  62           HD1      TYR  62   2.102  -3.400  -7.378
  469    HD2  TYR  62           HD2      TYR  62  -0.710  -0.299  -6.860
  470    HE1  TYR  62           HE1      TYR  62   3.955  -1.781  -7.152
  471    HE2  TYR  62           HE2      TYR  62   1.106   1.340  -6.731
  472    HH   TYR  62           HH       TYR  62   4.295   0.457  -6.178
  473    H    ILE  63           H        ILE  63  -1.227  -3.245  -4.292
  474    HA   ILE  63           HA       ILE  63   1.297  -2.601  -3.146
  475    HB   ILE  63           HB       ILE  63   0.167  -1.384  -1.505
  476   HG12  ILE  63          HG13      ILE  63  -2.432  -2.682  -2.281
  477   HG13  ILE  63          HG12      ILE  63  -1.498  -3.312  -0.923
  478   HG21  ILE  63          HG21      ILE  63  -0.186  -0.991  -4.078
  479   HG22  ILE  63          HG22      ILE  63  -0.742   0.092  -2.776
  480   HG23  ILE  63          HG23      ILE  63  -1.846  -1.090  -3.495
  481   HD11  ILE  63          HD11      ILE  63  -1.470  -0.980  -0.123
  482   HD12  ILE  63          HD12      ILE  63  -2.968  -1.884   0.100
  483   HD13  ILE  63          HD13      ILE  63  -2.832  -0.678  -1.212
  484    H    GLU  64           H        GLU  64  -0.898  -5.134  -3.000
  485    HA   GLU  64           HA       GLU  64  -0.368  -6.302  -0.380
  486    HB2  GLU  64           HB3      GLU  64  -2.323  -7.004  -1.809
  487    HB3  GLU  64           HB2      GLU  64  -1.184  -7.687  -2.956
  488    HG2  GLU  64           HG3      GLU  64  -0.473  -9.327  -1.211
  489    HG3  GLU  64           HG2      GLU  64  -1.713  -8.633  -0.161
  490    H    HIS  65           H        HIS  65   0.787  -7.158  -3.624
  491    HA   HIS  65           HA       HIS  65   2.989  -8.781  -3.042
  492    HB2  HIS  65           HB3      HIS  65   1.973  -8.278  -5.255
  493    HB3  HIS  65           HB2      HIS  65   2.447  -6.603  -5.073
  494    HD1  HIS  65           HD1      HIS  65   4.264  -9.983  -5.231
  495    HD2  HIS  65           HD2      HIS  65   4.570  -6.043  -6.442
  496    HE1  HIS  65           HE1      HIS  65   6.317  -9.932  -6.631
  497    H    ILE  66           H        ILE  66   3.077  -5.386  -3.529
  498    HA   ILE  66           HA       ILE  66   5.580  -4.952  -2.926
  499    HB   ILE  66           HB       ILE  66   3.385  -3.189  -1.898
  500   HG12  ILE  66          HG13      ILE  66   3.264  -3.771  -4.076
  501   HG13  ILE  66          HG12      ILE  66   3.612  -2.024  -4.143
  502   HG21  ILE  66          HG21      ILE  66   5.559  -2.641  -0.788
  503   HG22  ILE  66          HG22      ILE  66   4.975  -1.318  -1.751
  504   HG23  ILE  66          HG23      ILE  66   6.282  -2.326  -2.358
  505   HD11  ILE  66          HD11      ILE  66   4.896  -4.359  -5.227
  506   HD12  ILE  66          HD12      ILE  66   6.035  -3.319  -4.355
  507   HD13  ILE  66          HD13      ILE  66   5.048  -2.653  -5.682
  508    H    PHE  67           H        PHE  67   3.033  -5.184  -0.318
  509    HA   PHE  67           HA       PHE  67   4.926  -4.890   1.573
  510    HB2  PHE  67           HB3      PHE  67   2.181  -6.107   1.761
  511    HB3  PHE  67           HB2      PHE  67   3.208  -5.636   3.126
  512    HD1  PHE  67           HD2      PHE  67   4.095  -3.133   2.925
  513    HD2  PHE  67           HD1      PHE  67   0.654  -4.691   1.086
  514    HE1  PHE  67           HE2      PHE  67   3.251  -0.830   2.606
  515    HE2  PHE  67           HE1      PHE  67  -0.219  -2.416   0.752
  516    HZ   PHE  67           HZ       PHE  67   1.087  -0.471   1.523
  517    H    GLU  68           H        GLU  68   4.033  -7.805  -0.307
  518    HA   GLU  68           HA       GLU  68   4.993  -9.807   1.552
  519    HB2  GLU  68           HB3      GLU  68   3.348 -10.119  -0.267
  520    HB3  GLU  68           HB2      GLU  68   4.548  -9.607  -1.433
  521    HG2  GLU  68           HG3      GLU  68   4.420 -11.931  -1.575
  522    HG3  GLU  68           HG2      GLU  68   5.895 -11.483  -0.656
  523    H    ILE  69           H        ILE  69   6.172  -8.418  -1.419
  524    HA   ILE  69           HA       ILE  69   8.628  -9.573  -1.236
  525    HB   ILE  69           HB       ILE  69   9.389  -8.157  -3.024
  526   HG12  ILE  69          HG13      ILE  69   6.781  -6.673  -2.616
  527   HG13  ILE  69          HG12      ILE  69   8.412  -6.039  -2.404
  528   HG21  ILE  69          HG21      ILE  69   8.182  -9.382  -4.475
  529   HG22  ILE  69          HG22      ILE  69   6.665  -8.704  -3.878
  530   HG23  ILE  69          HG23      ILE  69   7.419 -10.033  -3.018
  531   HD11  ILE  69          HD11      ILE  69   6.865  -6.046  -4.721
  532   HD12  ILE  69          HD12      ILE  69   8.152  -7.235  -4.919
  533   HD13  ILE  69          HD13      ILE  69   8.586  -5.555  -4.539
  534    H    SER  70           H        SER  70   7.643  -6.504  -0.009
  535    HA   SER  70           HA       SER  70  10.309  -5.682   0.713
  536    HB2  SER  70           HB3      SER  70   7.641  -4.540   1.548
  537    HB3  SER  70           HB2      SER  70   9.232  -3.779   1.717
  538    HG   SER  70           HG       SER  70   7.695  -4.268  -0.535
  539    H    ARG  71           H        ARG  71  11.028  -5.697   2.841
  540    HA   ARG  71           HA       ARG  71  10.053  -7.893   4.287
  541    HB2  ARG  71           HB3      ARG  71  12.340  -6.090   5.033
  542    HB3  ARG  71           HB2      ARG  71  11.978  -7.695   5.680
  543    HG2  ARG  71           HG3      ARG  71  12.463  -7.111   2.839
  544    HG3  ARG  71           HG2      ARG  71  13.736  -7.693   3.923
  545    HD2  ARG  71           HD3      ARG  71  11.167  -9.105   3.166
  546    HD3  ARG  71           HD2      ARG  71  12.709  -9.445   2.398
  547    HE   ARG  71           HE       ARG  71  13.347 -10.660   4.253
  548   HH11  ARG  71          HH11      ARG  71  10.020  -9.660   4.757
  549   HH12  ARG  71          HH12      ARG  71   9.929 -10.263   6.362
  550   HH21  ARG  71          HH22      ARG  71  13.254 -11.452   6.507
  551   HH22  ARG  71          HH21      ARG  71  11.800 -11.351   7.335
  552    H    ARG  72           H        ARG  72   8.058  -6.528   4.434
  553    HA   ARG  72           HA       ARG  72   7.585  -5.542   7.140
  554    HB2  ARG  72           HB3      ARG  72   7.134  -4.083   4.585
  555    HB3  ARG  72           HB2      ARG  72   5.995  -3.870   5.910
  556    HG2  ARG  72           HG3      ARG  72   8.914  -3.431   6.232
  557    HG3  ARG  72           HG2      ARG  72   7.844  -2.139   5.621
  558    HD2  ARG  72           HD3      ARG  72   8.094  -1.832   8.009
  559    HD3  ARG  72           HD2      ARG  72   6.492  -2.462   7.697
  560    HE   ARG  72           HE       ARG  72   7.009  -4.229   9.062
  561   HH11  ARG  72          HH11      ARG  72  10.038  -2.647   8.194
  562   HH12  ARG  72          HH12      ARG  72  11.003  -3.795   9.009
  563   HH21  ARG  72          HH22      ARG  72   8.212  -5.655  10.197
  564   HH22  ARG  72          HH21      ARG  72   9.938  -5.546  10.302
  565    HA   PRO  73           HA       PRO  73   4.530  -8.559   5.186
  566    HB2  PRO  73           HB2      PRO  73   4.695 -10.430   7.183
  567    HB3  PRO  73           HB3      PRO  73   5.537 -10.537   5.642
  568    HG2  PRO  73           HG3      PRO  73   6.501  -9.703   8.281
  569    HG3  PRO  73           HG2      PRO  73   7.362 -10.552   6.971
  570    HD2  PRO  73           HD3      PRO  73   7.722  -7.924   7.578
  571    HD3  PRO  73           HD2      PRO  73   7.956  -8.605   5.951
  572    H    ASP  74           H        ASP  74   5.044  -6.856   8.030
  573    HA   ASP  74           HA       ASP  74   2.838  -7.587   9.711
  574    HB2  ASP  74           HB3      ASP  74   4.191  -4.864   9.478
  575    HB3  ASP  74           HB2      ASP  74   3.381  -5.550  10.885
  576    H    LEU  75           H        LEU  75   3.561  -5.175   7.578
  577    HA   LEU  75           HA       LEU  75   0.997  -3.914   7.372
  578    HB2  LEU  75           HB3      LEU  75   3.321  -3.651   5.447
  579    HB3  LEU  75           HB2      LEU  75   1.829  -2.762   5.281
  580    HG   LEU  75           HG       LEU  75   2.344  -1.508   7.439
  581   HD11  LEU  75          HD11      LEU  75   3.950  -3.574   8.105
  582   HD12  LEU  75          HD12      LEU  75   3.882  -1.992   8.845
  583   HD13  LEU  75          HD13      LEU  75   5.088  -2.326   7.596
  584   HD21  LEU  75          HD21      LEU  75   3.044  -0.647   5.276
  585   HD22  LEU  75          HD22      LEU  75   4.563  -1.534   5.406
  586   HD23  LEU  75          HD23      LEU  75   4.187  -0.246   6.558
  587    H    LEU  76           H        LEU  76   2.625  -6.065   5.318
  588    HA   LEU  76           HA       LEU  76   0.804  -6.777   3.222
  589    HB2  LEU  76           HB3      LEU  76   2.914  -8.163   3.598
  590    HB3  LEU  76           HB2      LEU  76   2.001  -8.979   4.874
  591    HG   LEU  76           HG       LEU  76   0.311  -9.454   3.085
  592   HD11  LEU  76          HD11      LEU  76   0.784  -9.767   0.949
  593   HD12  LEU  76          HD12      LEU  76   2.480  -9.373   1.177
  594   HD13  LEU  76          HD13      LEU  76   1.240  -8.118   1.383
  595   HD21  LEU  76          HD21      LEU  76   1.397 -11.612   2.562
  596   HD22  LEU  76          HD22      LEU  76   1.386 -11.187   4.266
  597   HD23  LEU  76          HD23      LEU  76   2.874 -11.022   3.301
  598    H    THR  77           H        THR  77   1.029  -8.265   6.210
  599    HA   THR  77           HA       THR  77  -1.114  -9.878   6.445
  600    HB   THR  77           HB       THR  77   0.195  -8.260   8.537
  601    HG1  THR  77           HG1      THR  77   1.645  -9.657   7.822
  602   HG21  THR  77          HG21      THR  77  -1.688  -8.829   9.599
  603   HG22  THR  77          HG22      THR  77  -0.644 -10.220   9.999
  604   HG23  THR  77          HG23      THR  77  -1.858 -10.344   8.684
  605    H    MET  78           H        MET  78  -0.994  -6.533   7.263
  606    HA   MET  78           HA       MET  78  -3.704  -6.257   8.076
  607    HB2  MET  78           HB3      MET  78  -1.813  -4.151   7.034
  608    HB3  MET  78           HB2      MET  78  -3.402  -3.828   7.710
  609    HG2  MET  78           HG3      MET  78  -2.762  -4.772   9.804
  610    HG3  MET  78           HG2      MET  78  -1.196  -5.275   9.197
  611    HE1  MET  78           HE1      MET  78  -1.526  -3.978  11.753
  612    HE2  MET  78           HE2      MET  78  -0.706  -2.427  11.880
  613    HE3  MET  78           HE3      MET  78   0.167  -3.839  11.273
  614    H    VAL  79           H        VAL  79  -2.221  -6.058   4.884
  615    HA   VAL  79           HA       VAL  79  -4.581  -5.152   3.532
  616    HB   VAL  79           HB       VAL  79  -2.227  -6.723   2.448
  617   HG11  VAL  79          HG11      VAL  79  -3.773  -4.739   0.845
  618   HG12  VAL  79          HG12      VAL  79  -4.344  -6.398   1.028
  619   HG13  VAL  79          HG13      VAL  79  -2.766  -6.081   0.317
  620   HG21  VAL  79          HG21      VAL  79  -1.264  -4.899   3.515
  621   HG22  VAL  79          HG22      VAL  79  -2.501  -3.778   2.963
  622   HG23  VAL  79          HG23      VAL  79  -1.323  -4.414   1.814
  623    H    VAL  80           H        VAL  80  -2.941  -8.253   3.925
  624    HA   VAL  80           HA       VAL  80  -4.746  -9.962   2.693
  625    HB   VAL  80           HB       VAL  80  -2.932 -10.504   5.125
  626   HG11  VAL  80          HG11      VAL  80  -4.804 -12.132   4.806
  627   HG12  VAL  80          HG12      VAL  80  -3.171 -12.798   4.806
  628   HG13  VAL  80          HG13      VAL  80  -4.038 -12.597   3.273
  629   HG21  VAL  80          HG21      VAL  80  -1.273 -10.274   3.645
  630   HG22  VAL  80          HG22      VAL  80  -2.410 -10.149   2.302
  631   HG23  VAL  80          HG23      VAL  80  -1.859 -11.730   2.868
  632    H    ASP  81           H        ASP  81  -4.478  -9.203   5.908
  633    HA   ASP  81           HA       ASP  81  -6.673 -10.455   7.119
  634    HB2  ASP  81           HB3      ASP  81  -4.906  -9.356   8.489
  635    HB3  ASP  81           HB2      ASP  81  -5.541  -7.787   8.071
  636    H    TYR  82           H        TYR  82  -6.482  -7.283   5.885
  637    HA   TYR  82           HA       TYR  82  -9.092  -6.212   6.281
  638    HB2  TYR  82           HB3      TYR  82  -7.422  -4.754   5.530
  639    HB3  TYR  82           HB2      TYR  82  -7.107  -5.713   4.076
  640    HD1  TYR  82           HD2      TYR  82  -9.856  -3.790   5.779
  641    HD2  TYR  82           HD1      TYR  82  -8.052  -5.187   2.220
  642    HE1  TYR  82           HE2      TYR  82 -11.387  -2.427   4.479
  643    HE2  TYR  82           HE1      TYR  82  -9.606  -3.876   0.877
  644    HH   TYR  82           HH       TYR  82 -11.772  -2.882   1.094
  645    H    ARG  83           H        ARG  83  -7.749  -7.899   3.449
  646    HA   ARG  83           HA       ARG  83 -10.012  -7.892   1.863
  647    HB2  ARG  83           HB3      ARG  83  -8.048  -8.272   0.759
  648    HB3  ARG  83           HB2      ARG  83  -7.395  -9.282   2.016
  649    HG2  ARG  83           HG3      ARG  83  -9.499 -10.246   0.110
  650    HG3  ARG  83           HG2      ARG  83  -7.766 -10.279  -0.325
  651    HD2  ARG  83           HD3      ARG  83  -7.573 -11.549   1.915
  652    HD3  ARG  83           HD2      ARG  83  -9.317 -11.741   1.784
  653    HE   ARG  83           HE       ARG  83  -7.989 -12.520  -0.585
  654   HH11  ARG  83          HH11      ARG  83  -8.766 -13.633   2.723
  655   HH12  ARG  83          HH12      ARG  83  -8.499 -15.259   2.388
  656   HH21  ARG  83          HH22      ARG  83  -7.429 -14.824  -0.968
  657   HH22  ARG  83          HH21      ARG  83  -7.636 -15.933   0.311
  658    H    THR  84           H        THR  84  -8.938 -10.153   3.921
  659    HA   THR  84           HA       THR  84 -11.080 -12.027   3.765
  660    HB   THR  84           HB       THR  84  -9.251 -11.496   6.052
  661    HG1  THR  84           HG1      THR  84  -7.875 -12.152   4.582
  662   HG21  THR  84          HG21      THR  84 -10.865 -13.873   5.289
  663   HG22  THR  84          HG22      THR  84 -11.160 -12.715   6.587
  664   HG23  THR  84          HG23      THR  84  -9.708 -13.772   6.667
  665    H    ARG  85           H        ARG  85 -10.376 -10.146   6.320
  666    HA   ARG  85           HA       ARG  85 -12.485 -10.358   7.888
  667    HB2  ARG  85           HB3      ARG  85 -11.797  -8.538   9.375
  668    HB3  ARG  85           HB2      ARG  85 -10.376  -9.292   8.690
  669    HG2  ARG  85           HG3      ARG  85  -9.769  -7.095   8.498
  670    HG3  ARG  85           HG2      ARG  85 -10.612  -7.218   6.963
  671    HD2  ARG  85           HD3      ARG  85 -11.420  -5.293   8.032
  672    HD3  ARG  85           HD2      ARG  85 -12.636  -6.601   8.121
  673    HE   ARG  85           HE       ARG  85 -11.051  -6.858  10.346
  674   HH11  ARG  85          HH11      ARG  85 -13.423  -4.445   9.205
  675   HH12  ARG  85          HH12      ARG  85 -13.797  -3.890  10.711
  676   HH21  ARG  85          HH22      ARG  85 -11.567  -6.075  12.475
  677   HH22  ARG  85          HH21      ARG  85 -12.710  -4.836  12.682
  678    H    VAL  86           H        VAL  86 -12.153  -7.814   5.905
  679    HA   VAL  86           HA       VAL  86 -14.806  -6.680   6.048
  680    HB   VAL  86           HB       VAL  86 -12.801  -6.400   3.830
  681   HG11  VAL  86          HG11      VAL  86 -14.315  -5.106   2.611
  682   HG12  VAL  86          HG12      VAL  86 -14.776  -4.216   4.067
  683   HG13  VAL  86          HG13      VAL  86 -15.560  -5.759   3.682
  684   HG21  VAL  86          HG21      VAL  86 -11.876  -4.857   5.112
  685   HG22  VAL  86          HG22      VAL  86 -12.986  -5.399   6.374
  686   HG23  VAL  86          HG23      VAL  86 -13.420  -4.036   5.334
  687    H    LEU  87           H        LEU  87 -13.497  -9.181   4.078
  688    HA   LEU  87           HA       LEU  87 -15.591  -9.694   2.253
  689    HB2  LEU  87           HB3      LEU  87 -13.244 -10.535   2.332
  690    HB3  LEU  87           HB2      LEU  87 -13.628 -11.450   3.738
  691    HG   LEU  87           HG       LEU  87 -13.299 -12.899   1.961
  692   HD11  LEU  87          HD11      LEU  87 -14.801 -13.908   3.164
  693   HD12  LEU  87          HD12      LEU  87 -15.608 -13.930   1.578
  694   HD13  LEU  87          HD13      LEU  87 -16.071 -12.736   2.822
  695   HD21  LEU  87          HD21      LEU  87 -13.671 -11.195   0.219
  696   HD22  LEU  87          HD22      LEU  87 -15.403 -11.576   0.287
  697   HD23  LEU  87          HD23      LEU  87 -14.215 -12.823  -0.171
  698    H    LYS  88           H        LYS  88 -14.801 -10.955   5.361
  699    HA   LYS  88           HA       LYS  88 -17.143 -12.490   5.769
  700    HB2  LYS  88           HB3      LYS  88 -14.987 -12.963   6.942
  701    HB3  LYS  88           HB2      LYS  88 -15.220 -11.542   7.911
  702    HG2  LYS  88           HG3      LYS  88 -15.773 -13.582   9.135
  703    HG3  LYS  88           HG2      LYS  88 -17.168 -12.545   9.018
  704    HD2  LYS  88           HD3      LYS  88 -18.050 -13.855   7.165
  705    HD3  LYS  88           HD2      LYS  88 -16.613 -14.864   7.164
  706    HE2  LYS  88           HE3      LYS  88 -18.570 -14.629   9.447
  707    HE3  LYS  88           HE2      LYS  88 -18.585 -15.915   8.247
  708    HZ1  LYS  88           HZ1      LYS  88 -17.471 -16.564  10.310
  709    HZ2  LYS  88           HZ2      LYS  88 -16.289 -15.368  10.103
  710    HZ3  LYS  88           HZ3      LYS  88 -16.439 -16.624   8.985
  711    H    ILE  89           H        ILE  89 -16.552  -9.122   6.512
  712    HA   ILE  89           HA       ILE  89 -18.752  -8.797   8.245
  713    HB   ILE  89           HB       ILE  89 -16.992  -6.968   6.651
  714   HG12  ILE  89          HG13      ILE  89 -17.130  -7.501   9.627
  715   HG13  ILE  89          HG12      ILE  89 -15.894  -8.073   8.509
  716   HG21  ILE  89          HG21      ILE  89 -17.916  -5.102   7.893
  717   HG22  ILE  89          HG22      ILE  89 -19.208  -6.199   8.458
  718   HG23  ILE  89          HG23      ILE  89 -18.969  -5.907   6.712
  719   HD11  ILE  89          HD11      ILE  89 -14.749  -6.207   8.689
  720   HD12  ILE  89          HD12      ILE  89 -15.820  -5.764  10.014
  721   HD13  ILE  89          HD13      ILE  89 -16.172  -5.221   8.370
  722    H    SER  90           H        SER  90 -18.054  -8.084   4.845
  723    HA   SER  90           HA       SER  90 -20.775  -7.236   4.404
  724    HB2  SER  90           HB3      SER  90 -18.437  -7.442   2.529
  725    HB3  SER  90           HB2      SER  90 -20.013  -6.699   2.146
  726    HG   SER  90           HG       SER  90 -18.871  -5.779   4.451
  Start of MODEL    5
    1    H1   MET   1           H        MET   1 -16.103   2.516   1.309
    2    H2   MET   1           H2       MET   1 -15.622   1.983  -0.185
    3    H3   MET   1           H3       MET   1 -15.234   1.057   1.193
    4    HA   MET   1           HA       MET   1 -13.324   2.199   0.452
    5    HB2  MET   1           HB3      MET   1 -14.359   3.952  -0.842
    6    HB3  MET   1           HB2      MET   1 -15.000   4.704   0.624
    7    HG2  MET   1           HG3      MET   1 -12.688   5.193   1.334
    8    HG3  MET   1           HG2      MET   1 -12.100   4.427  -0.127
    9    HE1  MET   1           HE1      MET   1 -10.679   6.516  -0.064
   10    HE2  MET   1           HE2      MET   1 -11.505   7.812   0.783
   11    HE3  MET   1           HE3      MET   1 -11.143   7.993  -0.933
   12    H    ALA   2           H        ALA   2 -15.429   3.018   3.069
   13    HA   ALA   2           HA       ALA   2 -13.431   4.288   4.650
   14    HB1  ALA   2           HB1      ALA   2 -15.619   2.742   6.002
   15    HB2  ALA   2           HB2      ALA   2 -15.987   4.244   5.154
   16    HB3  ALA   2           HB3      ALA   2 -14.891   4.254   6.527
   17    H    GLU   3           H        GLU   3 -14.426   1.013   5.331
   18    HA   GLU   3           HA       GLU   3 -12.554   0.310   7.014
   19    HB2  GLU   3           HB3      GLU   3 -13.218  -1.492   4.687
   20    HB3  GLU   3           HB2      GLU   3 -12.433  -2.035   6.166
   21    HG2  GLU   3           HG3      GLU   3 -15.092  -0.751   5.998
   22    HG3  GLU   3           HG2      GLU   3 -14.875  -2.522   6.093
   23    H    TYR   4           H        TYR   4 -12.222   0.377   3.902
   24    HA   TYR   4           HA       TYR   4  -9.461  -0.337   3.312
   25    HB2  TYR   4           HB3      TYR   4 -11.097  -0.144   1.483
   26    HB3  TYR   4           HB2      TYR   4 -10.931   1.635   1.523
   27    HD1  TYR   4           HD1      TYR   4  -8.720  -1.299   1.695
   28    HD2  TYR   4           HD2      TYR   4  -9.603   2.317  -0.353
   29    HE1  TYR   4           HE1      TYR   4  -6.852  -1.736   0.183
   30    HE2  TYR   4           HE2      TYR   4  -7.691   1.903  -1.870
   31    HH   TYR   4           HH       TYR   4  -6.457  -0.290  -2.661
   32    H    GLY   5           H        GLY   5 -10.989   2.641   3.754
   33    HA2  GLY   5           HA3      GLY   5  -8.878   4.535   3.657
   34    HA3  GLY   5           HA2      GLY   5 -10.268   4.772   4.723
   35    H    THR   6           H        THR   6 -10.010   2.763   6.601
   36    HA   THR   6           HA       THR   6  -7.870   3.643   8.215
   37    HB   THR   6           HB       THR   6  -9.494   1.134   8.379
   38    HG1  THR   6           HG1      THR   6 -10.538   3.496   8.303
   39   HG21  THR   6          HG21      THR   6  -9.187   1.899  10.891
   40   HG22  THR   6          HG22      THR   6  -7.788   2.698  10.152
   41   HG23  THR   6          HG23      THR   6  -7.955   0.947  10.005
   42    H    LEU   7           H        LEU   7  -8.433   0.807   6.374
   43    HA   LEU   7           HA       LEU   7  -6.187  -0.796   6.838
   44    HB2  LEU   7           HB3      LEU   7  -7.673  -1.569   5.163
   45    HB3  LEU   7           HB2      LEU   7  -7.250  -0.245   4.082
   46    HG   LEU   7           HG       LEU   7  -4.957  -1.137   3.992
   47   HD11  LEU   7          HD11      LEU   7  -4.934  -3.694   4.547
   48   HD12  LEU   7          HD12      LEU   7  -6.089  -3.185   5.760
   49   HD13  LEU   7          HD13      LEU   7  -4.467  -2.460   5.704
   50   HD21  LEU   7          HD21      LEU   7  -5.456  -2.276   2.129
   51   HD22  LEU   7          HD22      LEU   7  -7.104  -1.792   2.518
   52   HD23  LEU   7          HD23      LEU   7  -6.536  -3.392   2.976
   53    H    LEU   8           H        LEU   8  -6.232   1.501   4.449
   54    HA   LEU   8           HA       LEU   8  -3.448   1.663   3.755
   55    HB2  LEU   8           HB3      LEU   8  -5.351   4.011   3.547
   56    HB3  LEU   8           HB2      LEU   8  -3.637   4.027   3.125
   57    HG   LEU   8           HG       LEU   8  -3.949   2.574   1.286
   58   HD11  LEU   8          HD11      LEU   8  -5.570   1.068   2.285
   59   HD12  LEU   8          HD12      LEU   8  -6.050   1.566   0.670
   60   HD13  LEU   8          HD13      LEU   8  -6.822   2.285   2.095
   61   HD21  LEU   8          HD21      LEU   8  -4.730   4.168  -0.036
   62   HD22  LEU   8          HD22      LEU   8  -5.084   5.067   1.427
   63   HD23  LEU   8          HD23      LEU   8  -6.349   4.118   0.679
   64    H    GLN   9           H        GLN   9  -5.222   3.280   6.169
   65    HA   GLN   9           HA       GLN   9  -3.109   4.805   7.246
   66    HB2  GLN   9           HB3      GLN   9  -5.161   5.834   7.354
   67    HB3  GLN   9           HB2      GLN   9  -5.928   4.307   7.810
   68    HG2  GLN   9           HG3      GLN   9  -5.595   4.463   9.754
   69    HG3  GLN   9           HG2      GLN   9  -4.000   5.289   9.782
   70   HE21  GLN   9          HE22      GLN   9  -4.084   7.393  10.203
   71   HE22  GLN   9          HE21      GLN   9  -5.486   8.333  10.526
   72    H    ASP  10           H        ASP  10  -4.143   1.812   7.780
   73    HA   ASP  10           HA       ASP  10  -3.051   1.462  10.458
   74    HB2  ASP  10           HB3      ASP  10  -4.316  -0.690   8.802
   75    HB3  ASP  10           HB2      ASP  10  -3.313  -1.090  10.176
   76    H    LEU  11           H        LEU  11  -2.083   0.665   7.144
   77    HA   LEU  11           HA       LEU  11   0.280  -0.456   8.142
   78    HB2  LEU  11           HB3      LEU  11   0.892  -0.808   5.881
   79    HB3  LEU  11           HB2      LEU  11  -0.698  -1.493   6.189
   80    HG   LEU  11           HG       LEU  11  -1.447   0.758   5.102
   81   HD11  LEU  11          HD11      LEU  11   0.068   1.861   3.811
   82   HD12  LEU  11          HD12      LEU  11   1.116   0.450   3.629
   83   HD13  LEU  11          HD13      LEU  11   1.074   1.332   5.155
   84   HD21  LEU  11          HD21      LEU  11  -1.027  -1.922   4.205
   85   HD22  LEU  11          HD22      LEU  11  -0.551  -0.830   2.901
   86   HD23  LEU  11          HD23      LEU  11  -2.166  -0.742   3.564
   87    H    THR  12           H        THR  12  -0.916   2.425   7.036
   88    HA   THR  12           HA       THR  12   1.450   3.959   6.617
   89    HB   THR  12           HB       THR  12  -1.409   4.747   7.157
   90    HG1  THR  12           HG1      THR  12  -1.173   4.000   5.177
   91   HG21  THR  12          HG21      THR  12  -0.804   6.733   7.611
   92   HG22  THR  12          HG22      THR  12  -0.147   6.768   5.940
   93   HG23  THR  12          HG23      THR  12   0.931   6.291   7.324
   94    H    ASN  13           H        ASN  13  -0.496   3.266   9.467
   95    HA   ASN  13           HA       ASN  13   0.890   4.938  11.318
   96    HB2  ASN  13           HB3      ASN  13  -0.636   2.372  11.839
   97    HB3  ASN  13           HB2      ASN  13   0.036   3.334  13.135
   98   HD21  ASN  13          HD22      ASN  13  -2.783   2.553  11.905
   99   HD22  ASN  13          HD21      ASN  13  -3.633   4.029  12.038
  100    H    ASN  14           H        ASN  14   1.515   1.799  10.035
  101    HA   ASN  14           HA       ASN  14   3.824   1.420  11.796
  102    HB2  ASN  14           HB3      ASN  14   2.692  -0.385   9.613
  103    HB3  ASN  14           HB2      ASN  14   4.056  -0.789  10.646
  104   HD21  ASN  14          HD22      ASN  14   0.772  -1.101  10.306
  105   HD22  ASN  14          HD21      ASN  14   0.387  -1.530  11.937
  106    H    ILE  15           H        ILE  15   3.153   2.875   8.932
  107    HA   ILE  15           HA       ILE  15   5.558   2.282   7.587
  108    HB   ILE  15           HB       ILE  15   3.195   3.966   6.989
  109   HG12  ILE  15          HG13      ILE  15   3.361   1.647   6.277
  110   HG13  ILE  15          HG12      ILE  15   3.147   2.739   4.922
  111   HG21  ILE  15          HG21      ILE  15   4.077   5.549   5.849
  112   HG22  ILE  15          HG22      ILE  15   4.889   4.359   4.827
  113   HG23  ILE  15          HG23      ILE  15   5.708   4.992   6.272
  114   HD11  ILE  15          HD11      ILE  15   5.149   2.221   4.025
  115   HD12  ILE  15          HD12      ILE  15   5.099   0.801   5.092
  116   HD13  ILE  15          HD13      ILE  15   5.934   2.290   5.593
  117    H    THR  16           H        THR  16   7.422   3.038   8.144
  118    HA   THR  16           HA       THR  16   7.772   5.693   9.160
  119    HB   THR  16           HB       THR  16  10.072   5.065   9.471
  120    HG1  THR  16           HG1      THR  16   9.620   2.383   8.810
  121   HG21  THR  16          HG21      THR  16   9.859   3.493  11.164
  122   HG22  THR  16          HG22      THR  16   8.425   2.797  10.367
  123   HG23  THR  16          HG23      THR  16   8.341   4.441  11.083
  124    H    LEU  17           H        LEU  17   9.217   6.767   8.137
  125    HA   LEU  17           HA       LEU  17   9.212   7.075   5.290
  126    HB2  LEU  17           HB3      LEU  17  11.251   8.041   7.184
  127    HB3  LEU  17           HB2      LEU  17  11.607   8.053   5.461
  128    HG   LEU  17           HG       LEU  17  10.784  10.128   6.095
  129   HD11  LEU  17          HD11      LEU  17   8.380   9.450   4.742
  130   HD12  LEU  17          HD12      LEU  17   9.745   8.530   4.113
  131   HD13  LEU  17          HD13      LEU  17   9.823  10.294   4.176
  132   HD21  LEU  17          HD21      LEU  17   8.275  10.248   6.771
  133   HD22  LEU  17          HD22      LEU  17   9.492   9.967   8.025
  134   HD23  LEU  17          HD23      LEU  17   8.552   8.617   7.374
  135    H    GLU  18           H        GLU  18  11.576   5.373   7.235
  136    HA   GLU  18           HA       GLU  18  13.079   4.321   5.109
  137    HB2  GLU  18           HB3      GLU  18  12.706   3.110   7.870
  138    HB3  GLU  18           HB2      GLU  18  14.018   2.759   6.756
  139    HG2  GLU  18           HG3      GLU  18  14.795   5.045   6.883
  140    HG3  GLU  18           HG2      GLU  18  13.450   5.463   7.940
  141    H    ASP  19           H        ASP  19  10.588   2.852   6.867
  142    HA   ASP  19           HA       ASP  19  10.425   0.484   5.398
  143    HB2  ASP  19           HB3      ASP  19   8.175   1.858   6.918
  144    HB3  ASP  19           HB2      ASP  19   7.917   0.267   6.122
  145    H    LEU  20           H        LEU  20   8.479   3.323   4.765
  146    HA   LEU  20           HA       LEU  20   7.618   2.612   2.304
  147    HB2  LEU  20           HB3      LEU  20   8.294   5.320   3.180
  148    HB3  LEU  20           HB2      LEU  20   7.852   5.040   1.509
  149    HG   LEU  20           HG       LEU  20   6.133   4.397   3.886
  150   HD11  LEU  20          HD11      LEU  20   6.684   6.799   2.431
  151   HD12  LEU  20          HD12      LEU  20   5.509   6.536   3.705
  152   HD13  LEU  20          HD13      LEU  20   5.054   6.279   2.020
  153   HD21  LEU  20          HD21      LEU  20   4.796   3.174   2.490
  154   HD22  LEU  20          HD22      LEU  20   6.074   3.271   1.283
  155   HD23  LEU  20          HD23      LEU  20   4.796   4.457   1.284
  156    H    GLU  21           H        GLU  21  10.753   3.962   2.932
  157    HA   GLU  21           HA       GLU  21  11.735   4.411   0.379
  158    HB2  GLU  21           HB3      GLU  21  13.189   3.075   2.694
  159    HB3  GLU  21           HB2      GLU  21  13.975   3.643   1.236
  160    HG2  GLU  21           HG3      GLU  21  12.397   5.395   3.021
  161    HG3  GLU  21           HG2      GLU  21  14.106   5.083   3.373
  162    H    GLN  22           H        GLN  22  11.467   1.671   2.244
  163    HA   GLN  22           HA       GLN  22  12.743  -0.222   0.550
  164    HB2  GLN  22           HB3      GLN  22  12.680  -0.517   2.970
  165    HB3  GLN  22           HB2      GLN  22  10.948  -0.737   2.862
  166    HG2  GLN  22           HG3      GLN  22  11.237  -2.726   1.582
  167    HG3  GLN  22           HG2      GLN  22  12.980  -2.512   1.600
  168   HE21  GLN  22          HE22      GLN  22  10.358  -3.774   3.180
  169   HE22  GLN  22          HE21      GLN  22  11.103  -4.167   4.701
  170    H    LEU  23           H        LEU  23   9.208   0.353   1.200
  171    HA   LEU  23           HA       LEU  23   8.297  -1.480  -0.598
  172    HB2  LEU  23           HB3      LEU  23   7.263   1.220   0.277
  173    HB3  LEU  23           HB2      LEU  23   6.296   0.041  -0.585
  174    HG   LEU  23           HG       LEU  23   7.475  -0.271   2.130
  175   HD11  LEU  23          HD11      LEU  23   5.734   1.266   2.316
  176   HD12  LEU  23          HD12      LEU  23   4.957  -0.280   2.688
  177   HD13  LEU  23          HD13      LEU  23   4.760   0.451   1.097
  178   HD21  LEU  23          HD21      LEU  23   6.890  -2.396   2.127
  179   HD22  LEU  23          HD22      LEU  23   6.805  -2.238   0.377
  180   HD23  LEU  23          HD23      LEU  23   5.333  -2.076   1.342
  181    H    LYS  24           H        LYS  24   9.237   1.686  -0.867
  182    HA   LYS  24           HA       LYS  24   8.626   2.194  -3.642
  183    HB2  LYS  24           HB3      LYS  24  10.878   3.534  -2.152
  184    HB3  LYS  24           HB2      LYS  24  10.251   4.035  -3.704
  185    HG2  LYS  24           HG3      LYS  24   8.647   4.128  -1.107
  186    HG3  LYS  24           HG2      LYS  24   9.480   5.501  -1.819
  187    HD2  LYS  24           HD3      LYS  24   7.249   5.753  -2.171
  188    HD3  LYS  24           HD2      LYS  24   7.863   5.208  -3.721
  189    HE2  LYS  24           HE3      LYS  24   6.500   3.411  -1.698
  190    HE3  LYS  24           HE2      LYS  24   5.644   4.266  -2.962
  191    HZ1  LYS  24           HZ1      LYS  24   5.900   2.284  -3.908
  192    HZ2  LYS  24           HZ2      LYS  24   7.325   1.902  -3.093
  193    HZ3  LYS  24           HZ3      LYS  24   7.364   2.957  -4.425
  194    H    SER  25           H        SER  25  11.216   1.302  -2.284
  195    HA   SER  25           HA       SER  25  13.131   0.690  -4.367
  196    HB2  SER  25           HB3      SER  25  13.139  -0.838  -1.721
  197    HB3  SER  25           HB2      SER  25  14.437  -0.940  -2.931
  198    HG   SER  25           HG       SER  25  13.558   1.342  -1.502
  199    H    ALA  26           H        ALA  26  10.997  -1.341  -2.838
  200    HA   ALA  26           HA       ALA  26  11.153  -3.518  -4.708
  201    HB1  ALA  26           HB1      ALA  26   9.987  -4.415  -2.982
  202    HB2  ALA  26           HB2      ALA  26   8.563  -3.705  -3.749
  203    HB3  ALA  26           HB3      ALA  26   9.393  -2.849  -2.467
  204    H    CYS  27           H        CYS  27   8.876  -0.775  -4.479
  205    HA   CYS  27           HA       CYS  27   7.541  -1.398  -6.857
  206    HB2  CYS  27           HB3      CYS  27   7.749   1.228  -5.471
  207    HB3  CYS  27           HB2      CYS  27   6.632   0.745  -6.733
  208    HG   CYS  27           HG       CYS  27   5.492  -1.223  -5.084
  209    H    LYS  28           H        LYS  28  10.655  -0.255  -6.715
  210    HA   LYS  28           HA       LYS  28  10.680   2.114  -7.979
  211    HB2  LYS  28           HB3      LYS  28  13.015   1.675  -8.591
  212    HB3  LYS  28           HB2      LYS  28  12.623   1.009  -6.998
  213    HG2  LYS  28           HG3      LYS  28  12.433  -1.207  -7.937
  214    HG3  LYS  28           HG2      LYS  28  12.813  -0.559  -9.536
  215    HD2  LYS  28           HD3      LYS  28  14.995   0.195  -8.703
  216    HD3  LYS  28           HD2      LYS  28  14.601  -0.462  -7.116
  217    HE2  LYS  28           HE3      LYS  28  14.362  -2.700  -8.130
  218    HE3  LYS  28           HE2      LYS  28  14.822  -2.015  -9.678
  219    HZ1  LYS  28           HZ1      LYS  28  16.930  -2.314  -9.172
  220    HZ2  LYS  28           HZ2      LYS  28  16.497  -2.984  -7.692
  221    HZ3  LYS  28           HZ3      LYS  28  16.797  -1.322  -7.773
  222    H    GLU  29           H        GLU  29  10.434  -0.913  -9.573
  223    HA   GLU  29           HA       GLU  29  10.560   0.192 -12.156
  224    HB2  GLU  29           HB3      GLU  29   9.790  -2.527 -11.214
  225    HB3  GLU  29           HB2      GLU  29   9.987  -2.104 -12.916
  226    HG2  GLU  29           HG3      GLU  29  12.304  -1.417 -12.497
  227    HG3  GLU  29           HG2      GLU  29  12.159  -1.850 -10.809
  228    H    ASP  30           H        ASP  30   7.897  -0.569  -9.982
  229    HA   ASP  30           HA       ASP  30   5.836  -0.138 -12.010
  230    HB2  ASP  30           HB3      ASP  30   5.654  -0.616  -9.056
  231    HB3  ASP  30           HB2      ASP  30   4.256  -0.186 -10.015
  232    H    ILE  31           H        ILE  31   6.912   1.640  -9.161
  233    HA   ILE  31           HA       ILE  31   5.099   3.778  -9.951
  234    HB   ILE  31           HB       ILE  31   5.038   2.803  -7.580
  235   HG12  ILE  31          HG13      ILE  31   4.171   5.064  -8.054
  236   HG13  ILE  31          HG12      ILE  31   4.671   4.800  -6.376
  237   HG21  ILE  31          HG21      ILE  31   7.450   2.589  -7.382
  238   HG22  ILE  31          HG22      ILE  31   6.536   3.249  -5.995
  239   HG23  ILE  31          HG23      ILE  31   7.493   4.337  -7.029
  240   HD11  ILE  31          HD11      ILE  31   5.304   6.998  -7.887
  241   HD12  ILE  31          HD12      ILE  31   6.699   5.918  -8.117
  242   HD13  ILE  31          HD13      ILE  31   6.185   6.405  -6.479
  243    HA   PRO  32           HA       PRO  32   8.441   5.671 -11.785
  244    HB2  PRO  32           HB2      PRO  32   7.145   8.312 -11.387
  245    HB3  PRO  32           HB3      PRO  32   7.694   7.541 -12.881
  246    HG2  PRO  32           HG3      PRO  32   5.088   7.638 -12.245
  247    HG3  PRO  32           HG2      PRO  32   5.797   6.228 -13.064
  248    HD2  PRO  32           HD3      PRO  32   5.106   6.614 -10.186
  249    HD3  PRO  32           HD2      PRO  32   4.873   5.160 -11.210
  250    H    SER  33           H        SER  33  10.115   6.492 -11.366
  251    HA   SER  33           HA       SER  33  11.318   6.784  -8.812
  252    HB2  SER  33           HB3      SER  33  12.800   6.500 -10.776
  253    HB3  SER  33           HB2      SER  33  12.457   8.144 -11.293
  254    HG   SER  33           HG       SER  33  13.358   8.521  -8.893
  255    H    GLU  34           H        GLU  34  10.500   9.267 -10.926
  256    HA   GLU  34           HA       GLU  34  10.879  11.705  -9.639
  257    HB2  GLU  34           HB3      GLU  34   9.808  11.575 -11.848
  258    HB3  GLU  34           HB2      GLU  34   8.313  11.057 -11.127
  259    HG2  GLU  34           HG3      GLU  34   8.360  13.256  -9.826
  260    HG3  GLU  34           HG2      GLU  34   9.663  13.732 -10.939
  261    H    LYS  35           H        LYS  35   8.212   9.783  -9.387
  262    HA   LYS  35           HA       LYS  35   6.926  11.237  -7.289
  263    HB2  LYS  35           HB3      LYS  35   6.148   8.679  -8.652
  264    HB3  LYS  35           HB2      LYS  35   5.180   9.399  -7.376
  265    HG2  LYS  35           HG3      LYS  35   6.011  10.962  -9.791
  266    HG3  LYS  35           HG2      LYS  35   4.497  10.056  -9.674
  267    HD2  LYS  35           HD3      LYS  35   3.754  11.242  -7.815
  268    HD3  LYS  35           HD2      LYS  35   5.330  11.965  -7.522
  269    HE2  LYS  35           HE3      LYS  35   3.593  12.566  -9.927
  270    HE3  LYS  35           HE2      LYS  35   3.626  13.523  -8.439
  271    HZ1  LYS  35           HZ1      LYS  35   5.995  13.785  -8.754
  272    HZ2  LYS  35           HZ2      LYS  35   5.098  14.556  -9.949
  273    HZ3  LYS  35           HZ3      LYS  35   5.890  13.130 -10.351
  274    H    SER  36           H        SER  36   8.385   8.011  -7.299
  275    HA   SER  36           HA       SER  36   8.137   7.428  -4.681
  276    HB2  SER  36           HB3      SER  36   9.028   5.939  -6.328
  277    HB3  SER  36           HB2      SER  36  10.485   6.937  -6.535
  278    HG   SER  36           HG       SER  36  10.691   6.532  -4.154
  279    H    GLU  37           H        GLU  37  10.052   9.689  -6.085
  280    HA   GLU  37           HA       GLU  37  12.078  10.213  -4.204
  281    HB2  GLU  37           HB3      GLU  37  10.750  12.395  -5.795
  282    HB3  GLU  37           HB2      GLU  37  12.296  12.546  -4.965
  283    HG2  GLU  37           HG3      GLU  37  11.672  10.632  -7.118
  284    HG3  GLU  37           HG2      GLU  37  12.440  12.205  -7.432
  285    H    GLU  38           H        GLU  38   8.852  12.000  -4.542
  286    HA   GLU  38           HA       GLU  38   9.069  13.280  -2.127
  287    HB2  GLU  38           HB3      GLU  38   7.002  14.239  -2.986
  288    HB3  GLU  38           HB2      GLU  38   8.333  14.317  -4.147
  289    HG2  GLU  38           HG3      GLU  38   7.333  12.332  -5.334
  290    HG3  GLU  38           HG2      GLU  38   6.025  12.367  -4.202
  291    H    ILE  39           H        ILE  39   8.552  10.200  -2.150
  292    HA   ILE  39           HA       ILE  39   5.967  10.270  -0.934
  293    HB   ILE  39           HB       ILE  39   7.624   7.931  -1.836
  294   HG12  ILE  39          HG13      ILE  39   4.887   8.932  -2.605
  295   HG13  ILE  39          HG12      ILE  39   6.389   9.316  -3.476
  296   HG21  ILE  39          HG21      ILE  39   4.945   7.850  -0.416
  297   HG22  ILE  39          HG22      ILE  39   6.452   7.243   0.271
  298   HG23  ILE  39          HG23      ILE  39   5.759   6.474  -1.167
  299   HD11  ILE  39          HD11      ILE  39   5.328   6.565  -3.022
  300   HD12  ILE  39          HD12      ILE  39   6.481   7.139  -4.243
  301   HD13  ILE  39          HD13      ILE  39   4.790   7.655  -4.318
  302    H    THR  40           H        THR  40   6.991  11.686   0.539
  303    HA   THR  40           HA       THR  40   8.366  10.464   2.750
  304    HB   THR  40           HB       THR  40   9.130  12.540   1.975
  305    HG1  THR  40           HG1      THR  40   7.966  12.562   4.515
  306   HG21  THR  40          HG21      THR  40   7.852  14.168   1.217
  307   HG22  THR  40          HG22      THR  40   6.968  14.326   2.751
  308   HG23  THR  40          HG23      THR  40   6.490  13.115   1.546
  309    H    THR  41           H        THR  41   5.494   9.866   2.277
  310    HA   THR  41           HA       THR  41   4.953   9.377   4.906
  311    HB   THR  41           HB       THR  41   4.126  11.531   5.156
  312    HG1  THR  41           HG1      THR  41   2.590  10.705   6.363
  313   HG21  THR  41          HG21      THR  41   2.160  11.066   2.916
  314   HG22  THR  41          HG22      THR  41   3.560  12.126   2.842
  315   HG23  THR  41          HG23      THR  41   2.198  12.508   3.917
  316    H    GLY  42           H        GLY  42   3.298   7.990   5.253
  317    HA2  GLY  42           HA3      GLY  42   3.235   6.024   3.194
  318    HA3  GLY  42           HA2      GLY  42   2.220   5.931   4.645
  319    H    SER  43           H        SER  43   0.488   8.092   4.423
  320    HA   SER  43           HA       SER  43  -1.345   7.433   2.647
  321    HB2  SER  43           HB3      SER  43  -0.632  10.127   3.803
  322    HB3  SER  43           HB2      SER  43  -2.200   9.688   3.130
  323    HG   SER  43           HG       SER  43  -2.697   8.752   4.906
  324    H    ALA  44           H        ALA  44   1.297   9.549   2.265
  325    HA   ALA  44           HA       ALA  44   0.681  10.930  -0.103
  326    HB1  ALA  44           HB1      ALA  44   2.851  11.655  -0.295
  327    HB2  ALA  44           HB2      ALA  44   3.523  10.051  -0.019
  328    HB3  ALA  44           HB3      ALA  44   2.941  10.995   1.342
  329    H    TRP  45           H        TRP  45   2.437   7.863   0.137
  330    HA   TRP  45           HA       TRP  45   2.557   7.349  -2.629
  331    HB2  TRP  45           HB3      TRP  45   3.918   6.172  -0.871
  332    HB3  TRP  45           HB2      TRP  45   2.447   5.345  -0.376
  333    HD1  TRP  45           HD1      TRP  45   3.906   5.800  -3.951
  334    HE1  TRP  45           HE1      TRP  45   3.896   3.387  -5.028
  335    HE3  TRP  45           HE3      TRP  45   2.333   3.097   0.023
  336    HZ2  TRP  45           HZ2      TRP  45   3.386   0.842  -4.278
  337    HZ3  TRP  45           HZ3      TRP  45   2.120   0.705  -0.196
  338    HH2  TRP  45           HH2      TRP  45   2.649  -0.413  -2.349
  339    H    PHE  46           H        PHE  46   0.175   6.293  -0.231
  340    HA   PHE  46           HA       PHE  46  -1.283   4.882  -2.141
  341    HB2  PHE  46           HB3      PHE  46  -2.269   6.330   0.301
  342    HB3  PHE  46           HB2      PHE  46  -3.279   5.292  -0.717
  343    HD1  PHE  46           HD1      PHE  46  -2.201   2.990  -1.219
  344    HD2  PHE  46           HD2      PHE  46  -1.402   5.403   2.228
  345    HE1  PHE  46           HE1      PHE  46  -1.618   0.974   0.047
  346    HE2  PHE  46           HE2      PHE  46  -0.862   3.397   3.504
  347    HZ   PHE  46           HZ       PHE  46  -0.964   1.151   2.341
  348    H    SER  47           H        SER  47  -1.588   7.978  -1.035
  349    HA   SER  47           HA       SER  47  -3.625   8.907  -2.782
  350    HB2  SER  47           HB3      SER  47  -1.570  10.639  -1.464
  351    HB3  SER  47           HB2      SER  47  -3.003  11.248  -2.309
  352    HG   SER  47           HG       SER  47  -4.131   9.637  -0.925
  353    H    PHE  48           H        PHE  48  -0.269   8.770  -3.523
  354    HA   PHE  48           HA       PHE  48  -0.474  10.126  -6.045
  355    HB2  PHE  48           HB3      PHE  48   1.718   9.799  -5.061
  356    HB3  PHE  48           HB2      PHE  48   1.441   8.066  -4.951
  357    HD1  PHE  48           HD1      PHE  48   1.291  10.720  -7.566
  358    HD2  PHE  48           HD2      PHE  48   2.296   6.811  -6.433
  359    HE1  PHE  48           HE1      PHE  48   2.051  10.299  -9.850
  360    HE2  PHE  48           HE2      PHE  48   3.125   6.342  -8.744
  361    HZ   PHE  48           HZ       PHE  48   2.978   8.140 -10.451
  362    H    LEU  49           H        LEU  49  -0.298   6.708  -4.976
  363    HA   LEU  49           HA       LEU  49  -0.599   5.418  -7.276
  364    HB2  LEU  49           HB3      LEU  49  -0.082   4.936  -4.883
  365    HB3  LEU  49           HB2      LEU  49  -1.819   4.642  -4.674
  366    HG   LEU  49           HG       LEU  49  -1.513   2.542  -6.218
  367   HD11  LEU  49          HD11      LEU  49   0.271   2.439  -7.499
  368   HD12  LEU  49          HD12      LEU  49   1.320   2.657  -6.103
  369   HD13  LEU  49          HD13      LEU  49   0.711   4.060  -6.989
  370   HD21  LEU  49          HD21      LEU  49   0.203   1.459  -4.669
  371   HD22  LEU  49          HD22      LEU  49  -1.266   2.076  -3.931
  372   HD23  LEU  49          HD23      LEU  49   0.211   2.998  -3.796
  373    H    GLU  50           H        GLU  50  -3.043   6.177  -4.914
  374    HA   GLU  50           HA       GLU  50  -5.581   5.691  -5.978
  375    HB2  GLU  50           HB3      GLU  50  -5.006   8.323  -4.578
  376    HB3  GLU  50           HB2      GLU  50  -6.611   7.693  -4.886
  377    HG2  GLU  50           HG3      GLU  50  -6.168   5.909  -3.255
  378    HG3  GLU  50           HG2      GLU  50  -4.558   6.564  -2.973
  379    H    SER  51           H        SER  51  -3.940   8.326  -6.319
  380    HA   SER  51           HA       SER  51  -5.485   9.968  -8.147
  381    HB2  SER  51           HB3      SER  51  -2.451  10.196  -8.099
  382    HB3  SER  51           HB2      SER  51  -3.557  11.359  -8.844
  383    HG   SER  51           HG       SER  51  -3.398  10.622  -6.125
  384    H    HIS  52           H        HIS  52  -3.226   7.457  -8.819
  385    HA   HIS  52           HA       HIS  52  -3.905   7.660 -11.649
  386    HB2  HIS  52           HB3      HIS  52  -1.579   6.282 -10.349
  387    HB3  HIS  52           HB2      HIS  52  -1.905   6.060 -12.100
  388    HD1  HIS  52           HD1      HIS  52   0.312   7.238 -12.819
  389    HD2  HIS  52           HD2      HIS  52  -1.881   9.205  -9.997
  390    HE1  HIS  52           HE1      HIS  52   1.497   9.450 -12.579
  391    H    ASN  53           H        ASN  53  -3.932   5.369 -12.697
  392    HA   ASN  53           HA       ASN  53  -6.017   3.951 -11.256
  393    HB2  ASN  53           HB3      ASN  53  -4.969   3.449 -14.076
  394    HB3  ASN  53           HB2      ASN  53  -6.308   2.614 -13.320
  395   HD21  ASN  53          HD22      ASN  53  -5.664   4.875 -15.539
  396   HD22  ASN  53          HD21      ASN  53  -7.062   5.859 -15.368
  397    H    LYS  54           H        LYS  54  -3.682   3.672  -9.899
  398    HA   LYS  54           HA       LYS  54  -2.887   0.928 -10.575
  399    HB2  LYS  54           HB3      LYS  54  -1.425   2.638  -8.514
  400    HB3  LYS  54           HB2      LYS  54  -0.932   1.063  -9.072
  401    HG2  LYS  54           HG3      LYS  54  -0.703   3.700 -10.547
  402    HG3  LYS  54           HG2      LYS  54   0.503   2.507 -10.022
  403    HD2  LYS  54           HD3      LYS  54  -1.520   1.859 -12.143
  404    HD3  LYS  54           HD2      LYS  54   0.037   2.587 -12.483
  405    HE2  LYS  54           HE3      LYS  54  -0.312  -0.006 -11.009
  406    HE3  LYS  54           HE2      LYS  54  -0.039   0.093 -12.748
  407    HZ1  LYS  54           HZ1      LYS  54   1.853   0.908 -10.594
  408    HZ2  LYS  54           HZ2      LYS  54   2.096   1.224 -12.252
  409    HZ3  LYS  54           HZ3      LYS  54   1.957  -0.347 -11.695
  410    H    LEU  55           H        LEU  55  -4.819   2.733  -8.457
  411    HA   LEU  55           HA       LEU  55  -5.614   0.360  -6.983
  412    HB2  LEU  55           HB3      LEU  55  -3.589   0.813  -5.827
  413    HB3  LEU  55           HB2      LEU  55  -3.906   2.508  -5.700
  414    HG   LEU  55           HG       LEU  55  -5.357   0.366  -4.049
  415   HD11  LEU  55          HD11      LEU  55  -3.445   2.164  -2.759
  416   HD12  LEU  55          HD12      LEU  55  -2.751   1.009  -3.892
  417   HD13  LEU  55          HD13      LEU  55  -3.751   0.438  -2.545
  418   HD21  LEU  55          HD21      LEU  55  -5.633   2.369  -2.491
  419   HD22  LEU  55          HD22      LEU  55  -6.666   2.352  -3.923
  420   HD23  LEU  55          HD23      LEU  55  -5.238   3.376  -3.897
  421    H    ASP  56           H        ASP  56  -7.695   0.561  -7.142
  422    HA   ASP  56           HA       ASP  56  -9.113   2.938  -6.322
  423    HB2  ASP  56           HB3      ASP  56 -10.301   0.322  -7.286
  424    HB3  ASP  56           HB2      ASP  56 -11.280   1.490  -6.456
  425    H    LYS  57           H        LYS  57 -11.139   2.221  -4.880
  426    HA   LYS  57           HA       LYS  57 -10.309   1.855  -2.220
  427    HB2  LYS  57           HB3      LYS  57 -12.625   1.735  -1.612
  428    HB3  LYS  57           HB2      LYS  57 -12.507   2.876  -2.934
  429    HG2  LYS  57           HG3      LYS  57 -13.258   0.007  -3.167
  430    HG3  LYS  57           HG2      LYS  57 -14.436   1.344  -3.141
  431    HD2  LYS  57           HD3      LYS  57 -13.477   2.186  -5.206
  432    HD3  LYS  57           HD2      LYS  57 -12.223   0.921  -5.027
  433    HE2  LYS  57           HE3      LYS  57 -13.977   0.343  -6.790
  434    HE3  LYS  57           HE2      LYS  57 -13.675  -0.819  -5.504
  435    HZ1  LYS  57           HZ1      LYS  57 -16.063   0.049  -6.303
  436    HZ2  LYS  57           HZ2      LYS  57 -15.837   0.975  -4.869
  437    HZ3  LYS  57           HZ3      LYS  57 -15.659  -0.703  -4.836
  438    H    ASP  58           H        ASP  58 -11.358  -0.632  -4.575
  439    HA   ASP  58           HA       ASP  58 -11.167  -2.642  -2.477
  440    HB2  ASP  58           HB3      ASP  58 -12.394  -2.906  -5.219
  441    HB3  ASP  58           HB2      ASP  58 -12.145  -4.258  -4.163
  442    H    ASN  59           H        ASN  59  -9.750  -1.677  -5.331
  443    HA   ASN  59           HA       ASN  59  -8.318  -4.162  -5.549
  444    HB2  ASN  59           HB3      ASN  59  -8.069  -1.614  -7.166
  445    HB3  ASN  59           HB2      ASN  59  -7.281  -3.164  -7.537
  446   HD21  ASN  59          HD22      ASN  59 -10.072  -1.328  -7.862
  447   HD22  ASN  59          HD21      ASN  59 -11.099  -2.569  -8.478
  448    H    LEU  60           H        LEU  60  -6.766  -4.628  -4.687
  449    HA   LEU  60           HA       LEU  60  -4.929  -2.724  -3.400
  450    HB2  LEU  60           HB3      LEU  60  -4.868  -4.062  -1.415
  451    HB3  LEU  60           HB2      LEU  60  -6.523  -3.651  -1.805
  452    HG   LEU  60           HG       LEU  60  -5.216  -6.378  -2.139
  453   HD11  LEU  60          HD11      LEU  60  -5.679  -6.524   0.023
  454   HD12  LEU  60          HD12      LEU  60  -7.370  -6.648  -0.498
  455   HD13  LEU  60          HD13      LEU  60  -6.704  -5.081  -0.037
  456   HD21  LEU  60          HD21      LEU  60  -7.915  -6.792  -2.315
  457   HD22  LEU  60          HD22      LEU  60  -6.787  -6.742  -3.685
  458   HD23  LEU  60          HD23      LEU  60  -7.676  -5.289  -3.216
  459    H    SER  61           H        SER  61  -5.238  -5.540  -5.065
  460    HA   SER  61           HA       SER  61  -3.088  -7.082  -4.484
  461    HB2  SER  61           HB3      SER  61  -4.071  -6.686  -7.307
  462    HB3  SER  61           HB2      SER  61  -3.175  -8.087  -6.694
  463    HG   SER  61           HG       SER  61  -4.846  -8.649  -5.436
  464    H    TYR  62           H        TYR  62  -2.937  -4.293  -6.329
  465    HA   TYR  62           HA       TYR  62  -0.302  -4.257  -7.371
  466    HB2  TYR  62           HB3      TYR  62  -1.904  -2.360  -7.776
  467    HB3  TYR  62           HB2      TYR  62  -1.771  -1.896  -6.084
  468    HD1  TYR  62           HD1      TYR  62   0.088  -2.025  -9.264
  469    HD2  TYR  62           HD2      TYR  62   0.059  -0.569  -5.268
  470    HE1  TYR  62           HE1      TYR  62   2.131  -0.711  -9.679
  471    HE2  TYR  62           HE2      TYR  62   2.144   0.558  -5.650
  472    HH   TYR  62           HH       TYR  62   4.081   0.086  -8.215
  473    H    ILE  63           H        ILE  63  -1.554  -3.144  -4.318
  474    HA   ILE  63           HA       ILE  63   0.998  -2.529  -3.126
  475    HB   ILE  63           HB       ILE  63  -0.149  -1.512  -1.360
  476   HG12  ILE  63          HG13      ILE  63  -2.739  -2.695  -2.340
  477   HG13  ILE  63          HG12      ILE  63  -1.836  -3.422  -1.018
  478   HG21  ILE  63          HG21      ILE  63  -1.244  -1.260  -3.996
  479   HG22  ILE  63          HG22      ILE  63  -0.241  -0.131  -3.036
  480   HG23  ILE  63          HG23      ILE  63  -1.968  -0.370  -2.661
  481   HD11  ILE  63          HD11      ILE  63  -3.092  -2.082   0.226
  482   HD12  ILE  63          HD12      ILE  63  -3.378  -0.923  -1.111
  483   HD13  ILE  63          HD13      ILE  63  -1.826  -0.929  -0.261
  484    H    GLU  64           H        GLU  64  -1.161  -5.095  -3.154
  485    HA   GLU  64           HA       GLU  64  -0.543  -6.286  -0.605
  486    HB2  GLU  64           HB3      GLU  64  -2.591  -6.866  -1.971
  487    HB3  GLU  64           HB2      GLU  64  -1.537  -7.606  -3.147
  488    HG2  GLU  64           HG3      GLU  64  -0.843  -9.276  -1.496
  489    HG3  GLU  64           HG2      GLU  64  -1.889  -8.473  -0.308
  490    H    HIS  65           H        HIS  65   0.509  -7.022  -3.928
  491    HA   HIS  65           HA       HIS  65   2.753  -8.613  -3.439
  492    HB2  HIS  65           HB3      HIS  65   1.670  -8.021  -5.577
  493    HB3  HIS  65           HB2      HIS  65   2.170  -6.349  -5.320
  494    HD1  HIS  65           HD1      HIS  65   3.876  -9.749  -5.714
  495    HD2  HIS  65           HD2      HIS  65   4.335  -5.721  -6.586
  496    HE1  HIS  65           HE1      HIS  65   5.965  -9.638  -7.073
  497    H    ILE  66           H        ILE  66   2.816  -5.222  -3.827
  498    HA   ILE  66           HA       ILE  66   5.335  -4.745  -3.268
  499    HB   ILE  66           HB       ILE  66   3.188  -3.130  -1.992
  500   HG12  ILE  66          HG13      ILE  66   2.889  -3.518  -4.191
  501   HG13  ILE  66          HG12      ILE  66   3.190  -1.746  -4.127
  502   HG21  ILE  66          HG21      ILE  66   6.139  -2.320  -2.434
  503   HG22  ILE  66          HG22      ILE  66   5.272  -2.323  -0.934
  504   HG23  ILE  66          HG23      ILE  66   4.879  -1.137  -2.144
  505   HD11  ILE  66          HD11      ILE  66   4.308  -2.369  -5.942
  506   HD12  ILE  66          HD12      ILE  66   4.595  -4.033  -5.387
  507   HD13  ILE  66          HD13      ILE  66   5.604  -2.716  -4.768
  508    H    PHE  67           H        PHE  67   2.831  -5.153  -0.616
  509    HA   PHE  67           HA       PHE  67   4.757  -4.868   1.212
  510    HB2  PHE  67           HB3      PHE  67   2.027  -6.077   1.466
  511    HB3  PHE  67           HB2      PHE  67   3.103  -5.646   2.802
  512    HD1  PHE  67           HD1      PHE  67   4.068  -3.146   2.567
  513    HD2  PHE  67           HD2      PHE  67   0.468  -4.626   0.963
  514    HE1  PHE  67           HE1      PHE  67   3.196  -0.828   2.439
  515    HE2  PHE  67           HE2      PHE  67  -0.432  -2.355   0.829
  516    HZ   PHE  67           HZ       PHE  67   0.931  -0.437   1.575
  517    H    GLU  68           H        GLU  68   3.930  -7.785  -0.742
  518    HA   GLU  68           HA       GLU  68   4.977  -9.585   1.194
  519    HB2  GLU  68           HB3      GLU  68   3.443 -10.431  -0.503
  520    HB3  GLU  68           HB2      GLU  68   4.455  -9.800  -1.789
  521    HG2  GLU  68           HG3      GLU  68   6.261 -11.313  -1.080
  522    HG3  GLU  68           HG2      GLU  68   5.195 -11.957   0.161
  523    H    ILE  69           H        ILE  69   6.037  -8.233  -1.901
  524    HA   ILE  69           HA       ILE  69   8.476  -9.333  -1.880
  525    HB   ILE  69           HB       ILE  69   9.157  -7.751  -3.602
  526   HG12  ILE  69          HG13      ILE  69   6.466  -6.457  -3.092
  527   HG13  ILE  69          HG12      ILE  69   8.047  -5.720  -2.791
  528   HG21  ILE  69          HG21      ILE  69   7.589  -8.557  -5.198
  529   HG22  ILE  69          HG22      ILE  69   6.357  -8.714  -3.969
  530   HG23  ILE  69          HG23      ILE  69   7.771  -9.793  -3.945
  531   HD11  ILE  69          HD11      ILE  69   6.526  -5.683  -5.105
  532   HD12  ILE  69          HD12      ILE  69   7.892  -6.773  -5.365
  533   HD13  ILE  69          HD13      ILE  69   8.209  -5.092  -4.874
  534    H    SER  70           H        SER  70   7.544  -6.383  -0.424
  535    HA   SER  70           HA       SER  70  10.244  -5.656   0.285
  536    HB2  SER  70           HB3      SER  70   8.654  -3.912  -0.294
  537    HB3  SER  70           HB2      SER  70   7.566  -4.454   0.988
  538    HG   SER  70           HG       SER  70   8.966  -2.620   1.466
  539    H    ARG  71           H        ARG  71  10.991  -5.815   2.367
  540    HA   ARG  71           HA       ARG  71   9.898  -7.907   3.916
  541    HB2  ARG  71           HB3      ARG  71  12.306  -6.198   4.412
  542    HB3  ARG  71           HB2      ARG  71  11.850  -7.550   5.451
  543    HG2  ARG  71           HG3      ARG  71  12.427  -7.673   2.539
  544    HG3  ARG  71           HG2      ARG  71  13.564  -8.184   3.801
  545    HD2  ARG  71           HD3      ARG  71  11.862  -9.897   4.483
  546    HD3  ARG  71           HD2      ARG  71  10.813  -9.373   3.168
  547    HE   ARG  71           HE       ARG  71  12.026 -10.578   1.751
  548   HH11  ARG  71          HH11      ARG  71  13.950 -10.386   4.786
  549   HH12  ARG  71          HH12      ARG  71  15.329 -11.075   4.086
  550   HH21  ARG  71          HH22      ARG  71  14.065 -11.586   0.860
  551   HH22  ARG  71          HH21      ARG  71  15.411 -11.693   1.921
  552    H    ARG  72           H        ARG  72   7.982  -6.578   4.055
  553    HA   ARG  72           HA       ARG  72   7.549  -5.529   6.732
  554    HB2  ARG  72           HB3      ARG  72   6.968  -4.048   4.184
  555    HB3  ARG  72           HB2      ARG  72   5.895  -3.854   5.552
  556    HG2  ARG  72           HG3      ARG  72   8.825  -3.363   5.764
  557    HG3  ARG  72           HG2      ARG  72   7.692  -2.111   5.187
  558    HD2  ARG  72           HD3      ARG  72   8.072  -1.787   7.523
  559    HD3  ARG  72           HD2      ARG  72   6.441  -2.417   7.295
  560    HE   ARG  72           HE       ARG  72   6.998  -4.190   8.641
  561   HH11  ARG  72          HH11      ARG  72   9.952  -2.455   7.925
  562   HH12  ARG  72          HH12      ARG  72  10.976  -3.663   8.595
  563   HH21  ARG  72          HH22      ARG  72   8.217  -5.671   9.602
  564   HH22  ARG  72          HH21      ARG  72   9.951  -5.585   9.671
  565    HA   PRO  73           HA       PRO  73   4.568  -8.739   5.008
  566    HB2  PRO  73           HB2      PRO  73   4.888 -10.523   7.026
  567    HB3  PRO  73           HB3      PRO  73   5.895 -10.518   5.561
  568    HG2  PRO  73           HG3      PRO  73   6.395  -9.312   8.228
  569    HG3  PRO  73           HG2      PRO  73   7.491 -10.339   7.262
  570    HD2  PRO  73           HD3      PRO  73   7.796  -7.679   7.259
  571    HD3  PRO  73           HD2      PRO  73   7.968  -8.595   5.770
  572    H    ASP  74           H        ASP  74   5.111  -6.909   7.798
  573    HA   ASP  74           HA       ASP  74   2.956  -7.605   9.531
  574    HB2  ASP  74           HB3      ASP  74   4.241  -4.883   9.160
  575    HB3  ASP  74           HB2      ASP  74   3.573  -5.586  10.630
  576    H    LEU  75           H        LEU  75   3.614  -5.211   7.340
  577    HA   LEU  75           HA       LEU  75   1.035  -3.984   7.165
  578    HB2  LEU  75           HB3      LEU  75   3.291  -3.745   5.183
  579    HB3  LEU  75           HB2      LEU  75   1.782  -2.879   5.006
  580    HG   LEU  75           HG       LEU  75   2.285  -1.547   7.082
  581   HD11  LEU  75          HD11      LEU  75   5.039  -2.642   7.198
  582   HD12  LEU  75          HD12      LEU  75   3.768  -3.532   8.010
  583   HD13  LEU  75          HD13      LEU  75   4.072  -1.855   8.442
  584   HD21  LEU  75          HD21      LEU  75   3.254  -1.228   4.654
  585   HD22  LEU  75          HD22      LEU  75   4.774  -1.440   5.525
  586   HD23  LEU  75          HD23      LEU  75   3.665  -0.161   5.987
  587    H    LEU  76           H        LEU  76   2.604  -6.107   5.162
  588    HA   LEU  76           HA       LEU  76   0.690  -6.834   3.128
  589    HB2  LEU  76           HB3      LEU  76   2.863  -8.166   3.363
  590    HB3  LEU  76           HB2      LEU  76   2.019  -9.047   4.674
  591    HG   LEU  76           HG       LEU  76   0.237  -9.405   2.914
  592   HD11  LEU  76          HD11      LEU  76   1.514  -7.952   1.293
  593   HD12  LEU  76          HD12      LEU  76   0.411  -9.249   0.852
  594   HD13  LEU  76          HD13      LEU  76   2.139  -9.530   0.806
  595   HD21  LEU  76          HD21      LEU  76   1.914 -11.392   2.026
  596   HD22  LEU  76          HD22      LEU  76   0.865 -11.417   3.450
  597   HD23  LEU  76          HD23      LEU  76   2.575 -10.956   3.597
  598    H    THR  77           H        THR  77   1.088  -8.272   6.175
  599    HA   THR  77           HA       THR  77  -1.097  -9.866   6.525
  600    HB   THR  77           HB       THR  77   0.378  -8.208   8.493
  601    HG1  THR  77           HG1      THR  77   1.701  -9.692   7.745
  602   HG21  THR  77          HG21      THR  77  -1.943  -9.850   8.817
  603   HG22  THR  77          HG22      THR  77  -1.259  -8.580   9.838
  604   HG23  THR  77          HG23      THR  77  -0.616 -10.260   9.956
  605    H    MET  78           H        MET  78  -0.851  -6.467   7.322
  606    HA   MET  78           HA       MET  78  -3.460  -6.152   8.268
  607    HB2  MET  78           HB3      MET  78  -1.705  -4.046   6.950
  608    HB3  MET  78           HB2      MET  78  -3.170  -3.729   7.847
  609    HG2  MET  78           HG3      MET  78  -0.897  -5.204   9.035
  610    HG3  MET  78           HG2      MET  78  -0.954  -3.428   9.129
  611    HE1  MET  78           HE1      MET  78  -4.077  -6.302  10.770
  612    HE2  MET  78           HE2      MET  78  -2.486  -6.849  11.301
  613    HE3  MET  78           HE3      MET  78  -2.844  -6.666   9.575
  614    H    VAL  79           H        VAL  79  -2.179  -6.044   5.002
  615    HA   VAL  79           HA       VAL  79  -4.571  -5.220   3.652
  616    HB   VAL  79           HB       VAL  79  -2.180  -6.792   2.652
  617   HG11  VAL  79          HG11      VAL  79  -4.411  -5.412   1.275
  618   HG12  VAL  79          HG12      VAL  79  -3.686  -6.976   0.935
  619   HG13  VAL  79          HG13      VAL  79  -2.842  -5.498   0.482
  620   HG21  VAL  79          HG21      VAL  79  -1.214  -4.899   3.521
  621   HG22  VAL  79          HG22      VAL  79  -2.531  -3.834   3.048
  622   HG23  VAL  79          HG23      VAL  79  -1.432  -4.467   1.821
  623    H    VAL  80           H        VAL  80  -2.926  -8.311   4.146
  624    HA   VAL  80           HA       VAL  80  -4.810 -10.078   2.982
  625    HB   VAL  80           HB       VAL  80  -2.928 -10.555   5.341
  626   HG11  VAL  80          HG11      VAL  80  -3.186 -12.866   5.061
  627   HG12  VAL  80          HG12      VAL  80  -4.051 -12.682   3.530
  628   HG13  VAL  80          HG13      VAL  80  -4.811 -12.189   5.056
  629   HG21  VAL  80          HG21      VAL  80  -1.304 -10.379   3.856
  630   HG22  VAL  80          HG22      VAL  80  -2.446 -10.231   2.518
  631   HG23  VAL  80          HG23      VAL  80  -1.938 -11.829   3.064
  632    H    ASP  81           H        ASP  81  -4.447  -9.235   6.178
  633    HA   ASP  81           HA       ASP  81  -6.806 -10.367   7.159
  634    HB2  ASP  81           HB3      ASP  81  -5.170  -8.252   8.545
  635    HB3  ASP  81           HB2      ASP  81  -6.707  -8.712   9.242
  636    H    TYR  82           H        TYR  82  -6.380  -7.176   6.015
  637    HA   TYR  82           HA       TYR  82  -8.960  -6.039   6.355
  638    HB2  TYR  82           HB3      TYR  82  -7.229  -4.705   5.459
  639    HB3  TYR  82           HB2      TYR  82  -7.028  -5.783   4.076
  640    HD1  TYR  82           HD2      TYR  82  -9.607  -3.591   5.689
  641    HD2  TYR  82           HD1      TYR  82  -7.986  -5.325   2.194
  642    HE1  TYR  82           HE2      TYR  82 -11.130  -2.256   4.347
  643    HE2  TYR  82           HE1      TYR  82  -9.480  -3.996   0.795
  644    HH   TYR  82           HH       TYR  82 -10.913  -2.193   0.834
  645    H    ARG  83           H        ARG  83  -7.619  -7.920   3.641
  646    HA   ARG  83           HA       ARG  83  -9.771  -8.074   1.962
  647    HB2  ARG  83           HB3      ARG  83  -7.642  -8.603   1.185
  648    HB3  ARG  83           HB2      ARG  83  -7.292  -9.634   2.540
  649    HG2  ARG  83           HG3      ARG  83  -9.237 -10.423   0.421
  650    HG3  ARG  83           HG2      ARG  83  -7.481 -10.681   0.210
  651    HD2  ARG  83           HD3      ARG  83  -7.575 -11.966   2.367
  652    HD3  ARG  83           HD2      ARG  83  -9.342 -11.803   2.291
  653    HE   ARG  83           HE       ARG  83  -8.431 -12.873  -0.111
  654   HH11  ARG  83          HH11      ARG  83  -8.801 -13.857   3.318
  655   HH12  ARG  83          HH12      ARG  83  -8.898 -15.516   2.932
  656   HH21  ARG  83          HH22      ARG  83  -8.458 -15.228  -0.541
  657   HH22  ARG  83          HH21      ARG  83  -8.611 -16.301   0.765
  658    H    THR  84           H        THR  84  -8.833 -10.115   4.315
  659    HA   THR  84           HA       THR  84 -11.003 -11.977   4.270
  660    HB   THR  84           HB       THR  84  -9.289 -11.252   6.552
  661    HG1  THR  84           HG1      THR  84  -7.841 -11.973   5.116
  662   HG21  THR  84          HG21      THR  84 -10.792 -13.720   5.892
  663   HG22  THR  84          HG22      THR  84 -11.163 -12.453   7.080
  664   HG23  THR  84          HG23      THR  84  -9.725 -13.474   7.336
  665    H    ARG  85           H        ARG  85 -10.328  -9.770   6.533
  666    HA   ARG  85           HA       ARG  85 -12.522  -9.811   8.109
  667    HB2  ARG  85           HB3      ARG  85 -11.998  -7.804   9.392
  668    HB3  ARG  85           HB2      ARG  85 -10.483  -8.501   8.857
  669    HG2  ARG  85           HG3      ARG  85 -10.164  -6.210   8.624
  670    HG3  ARG  85           HG2      ARG  85 -10.600  -6.773   6.990
  671    HD2  ARG  85           HD3      ARG  85 -11.893  -4.779   7.470
  672    HD3  ARG  85           HD2      ARG  85 -12.907  -6.233   7.455
  673    HE   ARG  85           HE       ARG  85 -13.366  -5.988   9.647
  674   HH11  ARG  85          HH11      ARG  85 -11.256  -3.289   8.949
  675   HH12  ARG  85          HH12      ARG  85 -10.709  -3.048  10.536
  676   HH21  ARG  85          HH22      ARG  85 -12.619  -5.669  11.979
  677   HH22  ARG  85          HH21      ARG  85 -11.513  -4.397  12.266
  678    H    VAL  86           H        VAL  86 -12.153  -7.631   5.715
  679    HA   VAL  86           HA       VAL  86 -14.772  -6.461   5.594
  680    HB   VAL  86           HB       VAL  86 -12.805  -6.709   3.341
  681   HG11  VAL  86          HG11      VAL  86 -14.655  -6.125   2.072
  682   HG12  VAL  86          HG12      VAL  86 -14.328  -4.500   2.710
  683   HG13  VAL  86          HG13      VAL  86 -15.542  -5.550   3.470
  684   HG21  VAL  86          HG21      VAL  86 -13.179  -4.943   5.607
  685   HG22  VAL  86          HG22      VAL  86 -12.948  -4.076   4.075
  686   HG23  VAL  86          HG23      VAL  86 -11.747  -5.238   4.637
  687    H    LEU  87           H        LEU  87 -13.446  -9.263   4.106
  688    HA   LEU  87           HA       LEU  87 -15.619 -10.120   2.537
  689    HB2  LEU  87           HB3      LEU  87 -13.418 -10.920   2.249
  690    HB3  LEU  87           HB2      LEU  87 -13.261 -11.256   3.954
  691    HG   LEU  87           HG       LEU  87 -14.488 -13.180   3.809
  692   HD11  LEU  87          HD11      LEU  87 -14.947 -12.369   0.877
  693   HD12  LEU  87          HD12      LEU  87 -16.199 -12.718   2.069
  694   HD13  LEU  87          HD13      LEU  87 -15.195 -14.025   1.413
  695   HD21  LEU  87          HD21      LEU  87 -12.066 -12.993   2.984
  696   HD22  LEU  87          HD22      LEU  87 -12.730 -13.434   1.404
  697   HD23  LEU  87          HD23      LEU  87 -12.914 -14.503   2.791
  698    H    LYS  88           H        LYS  88 -14.550 -10.837   5.795
  699    HA   LYS  88           HA       LYS  88 -16.690 -12.414   6.540
  700    HB2  LYS  88           HB3      LYS  88 -14.465 -12.368   7.674
  701    HB3  LYS  88           HB2      LYS  88 -14.883 -10.816   8.365
  702    HG2  LYS  88           HG3      LYS  88 -15.206 -12.587   9.990
  703    HG3  LYS  88           HG2      LYS  88 -16.730 -11.805   9.551
  704    HD2  LYS  88           HD3      LYS  88 -17.229 -13.636   7.995
  705    HD3  LYS  88           HD2      LYS  88 -15.699 -14.389   8.399
  706    HE2  LYS  88           HE3      LYS  88 -17.968 -13.890  10.334
  707    HE3  LYS  88           HE2      LYS  88 -17.577 -15.441   9.586
  708    HZ1  LYS  88           HZ1      LYS  88 -15.708 -13.929  11.346
  709    HZ2  LYS  88           HZ2      LYS  88 -15.546 -15.519  10.737
  710    HZ3  LYS  88           HZ3      LYS  88 -16.768 -15.122  11.870
  711    H    ILE  89           H        ILE  89 -16.374  -8.891   6.727
  712    HA   ILE  89           HA       ILE  89 -18.605  -8.448   8.406
  713    HB   ILE  89           HB       ILE  89 -17.041  -6.768   6.457
  714   HG12  ILE  89          HG13      ILE  89 -17.043  -6.772   9.483
  715   HG13  ILE  89          HG12      ILE  89 -15.763  -7.358   8.408
  716   HG21  ILE  89          HG21      ILE  89 -18.172  -4.818   7.670
  717   HG22  ILE  89          HG22      ILE  89 -19.441  -6.062   7.916
  718   HG23  ILE  89          HG23      ILE  89 -18.845  -5.694   6.277
  719   HD11  ILE  89          HD11      ILE  89 -14.908  -5.328   8.127
  720   HD12  ILE  89          HD12      ILE  89 -15.850  -4.898   9.556
  721   HD13  ILE  89          HD13      ILE  89 -16.485  -4.587   7.929
  722    H    SER  90           H        SER  90 -17.990  -8.310   4.928
  723    HA   SER  90           HA       SER  90 -20.776  -7.763   4.399
  724    HB2  SER  90           HB3      SER  90 -18.425  -8.064   2.542
  725    HB3  SER  90           HB2      SER  90 -20.070  -7.606   2.042
  726    HG   SER  90           HG       SER  90 -18.766  -6.207   4.084
  Start of MODEL    6
    1    H1   MET   1           H        MET   1 -15.159   0.178   2.191
    2    H2   MET   1           H2       MET   1 -16.348   1.064   1.478
    3    H3   MET   1           H3       MET   1 -15.449  -0.006   0.562
    4    HA   MET   1           HA       MET   1 -13.646   1.364   0.356
    5    HB2  MET   1           HB3      MET   1 -15.769   3.373   1.147
    6    HB3  MET   1           HB2      MET   1 -14.301   3.747   0.276
    7    HG2  MET   1           HG3      MET   1 -15.064   2.336  -1.584
    8    HG3  MET   1           HG2      MET   1 -16.577   2.055  -0.713
    9    HE1  MET   1           HE1      MET   1 -18.395   4.181  -0.203
   10    HE2  MET   1           HE2      MET   1 -17.806   5.830  -0.453
   11    HE3  MET   1           HE3      MET   1 -16.996   4.768   0.689
   12    H    ALA   2           H        ALA   2 -15.416   2.415   3.146
   13    HA   ALA   2           HA       ALA   2 -13.353   3.947   4.322
   14    HB1  ALA   2           HB1      ALA   2 -15.083   2.749   6.420
   15    HB2  ALA   2           HB2      ALA   2 -15.931   3.591   5.119
   16    HB3  ALA   2           HB3      ALA   2 -14.720   4.443   6.078
   17    H    GLU   3           H        GLU   3 -14.154   0.818   5.429
   18    HA   GLU   3           HA       GLU   3 -12.016   0.329   7.013
   19    HB2  GLU   3           HB3      GLU   3 -13.234  -1.629   5.091
   20    HB3  GLU   3           HB2      GLU   3 -11.963  -2.132   6.199
   21    HG2  GLU   3           HG3      GLU   3 -14.564  -0.899   7.011
   22    HG3  GLU   3           HG2      GLU   3 -14.229  -2.649   6.990
   23    H    TYR   4           H        TYR   4 -12.041   0.160   3.798
   24    HA   TYR   4           HA       TYR   4  -9.324  -0.616   3.214
   25    HB2  TYR   4           HB3      TYR   4 -10.968  -0.454   1.334
   26    HB3  TYR   4           HB2      TYR   4 -10.764   1.318   1.344
   27    HD1  TYR   4           HD1      TYR   4  -8.638  -1.719   1.451
   28    HD2  TYR   4           HD2      TYR   4  -9.373   2.007  -0.478
   29    HE1  TYR   4           HE1      TYR   4  -6.758  -2.134  -0.041
   30    HE2  TYR   4           HE2      TYR   4  -7.464   1.584  -1.959
   31    HH   TYR   4           HH       TYR   4  -6.307  -0.660  -2.812
   32    H    GLY   5           H        GLY   5 -10.833   2.417   3.460
   33    HA2  GLY   5           HA3      GLY   5  -8.712   4.291   3.314
   34    HA3  GLY   5           HA2      GLY   5 -10.120   4.592   4.309
   35    H    THR   6           H        THR   6  -9.911   2.622   6.329
   36    HA   THR   6           HA       THR   6  -7.850   3.564   8.025
   37    HB   THR   6           HB       THR   6  -9.396   0.998   8.154
   38    HG1  THR   6           HG1      THR   6 -11.024   2.264   9.245
   39   HG21  THR   6          HG21      THR   6  -9.354   1.944  10.641
   40   HG22  THR   6          HG22      THR   6  -7.907   2.720   9.970
   41   HG23  THR   6          HG23      THR   6  -8.050   0.960   9.923
   42    H    LEU   7           H        LEU   7  -8.326   0.714   6.287
   43    HA   LEU   7           HA       LEU   7  -6.125  -0.857   6.865
   44    HB2  LEU   7           HB3      LEU   7  -7.560  -1.692   5.142
   45    HB3  LEU   7           HB2      LEU   7  -7.087  -0.407   4.047
   46    HG   LEU   7           HG       LEU   7  -4.802  -1.353   4.001
   47   HD11  LEU   7          HD11      LEU   7  -4.456  -2.533   5.879
   48   HD12  LEU   7          HD12      LEU   7  -4.795  -3.825   4.723
   49   HD13  LEU   7          HD13      LEU   7  -6.045  -3.291   5.840
   50   HD21  LEU   7          HD21      LEU   7  -6.283  -3.664   3.115
   51   HD22  LEU   7          HD22      LEU   7  -5.422  -2.430   2.171
   52   HD23  LEU   7          HD23      LEU   7  -7.090  -2.163   2.675
   53    H    LEU   8           H        LEU   8  -6.091   1.359   4.422
   54    HA   LEU   8           HA       LEU   8  -3.309   1.547   3.764
   55    HB2  LEU   8           HB3      LEU   8  -5.326   3.791   3.382
   56    HB3  LEU   8           HB2      LEU   8  -3.624   3.873   2.973
   57    HG   LEU   8           HG       LEU   8  -3.797   2.322   1.216
   58   HD11  LEU   8          HD11      LEU   8  -5.163   0.603   1.215
   59   HD12  LEU   8          HD12      LEU   8  -6.524   1.712   1.027
   60   HD13  LEU   8          HD13      LEU   8  -5.979   1.245   2.637
   61   HD21  LEU   8          HD21      LEU   8  -5.559   3.293  -0.222
   62   HD22  LEU   8          HD22      LEU   8  -4.545   4.484   0.583
   63   HD23  LEU   8          HD23      LEU   8  -6.188   4.139   1.184
   64    H    GLN   9           H        GLN   9  -5.157   3.211   6.092
   65    HA   GLN   9           HA       GLN   9  -3.110   4.812   7.187
   66    HB2  GLN   9           HB3      GLN   9  -5.187   5.775   7.250
   67    HB3  GLN   9           HB2      GLN   9  -5.944   4.239   7.656
   68    HG2  GLN   9           HG3      GLN   9  -5.606   4.362   9.641
   69    HG3  GLN   9           HG2      GLN   9  -4.149   5.408   9.689
   70   HE21  GLN   9          HE22      GLN   9  -4.592   7.493  10.071
   71   HE22  GLN   9          HE21      GLN   9  -6.155   8.207  10.296
   72    H    ASP  10           H        ASP  10  -4.152   1.801   7.674
   73    HA   ASP  10           HA       ASP  10  -3.337   1.265  10.416
   74    HB2  ASP  10           HB3      ASP  10  -4.349  -0.628   8.303
   75    HB3  ASP  10           HB2      ASP  10  -3.644  -1.211   9.817
   76    H    LEU  11           H        LEU  11  -2.106   0.634   7.187
   77    HA   LEU  11           HA       LEU  11   0.249  -0.443   8.266
   78    HB2  LEU  11           HB3      LEU  11   0.968  -0.740   6.001
   79    HB3  LEU  11           HB2      LEU  11  -0.553  -1.570   6.329
   80    HG   LEU  11           HG       LEU  11  -1.508   0.597   5.257
   81   HD11  LEU  11          HD11      LEU  11   0.754   0.656   3.468
   82   HD12  LEU  11          HD12      LEU  11   1.158   1.120   5.128
   83   HD13  LEU  11          HD13      LEU  11  -0.117   1.969   4.273
   84   HD21  LEU  11          HD21      LEU  11  -1.870  -0.604   3.321
   85   HD22  LEU  11          HD22      LEU  11  -1.468  -1.888   4.471
   86   HD23  LEU  11          HD23      LEU  11  -0.239  -1.292   3.347
   87    H    THR  12           H        THR  12  -0.952   2.411   7.157
   88    HA   THR  12           HA       THR  12   1.401   4.021   6.805
   89    HB   THR  12           HB       THR  12  -1.485   4.635   7.240
   90    HG1  THR  12           HG1      THR  12  -1.119   4.008   5.243
   91   HG21  THR  12          HG21      THR  12  -0.358   6.811   6.198
   92   HG22  THR  12          HG22      THR  12   0.704   6.415   7.588
   93   HG23  THR  12          HG23      THR  12  -1.069   6.611   7.865
   94    H    ASN  13           H        ASN  13  -0.568   3.205   9.583
   95    HA   ASN  13           HA       ASN  13   0.655   4.967  11.472
   96    HB2  ASN  13           HB3      ASN  13  -0.431   2.175  12.068
   97    HB3  ASN  13           HB2      ASN  13  -0.025   3.375  13.263
   98   HD21  ASN  13          HD22      ASN  13  -2.452   1.876  11.967
   99   HD22  ASN  13          HD21      ASN  13  -3.707   3.045  12.013
  100    H    ASN  14           H        ASN  14   1.452   1.881  10.168
  101    HA   ASN  14           HA       ASN  14   3.793   1.566  11.879
  102    HB2  ASN  14           HB3      ASN  14   2.559  -0.314   9.815
  103    HB3  ASN  14           HB2      ASN  14   4.019  -0.658  10.711
  104   HD21  ASN  14          HD22      ASN  14   0.645  -0.916  10.792
  105   HD22  ASN  14          HD21      ASN  14   0.524  -1.358  12.455
  106    H    ILE  15           H        ILE  15   3.140   3.098   9.037
  107    HA   ILE  15           HA       ILE  15   5.484   2.372   7.577
  108    HB   ILE  15           HB       ILE  15   3.187   4.217   7.094
  109   HG12  ILE  15          HG13      ILE  15   3.098   1.882   6.355
  110   HG13  ILE  15          HG12      ILE  15   2.964   3.021   5.021
  111   HG21  ILE  15          HG21      ILE  15   5.682   5.139   6.369
  112   HG22  ILE  15          HG22      ILE  15   4.103   5.643   5.731
  113   HG23  ILE  15          HG23      ILE  15   5.026   4.372   4.918
  114   HD11  ILE  15          HD11      ILE  15   5.733   2.339   5.475
  115   HD12  ILE  15          HD12      ILE  15   4.761   2.159   4.022
  116   HD13  ILE  15          HD13      ILE  15   4.754   0.888   5.232
  117    H    THR  16           H        THR  16   7.361   2.984   8.114
  118    HA   THR  16           HA       THR  16   7.940   5.566   9.237
  119    HB   THR  16           HB       THR  16  10.209   4.727   9.421
  120    HG1  THR  16           HG1      THR  16   9.437   2.127   8.717
  121   HG21  THR  16          HG21      THR  16   8.456   4.275  11.024
  122   HG22  THR  16          HG22      THR  16   9.883   3.200  11.112
  123   HG23  THR  16          HG23      THR  16   8.378   2.631  10.287
  124    H    LEU  17           H        LEU  17   9.364   6.708   8.226
  125    HA   LEU  17           HA       LEU  17   9.282   7.199   5.419
  126    HB2  LEU  17           HB3      LEU  17  11.636   7.760   7.248
  127    HB3  LEU  17           HB2      LEU  17  11.690   8.153   5.552
  128    HG   LEU  17           HG       LEU  17   9.623   9.367   7.432
  129   HD11  LEU  17          HD11      LEU  17  11.584  11.204   6.537
  130   HD12  LEU  17          HD12      LEU  17  12.461   9.845   7.262
  131   HD13  LEU  17          HD13      LEU  17  11.255  10.720   8.196
  132   HD21  LEU  17          HD21      LEU  17   8.910  10.483   5.622
  133   HD22  LEU  17          HD22      LEU  17   9.697   9.206   4.706
  134   HD23  LEU  17          HD23      LEU  17  10.537  10.715   5.006
  135    H    GLU  18           H        GLU  18  11.587   5.276   7.183
  136    HA   GLU  18           HA       GLU  18  12.916   4.195   4.922
  137    HB2  GLU  18           HB3      GLU  18  12.716   2.948   7.671
  138    HB3  GLU  18           HB2      GLU  18  13.844   2.442   6.421
  139    HG2  GLU  18           HG3      GLU  18  14.854   4.697   6.464
  140    HG3  GLU  18           HG2      GLU  18  13.763   5.130   7.770
  141    H    ASP  19           H        ASP  19  10.379   2.797   6.734
  142    HA   ASP  19           HA       ASP  19  10.051   0.415   5.162
  143    HB2  ASP  19           HB3      ASP  19   7.919   1.887   6.774
  144    HB3  ASP  19           HB2      ASP  19   7.529   0.393   5.878
  145    H    LEU  20           H        LEU  20   8.217   3.372   4.716
  146    HA   LEU  20           HA       LEU  20   7.343   2.701   2.259
  147    HB2  LEU  20           HB3      LEU  20   8.037   5.351   3.198
  148    HB3  LEU  20           HB2      LEU  20   7.629   5.144   1.516
  149    HG   LEU  20           HG       LEU  20   5.878   4.459   3.847
  150   HD11  LEU  20          HD11      LEU  20   5.383   6.427   1.695
  151   HD12  LEU  20          HD12      LEU  20   6.474   6.862   3.008
  152   HD13  LEU  20          HD13      LEU  20   4.807   6.409   3.345
  153   HD21  LEU  20          HD21      LEU  20   4.456   3.370   2.414
  154   HD22  LEU  20          HD22      LEU  20   5.864   3.230   1.372
  155   HD23  LEU  20          HD23      LEU  20   4.736   4.556   1.142
  156    H    GLU  21           H        GLU  21  10.458   4.104   2.898
  157    HA   GLU  21           HA       GLU  21  11.189   4.300   0.202
  158    HB2  GLU  21           HB3      GLU  21  12.963   3.913   2.624
  159    HB3  GLU  21           HB2      GLU  21  13.570   4.202   1.003
  160    HG2  GLU  21           HG3      GLU  21  12.435   6.338   0.897
  161    HG3  GLU  21           HG2      GLU  21  11.781   6.086   2.527
  162    H    GLN  22           H        GLN  22  11.255   1.785   2.375
  163    HA   GLN  22           HA       GLN  22  12.642  -0.132   0.807
  164    HB2  GLN  22           HB3      GLN  22  12.306  -0.459   3.234
  165    HB3  GLN  22           HB2      GLN  22  10.581  -0.749   2.920
  166    HG2  GLN  22           HG3      GLN  22  11.584  -2.932   3.114
  167    HG3  GLN  22           HG2      GLN  22  11.301  -2.515   1.407
  168   HE21  GLN  22          HE22      GLN  22  12.634  -3.074   0.187
  169   HE22  GLN  22          HE21      GLN  22  14.361  -3.093   0.351
  170    H    LEU  23           H        LEU  23   9.091   0.415   1.279
  171    HA   LEU  23           HA       LEU  23   8.208  -1.466  -0.492
  172    HB2  LEU  23           HB3      LEU  23   7.105   1.236   0.324
  173    HB3  LEU  23           HB2      LEU  23   6.202  -0.025  -0.522
  174    HG   LEU  23           HG       LEU  23   7.357  -0.161   2.226
  175   HD11  LEU  23          HD11      LEU  23   5.057   0.005   2.977
  176   HD12  LEU  23          HD12      LEU  23   4.507   0.103   1.307
  177   HD13  LEU  23          HD13      LEU  23   5.476   1.414   1.988
  178   HD21  LEU  23          HD21      LEU  23   6.939  -2.324   2.236
  179   HD22  LEU  23          HD22      LEU  23   6.591  -2.232   0.511
  180   HD23  LEU  23          HD23      LEU  23   5.288  -2.043   1.680
  181    H    LYS  24           H        LYS  24   9.056   1.665  -0.831
  182    HA   LYS  24           HA       LYS  24   8.493   2.091  -3.652
  183    HB2  LYS  24           HB3      LYS  24  10.533   3.641  -2.037
  184    HB3  LYS  24           HB2      LYS  24   9.995   4.077  -3.666
  185    HG2  LYS  24           HG3      LYS  24   7.699   4.351  -2.801
  186    HG3  LYS  24           HG2      LYS  24   8.297   3.984  -1.191
  187    HD2  LYS  24           HD3      LYS  24   9.139   6.323  -2.913
  188    HD3  LYS  24           HD2      LYS  24   8.047   6.355  -1.521
  189    HE2  LYS  24           HE3      LYS  24   9.881   5.652  -0.076
  190    HE3  LYS  24           HE2      LYS  24  10.954   5.582  -1.470
  191    HZ1  LYS  24           HZ1      LYS  24  10.480   7.930  -1.842
  192    HZ2  LYS  24           HZ2      LYS  24  11.297   7.652  -0.378
  193    HZ3  LYS  24           HZ3      LYS  24   9.647   7.995  -0.366
  194    H    SER  25           H        SER  25  11.108   1.308  -2.081
  195    HA   SER  25           HA       SER  25  13.132   0.733  -4.046
  196    HB2  SER  25           HB3      SER  25  12.901  -0.895  -1.449
  197    HB3  SER  25           HB2      SER  25  14.288  -0.974  -2.555
  198    HG   SER  25           HG       SER  25  13.334   1.274  -1.099
  199    H    ALA  26           H        ALA  26  10.974  -1.306  -2.702
  200    HA   ALA  26           HA       ALA  26  11.171  -3.476  -4.593
  201    HB1  ALA  26           HB1      ALA  26   8.482  -3.361  -3.726
  202    HB2  ALA  26           HB2      ALA  26   9.489  -2.923  -2.357
  203    HB3  ALA  26           HB3      ALA  26   9.734  -4.471  -3.186
  204    H    CYS  27           H        CYS  27   8.966  -0.686  -4.415
  205    HA   CYS  27           HA       CYS  27   7.665  -1.257  -6.834
  206    HB2  CYS  27           HB3      CYS  27   7.804   1.365  -5.409
  207    HB3  CYS  27           HB2      CYS  27   6.694   0.807  -6.657
  208    HG   CYS  27           HG       CYS  27   6.908  -0.321  -3.477
  209    H    LYS  28           H        LYS  28  10.779  -0.066  -6.611
  210    HA   LYS  28           HA       LYS  28  10.886   2.310  -7.921
  211    HB2  LYS  28           HB3      LYS  28  12.769  -0.010  -8.129
  212    HB3  LYS  28           HB2      LYS  28  13.122   1.555  -8.869
  213    HG2  LYS  28           HG3      LYS  28  13.194   2.559  -6.677
  214    HG3  LYS  28           HG2      LYS  28  12.630   1.076  -5.919
  215    HD2  LYS  28           HD3      LYS  28  15.051   1.314  -5.689
  216    HD3  LYS  28           HD2      LYS  28  14.630  -0.107  -6.631
  217    HE2  LYS  28           HE3      LYS  28  16.480   0.923  -7.728
  218    HE3  LYS  28           HE2      LYS  28  15.076   1.214  -8.702
  219    HZ1  LYS  28           HZ1      LYS  28  16.807   3.024  -7.440
  220    HZ2  LYS  28           HZ2      LYS  28  15.226   3.439  -7.056
  221    HZ3  LYS  28           HZ3      LYS  28  15.751   3.381  -8.678
  222    H    GLU  29           H        GLU  29  10.646  -0.772  -9.422
  223    HA   GLU  29           HA       GLU  29  10.784   0.285 -12.039
  224    HB2  GLU  29           HB3      GLU  29  10.038  -2.413 -10.998
  225    HB3  GLU  29           HB2      GLU  29  10.259  -2.042 -12.719
  226    HG2  GLU  29           HG3      GLU  29  12.564  -1.310 -12.269
  227    HG3  GLU  29           HG2      GLU  29  12.354  -1.665 -10.570
  228    H    ASP  30           H        ASP  30   8.069  -0.541  -9.908
  229    HA   ASP  30           HA       ASP  30   6.197  -0.147 -12.068
  230    HB2  ASP  30           HB3      ASP  30   5.692  -0.834  -9.181
  231    HB3  ASP  30           HB2      ASP  30   4.418  -0.532 -10.346
  232    H    ILE  31           H        ILE  31   6.944   1.593  -9.092
  233    HA   ILE  31           HA       ILE  31   5.023   3.616  -9.941
  234    HB   ILE  31           HB       ILE  31   5.043   2.661  -7.541
  235   HG12  ILE  31          HG13      ILE  31   4.024   4.869  -7.959
  236   HG13  ILE  31          HG12      ILE  31   4.645   4.664  -6.319
  237   HG21  ILE  31          HG21      ILE  31   7.564   2.727  -7.448
  238   HG22  ILE  31          HG22      ILE  31   6.606   3.194  -6.003
  239   HG23  ILE  31          HG23      ILE  31   7.332   4.441  -7.034
  240   HD11  ILE  31          HD11      ILE  31   5.093   6.863  -7.883
  241   HD12  ILE  31          HD12      ILE  31   6.522   5.848  -8.168
  242   HD13  ILE  31          HD13      ILE  31   6.069   6.315  -6.509
  243    HA   PRO  32           HA       PRO  32   8.209   5.551 -11.867
  244    HB2  PRO  32           HB2      PRO  32   7.365   8.191 -12.041
  245    HB3  PRO  32           HB3      PRO  32   6.886   6.851 -13.100
  246    HG2  PRO  32           HG3      PRO  32   5.498   7.962 -10.746
  247    HG3  PRO  32           HG2      PRO  32   4.834   7.402 -12.303
  248    HD2  PRO  32           HD3      PRO  32   4.732   6.013 -10.046
  249    HD3  PRO  32           HD2      PRO  32   4.861   5.217 -11.654
  250    H    SER  33           H        SER  33   9.889   6.508 -11.613
  251    HA   SER  33           HA       SER  33  11.196   6.937  -9.113
  252    HB2  SER  33           HB3      SER  33  12.535   6.620 -11.232
  253    HB3  SER  33           HB2      SER  33  12.151   8.270 -11.686
  254    HG   SER  33           HG       SER  33  13.328   8.946  -9.707
  255    H    GLU  34           H        GLU  34  10.162   9.258 -11.347
  256    HA   GLU  34           HA       GLU  34  10.302  11.810 -10.204
  257    HB2  GLU  34           HB3      GLU  34   9.246  11.284 -12.392
  258    HB3  GLU  34           HB2      GLU  34   7.826  10.686 -11.557
  259    HG2  GLU  34           HG3      GLU  34   7.326  12.875 -12.335
  260    HG3  GLU  34           HG2      GLU  34   7.552  12.868 -10.577
  261    H    LYS  35           H        LYS  35   7.908   9.675  -9.697
  262    HA   LYS  35           HA       LYS  35   6.655  11.061  -7.516
  263    HB2  LYS  35           HB3      LYS  35   5.998   8.441  -8.781
  264    HB3  LYS  35           HB2      LYS  35   4.973   9.199  -7.537
  265    HG2  LYS  35           HG3      LYS  35   5.847  10.653  -9.999
  266    HG3  LYS  35           HG2      LYS  35   4.373   9.663  -9.866
  267    HD2  LYS  35           HD3      LYS  35   3.363  11.092  -8.385
  268    HD3  LYS  35           HD2      LYS  35   4.891  11.599  -7.673
  269    HE2  LYS  35           HE3      LYS  35   3.962  12.523 -10.400
  270    HE3  LYS  35           HE2      LYS  35   3.547  13.398  -8.925
  271    HZ1  LYS  35           HZ1      LYS  35   5.825  13.575  -8.385
  272    HZ2  LYS  35           HZ2      LYS  35   5.546  14.357  -9.847
  273    HZ3  LYS  35           HZ3      LYS  35   6.361  12.844  -9.786
  274    H    SER  36           H        SER  36   8.241   7.848  -7.539
  275    HA   SER  36           HA       SER  36   8.060   7.269  -4.900
  276    HB2  SER  36           HB3      SER  36   8.732   5.739  -6.575
  277    HB3  SER  36           HB2      SER  36  10.227   6.658  -6.893
  278    HG   SER  36           HG       SER  36   9.974   4.661  -5.323
  279    H    GLU  37           H        GLU  37  10.180   9.281  -6.386
  280    HA   GLU  37           HA       GLU  37  12.180   9.603  -4.374
  281    HB2  GLU  37           HB3      GLU  37  11.442  11.781  -6.365
  282    HB3  GLU  37           HB2      GLU  37  12.879  11.774  -5.352
  283    HG2  GLU  37           HG3      GLU  37  13.697   9.767  -6.454
  284    HG3  GLU  37           HG2      GLU  37  12.238   9.688  -7.430
  285    H    GLU  38           H        GLU  38   9.263  11.759  -4.850
  286    HA   GLU  38           HA       GLU  38   9.784  13.169  -2.614
  287    HB2  GLU  38           HB3      GLU  38   7.712  14.222  -3.361
  288    HB3  GLU  38           HB2      GLU  38   8.925  14.071  -4.635
  289    HG2  GLU  38           HG3      GLU  38   7.581  12.000  -5.381
  290    HG3  GLU  38           HG2      GLU  38   6.379  12.534  -4.255
  291    H    ILE  39           H        ILE  39   8.397  10.136  -2.866
  292    HA   ILE  39           HA       ILE  39   6.127  10.595  -1.169
  293    HB   ILE  39           HB       ILE  39   7.471   8.023  -1.979
  294   HG12  ILE  39          HG13      ILE  39   4.836   9.160  -2.917
  295   HG13  ILE  39          HG12      ILE  39   6.381   9.430  -3.778
  296   HG21  ILE  39          HG21      ILE  39   5.690   8.389   0.142
  297   HG22  ILE  39          HG22      ILE  39   6.034   6.851  -0.663
  298   HG23  ILE  39          HG23      ILE  39   4.696   7.875  -1.217
  299   HD11  ILE  39          HD11      ILE  39   6.368   7.295  -4.486
  300   HD12  ILE  39          HD12      ILE  39   4.644   7.650  -4.407
  301   HD13  ILE  39          HD13      ILE  39   5.390   6.709  -3.112
  302    H    THR  40           H        THR  40   6.584  11.399   0.595
  303    HA   THR  40           HA       THR  40   8.421  10.334   2.510
  304    HB   THR  40           HB       THR  40   8.669  12.639   2.361
  305    HG1  THR  40           HG1      THR  40   7.517  11.860   4.787
  306   HG21  THR  40          HG21      THR  40   6.873  14.292   2.568
  307   HG22  THR  40          HG22      THR  40   5.703  12.984   2.767
  308   HG23  THR  40          HG23      THR  40   6.578  13.144   1.251
  309    H    THR  41           H        THR  41   5.247  10.220   2.124
  310    HA   THR  41           HA       THR  41   4.990   8.761   4.649
  311    HB   THR  41           HB       THR  41   4.400  10.958   5.360
  312    HG1  THR  41           HG1      THR  41   2.934  10.047   6.540
  313   HG21  THR  41          HG21      THR  41   2.127  11.887   4.337
  314   HG22  THR  41          HG22      THR  41   2.701  11.002   2.928
  315   HG23  THR  41          HG23      THR  41   3.693  12.287   3.621
  316    H    GLY  42           H        GLY  42   3.180   7.634   5.009
  317    HA2  GLY  42           HA3      GLY  42   2.811   5.835   2.895
  318    HA3  GLY  42           HA2      GLY  42   1.847   5.793   4.384
  319    H    SER  43           H        SER  43   0.320   8.140   4.351
  320    HA   SER  43           HA       SER  43  -1.607   7.794   2.630
  321    HB2  SER  43           HB3      SER  43  -0.477  10.328   3.818
  322    HB3  SER  43           HB2      SER  43  -2.146  10.057   3.357
  323    HG   SER  43           HG       SER  43  -1.072   9.583   5.677
  324    H    ALA  44           H        ALA  44   1.226   9.777   2.347
  325    HA   ALA  44           HA       ALA  44   0.686  11.182  -0.044
  326    HB1  ALA  44           HB1      ALA  44   2.713  12.068   0.382
  327    HB2  ALA  44           HB2      ALA  44   3.448  10.597  -0.241
  328    HB3  ALA  44           HB3      ALA  44   3.076  10.744   1.491
  329    H    TRP  45           H        TRP  45   2.390   8.086   0.256
  330    HA   TRP  45           HA       TRP  45   2.456   7.553  -2.533
  331    HB2  TRP  45           HB3      TRP  45   3.835   6.327  -0.731
  332    HB3  TRP  45           HB2      TRP  45   2.344   5.551  -0.275
  333    HD1  TRP  45           HD1      TRP  45   3.716   5.955  -3.919
  334    HE1  TRP  45           HE1      TRP  45   3.833   3.555  -4.906
  335    HE3  TRP  45           HE3      TRP  45   2.362   3.221   0.186
  336    HZ2  TRP  45           HZ2      TRP  45   3.496   1.017  -4.149
  337    HZ3  TRP  45           HZ3      TRP  45   2.296   0.773  -0.058
  338    HH2  TRP  45           HH2      TRP  45   2.857  -0.282  -2.191
  339    H    PHE  46           H        PHE  46   0.160   6.389  -0.108
  340    HA   PHE  46           HA       PHE  46  -1.364   5.054  -2.001
  341    HB2  PHE  46           HB3      PHE  46  -2.369   6.446   0.453
  342    HB3  PHE  46           HB2      PHE  46  -3.376   5.401  -0.544
  343    HD1  PHE  46           HD1      PHE  46  -2.154   3.117  -1.121
  344    HD2  PHE  46           HD2      PHE  46  -1.470   5.525   2.373
  345    HE1  PHE  46           HE1      PHE  46  -1.464   1.127   0.110
  346    HE2  PHE  46           HE2      PHE  46  -0.832   3.522   3.604
  347    HZ   PHE  46           HZ       PHE  46  -0.809   1.293   2.401
  348    H    SER  47           H        SER  47  -1.780   8.103  -0.898
  349    HA   SER  47           HA       SER  47  -3.790   9.056  -2.692
  350    HB2  SER  47           HB3      SER  47  -1.729  10.751  -1.336
  351    HB3  SER  47           HB2      SER  47  -3.151  11.397  -2.180
  352    HG   SER  47           HG       SER  47  -4.240   9.749  -0.702
  353    H    PHE  48           H        PHE  48  -0.344   8.811  -3.306
  354    HA   PHE  48           HA       PHE  48  -0.423  10.161  -5.840
  355    HB2  PHE  48           HB3      PHE  48   1.734   9.735  -4.928
  356    HB3  PHE  48           HB2      PHE  48   1.356   8.017  -4.655
  357    HD1  PHE  48           HD2      PHE  48   1.356  10.493  -7.490
  358    HD2  PHE  48           HD1      PHE  48   2.118   6.517  -6.171
  359    HE1  PHE  48           HE2      PHE  48   2.030   9.878  -9.712
  360    HE2  PHE  48           HE1      PHE  48   2.768   5.916  -8.445
  361    HZ   PHE  48           HZ       PHE  48   2.729   7.585 -10.215
  362    H    LEU  49           H        LEU  49  -0.345   6.715  -4.799
  363    HA   LEU  49           HA       LEU  49  -0.591   5.480  -7.129
  364    HB2  LEU  49           HB3      LEU  49  -0.080   4.917  -4.794
  365    HB3  LEU  49           HB2      LEU  49  -1.832   4.700  -4.560
  366    HG   LEU  49           HG       LEU  49  -1.648   2.557  -6.073
  367   HD11  LEU  49          HD11      LEU  49   1.243   2.937  -6.145
  368   HD12  LEU  49          HD12      LEU  49   0.322   3.915  -7.279
  369   HD13  LEU  49          HD13      LEU  49   0.155   2.159  -7.288
  370   HD21  LEU  49          HD21      LEU  49  -0.560   1.297  -4.545
  371   HD22  LEU  49          HD22      LEU  49  -0.907   2.705  -3.554
  372   HD23  LEU  49          HD23      LEU  49   0.691   2.504  -4.264
  373    H    GLU  50           H        GLU  50  -3.039   6.177  -4.874
  374    HA   GLU  50           HA       GLU  50  -5.552   5.745  -6.154
  375    HB2  GLU  50           HB3      GLU  50  -5.108   8.263  -4.529
  376    HB3  GLU  50           HB2      GLU  50  -6.650   7.678  -5.060
  377    HG2  GLU  50           HG3      GLU  50  -6.381   5.719  -3.614
  378    HG3  GLU  50           HG2      GLU  50  -4.822   6.357  -3.092
  379    H    SER  51           H        SER  51  -3.848   8.447  -6.234
  380    HA   SER  51           HA       SER  51  -5.369  10.075  -8.068
  381    HB2  SER  51           HB3      SER  51  -2.405  10.498  -7.619
  382    HB3  SER  51           HB2      SER  51  -3.444  11.620  -8.517
  383    HG   SER  51           HG       SER  51  -3.478  10.905  -5.805
  384    H    HIS  52           H        HIS  52  -3.108   7.637  -8.683
  385    HA   HIS  52           HA       HIS  52  -3.665   7.873 -11.534
  386    HB2  HIS  52           HB3      HIS  52  -1.383   6.457 -10.206
  387    HB3  HIS  52           HB2      HIS  52  -1.722   6.212 -11.943
  388    HD1  HIS  52           HD1      HIS  52   0.543   7.258 -12.678
  389    HD2  HIS  52           HD2      HIS  52  -1.564   9.397  -9.896
  390    HE1  HIS  52           HE1      HIS  52   1.781   9.446 -12.539
  391    H    ASN  53           H        ASN  53  -4.004   5.646 -12.575
  392    HA   ASN  53           HA       ASN  53  -5.883   4.491 -10.773
  393    HB2  ASN  53           HB3      ASN  53  -5.421   3.838 -13.699
  394    HB3  ASN  53           HB2      ASN  53  -6.713   3.168 -12.715
  395   HD21  ASN  53          HD22      ASN  53  -8.605   4.212 -12.774
  396   HD22  ASN  53          HD21      ASN  53  -8.827   5.849 -13.271
  397    H    LYS  54           H        LYS  54  -3.391   3.946  -9.780
  398    HA   LYS  54           HA       LYS  54  -3.176   1.114 -10.423
  399    HB2  LYS  54           HB3      LYS  54  -1.041   2.674  -8.936
  400    HB3  LYS  54           HB2      LYS  54  -0.976   0.979  -9.360
  401    HG2  LYS  54           HG3      LYS  54  -0.745   3.336 -11.226
  402    HG3  LYS  54           HG2      LYS  54   0.418   2.077 -10.780
  403    HD2  LYS  54           HD3      LYS  54  -2.117   1.538 -12.277
  404    HD3  LYS  54           HD2      LYS  54  -0.549   1.764 -13.042
  405    HE2  LYS  54           HE3      LYS  54   0.277  -0.208 -11.796
  406    HE3  LYS  54           HE2      LYS  54  -1.325  -0.436 -11.102
  407    HZ1  LYS  54           HZ1      LYS  54  -1.741  -1.707 -12.906
  408    HZ2  LYS  54           HZ2      LYS  54  -0.311  -1.191 -13.644
  409    HZ3  LYS  54           HZ3      LYS  54  -1.705  -0.299 -13.858
  410    H    LEU  55           H        LEU  55  -4.931   2.822  -8.470
  411    HA   LEU  55           HA       LEU  55  -5.333   0.610  -6.802
  412    HB2  LEU  55           HB3      LEU  55  -3.310   1.328  -5.640
  413    HB3  LEU  55           HB2      LEU  55  -3.965   2.936  -5.452
  414    HG   LEU  55           HG       LEU  55  -5.236   0.539  -4.059
  415   HD11  LEU  55          HD11      LEU  55  -3.654   0.487  -2.487
  416   HD12  LEU  55          HD12      LEU  55  -3.625   2.248  -2.335
  417   HD13  LEU  55          HD13      LEU  55  -2.643   1.443  -3.570
  418   HD21  LEU  55          HD21      LEU  55  -5.504   3.460  -3.949
  419   HD22  LEU  55          HD22      LEU  55  -5.496   2.658  -2.381
  420   HD23  LEU  55          HD23      LEU  55  -6.701   2.212  -3.594
  421    H    ASP  56           H        ASP  56  -7.211   0.520  -7.026
  422    HA   ASP  56           HA       ASP  56  -9.171   2.580  -6.559
  423    HB2  ASP  56           HB3      ASP  56  -9.444  -0.341  -6.932
  424    HB3  ASP  56           HB2      ASP  56 -10.815   0.635  -6.467
  425    H    LYS  57           H        LYS  57 -10.789   2.240  -5.078
  426    HA   LYS  57           HA       LYS  57 -10.151   1.800  -2.307
  427    HB2  LYS  57           HB3      LYS  57 -12.501   2.051  -1.854
  428    HB3  LYS  57           HB2      LYS  57 -12.098   3.220  -3.093
  429    HG2  LYS  57           HG3      LYS  57 -13.422   0.597  -3.444
  430    HG3  LYS  57           HG2      LYS  57 -14.273   2.162  -3.527
  431    HD2  LYS  57           HD3      LYS  57 -12.689   2.690  -5.375
  432    HD3  LYS  57           HD2      LYS  57 -12.175   0.999  -5.217
  433    HE2  LYS  57           HE3      LYS  57 -13.719   1.205  -7.140
  434    HE3  LYS  57           HE2      LYS  57 -14.409   0.210  -5.849
  435    HZ1  LYS  57           HZ1      LYS  57 -15.833   2.010  -5.233
  436    HZ2  LYS  57           HZ2      LYS  57 -15.946   1.840  -6.900
  437    HZ3  LYS  57           HZ3      LYS  57 -15.043   3.094  -6.259
  438    H    ASP  58           H        ASP  58 -11.061  -0.344  -4.941
  439    HA   ASP  58           HA       ASP  58 -11.744  -2.528  -3.145
  440    HB2  ASP  58           HB3      ASP  58 -13.355  -2.037  -4.938
  441    HB3  ASP  58           HB2      ASP  58 -12.080  -2.170  -6.142
  442    H    ASN  59           H        ASN  59  -9.609  -1.541  -5.617
  443    HA   ASN  59           HA       ASN  59  -8.119  -4.037  -5.665
  444    HB2  ASN  59           HB3      ASN  59  -7.780  -1.442  -7.112
  445    HB3  ASN  59           HB2      ASN  59  -6.711  -2.830  -7.330
  446   HD21  ASN  59          HD22      ASN  59  -9.699  -1.406  -8.185
  447   HD22  ASN  59          HD21      ASN  59 -10.268  -2.719  -9.121
  448    H    LEU  60           H        LEU  60  -6.685  -4.538  -4.647
  449    HA   LEU  60           HA       LEU  60  -4.887  -2.685  -3.302
  450    HB2  LEU  60           HB3      LEU  60  -4.935  -4.199  -1.288
  451    HB3  LEU  60           HB2      LEU  60  -6.381  -3.276  -1.602
  452    HG   LEU  60           HG       LEU  60  -7.490  -5.306  -2.456
  453   HD11  LEU  60          HD11      LEU  60  -5.321  -7.013  -1.382
  454   HD12  LEU  60          HD12      LEU  60  -5.196  -6.342  -3.020
  455   HD13  LEU  60          HD13      LEU  60  -6.571  -7.365  -2.595
  456   HD21  LEU  60          HD21      LEU  60  -7.498  -6.551  -0.275
  457   HD22  LEU  60          HD22      LEU  60  -7.897  -4.828  -0.225
  458   HD23  LEU  60          HD23      LEU  60  -6.291  -5.387   0.271
  459    H    SER  61           H        SER  61  -5.205  -5.497  -4.914
  460    HA   SER  61           HA       SER  61  -3.069  -7.025  -4.356
  461    HB2  SER  61           HB3      SER  61  -4.051  -6.598  -7.175
  462    HB3  SER  61           HB2      SER  61  -3.206  -8.030  -6.558
  463    HG   SER  61           HG       SER  61  -4.946  -8.639  -5.436
  464    H    TYR  62           H        TYR  62  -2.937  -4.220  -6.217
  465    HA   TYR  62           HA       TYR  62  -0.284  -4.233  -7.261
  466    HB2  TYR  62           HB3      TYR  62  -1.846  -2.353  -7.780
  467    HB3  TYR  62           HB2      TYR  62  -1.769  -1.819  -6.098
  468    HD1  TYR  62           HD1      TYR  62   0.128  -2.045  -9.275
  469    HD2  TYR  62           HD2      TYR  62   0.114  -0.504  -5.294
  470    HE1  TYR  62           HE1      TYR  62   2.162  -0.774  -9.741
  471    HE2  TYR  62           HE2      TYR  62   2.195   0.621  -5.703
  472    HH   TYR  62           HH       TYR  62   4.146   0.112  -8.313
  473    H    ILE  63           H        ILE  63  -1.569  -3.076  -4.209
  474    HA   ILE  63           HA       ILE  63   0.973  -2.467  -3.056
  475    HB   ILE  63           HB       ILE  63  -0.135  -1.479  -1.243
  476   HG12  ILE  63          HG13      ILE  63  -2.749  -2.609  -2.202
  477   HG13  ILE  63          HG12      ILE  63  -1.854  -3.350  -0.878
  478   HG21  ILE  63          HG21      ILE  63  -2.035  -0.408  -2.631
  479   HG22  ILE  63          HG22      ILE  63  -1.091  -1.153  -3.905
  480   HG23  ILE  63          HG23      ILE  63  -0.321   0.021  -2.808
  481   HD11  ILE  63          HD11      ILE  63  -2.996  -1.969   0.421
  482   HD12  ILE  63          HD12      ILE  63  -3.415  -0.897  -0.946
  483   HD13  ILE  63          HD13      ILE  63  -1.812  -0.804  -0.187
  484    H    GLU  64           H        GLU  64  -1.113  -5.070  -3.102
  485    HA   GLU  64           HA       GLU  64  -0.453  -6.371  -0.592
  486    HB2  GLU  64           HB3      GLU  64  -2.448  -7.018  -1.992
  487    HB3  GLU  64           HB2      GLU  64  -1.343  -7.616  -3.213
  488    HG2  GLU  64           HG3      GLU  64  -0.516  -9.293  -1.616
  489    HG3  GLU  64           HG2      GLU  64  -1.669  -8.703  -0.420
  490    H    HIS  65           H        HIS  65   0.641  -6.885  -3.941
  491    HA   HIS  65           HA       HIS  65   2.865  -8.430  -3.524
  492    HB2  HIS  65           HB3      HIS  65   1.845  -7.768  -5.678
  493    HB3  HIS  65           HB2      HIS  65   2.207  -6.097  -5.304
  494    HD1  HIS  65           HD1      HIS  65   4.293  -9.322  -6.071
  495    HD2  HIS  65           HD2      HIS  65   4.255  -5.192  -6.600
  496    HE1  HIS  65           HE1      HIS  65   6.292  -8.828  -7.436
  497    H    ILE  66           H        ILE  66   2.869  -5.026  -3.759
  498    HA   ILE  66           HA       ILE  66   5.319  -4.504  -3.196
  499    HB   ILE  66           HB       ILE  66   3.144  -2.985  -1.874
  500   HG12  ILE  66          HG13      ILE  66   2.826  -3.313  -4.027
  501   HG13  ILE  66          HG12      ILE  66   3.168  -1.558  -3.991
  502   HG21  ILE  66          HG21      ILE  66   5.211  -2.192  -0.816
  503   HG22  ILE  66          HG22      ILE  66   4.754  -0.964  -1.968
  504   HG23  ILE  66          HG23      ILE  66   6.040  -2.083  -2.362
  505   HD11  ILE  66          HD11      ILE  66   4.184  -2.418  -5.897
  506   HD12  ILE  66          HD12      ILE  66   4.792  -3.866  -5.050
  507   HD13  ILE  66          HD13      ILE  66   5.513  -2.288  -4.715
  508    H    PHE  67           H        PHE  67   2.864  -5.011  -0.505
  509    HA   PHE  67           HA       PHE  67   4.813  -4.763   1.341
  510    HB2  PHE  67           HB3      PHE  67   2.087  -6.013   1.598
  511    HB3  PHE  67           HB2      PHE  67   3.177  -5.568   2.916
  512    HD1  PHE  67           HD2      PHE  67   4.033  -3.107   2.835
  513    HD2  PHE  67           HD1      PHE  67   0.534  -4.526   0.980
  514    HE1  PHE  67           HE2      PHE  67   3.186  -0.767   2.674
  515    HE2  PHE  67           HE1      PHE  67  -0.328  -2.260   0.808
  516    HZ   PHE  67           HZ       PHE  67   0.996  -0.357   1.658
  517    H    GLU  68           H        GLU  68   3.950  -7.631  -0.683
  518    HA   GLU  68           HA       GLU  68   5.069  -9.593   1.152
  519    HB2  GLU  68           HB3      GLU  68   3.244 -10.024  -0.533
  520    HB3  GLU  68           HB2      GLU  68   4.368  -9.541  -1.778
  521    HG2  GLU  68           HG3      GLU  68   4.207 -11.904  -1.685
  522    HG3  GLU  68           HG2      GLU  68   5.813 -11.267  -1.183
  523    H    ILE  69           H        ILE  69   6.042  -8.164  -1.914
  524    HA   ILE  69           HA       ILE  69   8.459  -9.311  -1.944
  525    HB   ILE  69           HB       ILE  69   9.116  -7.709  -3.649
  526   HG12  ILE  69          HG13      ILE  69   6.470  -6.385  -3.021
  527   HG13  ILE  69          HG12      ILE  69   8.053  -5.685  -2.701
  528   HG21  ILE  69          HG21      ILE  69   7.039  -9.554  -3.602
  529   HG22  ILE  69          HG22      ILE  69   7.928  -8.972  -5.037
  530   HG23  ILE  69          HG23      ILE  69   6.439  -8.176  -4.512
  531   HD11  ILE  69          HD11      ILE  69   7.437  -6.652  -5.366
  532   HD12  ILE  69          HD12      ILE  69   8.426  -5.262  -4.897
  533   HD13  ILE  69          HD13      ILE  69   6.645  -5.150  -4.818
  534    H    SER  70           H        SER  70   7.547  -6.431  -0.370
  535    HA   SER  70           HA       SER  70  10.245  -5.668   0.299
  536    HB2  SER  70           HB3      SER  70   7.586  -4.659   1.343
  537    HB3  SER  70           HB2      SER  70   9.170  -3.905   1.589
  538    HG   SER  70           HG       SER  70   7.597  -4.148  -0.687
  539    H    ARG  71           H        ARG  71  11.158  -6.040   2.278
  540    HA   ARG  71           HA       ARG  71  10.225  -8.299   3.724
  541    HB2  ARG  71           HB3      ARG  71  12.613  -6.531   4.124
  542    HB3  ARG  71           HB2      ARG  71  12.257  -7.981   5.077
  543    HG2  ARG  71           HG3      ARG  71  12.561  -7.933   2.124
  544    HG3  ARG  71           HG2      ARG  71  13.857  -8.389   3.248
  545    HD2  ARG  71           HD3      ARG  71  11.172  -9.749   2.927
  546    HD3  ARG  71           HD2      ARG  71  12.747 -10.379   2.412
  547    HE   ARG  71           HE       ARG  71  11.562 -10.638   4.924
  548   HH11  ARG  71          HH11      ARG  71  14.770 -10.044   3.511
  549   HH12  ARG  71          HH12      ARG  71  15.671 -10.373   4.906
  550   HH21  ARG  71          HH22      ARG  71  12.800 -11.246   6.882
  551   HH22  ARG  71          HH21      ARG  71  14.505 -11.112   6.881
  552    H    ARG  72           H        ARG  72   8.248  -6.829   4.141
  553    HA   ARG  72           HA       ARG  72   8.312  -6.063   6.985
  554    HB2  ARG  72           HB3      ARG  72   8.903  -4.088   5.521
  555    HB3  ARG  72           HB2      ARG  72   7.308  -4.203   4.830
  556    HG2  ARG  72           HG3      ARG  72   7.493  -2.441   6.521
  557    HG3  ARG  72           HG2      ARG  72   6.305  -3.670   6.973
  558    HD2  ARG  72           HD3      ARG  72   7.793  -4.644   8.563
  559    HD3  ARG  72           HD2      ARG  72   9.155  -3.754   7.899
  560    HE   ARG  72           HE       ARG  72   7.578  -1.795   8.663
  561   HH11  ARG  72          HH11      ARG  72   8.202  -4.677  10.624
  562   HH12  ARG  72          HH12      ARG  72   8.795  -3.843  11.970
  563   HH21  ARG  72          HH22      ARG  72   8.427  -0.589  10.421
  564   HH22  ARG  72          HH21      ARG  72   8.890  -1.366  11.887
  565    HA   PRO  73           HA       PRO  73   4.658  -8.637   5.291
  566    HB2  PRO  73           HB2      PRO  73   5.296 -10.140   7.753
  567    HB3  PRO  73           HB3      PRO  73   4.936 -10.761   6.142
  568    HG2  PRO  73           HG3      PRO  73   7.417 -10.772   7.064
  569    HG3  PRO  73           HG2      PRO  73   7.101 -10.344   5.377
  570    HD2  PRO  73           HD3      PRO  73   7.688  -8.550   7.717
  571    HD3  PRO  73           HD2      PRO  73   8.292  -8.500   6.037
  572    H    ASP  74           H        ASP  74   5.197  -6.760   8.101
  573    HA   ASP  74           HA       ASP  74   3.002  -7.545   9.727
  574    HB2  ASP  74           HB3      ASP  74   4.313  -4.783   9.570
  575    HB3  ASP  74           HB2      ASP  74   3.311  -5.411  10.866
  576    H    LEU  75           H        LEU  75   3.617  -5.151   7.564
  577    HA   LEU  75           HA       LEU  75   1.053  -3.936   7.388
  578    HB2  LEU  75           HB3      LEU  75   3.337  -3.766   5.443
  579    HB3  LEU  75           HB2      LEU  75   1.840  -2.874   5.176
  580    HG   LEU  75           HG       LEU  75   2.318  -1.517   7.242
  581   HD11  LEU  75          HD11      LEU  75   4.230  -1.710   8.524
  582   HD12  LEU  75          HD12      LEU  75   5.028  -2.806   7.395
  583   HD13  LEU  75          HD13      LEU  75   3.681  -3.380   8.380
  584   HD21  LEU  75          HD21      LEU  75   3.803  -1.555   4.830
  585   HD22  LEU  75          HD22      LEU  75   4.841  -1.046   6.165
  586   HD23  LEU  75          HD23      LEU  75   3.326  -0.193   5.852
  587    H    LEU  76           H        LEU  76   2.604  -6.065   5.349
  588    HA   LEU  76           HA       LEU  76   0.706  -6.766   3.290
  589    HB2  LEU  76           HB3      LEU  76   2.856  -8.094   3.549
  590    HB3  LEU  76           HB2      LEU  76   1.950  -9.024   4.795
  591    HG   LEU  76           HG       LEU  76   0.261  -9.281   2.962
  592   HD11  LEU  76          HD11      LEU  76   1.884  -9.724   0.781
  593   HD12  LEU  76          HD12      LEU  76   2.216  -8.115   1.407
  594   HD13  LEU  76          HD13      LEU  76   0.555  -8.589   1.041
  595   HD21  LEU  76          HD21      LEU  76   0.782 -11.275   3.550
  596   HD22  LEU  76          HD22      LEU  76   2.488 -10.894   3.780
  597   HD23  LEU  76          HD23      LEU  76   1.898 -11.348   2.158
  598    H    THR  77           H        THR  77   1.068  -8.234   6.299
  599    HA   THR  77           HA       THR  77  -1.060  -9.907   6.604
  600    HB   THR  77           HB       THR  77   0.253  -8.168   8.638
  601    HG1  THR  77           HG1      THR  77   1.764  -9.555   8.042
  602   HG21  THR  77          HG21      THR  77  -1.759 -10.311   8.902
  603   HG22  THR  77          HG22      THR  77  -1.636  -8.707   9.664
  604   HG23  THR  77          HG23      THR  77  -0.549 -10.020  10.203
  605    H    MET  78           H        MET  78  -1.026  -6.545   7.348
  606    HA   MET  78           HA       MET  78  -3.751  -6.350   8.119
  607    HB2  MET  78           HB3      MET  78  -1.899  -4.189   7.106
  608    HB3  MET  78           HB2      MET  78  -3.521  -3.876   7.696
  609    HG2  MET  78           HG3      MET  78  -1.437  -5.286   9.280
  610    HG3  MET  78           HG2      MET  78  -1.768  -3.544   9.455
  611    HE1  MET  78           HE1      MET  78  -2.762  -5.764  12.414
  612    HE2  MET  78           HE2      MET  78  -3.125  -4.047  12.508
  613    HE3  MET  78           HE3      MET  78  -1.613  -4.600  11.765
  614    H    VAL  79           H        VAL  79  -2.257  -6.163   4.922
  615    HA   VAL  79           HA       VAL  79  -4.626  -5.300   3.566
  616    HB   VAL  79           HB       VAL  79  -2.278  -6.896   2.492
  617   HG11  VAL  79          HG11      VAL  79  -3.898  -6.888   0.829
  618   HG12  VAL  79          HG12      VAL  79  -2.796  -5.585   0.383
  619   HG13  VAL  79          HG13      VAL  79  -4.342  -5.202   1.125
  620   HG21  VAL  79          HG21      VAL  79  -1.373  -4.637   1.807
  621   HG22  VAL  79          HG22      VAL  79  -1.271  -5.065   3.522
  622   HG23  VAL  79          HG23      VAL  79  -2.532  -3.965   2.987
  623    H    VAL  80           H        VAL  80  -3.004  -8.358   4.037
  624    HA   VAL  80           HA       VAL  80  -4.911 -10.220   2.939
  625    HB   VAL  80           HB       VAL  80  -3.028 -10.518   5.349
  626   HG11  VAL  80          HG11      VAL  80  -4.291 -12.640   3.626
  627   HG12  VAL  80          HG12      VAL  80  -4.740 -12.192   5.285
  628   HG13  VAL  80          HG13      VAL  80  -3.136 -12.887   4.956
  629   HG21  VAL  80          HG21      VAL  80  -1.905 -11.890   3.224
  630   HG22  VAL  80          HG22      VAL  80  -1.349 -10.349   3.872
  631   HG23  VAL  80          HG23      VAL  80  -2.468 -10.387   2.511
  632    H    ASP  81           H        ASP  81  -4.538  -9.108   6.032
  633    HA   ASP  81           HA       ASP  81  -6.727 -10.225   7.353
  634    HB2  ASP  81           HB3      ASP  81  -5.082  -8.934   8.660
  635    HB3  ASP  81           HB2      ASP  81  -5.654  -7.452   7.927
  636    H    TYR  82           H        TYR  82  -6.529  -7.154   5.807
  637    HA   TYR  82           HA       TYR  82  -9.105  -6.044   6.131
  638    HB2  TYR  82           HB3      TYR  82  -7.343  -4.732   5.228
  639    HB3  TYR  82           HB2      TYR  82  -7.176  -5.814   3.843
  640    HD1  TYR  82           HD2      TYR  82  -9.712  -3.712   5.516
  641    HD2  TYR  82           HD1      TYR  82  -8.146  -5.324   1.966
  642    HE1  TYR  82           HE2      TYR  82 -11.303  -2.372   4.229
  643    HE2  TYR  82           HE1      TYR  82  -9.752  -4.040   0.616
  644    HH   TYR  82           HH       TYR  82 -11.288  -2.361   0.687
  645    H    ARG  83           H        ARG  83  -7.800  -7.913   3.485
  646    HA   ARG  83           HA       ARG  83  -9.952  -8.059   1.806
  647    HB2  ARG  83           HB3      ARG  83  -7.751  -8.556   1.115
  648    HB3  ARG  83           HB2      ARG  83  -7.528  -9.725   2.389
  649    HG2  ARG  83           HG3      ARG  83  -9.433 -10.213   0.196
  650    HG3  ARG  83           HG2      ARG  83  -7.685 -10.469  -0.072
  651    HD2  ARG  83           HD3      ARG  83  -7.825 -11.956   1.928
  652    HD3  ARG  83           HD2      ARG  83  -9.583 -11.851   1.885
  653    HE   ARG  83           HE       ARG  83  -7.959 -13.478   0.253
  654   HH11  ARG  83          HH11      ARG  83 -11.104 -11.802   0.061
  655   HH12  ARG  83          HH12      ARG  83 -11.514 -12.466  -1.459
  656   HH21  ARG  83          HH22      ARG  83  -8.532 -14.339  -1.900
  657   HH22  ARG  83          HH21      ARG  83  -9.996 -13.863  -2.606
  658    H    THR  84           H        THR  84  -8.973 -10.097   4.139
  659    HA   THR  84           HA       THR  84 -11.130 -11.996   4.155
  660    HB   THR  84           HB       THR  84  -9.356 -11.236   6.384
  661    HG1  THR  84           HG1      THR  84  -7.916 -11.961   4.939
  662   HG21  THR  84          HG21      THR  84  -9.815 -13.881   6.591
  663   HG22  THR  84          HG22      THR  84 -11.317 -13.203   5.896
  664   HG23  THR  84          HG23      THR  84 -10.675 -12.504   7.400
  665    H    ARG  85           H        ARG  85 -10.378  -9.832   6.490
  666    HA   ARG  85           HA       ARG  85 -12.586  -9.937   8.021
  667    HB2  ARG  85           HB3      ARG  85 -12.113  -7.928   9.393
  668    HB3  ARG  85           HB2      ARG  85 -10.699  -8.878   9.041
  669    HG2  ARG  85           HG3      ARG  85  -9.643  -7.054   8.346
  670    HG3  ARG  85           HG2      ARG  85 -10.868  -6.727   7.122
  671    HD2  ARG  85           HD3      ARG  85 -12.276  -5.735   8.681
  672    HD3  ARG  85           HD2      ARG  85 -11.240  -6.145  10.039
  673    HE   ARG  85           HE       ARG  85 -11.213  -3.751   8.614
  674   HH11  ARG  85          HH11      ARG  85  -8.639  -6.118   9.549
  675   HH12  ARG  85          HH12      ARG  85  -7.417  -4.976   9.694
  676   HH21  ARG  85          HH22      ARG  85  -9.519  -2.161   8.900
  677   HH22  ARG  85          HH21      ARG  85  -7.923  -2.560   9.338
  678    H    VAL  86           H        VAL  86 -12.154  -7.517   5.909
  679    HA   VAL  86           HA       VAL  86 -14.748  -6.374   5.981
  680    HB   VAL  86           HB       VAL  86 -12.773  -6.298   3.713
  681   HG11  VAL  86          HG11      VAL  86 -14.534  -4.010   3.672
  682   HG12  VAL  86          HG12      VAL  86 -15.569  -5.426   3.740
  683   HG13  VAL  86          HG13      VAL  86 -14.407  -5.248   2.426
  684   HG21  VAL  86          HG21      VAL  86 -13.202  -3.829   4.982
  685   HG22  VAL  86          HG22      VAL  86 -11.766  -4.847   5.000
  686   HG23  VAL  86          HG23      VAL  86 -13.003  -5.075   6.225
  687    H    LEU  87           H        LEU  87 -13.506  -8.985   4.184
  688    HA   LEU  87           HA       LEU  87 -15.781  -9.705   2.620
  689    HB2  LEU  87           HB3      LEU  87 -13.758 -10.651   2.057
  690    HB3  LEU  87           HB2      LEU  87 -13.340 -10.998   3.712
  691    HG   LEU  87           HG       LEU  87 -14.711 -12.874   3.736
  692   HD11  LEU  87          HD11      LEU  87 -16.573 -12.345   2.243
  693   HD12  LEU  87          HD12      LEU  87 -15.702 -13.619   1.386
  694   HD13  LEU  87          HD13      LEU  87 -15.474 -11.927   0.937
  695   HD21  LEU  87          HD21      LEU  87 -12.557 -12.515   1.853
  696   HD22  LEU  87          HD22      LEU  87 -13.558 -13.912   1.463
  697   HD23  LEU  87          HD23      LEU  87 -12.824 -13.781   3.053
  698    H    LYS  88           H        LYS  88 -14.618 -10.715   5.775
  699    HA   LYS  88           HA       LYS  88 -16.756 -12.367   6.316
  700    HB2  LYS  88           HB3      LYS  88 -14.472 -12.440   7.406
  701    HB3  LYS  88           HB2      LYS  88 -14.930 -11.076   8.373
  702    HG2  LYS  88           HG3      LYS  88 -15.115 -13.205   9.588
  703    HG3  LYS  88           HG2      LYS  88 -16.658 -12.351   9.505
  704    HD2  LYS  88           HD3      LYS  88 -17.428 -13.754   7.691
  705    HD3  LYS  88           HD2      LYS  88 -15.855 -14.527   7.585
  706    HE2  LYS  88           HE3      LYS  88 -17.700 -14.702   9.972
  707    HE3  LYS  88           HE2      LYS  88 -17.610 -15.895   8.687
  708    HZ1  LYS  88           HZ1      LYS  88 -16.149 -16.835  10.078
  709    HZ2  LYS  88           HZ2      LYS  88 -15.719 -15.426  10.886
  710    HZ3  LYS  88           HZ3      LYS  88 -15.041 -15.804   9.382
  711    H    ILE  89           H        ILE  89 -16.443  -8.877   6.812
  712    HA   ILE  89           HA       ILE  89 -18.620  -8.499   8.548
  713    HB   ILE  89           HB       ILE  89 -17.060  -6.822   6.618
  714   HG12  ILE  89          HG13      ILE  89 -16.982  -6.869   9.632
  715   HG13  ILE  89          HG12      ILE  89 -15.770  -7.559   8.536
  716   HG21  ILE  89          HG21      ILE  89 -19.333  -5.972   8.325
  717   HG22  ILE  89          HG22      ILE  89 -18.950  -5.748   6.599
  718   HG23  ILE  89          HG23      ILE  89 -18.041  -4.841   7.809
  719   HD11  ILE  89          HD11      ILE  89 -15.593  -5.157   7.635
  720   HD12  ILE  89          HD12      ILE  89 -14.812  -5.567   9.156
  721   HD13  ILE  89          HD13      ILE  89 -16.341  -4.696   9.166
  722    H    SER  90           H        SER  90 -17.995  -8.159   5.106
  723    HA   SER  90           HA       SER  90 -20.655  -7.289   4.545
  724    HB2  SER  90           HB3      SER  90 -18.420  -7.987   2.663
  725    HB3  SER  90           HB2      SER  90 -19.890  -7.066   2.283
  726    HG   SER  90           HG       SER  90 -17.630  -6.355   3.709
  Start of MODEL    7
    1    H1   MET   1           H        MET   1 -13.904   3.756  -0.596
    2    H2   MET   1           H2       MET   1 -12.666   3.671   0.548
    3    H3   MET   1           H3       MET   1 -12.903   2.364  -0.489
    4    HA   MET   1           HA       MET   1 -15.181   3.109   1.068
    5    HB2  MET   1           HB3      MET   1 -13.558   0.511   0.940
    6    HB3  MET   1           HB2      MET   1 -15.158   0.714   1.650
    7    HG2  MET   1           HG3      MET   1 -16.039   1.347  -0.546
    8    HG3  MET   1           HG2      MET   1 -14.465   1.033  -1.255
    9    HE1  MET   1           HE1      MET   1 -13.293  -1.317  -1.095
   10    HE2  MET   1           HE2      MET   1 -14.127  -2.847  -0.856
   11    HE3  MET   1           HE3      MET   1 -13.751  -1.819   0.525
   12    H    ALA   2           H        ALA   2 -15.298   3.105   3.136
   13    HA   ALA   2           HA       ALA   2 -13.136   4.436   4.450
   14    HB1  ALA   2           HB1      ALA   2 -15.831   3.783   5.332
   15    HB2  ALA   2           HB2      ALA   2 -14.810   5.155   5.775
   16    HB3  ALA   2           HB3      ALA   2 -14.649   3.622   6.630
   17    H    GLU   3           H        GLU   3 -14.299   1.290   5.370
   18    HA   GLU   3           HA       GLU   3 -12.411   0.538   7.026
   19    HB2  GLU   3           HB3      GLU   3 -13.414  -1.265   4.798
   20    HB3  GLU   3           HB2      GLU   3 -12.697  -1.805   6.293
   21    HG2  GLU   3           HG3      GLU   3 -15.073  -2.144   6.431
   22    HG3  GLU   3           HG2      GLU   3 -14.650  -0.880   7.550
   23    H    TYR   4           H        TYR   4 -12.246   0.395   3.816
   24    HA   TYR   4           HA       TYR   4  -9.521  -0.478   3.291
   25    HB2  TYR   4           HB3      TYR   4 -11.037  -0.312   1.355
   26    HB3  TYR   4           HB2      TYR   4 -10.877   1.461   1.359
   27    HD1  TYR   4           HD2      TYR   4  -8.638  -1.480   1.585
   28    HD2  TYR   4           HD1      TYR   4  -9.450   2.167  -0.486
   29    HE1  TYR   4           HE2      TYR   4  -6.721  -1.890   0.148
   30    HE2  TYR   4           HE1      TYR   4  -7.497   1.746  -1.922
   31    HH   TYR   4           HH       TYR   4  -6.245  -0.515  -2.669
   32    H    GLY   5           H        GLY   5 -10.893   2.578   3.559
   33    HA2  GLY   5           HA3      GLY   5  -8.715   4.380   3.422
   34    HA3  GLY   5           HA2      GLY   5 -10.097   4.730   4.460
   35    H    THR   6           H        THR   6  -9.926   2.696   6.428
   36    HA   THR   6           HA       THR   6  -7.809   3.567   8.086
   37    HB   THR   6           HB       THR   6  -9.397   1.043   8.212
   38    HG1  THR   6           HG1      THR   6 -10.059   3.734   8.685
   39   HG21  THR   6          HG21      THR   6  -7.473   1.488   9.702
   40   HG22  THR   6          HG22      THR   6  -9.005   1.168  10.545
   41   HG23  THR   6          HG23      THR   6  -8.418   2.839  10.365
   42    H    LEU   7           H        LEU   7  -8.373   0.754   6.277
   43    HA   LEU   7           HA       LEU   7  -6.196  -0.897   6.813
   44    HB2  LEU   7           HB3      LEU   7  -7.670  -1.643   5.108
   45    HB3  LEU   7           HB2      LEU   7  -7.185  -0.330   4.042
   46    HG   LEU   7           HG       LEU   7  -4.943  -1.253   3.944
   47   HD11  LEU   7          HD11      LEU   7  -4.538  -2.467   5.788
   48   HD12  LEU   7          HD12      LEU   7  -4.817  -3.736   4.592
   49   HD13  LEU   7          HD13      LEU   7  -6.090  -3.295   5.736
   50   HD21  LEU   7          HD21      LEU   7  -7.074  -1.925   2.506
   51   HD22  LEU   7          HD22      LEU   7  -6.574  -3.525   3.042
   52   HD23  LEU   7          HD23      LEU   7  -5.444  -2.499   2.151
   53    H    LEU   8           H        LEU   8  -6.117   1.365   4.430
   54    HA   LEU   8           HA       LEU   8  -3.319   1.481   3.769
   55    HB2  LEU   8           HB3      LEU   8  -5.230   3.801   3.539
   56    HB3  LEU   8           HB2      LEU   8  -3.528   3.838   3.074
   57    HG   LEU   8           HG       LEU   8  -3.853   2.367   1.254
   58   HD11  LEU   8          HD11      LEU   8  -5.879   1.237   0.728
   59   HD12  LEU   8          HD12      LEU   8  -6.698   1.976   2.092
   60   HD13  LEU   8          HD13      LEU   8  -5.389   0.821   2.368
   61   HD21  LEU   8          HD21      LEU   8  -5.330   4.747   1.536
   62   HD22  LEU   8          HD22      LEU   8  -6.258   3.649   0.516
   63   HD23  LEU   8          HD23      LEU   8  -4.587   4.054   0.097
   64    H    GLN   9           H        GLN   9  -5.112   3.142   6.122
   65    HA   GLN   9           HA       GLN   9  -3.076   4.689   7.248
   66    HB2  GLN   9           HB3      GLN   9  -5.188   5.594   7.143
   67    HB3  GLN   9           HB2      GLN   9  -5.917   4.089   7.678
   68    HG2  GLN   9           HG3      GLN   9  -5.586   4.397   9.655
   69    HG3  GLN   9           HG2      GLN   9  -4.168   5.530   9.589
   70   HE21  GLN   9          HE22      GLN   9  -4.725   7.646   9.436
   71   HE22  GLN   9          HE21      GLN   9  -6.320   8.298   9.620
   72    H    ASP  10           H        ASP  10  -4.166   1.643   7.701
   73    HA   ASP  10           HA       ASP  10  -3.369   1.141  10.473
   74    HB2  ASP  10           HB3      ASP  10  -4.104  -0.934   8.362
   75    HB3  ASP  10           HB2      ASP  10  -3.523  -1.350   9.956
   76    H    LEU  11           H        LEU  11  -2.068   0.587   7.213
   77    HA   LEU  11           HA       LEU  11   0.313  -0.467   8.284
   78    HB2  LEU  11           HB3      LEU  11   1.003  -0.769   6.026
   79    HB3  LEU  11           HB2      LEU  11  -0.530  -1.588   6.324
   80    HG   LEU  11           HG       LEU  11  -1.399   0.629   5.208
   81   HD11  LEU  11          HD11      LEU  11   1.318   0.964   5.120
   82   HD12  LEU  11          HD12      LEU  11   0.086   1.935   4.307
   83   HD13  LEU  11          HD13      LEU  11   0.853   0.598   3.453
   84   HD21  LEU  11          HD21      LEU  11  -0.174  -1.365   3.331
   85   HD22  LEU  11          HD22      LEU  11  -1.758  -0.610   3.264
   86   HD23  LEU  11          HD23      LEU  11  -1.392  -1.893   4.461
   87    H    THR  12           H        THR  12  -0.913   2.411   7.173
   88    HA   THR  12           HA       THR  12   1.470   3.930   6.779
   89    HB   THR  12           HB       THR  12  -1.396   4.645   7.185
   90    HG1  THR  12           HG1      THR  12  -1.040   3.905   5.239
   91   HG21  THR  12          HG21      THR  12   0.768   6.359   7.585
   92   HG22  THR  12          HG22      THR  12  -0.998   6.716   7.587
   93   HG23  THR  12          HG23      THR  12  -0.116   6.718   6.033
   94    H    ASN  13           H        ASN  13  -0.582   3.324   9.588
   95    HA   ASN  13           HA       ASN  13   0.810   5.042  11.407
   96    HB2  ASN  13           HB3      ASN  13  -0.734   2.501  12.041
   97    HB3  ASN  13           HB2      ASN  13  -0.046   3.555  13.261
   98   HD21  ASN  13          HD22      ASN  13  -2.866   2.696  11.990
   99   HD22  ASN  13          HD21      ASN  13  -3.744   4.165  12.103
  100    H    ASN  14           H        ASN  14   1.362   1.864  10.258
  101    HA   ASN  14           HA       ASN  14   3.632   1.468  12.064
  102    HB2  ASN  14           HB3      ASN  14   2.402  -0.411  10.015
  103    HB3  ASN  14           HB2      ASN  14   3.811  -0.777  10.990
  104   HD21  ASN  14          HD22      ASN  14   0.442  -0.918  10.882
  105   HD22  ASN  14          HD21      ASN  14   0.202  -1.294  12.544
  106    H    ILE  15           H        ILE  15   3.201   2.916   9.166
  107    HA   ILE  15           HA       ILE  15   5.608   2.080   7.890
  108    HB   ILE  15           HB       ILE  15   3.423   3.989   7.255
  109   HG12  ILE  15          HG13      ILE  15   3.382   1.672   6.512
  110   HG13  ILE  15          HG12      ILE  15   3.333   2.807   5.168
  111   HG21  ILE  15          HG21      ILE  15   4.372   5.205   5.606
  112   HG22  ILE  15          HG22      ILE  15   5.759   4.126   5.432
  113   HG23  ILE  15          HG23      ILE  15   5.666   5.240   6.812
  114   HD11  ILE  15          HD11      ILE  15   6.049   1.923   5.942
  115   HD12  ILE  15          HD12      ILE  15   5.315   2.195   4.364
  116   HD13  ILE  15          HD13      ILE  15   4.994   0.692   5.210
  117    H    THR  16           H        THR  16   7.568   2.729   8.351
  118    HA   THR  16           HA       THR  16   8.047   5.291   9.535
  119    HB   THR  16           HB       THR  16  10.370   4.585   9.584
  120    HG1  THR  16           HG1      THR  16  10.202   1.955   9.169
  121   HG21  THR  16          HG21      THR  16   8.727   4.043  11.347
  122   HG22  THR  16          HG22      THR  16  10.285   3.155  11.325
  123   HG23  THR  16          HG23      THR  16   8.803   2.375  10.669
  124    H    LEU  17           H        LEU  17   9.249   6.528   8.459
  125    HA   LEU  17           HA       LEU  17   8.935   6.901   5.660
  126    HB2  LEU  17           HB3      LEU  17   9.897   8.721   7.038
  127    HB3  LEU  17           HB2      LEU  17  11.390   7.832   7.206
  128    HG   LEU  17           HG       LEU  17  11.774   7.994   4.782
  129   HD11  LEU  17          HD11      LEU  17   9.120   9.256   4.883
  130   HD12  LEU  17          HD12      LEU  17   9.829   8.211   3.672
  131   HD13  LEU  17          HD13      LEU  17  10.285   9.924   3.743
  132   HD21  LEU  17          HD21      LEU  17  12.253   9.894   6.656
  133   HD22  LEU  17          HD22      LEU  17  11.366  10.834   5.451
  134   HD23  LEU  17          HD23      LEU  17  12.818   9.967   4.984
  135    H    GLU  18           H        GLU  18  11.604   5.396   7.345
  136    HA   GLU  18           HA       GLU  18  12.991   4.519   5.052
  137    HB2  GLU  18           HB3      GLU  18  13.053   3.296   7.813
  138    HB3  GLU  18           HB2      GLU  18  14.223   2.961   6.543
  139    HG2  GLU  18           HG3      GLU  18  14.869   5.322   6.531
  140    HG3  GLU  18           HG2      GLU  18  13.736   5.641   7.844
  141    H    ASP  19           H        ASP  19  10.830   2.730   7.016
  142    HA   ASP  19           HA       ASP  19  10.876   0.345   5.569
  143    HB2  ASP  19           HB3      ASP  19   8.569   1.337   7.263
  144    HB3  ASP  19           HB2      ASP  19   8.459  -0.220   6.441
  145    H    LEU  20           H        LEU  20   8.468   2.880   5.151
  146    HA   LEU  20           HA       LEU  20   7.313   2.055   2.802
  147    HB2  LEU  20           HB3      LEU  20   6.849   4.218   4.048
  148    HB3  LEU  20           HB2      LEU  20   8.260   4.822   3.153
  149    HG   LEU  20           HG       LEU  20   7.259   4.276   1.074
  150   HD11  LEU  20          HD11      LEU  20   4.929   3.684   0.828
  151   HD12  LEU  20          HD12      LEU  20   4.736   3.659   2.586
  152   HD13  LEU  20          HD13      LEU  20   5.811   2.503   1.799
  153   HD21  LEU  20          HD21      LEU  20   7.116   6.524   1.859
  154   HD22  LEU  20          HD22      LEU  20   5.713   6.143   2.853
  155   HD23  LEU  20          HD23      LEU  20   5.581   6.128   1.097
  156    H    GLU  21           H        GLU  21  10.321   3.710   3.101
  157    HA   GLU  21           HA       GLU  21  10.704   3.928   0.334
  158    HB2  GLU  21           HB3      GLU  21  12.833   4.049   2.454
  159    HB3  GLU  21           HB2      GLU  21  13.138   4.282   0.729
  160    HG2  GLU  21           HG3      GLU  21  11.270   5.850   2.427
  161    HG3  GLU  21           HG2      GLU  21  12.848   6.429   1.836
  162    H    GLN  22           H        GLN  22  11.424   1.574   2.439
  163    HA   GLN  22           HA       GLN  22  12.907  -0.076   0.618
  164    HB2  GLN  22           HB3      GLN  22  12.868  -0.436   3.149
  165    HB3  GLN  22           HB2      GLN  22  11.336  -1.277   2.880
  166    HG2  GLN  22           HG3      GLN  22  12.465  -2.898   1.442
  167    HG3  GLN  22           HG2      GLN  22  13.984  -2.046   1.658
  168   HE21  GLN  22          HE22      GLN  22  12.693  -4.735   2.416
  169   HE22  GLN  22          HE21      GLN  22  13.263  -4.957   4.049
  170    H    LEU  23           H        LEU  23   9.371   0.043   1.412
  171    HA   LEU  23           HA       LEU  23   8.462  -1.866  -0.394
  172    HB2  LEU  23           HB3      LEU  23   7.266   0.743   0.624
  173    HB3  LEU  23           HB2      LEU  23   6.362  -0.508  -0.186
  174    HG   LEU  23           HG       LEU  23   7.700  -0.782   2.494
  175   HD11  LEU  23          HD11      LEU  23   5.983   0.657   2.949
  176   HD12  LEU  23          HD12      LEU  23   5.143  -0.890   3.070
  177   HD13  LEU  23          HD13      LEU  23   5.009   0.077   1.601
  178   HD21  LEU  23          HD21      LEU  23   7.332  -2.930   2.282
  179   HD22  LEU  23          HD22      LEU  23   6.595  -2.687   0.705
  180   HD23  LEU  23          HD23      LEU  23   5.603  -2.613   2.160
  181    H    LYS  24           H        LYS  24   9.059   1.410  -0.558
  182    HA   LYS  24           HA       LYS  24   8.337   2.162  -3.229
  183    HB2  LYS  24           HB3      LYS  24  10.585   3.240  -1.495
  184    HB3  LYS  24           HB2      LYS  24   9.987   3.973  -2.988
  185    HG2  LYS  24           HG3      LYS  24   7.967   3.504  -0.859
  186    HG3  LYS  24           HG2      LYS  24   9.075   4.843  -0.589
  187    HD2  LYS  24           HD3      LYS  24   7.306   4.311  -2.943
  188    HD3  LYS  24           HD2      LYS  24   7.059   5.520  -1.668
  189    HE2  LYS  24           HE3      LYS  24   9.329   5.411  -3.639
  190    HE3  LYS  24           HE2      LYS  24   8.025   6.579  -3.587
  191    HZ1  LYS  24           HZ1      LYS  24   9.063   7.014  -1.138
  192    HZ2  LYS  24           HZ2      LYS  24   9.688   7.740  -2.533
  193    HZ3  LYS  24           HZ3      LYS  24  10.384   6.387  -1.821
  194    H    SER  25           H        SER  25  11.081   1.337  -2.074
  195    HA   SER  25           HA       SER  25  12.931   0.987  -4.229
  196    HB2  SER  25           HB3      SER  25  13.177  -0.809  -1.786
  197    HB3  SER  25           HB2      SER  25  14.431  -0.612  -3.011
  198    HG   SER  25           HG       SER  25  13.370   1.391  -1.296
  199    H    ALA  26           H        ALA  26  11.045  -1.214  -2.774
  200    HA   ALA  26           HA       ALA  26  11.278  -3.377  -4.653
  201    HB1  ALA  26           HB1      ALA  26   8.618  -3.408  -3.580
  202    HB2  ALA  26           HB2      ALA  26   9.770  -2.996  -2.315
  203    HB3  ALA  26           HB3      ALA  26   9.965  -4.487  -3.230
  204    H    CYS  27           H        CYS  27   8.885  -0.708  -4.374
  205    HA   CYS  27           HA       CYS  27   7.462  -1.326  -6.705
  206    HB2  CYS  27           HB3      CYS  27   7.644   1.342  -5.341
  207    HB3  CYS  27           HB2      CYS  27   6.460   0.726  -6.488
  208    HG   CYS  27           HG       CYS  27   6.935  -0.618  -3.405
  209    H    LYS  28           H        LYS  28  10.559  -0.104  -6.609
  210    HA   LYS  28           HA       LYS  28  10.474   2.283  -7.828
  211    HB2  LYS  28           HB3      LYS  28  12.813   2.099  -8.365
  212    HB3  LYS  28           HB2      LYS  28  12.527   1.091  -6.944
  213    HG2  LYS  28           HG3      LYS  28  12.494  -0.879  -8.412
  214    HG3  LYS  28           HG2      LYS  28  12.867   0.193  -9.775
  215    HD2  LYS  28           HD3      LYS  28  14.922   0.927  -8.505
  216    HD3  LYS  28           HD2      LYS  28  14.605  -0.366  -7.363
  217    HE2  LYS  28           HE3      LYS  28  15.260  -0.633 -10.301
  218    HE3  LYS  28           HE2      LYS  28  16.284  -1.056  -8.938
  219    HZ1  LYS  28           HZ1      LYS  28  14.296  -2.777  -8.486
  220    HZ2  LYS  28           HZ2      LYS  28  15.531  -3.051  -9.608
  221    HZ3  LYS  28           HZ3      LYS  28  14.073  -2.477 -10.156
  222    H    GLU  29           H        GLU  29  10.131  -0.733  -9.385
  223    HA   GLU  29           HA       GLU  29  10.398   0.175 -12.014
  224    HB2  GLU  29           HB3      GLU  29   8.967  -2.260 -11.023
  225    HB3  GLU  29           HB2      GLU  29   9.589  -1.964 -12.656
  226    HG2  GLU  29           HG3      GLU  29  11.204  -2.037 -10.199
  227    HG3  GLU  29           HG2      GLU  29  11.029  -3.457 -11.266
  228    H    ASP  30           H        ASP  30   7.658  -0.489  -9.862
  229    HA   ASP  30           HA       ASP  30   5.706  -0.017 -11.880
  230    HB2  ASP  30           HB3      ASP  30   5.377  -0.723  -8.984
  231    HB3  ASP  30           HB2      ASP  30   4.019  -0.470 -10.044
  232    H    ILE  31           H        ILE  31   6.666   1.760  -8.996
  233    HA   ILE  31           HA       ILE  31   4.570   3.662  -9.646
  234    HB   ILE  31           HB       ILE  31   4.922   2.839  -7.266
  235   HG12  ILE  31          HG13      ILE  31   3.794   5.035  -7.595
  236   HG13  ILE  31          HG12      ILE  31   4.639   4.910  -6.061
  237   HG21  ILE  31          HG21      ILE  31   7.244   2.643  -7.133
  238   HG22  ILE  31          HG22      ILE  31   6.686   3.788  -5.903
  239   HG23  ILE  31          HG23      ILE  31   7.458   4.391  -7.385
  240   HD11  ILE  31          HD11      ILE  31   6.173   6.041  -8.260
  241   HD12  ILE  31          HD12      ILE  31   6.077   6.523  -6.557
  242   HD13  ILE  31          HD13      ILE  31   4.810   7.047  -7.678
  243    HA   PRO  32           HA       PRO  32   7.270   5.699 -12.175
  244    HB2  PRO  32           HB2      PRO  32   6.043   8.262 -11.211
  245    HB3  PRO  32           HB3      PRO  32   6.342   7.724 -12.878
  246    HG2  PRO  32           HG3      PRO  32   3.925   7.560 -11.864
  247    HG3  PRO  32           HG2      PRO  32   4.560   6.211 -12.818
  248    HD2  PRO  32           HD3      PRO  32   4.346   6.570  -9.899
  249    HD3  PRO  32           HD2      PRO  32   3.970   5.085 -10.839
  250    H    SER  33           H        SER  33   9.270   6.334 -12.035
  251    HA   SER  33           HA       SER  33  10.723   6.493  -9.642
  252    HB2  SER  33           HB3      SER  33  11.746   5.956 -11.860
  253    HB3  SER  33           HB2      SER  33  11.570   7.660 -12.310
  254    HG   SER  33           HG       SER  33  12.892   7.496  -9.968
  255    H    GLU  34           H        GLU  34  10.209   9.066 -11.757
  256    HA   GLU  34           HA       GLU  34  10.957  11.186 -10.191
  257    HB2  GLU  34           HB3      GLU  34  10.442  11.594 -12.573
  258    HB3  GLU  34           HB2      GLU  34   8.728  11.432 -12.239
  259    HG2  GLU  34           HG3      GLU  34   8.726  13.447 -10.948
  260    HG3  GLU  34           HG2      GLU  34  10.478  13.581 -11.074
  261    H    LYS  35           H        LYS  35   8.072   9.780 -10.177
  262    HA   LYS  35           HA       LYS  35   6.899  11.329  -8.048
  263    HB2  LYS  35           HB3      LYS  35   5.885   8.834  -9.328
  264    HB3  LYS  35           HB2      LYS  35   5.092   9.463  -7.896
  265    HG2  LYS  35           HG3      LYS  35   5.552  10.993 -10.434
  266    HG3  LYS  35           HG2      LYS  35   4.042  10.189  -9.922
  267    HD2  LYS  35           HD3      LYS  35   3.973  11.442  -7.908
  268    HD3  LYS  35           HD2      LYS  35   5.490  12.256  -8.221
  269    HE2  LYS  35           HE3      LYS  35   4.397  13.403 -10.165
  270    HE3  LYS  35           HE2      LYS  35   2.878  12.641  -9.679
  271    HZ1  LYS  35           HZ1      LYS  35   2.894  13.819  -7.625
  272    HZ2  LYS  35           HZ2      LYS  35   3.304  14.995  -8.779
  273    HZ3  LYS  35           HZ3      LYS  35   4.466  14.278  -7.785
  274    H    SER  36           H        SER  36   8.248   8.098  -7.983
  275    HA   SER  36           HA       SER  36   7.984   7.528  -5.385
  276    HB2  SER  36           HB3      SER  36   8.838   6.011  -6.949
  277    HB3  SER  36           HB2      SER  36  10.272   7.001  -7.325
  278    HG   SER  36           HG       SER  36  11.116   5.721  -5.896
  279    H    GLU  37           H        GLU  37   9.841   9.816  -6.733
  280    HA   GLU  37           HA       GLU  37  11.864  10.471  -4.876
  281    HB2  GLU  37           HB3      GLU  37  10.334  12.447  -6.551
  282    HB3  GLU  37           HB2      GLU  37  11.821  12.809  -5.687
  283    HG2  GLU  37           HG3      GLU  37  11.589  10.678  -7.727
  284    HG3  GLU  37           HG2      GLU  37  12.056  12.325  -8.179
  285    H    GLU  38           H        GLU  38   8.540  12.072  -5.108
  286    HA   GLU  38           HA       GLU  38   8.864  13.431  -2.751
  287    HB2  GLU  38           HB3      GLU  38   6.606  14.231  -3.345
  288    HB3  GLU  38           HB2      GLU  38   7.775  14.313  -4.679
  289    HG2  GLU  38           HG3      GLU  38   6.769  12.288  -5.635
  290    HG3  GLU  38           HG2      GLU  38   5.650  12.210  -4.283
  291    H    ILE  39           H        ILE  39   8.104  10.275  -2.948
  292    HA   ILE  39           HA       ILE  39   5.773  10.296  -1.288
  293    HB   ILE  39           HB       ILE  39   7.435   8.011  -2.277
  294   HG12  ILE  39          HG13      ILE  39   4.715   8.990  -3.131
  295   HG13  ILE  39          HG12      ILE  39   6.241   9.328  -3.992
  296   HG21  ILE  39          HG21      ILE  39   5.611   6.554  -1.579
  297   HG22  ILE  39          HG22      ILE  39   4.641   7.960  -1.099
  298   HG23  ILE  39          HG23      ILE  39   6.070   7.515  -0.161
  299   HD11  ILE  39          HD11      ILE  39   6.321   7.252  -4.800
  300   HD12  ILE  39          HD12      ILE  39   4.562   7.413  -4.588
  301   HD13  ILE  39          HD13      ILE  39   5.521   6.557  -3.365
  302    H    THR  40           H        THR  40   7.049  11.558   0.260
  303    HA   THR  40           HA       THR  40   8.660  10.075   2.184
  304    HB   THR  40           HB       THR  40   9.257  12.351   1.610
  305    HG1  THR  40           HG1      THR  40   8.552  11.746   4.239
  306   HG21  THR  40          HG21      THR  40   6.842  13.012   1.185
  307   HG22  THR  40          HG22      THR  40   7.849  14.263   1.910
  308   HG23  THR  40          HG23      THR  40   6.707  13.317   2.900
  309    H    THR  41           H        THR  41   5.763   9.447   1.904
  310    HA   THR  41           HA       THR  41   5.327   8.849   4.530
  311    HB   THR  41           HB       THR  41   4.633  10.943   4.998
  312    HG1  THR  41           HG1      THR  41   2.466  10.719   5.707
  313   HG21  THR  41          HG21      THR  41   3.761  11.253   2.432
  314   HG22  THR  41          HG22      THR  41   3.583  12.430   3.735
  315   HG23  THR  41          HG23      THR  41   2.253  11.328   3.359
  316    H    GLY  42           H        GLY  42   3.495   7.525   4.999
  317    HA2  GLY  42           HA3      GLY  42   3.173   5.611   2.910
  318    HA3  GLY  42           HA2      GLY  42   2.269   5.557   4.431
  319    H    SER  43           H        SER  43   0.597   7.894   4.393
  320    HA   SER  43           HA       SER  43  -1.335   7.402   2.720
  321    HB2  SER  43           HB3      SER  43  -0.340   9.988   3.938
  322    HB3  SER  43           HB2      SER  43  -2.002   9.671   3.394
  323    HG   SER  43           HG       SER  43  -1.799   9.349   5.622
  324    H    ALA  44           H        ALA  44   1.353   9.486   2.312
  325    HA   ALA  44           HA       ALA  44   0.696  10.897  -0.076
  326    HB1  ALA  44           HB1      ALA  44   3.137  10.646   1.309
  327    HB2  ALA  44           HB2      ALA  44   2.753  11.777   0.014
  328    HB3  ALA  44           HB3      ALA  44   3.478  10.211  -0.369
  329    H    TRP  45           H        TRP  45   2.390   7.854   0.185
  330    HA   TRP  45           HA       TRP  45   2.498   7.324  -2.592
  331    HB2  TRP  45           HB3      TRP  45   3.818   6.151  -0.757
  332    HB3  TRP  45           HB2      TRP  45   2.329   5.380  -0.287
  333    HD1  TRP  45           HD1      TRP  45   3.869   5.676  -3.872
  334    HE1  TRP  45           HE1      TRP  45   3.932   3.242  -4.796
  335    HE3  TRP  45           HE3      TRP  45   2.251   3.090   0.215
  336    HZ2  TRP  45           HZ2      TRP  45   3.463   0.750  -3.993
  337    HZ3  TRP  45           HZ3      TRP  45   2.152   0.624   0.033
  338    HH2  TRP  45           HH2      TRP  45   2.779  -0.471  -2.099
  339    H    PHE  46           H        PHE  46   0.233   6.136  -0.203
  340    HA   PHE  46           HA       PHE  46  -1.324   4.863  -2.103
  341    HB2  PHE  46           HB3      PHE  46  -2.360   6.225   0.376
  342    HB3  PHE  46           HB2      PHE  46  -3.304   5.152  -0.642
  343    HD1  PHE  46           HD1      PHE  46  -2.183   2.894  -1.111
  344    HD2  PHE  46           HD2      PHE  46  -1.357   5.350   2.288
  345    HE1  PHE  46           HE1      PHE  46  -1.555   0.917   0.130
  346    HE2  PHE  46           HE2      PHE  46  -0.747   3.371   3.576
  347    HZ   PHE  46           HZ       PHE  46  -0.854   1.080   2.415
  348    H    SER  47           H        SER  47  -1.826   7.905  -0.831
  349    HA   SER  47           HA       SER  47  -3.883   8.788  -2.552
  350    HB2  SER  47           HB3      SER  47  -1.980  10.515  -1.033
  351    HB3  SER  47           HB2      SER  47  -3.418  11.149  -1.827
  352    HG   SER  47           HG       SER  47  -4.451   9.286  -0.596
  353    H    PHE  48           H        PHE  48  -0.519   8.906  -3.179
  354    HA   PHE  48           HA       PHE  48  -0.711  10.442  -5.608
  355    HB2  PHE  48           HB3      PHE  48   1.517  10.169  -4.758
  356    HB3  PHE  48           HB2      PHE  48   1.309   8.417  -4.597
  357    HD1  PHE  48           HD1      PHE  48   1.031  11.002  -7.294
  358    HD2  PHE  48           HD2      PHE  48   2.219   7.113  -6.113
  359    HE1  PHE  48           HE1      PHE  48   1.712  10.511  -9.590
  360    HE2  PHE  48           HE2      PHE  48   2.953   6.629  -8.387
  361    HZ   PHE  48           HZ       PHE  48   2.702   8.321 -10.143
  362    H    LEU  49           H        LEU  49  -0.437   6.962  -4.794
  363    HA   LEU  49           HA       LEU  49  -0.612   5.866  -7.200
  364    HB2  LEU  49           HB3      LEU  49  -0.191   5.132  -4.821
  365    HB3  LEU  49           HB2      LEU  49  -1.914   4.753  -4.793
  366    HG   LEU  49           HG       LEU  49  -1.505   3.090  -6.679
  367   HD11  LEU  49          HD11      LEU  49   1.382   3.206  -6.326
  368   HD12  LEU  49          HD12      LEU  49   0.725   4.677  -6.991
  369   HD13  LEU  49          HD13      LEU  49   0.414   3.160  -7.815
  370   HD21  LEU  49          HD21      LEU  49  -1.214   2.591  -4.125
  371   HD22  LEU  49          HD22      LEU  49   0.501   2.530  -4.498
  372   HD23  LEU  49          HD23      LEU  49  -0.627   1.446  -5.292
  373    H    GLU  50           H        GLU  50  -3.144   6.245  -4.875
  374    HA   GLU  50           HA       GLU  50  -5.581   5.600  -6.095
  375    HB2  GLU  50           HB3      GLU  50  -5.345   8.096  -4.368
  376    HB3  GLU  50           HB2      GLU  50  -6.830   7.317  -4.801
  377    HG2  GLU  50           HG3      GLU  50  -6.292   5.412  -3.495
  378    HG3  GLU  50           HG2      GLU  50  -4.691   6.081  -3.093
  379    H    SER  51           H        SER  51  -4.218   8.447  -6.050
  380    HA   SER  51           HA       SER  51  -5.836  10.096  -7.774
  381    HB2  SER  51           HB3      SER  51  -2.843  10.565  -7.462
  382    HB3  SER  51           HB2      SER  51  -3.957  11.699  -8.242
  383    HG   SER  51           HG       SER  51  -3.878  10.821  -5.578
  384    H    HIS  52           H        HIS  52  -3.371   7.828  -8.557
  385    HA   HIS  52           HA       HIS  52  -4.060   8.181 -11.369
  386    HB2  HIS  52           HB3      HIS  52  -1.544   7.039 -10.214
  387    HB3  HIS  52           HB2      HIS  52  -1.858   6.937 -11.984
  388    HD1  HIS  52           HD1      HIS  52   0.081   8.621 -12.734
  389    HD2  HIS  52           HD2      HIS  52  -2.137   9.835  -9.487
  390    HE1  HIS  52           HE1      HIS  52   1.043  10.827 -12.142
  391    H    ASN  53           H        ASN  53  -3.701   5.835 -12.570
  392    HA   ASN  53           HA       ASN  53  -5.812   4.340 -11.313
  393    HB2  ASN  53           HB3      ASN  53  -4.482   3.903 -14.000
  394    HB3  ASN  53           HB2      ASN  53  -5.892   3.060 -13.412
  395   HD21  ASN  53          HD22      ASN  53  -4.936   5.376 -15.385
  396   HD22  ASN  53          HD21      ASN  53  -6.320   6.405 -15.423
  397    H    LYS  54           H        LYS  54  -3.600   4.035  -9.765
  398    HA   LYS  54           HA       LYS  54  -2.803   1.340 -10.549
  399    HB2  LYS  54           HB3      LYS  54  -1.326   2.876  -8.432
  400    HB3  LYS  54           HB2      LYS  54  -0.957   1.305  -9.081
  401    HG2  LYS  54           HG3      LYS  54  -0.739   3.967 -10.538
  402    HG3  LYS  54           HG2      LYS  54   0.584   2.918 -10.038
  403    HD2  LYS  54           HD3      LYS  54  -1.523   2.260 -12.099
  404    HD3  LYS  54           HD2      LYS  54   0.130   2.782 -12.441
  405    HE2  LYS  54           HE3      LYS  54   0.970   0.716 -11.446
  406    HE3  LYS  54           HE2      LYS  54  -0.680   0.240 -11.046
  407    HZ1  LYS  54           HZ1      LYS  54  -0.531  -0.805 -13.026
  408    HZ2  LYS  54           HZ2      LYS  54   0.622   0.249 -13.691
  409    HZ3  LYS  54           HZ3      LYS  54  -0.987   0.689 -13.612
  410    H    LEU  55           H        LEU  55  -4.751   2.992  -8.421
  411    HA   LEU  55           HA       LEU  55  -5.385   0.509  -7.036
  412    HB2  LEU  55           HB3      LEU  55  -3.360   1.066  -5.848
  413    HB3  LEU  55           HB2      LEU  55  -3.872   2.709  -5.618
  414    HG   LEU  55           HG       LEU  55  -5.210   0.352  -4.213
  415   HD11  LEU  55          HD11      LEU  55  -3.539   0.371  -2.656
  416   HD12  LEU  55          HD12      LEU  55  -3.469   2.108  -2.625
  417   HD13  LEU  55          HD13      LEU  55  -2.578   1.218  -3.859
  418   HD21  LEU  55          HD21      LEU  55  -5.730   2.183  -2.526
  419   HD22  LEU  55          HD22      LEU  55  -6.579   2.310  -4.065
  420   HD23  LEU  55          HD23      LEU  55  -5.195   3.346  -3.742
  421    H    ASP  56           H        ASP  56  -7.235   0.386  -6.902
  422    HA   ASP  56           HA       ASP  56  -9.206   2.397  -6.600
  423    HB2  ASP  56           HB3      ASP  56  -9.259  -0.478  -6.945
  424    HB3  ASP  56           HB2      ASP  56 -10.671   0.285  -6.223
  425    H    LYS  57           H        LYS  57 -10.936   2.078  -5.249
  426    HA   LYS  57           HA       LYS  57 -10.350   2.295  -2.540
  427    HB2  LYS  57           HB3      LYS  57 -12.735   2.161  -2.148
  428    HB3  LYS  57           HB2      LYS  57 -12.289   3.386  -3.311
  429    HG2  LYS  57           HG3      LYS  57 -14.303   2.310  -4.133
  430    HG3  LYS  57           HG2      LYS  57 -12.889   1.802  -5.104
  431    HD2  LYS  57           HD3      LYS  57 -12.722  -0.191  -3.896
  432    HD3  LYS  57           HD2      LYS  57 -14.067   0.207  -2.852
  433    HE2  LYS  57           HE3      LYS  57 -14.218  -0.344  -5.843
  434    HE3  LYS  57           HE2      LYS  57 -14.756  -1.421  -4.577
  435    HZ1  LYS  57           HZ1      LYS  57 -16.667  -0.415  -5.404
  436    HZ2  LYS  57           HZ2      LYS  57 -16.011   1.111  -5.498
  437    HZ3  LYS  57           HZ3      LYS  57 -16.448   0.441  -4.006
  438    H    ASP  58           H        ASP  58 -10.662  -0.468  -4.412
  439    HA   ASP  58           HA       ASP  58 -10.923  -2.170  -2.011
  440    HB2  ASP  58           HB3      ASP  58 -12.981  -2.061  -3.461
  441    HB3  ASP  58           HB2      ASP  58 -12.038  -2.804  -4.748
  442    H    ASN  59           H        ASN  59  -9.537  -1.648  -5.110
  443    HA   ASN  59           HA       ASN  59  -8.225  -4.194  -5.196
  444    HB2  ASN  59           HB3      ASN  59  -8.178  -1.825  -7.053
  445    HB3  ASN  59           HB2      ASN  59  -7.303  -3.336  -7.360
  446   HD21  ASN  59          HD22      ASN  59 -10.241  -1.739  -7.598
  447   HD22  ASN  59          HD21      ASN  59 -11.227  -3.070  -8.015
  448    H    LEU  60           H        LEU  60  -6.417  -4.716  -4.717
  449    HA   LEU  60           HA       LEU  60  -4.525  -2.766  -3.665
  450    HB2  LEU  60           HB3      LEU  60  -4.376  -4.110  -1.574
  451    HB3  LEU  60           HB2      LEU  60  -5.882  -3.260  -1.852
  452    HG   LEU  60           HG       LEU  60  -6.905  -5.430  -2.584
  453   HD11  LEU  60          HD11      LEU  60  -4.551  -6.849  -1.415
  454   HD12  LEU  60          HD12      LEU  60  -4.718  -6.453  -3.117
  455   HD13  LEU  60          HD13      LEU  60  -5.917  -7.495  -2.357
  456   HD21  LEU  60          HD21      LEU  60  -6.517  -4.458  -0.052
  457   HD22  LEU  60          HD22      LEU  60  -6.040  -6.151   0.097
  458   HD23  LEU  60          HD23      LEU  60  -7.641  -5.731  -0.525
  459    H    SER  61           H        SER  61  -4.835  -5.622  -5.204
  460    HA   SER  61           HA       SER  61  -2.744  -7.158  -4.442
  461    HB2  SER  61           HB3      SER  61  -4.439  -7.923  -6.129
  462    HB3  SER  61           HB2      SER  61  -3.544  -7.046  -7.368
  463    HG   SER  61           HG       SER  61  -2.291  -8.949  -5.764
  464    H    TYR  62           H        TYR  62  -2.382  -4.512  -6.470
  465    HA   TYR  62           HA       TYR  62   0.397  -4.796  -7.176
  466    HB2  TYR  62           HB3      TYR  62  -0.679  -3.095  -8.379
  467    HB3  TYR  62           HB2      TYR  62  -1.345  -2.365  -6.925
  468    HD1  TYR  62           HD2      TYR  62   2.177  -3.334  -7.389
  469    HD2  TYR  62           HD1      TYR  62  -0.586  -0.169  -7.166
  470    HE1  TYR  62           HE2      TYR  62   4.045  -1.762  -7.198
  471    HE2  TYR  62           HE1      TYR  62   1.250   1.433  -7.046
  472    HH   TYR  62           HH       TYR  62   4.575   0.392  -7.377
  473    H    ILE  63           H        ILE  63  -1.125  -3.151  -4.481
  474    HA   ILE  63           HA       ILE  63   1.387  -2.444  -3.296
  475    HB   ILE  63           HB       ILE  63   0.178  -1.263  -1.674
  476   HG12  ILE  63          HG13      ILE  63  -2.366  -2.626  -2.493
  477   HG13  ILE  63          HG12      ILE  63  -1.406  -3.243  -1.142
  478   HG21  ILE  63          HG21      ILE  63  -0.258   0.107  -3.237
  479   HG22  ILE  63          HG22      ILE  63  -1.874  -0.658  -3.301
  480   HG23  ILE  63          HG23      ILE  63  -0.603  -1.218  -4.371
  481   HD11  ILE  63          HD11      ILE  63  -1.463  -0.816  -0.431
  482   HD12  ILE  63          HD12      ILE  63  -2.786  -1.892   0.001
  483   HD13  ILE  63          HD13      ILE  63  -2.973  -0.757  -1.372
  484    H    GLU  64           H        GLU  64  -0.779  -4.986  -3.180
  485    HA   GLU  64           HA       GLU  64  -0.325  -6.223  -0.580
  486    HB2  GLU  64           HB3      GLU  64  -2.203  -6.878  -2.079
  487    HB3  GLU  64           HB2      GLU  64  -1.044  -7.455  -3.257
  488    HG2  GLU  64           HG3      GLU  64  -0.316  -9.147  -1.584
  489    HG3  GLU  64           HG2      GLU  64  -1.611  -8.610  -0.535
  490    H    HIS  65           H        HIS  65   0.895  -7.002  -3.797
  491    HA   HIS  65           HA       HIS  65   3.078  -8.652  -3.121
  492    HB2  HIS  65           HB3      HIS  65   2.093  -8.097  -5.386
  493    HB3  HIS  65           HB2      HIS  65   2.752  -6.484  -5.165
  494    HD1  HIS  65           HD1      HIS  65   4.177 -10.020  -5.186
  495    HD2  HIS  65           HD2      HIS  65   4.932  -6.118  -6.319
  496    HE1  HIS  65           HE1      HIS  65   6.297 -10.172  -6.531
  497    H    ILE  66           H        ILE  66   3.209  -5.280  -3.579
  498    HA   ILE  66           HA       ILE  66   5.697  -4.873  -2.952
  499    HB   ILE  66           HB       ILE  66   3.499  -3.146  -1.919
  500   HG12  ILE  66          HG13      ILE  66   3.399  -3.684  -4.147
  501   HG13  ILE  66          HG12      ILE  66   3.751  -1.942  -4.134
  502   HG21  ILE  66          HG21      ILE  66   5.403  -2.378  -0.716
  503   HG22  ILE  66          HG22      ILE  66   5.231  -1.247  -2.039
  504   HG23  ILE  66          HG23      ILE  66   6.451  -2.524  -2.115
  505   HD11  ILE  66          HD11      ILE  66   6.050  -3.680  -4.314
  506   HD12  ILE  66          HD12      ILE  66   5.531  -2.312  -5.336
  507   HD13  ILE  66          HD13      ILE  66   4.818  -3.926  -5.592
  508    H    PHE  67           H        PHE  67   3.093  -5.124  -0.369
  509    HA   PHE  67           HA       PHE  67   4.931  -4.832   1.559
  510    HB2  PHE  67           HB3      PHE  67   2.178  -6.087   1.658
  511    HB3  PHE  67           HB2      PHE  67   3.155  -5.598   3.046
  512    HD1  PHE  67           HD2      PHE  67   3.990  -3.119   2.936
  513    HD2  PHE  67           HD1      PHE  67   0.640  -4.641   0.901
  514    HE1  PHE  67           HE2      PHE  67   3.166  -0.828   2.630
  515    HE2  PHE  67           HE1      PHE  67  -0.212  -2.358   0.555
  516    HZ   PHE  67           HZ       PHE  67   1.054  -0.441   1.432
  517    H    GLU  68           H        GLU  68   4.118  -7.708  -0.432
  518    HA   GLU  68           HA       GLU  68   4.972  -9.779   1.336
  519    HB2  GLU  68           HB3      GLU  68   3.529 -10.018  -0.660
  520    HB3  GLU  68           HB2      GLU  68   4.790  -9.327  -1.648
  521    HG2  GLU  68           HG3      GLU  68   6.179 -11.363  -0.962
  522    HG3  GLU  68           HG2      GLU  68   4.658 -12.008  -0.340
  523    H    ILE  69           H        ILE  69   6.325  -8.300  -1.477
  524    HA   ILE  69           HA       ILE  69   8.769  -9.498  -1.235
  525    HB   ILE  69           HB       ILE  69   9.574  -8.053  -2.995
  526   HG12  ILE  69          HG13      ILE  69   6.902  -6.665  -2.704
  527   HG13  ILE  69          HG12      ILE  69   8.487  -5.963  -2.389
  528   HG21  ILE  69          HG21      ILE  69   8.499  -9.376  -4.425
  529   HG22  ILE  69          HG22      ILE  69   6.950  -8.627  -4.000
  530   HG23  ILE  69          HG23      ILE  69   7.585  -9.959  -3.023
  531   HD11  ILE  69          HD11      ILE  69   8.612  -7.087  -4.882
  532   HD12  ILE  69          HD12      ILE  69   8.594  -5.349  -4.515
  533   HD13  ILE  69          HD13      ILE  69   7.061  -6.223  -4.833
  534    H    SER  70           H        SER  70   7.887  -6.337  -0.127
  535    HA   SER  70           HA       SER  70  10.591  -5.854   0.746
  536    HB2  SER  70           HB3      SER  70   9.346  -3.962  -0.166
  537    HB3  SER  70           HB2      SER  70   8.086  -4.190   1.039
  538    HG   SER  70           HG       SER  70   9.254  -2.822   2.116
  539    H    ARG  71           H        ARG  71  11.116  -5.575   2.902
  540    HA   ARG  71           HA       ARG  71   9.933  -7.612   4.395
  541    HB2  ARG  71           HB3      ARG  71  12.211  -5.869   5.209
  542    HB3  ARG  71           HB2      ARG  71  11.645  -7.273   6.108
  543    HG2  ARG  71           HG3      ARG  71  12.652  -7.240   3.317
  544    HG3  ARG  71           HG2      ARG  71  13.533  -7.850   4.734
  545    HD2  ARG  71           HD3      ARG  71  11.668  -9.553   4.984
  546    HD3  ARG  71           HD2      ARG  71  11.017  -8.982   3.450
  547    HE   ARG  71           HE       ARG  71  13.170 -10.713   3.873
  548   HH11  ARG  71          HH11      ARG  71  11.862  -8.450   1.442
  549   HH12  ARG  71          HH12      ARG  71  13.076  -8.679   0.320
  550   HH21  ARG  71          HH22      ARG  71  14.914 -11.037   2.248
  551   HH22  ARG  71          HH21      ARG  71  14.844 -10.190   0.775
  552    H    ARG  72           H        ARG  72   7.974  -6.365   4.382
  553    HA   ARG  72           HA       ARG  72   7.377  -5.502   7.085
  554    HB2  ARG  72           HB3      ARG  72   6.876  -3.809   4.681
  555    HB3  ARG  72           HB2      ARG  72   5.752  -3.757   6.031
  556    HG2  ARG  72           HG3      ARG  72   8.674  -3.263   6.364
  557    HG3  ARG  72           HG2      ARG  72   7.544  -1.952   5.965
  558    HD2  ARG  72           HD3      ARG  72   7.848  -1.916   8.356
  559    HD3  ARG  72           HD2      ARG  72   6.261  -2.614   8.013
  560    HE   ARG  72           HE       ARG  72   6.922  -4.473   9.168
  561   HH11  ARG  72          HH11      ARG  72   9.818  -2.526   8.627
  562   HH12  ARG  72          HH12      ARG  72  10.879  -3.778   9.153
  563   HH21  ARG  72          HH22      ARG  72   8.322  -6.023  10.024
  564   HH22  ARG  72          HH21      ARG  72  10.046  -5.746   9.992
  565    HA   PRO  73           HA       PRO  73   4.389  -8.532   5.037
  566    HB2  PRO  73           HB2      PRO  73   4.664 -10.483   6.890
  567    HB3  PRO  73           HB3      PRO  73   5.647 -10.391   5.407
  568    HG2  PRO  73           HG3      PRO  73   6.217  -9.415   8.158
  569    HG3  PRO  73           HG2      PRO  73   7.280 -10.403   7.081
  570    HD2  PRO  73           HD3      PRO  73   7.612  -7.748   7.351
  571    HD3  PRO  73           HD2      PRO  73   7.795  -8.535   5.763
  572    H    ASP  74           H        ASP  74   4.920  -6.943   7.945
  573    HA   ASP  74           HA       ASP  74   2.750  -7.705   9.646
  574    HB2  ASP  74           HB3      ASP  74   4.119  -5.016   9.295
  575    HB3  ASP  74           HB2      ASP  74   3.218  -5.546  10.705
  576    H    LEU  75           H        LEU  75   3.417  -5.247   7.555
  577    HA   LEU  75           HA       LEU  75   0.861  -3.993   7.357
  578    HB2  LEU  75           HB3      LEU  75   3.240  -3.709   5.523
  579    HB3  LEU  75           HB2      LEU  75   1.759  -2.806   5.283
  580    HG   LEU  75           HG       LEU  75   2.162  -1.581   7.429
  581   HD11  LEU  75          HD11      LEU  75   3.491  -3.595   8.403
  582   HD12  LEU  75          HD12      LEU  75   3.912  -1.941   8.845
  583   HD13  LEU  75          HD13      LEU  75   4.864  -2.811   7.637
  584   HD21  LEU  75          HD21      LEU  75   3.121  -0.849   5.263
  585   HD22  LEU  75          HD22      LEU  75   4.628  -1.633   5.750
  586   HD23  LEU  75          HD23      LEU  75   3.965  -0.301   6.702
  587    H    LEU  76           H        LEU  76   2.542  -6.065   5.280
  588    HA   LEU  76           HA       LEU  76   0.678  -6.724   3.174
  589    HB2  LEU  76           HB3      LEU  76   2.829  -8.060   3.418
  590    HB3  LEU  76           HB2      LEU  76   1.975  -8.959   4.693
  591    HG   LEU  76           HG       LEU  76   0.204  -9.345   3.000
  592   HD11  LEU  76          HD11      LEU  76   0.633  -9.497   0.763
  593   HD12  LEU  76          HD12      LEU  76   2.206  -8.709   0.990
  594   HD13  LEU  76          HD13      LEU  76   0.737  -7.862   1.406
  595   HD21  LEU  76          HD21      LEU  76   0.863 -11.374   3.167
  596   HD22  LEU  76          HD22      LEU  76   2.483 -10.866   3.659
  597   HD23  LEU  76          HD23      LEU  76   2.127 -11.113   1.939
  598    H    THR  77           H        THR  77   0.970  -8.304   6.131
  599    HA   THR  77           HA       THR  77  -1.194  -9.947   6.315
  600    HB   THR  77           HB       THR  77   0.057  -8.328   8.452
  601    HG1  THR  77           HG1      THR  77   1.516  -9.744   7.621
  602   HG21  THR  77          HG21      THR  77  -2.090 -10.230   8.486
  603   HG22  THR  77          HG22      THR  77  -1.692  -8.899   9.585
  604   HG23  THR  77          HG23      THR  77  -0.849 -10.483   9.762
  605    H    MET  78           H        MET  78  -1.077  -6.635   7.205
  606    HA   MET  78           HA       MET  78  -3.781  -6.414   7.972
  607    HB2  MET  78           HB3      MET  78  -1.877  -4.248   7.094
  608    HB3  MET  78           HB2      MET  78  -3.511  -3.938   7.685
  609    HG2  MET  78           HG3      MET  78  -1.456  -5.475   9.203
  610    HG3  MET  78           HG2      MET  78  -1.775  -3.729   9.443
  611    HE1  MET  78           HE1      MET  78  -1.562  -5.187  11.652
  612    HE2  MET  78           HE2      MET  78  -2.913  -6.013  12.426
  613    HE3  MET  78           HE3      MET  78  -2.860  -4.248  12.378
  614    H    VAL  79           H        VAL  79  -2.243  -6.096   4.824
  615    HA   VAL  79           HA       VAL  79  -4.568  -5.142   3.449
  616    HB   VAL  79           HB       VAL  79  -2.146  -6.647   2.391
  617   HG11  VAL  79          HG11      VAL  79  -4.439  -6.005   1.028
  618   HG12  VAL  79          HG12      VAL  79  -2.860  -6.342   0.314
  619   HG13  VAL  79          HG13      VAL  79  -3.341  -4.684   0.632
  620   HG21  VAL  79          HG21      VAL  79  -1.250  -4.383   1.844
  621   HG22  VAL  79          HG22      VAL  79  -1.369  -4.753   3.564
  622   HG23  VAL  79          HG23      VAL  79  -2.564  -3.700   2.809
  623    H    VAL  80           H        VAL  80  -2.939  -8.235   3.757
  624    HA   VAL  80           HA       VAL  80  -4.780  -9.914   2.454
  625    HB   VAL  80           HB       VAL  80  -3.074 -10.556   4.914
  626   HG11  VAL  80          HG11      VAL  80  -4.759 -12.232   4.618
  627   HG12  VAL  80          HG12      VAL  80  -3.172 -12.879   4.177
  628   HG13  VAL  80          HG13      VAL  80  -4.325 -12.432   2.919
  629   HG21  VAL  80          HG21      VAL  80  -2.320 -10.094   2.144
  630   HG22  VAL  80          HG22      VAL  80  -1.842 -11.698   2.724
  631   HG23  VAL  80          HG23      VAL  80  -1.312 -10.252   3.578
  632    H    ASP  81           H        ASP  81  -4.526  -9.190   5.648
  633    HA   ASP  81           HA       ASP  81  -6.804 -10.412   6.644
  634    HB2  ASP  81           HB3      ASP  81  -5.156  -9.631   8.277
  635    HB3  ASP  81           HB2      ASP  81  -5.662  -7.964   7.985
  636    H    TYR  82           H        TYR  82  -6.473  -7.195   5.550
  637    HA   TYR  82           HA       TYR  82  -9.028  -6.038   5.953
  638    HB2  TYR  82           HB3      TYR  82  -7.407  -4.678   5.084
  639    HB3  TYR  82           HB2      TYR  82  -7.092  -5.735   3.700
  640    HD1  TYR  82           HD1      TYR  82  -9.902  -3.604   5.194
  641    HD2  TYR  82           HD2      TYR  82  -8.029  -5.319   1.779
  642    HE1  TYR  82           HE1      TYR  82 -11.419  -2.425   3.762
  643    HE2  TYR  82           HE2      TYR  82  -9.553  -4.152   0.335
  644    HH   TYR  82           HH       TYR  82 -11.425  -2.959   0.272
  645    H    ARG  83           H        ARG  83  -7.768  -7.903   3.259
  646    HA   ARG  83           HA       ARG  83 -10.017  -8.004   1.703
  647    HB2  ARG  83           HB3      ARG  83  -8.122  -8.596   0.588
  648    HB3  ARG  83           HB2      ARG  83  -7.470  -9.490   1.931
  649    HG2  ARG  83           HG3      ARG  83  -9.741 -10.594   0.350
  650    HG3  ARG  83           HG2      ARG  83  -8.061 -10.757  -0.262
  651    HD2  ARG  83           HD3      ARG  83  -7.561 -11.812   1.968
  652    HD3  ARG  83           HD2      ARG  83  -9.286 -11.772   2.323
  653    HE   ARG  83           HE       ARG  83  -8.870 -13.070  -0.112
  654   HH11  ARG  83          HH11      ARG  83  -8.508 -13.637   3.423
  655   HH12  ARG  83          HH12      ARG  83  -8.471 -15.319   3.281
  656   HH21  ARG  83          HH22      ARG  83  -8.768 -15.480  -0.251
  657   HH22  ARG  83          HH21      ARG  83  -8.537 -16.375   1.165
  658    H    THR  84           H        THR  84  -8.924 -10.046   4.038
  659    HA   THR  84           HA       THR  84 -11.040 -11.951   4.111
  660    HB   THR  84           HB       THR  84  -9.112 -11.021   6.115
  661    HG1  THR  84           HG1      THR  84  -7.770 -12.109   5.049
  662   HG21  THR  84          HG21      THR  84 -11.215 -12.943   6.273
  663   HG22  THR  84          HG22      THR  84 -10.322 -12.054   7.513
  664   HG23  THR  84          HG23      THR  84  -9.627 -13.572   6.827
  665    H    ARG  85           H        ARG  85 -10.354  -9.773   6.416
  666    HA   ARG  85           HA       ARG  85 -12.439  -9.759   8.095
  667    HB2  ARG  85           HB3      ARG  85 -11.975  -7.547   9.123
  668    HB3  ARG  85           HB2      ARG  85 -10.473  -8.364   8.751
  669    HG2  ARG  85           HG3      ARG  85 -10.230  -7.065   6.740
  670    HG3  ARG  85           HG2      ARG  85 -11.759  -6.274   7.014
  671    HD2  ARG  85           HD3      ARG  85 -10.123  -4.708   7.670
  672    HD3  ARG  85           HD2      ARG  85 -10.839  -5.483   9.105
  673    HE   ARG  85           HE       ARG  85  -8.603  -6.916   8.870
  674   HH11  ARG  85          HH11      ARG  85  -8.838  -3.321   8.690
  675   HH12  ARG  85          HH12      ARG  85  -7.398  -3.037   9.512
  676   HH21  ARG  85          HH22      ARG  85  -6.771  -6.544   9.989
  677   HH22  ARG  85          HH21      ARG  85  -6.100  -4.980  10.321
  678    H    VAL  86           H        VAL  86 -12.163  -7.539   5.772
  679    HA   VAL  86           HA       VAL  86 -14.800  -6.427   5.778
  680    HB   VAL  86           HB       VAL  86 -12.776  -6.296   3.570
  681   HG11  VAL  86          HG11      VAL  86 -15.343  -5.800   2.982
  682   HG12  VAL  86          HG12      VAL  86 -14.114  -4.647   2.456
  683   HG13  VAL  86          HG13      VAL  86 -15.059  -4.321   3.903
  684   HG21  VAL  86          HG21      VAL  86 -13.050  -5.130   6.082
  685   HG22  VAL  86          HG22      VAL  86 -13.267  -3.836   4.898
  686   HG23  VAL  86          HG23      VAL  86 -11.816  -4.830   4.852
  687    H    LEU  87           H        LEU  87 -13.470  -9.069   4.029
  688    HA   LEU  87           HA       LEU  87 -15.623  -9.755   2.319
  689    HB2  LEU  87           HB3      LEU  87 -13.234 -10.505   2.304
  690    HB3  LEU  87           HB2      LEU  87 -13.513 -11.307   3.810
  691    HG   LEU  87           HG       LEU  87 -13.195 -12.832   2.036
  692   HD11  LEU  87          HD11      LEU  87 -14.489 -13.683   3.721
  693   HD12  LEU  87          HD12      LEU  87 -15.256 -14.237   2.222
  694   HD13  LEU  87          HD13      LEU  87 -15.966 -12.906   3.161
  695   HD21  LEU  87          HD21      LEU  87 -13.781 -12.045   0.044
  696   HD22  LEU  87          HD22      LEU  87 -15.174 -11.165   0.668
  697   HD23  LEU  87          HD23      LEU  87 -15.313 -12.905   0.361
  698    H    LYS  88           H        LYS  88 -14.540 -10.794   5.502
  699    HA   LYS  88           HA       LYS  88 -16.580 -12.500   6.115
  700    HB2  LYS  88           HB3      LYS  88 -14.199 -12.389   7.012
  701    HB3  LYS  88           HB2      LYS  88 -14.739 -11.106   8.062
  702    HG2  LYS  88           HG3      LYS  88 -14.694 -13.248   9.229
  703    HG3  LYS  88           HG2      LYS  88 -16.343 -12.620   9.127
  704    HD2  LYS  88           HD3      LYS  88 -16.815 -14.068   7.231
  705    HD3  LYS  88           HD2      LYS  88 -15.159 -14.647   7.230
  706    HE2  LYS  88           HE3      LYS  88 -17.129 -15.037   9.475
  707    HE3  LYS  88           HE2      LYS  88 -16.762 -16.220   8.218
  708    HZ1  LYS  88           HZ1      LYS  88 -14.387 -16.040   9.020
  709    HZ2  LYS  88           HZ2      LYS  88 -15.514 -16.819  10.021
  710    HZ3  LYS  88           HZ3      LYS  88 -15.020 -15.263  10.420
  711    H    ILE  89           H        ILE  89 -16.326  -9.029   6.699
  712    HA   ILE  89           HA       ILE  89 -18.383  -8.886   8.617
  713    HB   ILE  89           HB       ILE  89 -16.991  -6.987   6.791
  714   HG12  ILE  89          HG13      ILE  89 -16.787  -7.298   9.808
  715   HG13  ILE  89          HG12      ILE  89 -15.592  -7.743   8.571
  716   HG21  ILE  89          HG21      ILE  89 -19.458  -6.559   8.041
  717   HG22  ILE  89          HG22      ILE  89 -18.567  -5.624   6.869
  718   HG23  ILE  89          HG23      ILE  89 -18.263  -5.354   8.619
  719   HD11  ILE  89          HD11      ILE  89 -15.038  -5.524   8.130
  720   HD12  ILE  89          HD12      ILE  89 -15.166  -5.645   9.878
  721   HD13  ILE  89          HD13      ILE  89 -16.470  -4.905   8.960
  722    H    SER  90           H        SER  90 -17.988  -8.233   5.190
  723    HA   SER  90           HA       SER  90 -20.727  -7.486   4.846
  724    HB2  SER  90           HB3      SER  90 -18.566  -7.925   2.793
  725    HB3  SER  90           HB2      SER  90 -20.092  -7.034   2.596
  726    HG   SER  90           HG       SER  90 -17.761  -6.344   3.887
  Start of MODEL    8
    1    H1   MET   1           H        MET   1 -15.296   0.498   2.689
    2    H2   MET   1           H2       MET   1 -16.452   1.545   2.123
    3    H3   MET   1           H3       MET   1 -15.858   0.339   1.102
    4    HA   MET   1           HA       MET   1 -13.897   1.420   0.694
    5    HB2  MET   1           HB3      MET   1 -15.858   3.645   1.322
    6    HB3  MET   1           HB2      MET   1 -14.389   3.877   0.403
    7    HG2  MET   1           HG3      MET   1 -15.203   2.350  -1.322
    8    HG3  MET   1           HG2      MET   1 -16.708   2.141  -0.409
    9    HE1  MET   1           HE1      MET   1 -17.561   4.379  -3.604
   10    HE2  MET   1           HE2      MET   1 -18.235   3.088  -2.634
   11    HE3  MET   1           HE3      MET   1 -16.643   2.883  -3.358
   12    H    ALA   2           H        ALA   2 -15.380   2.750   3.393
   13    HA   ALA   2           HA       ALA   2 -13.182   4.220   4.451
   14    HB1  ALA   2           HB1      ALA   2 -14.992   3.083   6.547
   15    HB2  ALA   2           HB2      ALA   2 -15.718   4.181   5.391
   16    HB3  ALA   2           HB3      ALA   2 -14.366   4.717   6.408
   17    H    GLU   3           H        GLU   3 -14.173   1.091   5.540
   18    HA   GLU   3           HA       GLU   3 -12.227   0.336   7.147
   19    HB2  GLU   3           HB3      GLU   3 -13.047  -1.543   4.877
   20    HB3  GLU   3           HB2      GLU   3 -12.503  -1.969   6.484
   21    HG2  GLU   3           HG3      GLU   3 -14.837  -2.398   6.388
   22    HG3  GLU   3           HG2      GLU   3 -14.625  -0.933   7.349
   23    H    TYR   4           H        TYR   4 -12.201   0.217   3.915
   24    HA   TYR   4           HA       TYR   4  -9.533  -0.640   3.252
   25    HB2  TYR   4           HB3      TYR   4 -11.209  -0.540   1.437
   26    HB3  TYR   4           HB2      TYR   4 -11.083   1.243   1.390
   27    HD1  TYR   4           HD1      TYR   4  -8.642  -1.515   1.579
   28    HD2  TYR   4           HD2      TYR   4  -9.978   1.807  -0.728
   29    HE1  TYR   4           HE1      TYR   4  -6.794  -1.864   0.005
   30    HE2  TYR   4           HE2      TYR   4  -8.135   1.462  -2.276
   31    HH   TYR   4           HH       TYR   4  -6.623  -0.470  -2.989
   32    H    GLY   5           H        GLY   5 -10.909   2.415   3.484
   33    HA2  GLY   5           HA3      GLY   5  -8.761   4.268   3.236
   34    HA3  GLY   5           HA2      GLY   5 -10.115   4.588   4.316
   35    H    THR   6           H        THR   6  -9.809   2.674   6.322
   36    HA   THR   6           HA       THR   6  -7.653   3.645   7.875
   37    HB   THR   6           HB       THR   6  -9.383   1.194   8.212
   38    HG1  THR   6           HG1      THR   6  -9.997   3.469   9.637
   39   HG21  THR   6          HG21      THR   6  -8.908   1.457  10.523
   40   HG22  THR   6          HG22      THR   6  -8.070   2.985  10.188
   41   HG23  THR   6          HG23      THR   6  -7.396   1.459   9.589
   42    H    LEU   7           H        LEU   7  -8.230   0.729   6.215
   43    HA   LEU   7           HA       LEU   7  -6.028  -0.910   6.723
   44    HB2  LEU   7           HB3      LEU   7  -7.558  -1.660   5.015
   45    HB3  LEU   7           HB2      LEU   7  -7.083  -0.354   3.958
   46    HG   LEU   7           HG       LEU   7  -4.882  -1.355   3.686
   47   HD11  LEU   7          HD11      LEU   7  -4.280  -2.570   5.446
   48   HD12  LEU   7          HD12      LEU   7  -4.938  -3.881   4.465
   49   HD13  LEU   7          HD13      LEU   7  -5.899  -3.176   5.754
   50   HD21  LEU   7          HD21      LEU   7  -5.590  -2.681   2.005
   51   HD22  LEU   7          HD22      LEU   7  -7.178  -2.081   2.472
   52   HD23  LEU   7          HD23      LEU   7  -6.628  -3.650   3.046
   53    H    LEU   8           H        LEU   8  -6.005   1.324   4.353
   54    HA   LEU   8           HA       LEU   8  -3.203   1.526   3.683
   55    HB2  LEU   8           HB3      LEU   8  -5.215   3.771   3.403
   56    HB3  LEU   8           HB2      LEU   8  -3.520   3.868   2.946
   57    HG   LEU   8           HG       LEU   8  -3.800   2.319   1.148
   58   HD11  LEU   8          HD11      LEU   8  -6.691   1.926   1.814
   59   HD12  LEU   8          HD12      LEU   8  -5.411   0.832   2.357
   60   HD13  LEU   8          HD13      LEU   8  -5.698   1.073   0.631
   61   HD21  LEU   8          HD21      LEU   8  -5.133   3.560  -0.303
   62   HD22  LEU   8          HD22      LEU   8  -4.640   4.697   0.948
   63   HD23  LEU   8          HD23      LEU   8  -6.268   4.007   0.979
   64    H    GLN   9           H        GLN   9  -5.077   3.161   6.068
   65    HA   GLN   9           HA       GLN   9  -3.033   4.774   7.074
   66    HB2  GLN   9           HB3      GLN   9  -5.096   5.713   7.086
   67    HB3  GLN   9           HB2      GLN   9  -5.842   4.210   7.599
   68    HG2  GLN   9           HG3      GLN   9  -5.488   4.469   9.568
   69    HG3  GLN   9           HG2      GLN   9  -3.999   5.507   9.501
   70   HE21  GLN   9          HE22      GLN   9  -4.376   7.602   9.668
   71   HE22  GLN   9          HE21      GLN   9  -5.909   8.396   9.793
   72    H    ASP  10           H        ASP  10  -3.998   1.799   7.733
   73    HA   ASP  10           HA       ASP  10  -2.885   1.550  10.451
   74    HB2  ASP  10           HB3      ASP  10  -4.158  -0.728   8.929
   75    HB3  ASP  10           HB2      ASP  10  -3.166  -0.981  10.352
   76    H    LEU  11           H        LEU  11  -1.918   0.691   7.237
   77    HA   LEU  11           HA       LEU  11   0.461  -0.433   8.265
   78    HB2  LEU  11           HB3      LEU  11   1.103  -0.752   5.972
   79    HB3  LEU  11           HB2      LEU  11  -0.418  -1.549   6.371
   80    HG   LEU  11           HG       LEU  11  -1.360   0.607   5.298
   81   HD11  LEU  11          HD11      LEU  11   1.285   1.079   5.107
   82   HD12  LEU  11          HD12      LEU  11   0.008   1.922   4.218
   83   HD13  LEU  11          HD13      LEU  11   0.880   0.577   3.461
   84   HD21  LEU  11          HD21      LEU  11  -0.729  -0.850   2.998
   85   HD22  LEU  11          HD22      LEU  11  -2.118  -1.096   4.051
   86   HD23  LEU  11          HD23      LEU  11  -0.664  -2.036   4.297
   87    H    THR  12           H        THR  12  -0.685   2.427   7.156
   88    HA   THR  12           HA       THR  12   1.726   3.967   6.800
   89    HB   THR  12           HB       THR  12  -1.150   4.670   7.154
   90    HG1  THR  12           HG1      THR  12  -0.839   3.987   5.198
   91   HG21  THR  12          HG21      THR  12  -0.729   6.655   7.702
   92   HG22  THR  12          HG22      THR  12   0.014   6.813   6.089
   93   HG23  THR  12          HG23      THR  12   1.047   6.399   7.537
   94    H    ASN  13           H        ASN  13  -0.367   3.253   9.543
   95    HA   ASN  13           HA       ASN  13   0.929   4.892  11.472
   96    HB2  ASN  13           HB3      ASN  13  -0.608   2.307  11.967
   97    HB3  ASN  13           HB2      ASN  13   0.027   3.316  13.243
   98   HD21  ASN  13          HD22      ASN  13  -2.791   2.517  11.968
   99   HD22  ASN  13          HD21      ASN  13  -3.629   4.012  12.042
  100    H    ASN  14           H        ASN  14   1.568   1.772  10.217
  101    HA   ASN  14           HA       ASN  14   3.751   1.304  12.096
  102    HB2  ASN  14           HB3      ASN  14   2.691  -0.484   9.860
  103    HB3  ASN  14           HB2      ASN  14   4.009  -0.884  10.922
  104   HD21  ASN  14          HD22      ASN  14   0.710  -1.091  10.526
  105   HD22  ASN  14          HD21      ASN  14   0.311  -1.551  12.137
  106    H    ILE  15           H        ILE  15   3.376   2.838   9.202
  107    HA   ILE  15           HA       ILE  15   5.845   2.132   7.992
  108    HB   ILE  15           HB       ILE  15   3.588   3.950   7.300
  109   HG12  ILE  15          HG13      ILE  15   3.721   1.611   6.594
  110   HG13  ILE  15          HG12      ILE  15   3.614   2.748   5.230
  111   HG21  ILE  15          HG21      ILE  15   6.293   4.674   6.600
  112   HG22  ILE  15          HG22      ILE  15   4.767   5.564   6.396
  113   HG23  ILE  15          HG23      ILE  15   5.263   4.354   5.203
  114   HD11  ILE  15          HD11      ILE  15   6.032   1.250   6.219
  115   HD12  ILE  15          HD12      ILE  15   6.087   2.636   5.129
  116   HD13  ILE  15          HD13      ILE  15   5.247   1.189   4.604
  117    H    THR  16           H        THR  16   7.764   2.825   8.504
  118    HA   THR  16           HA       THR  16   8.162   5.359   9.747
  119    HB   THR  16           HB       THR  16  10.507   4.722   9.721
  120    HG1  THR  16           HG1      THR  16  10.132   2.048   9.180
  121   HG21  THR  16          HG21      THR  16  10.505   3.157  11.393
  122   HG22  THR  16          HG22      THR  16   8.924   2.512  10.852
  123   HG23  THR  16          HG23      THR  16   9.040   4.174  11.546
  124    H    LEU  17           H        LEU  17   9.365   6.657   8.690
  125    HA   LEU  17           HA       LEU  17   9.040   7.121   5.874
  126    HB2  LEU  17           HB3      LEU  17   9.833   8.874   7.335
  127    HB3  LEU  17           HB2      LEU  17  11.362   8.033   7.535
  128    HG   LEU  17           HG       LEU  17  11.182  10.031   6.064
  129   HD11  LEU  17          HD11      LEU  17  13.189   9.263   5.142
  130   HD12  LEU  17          HD12      LEU  17  12.318   8.137   4.116
  131   HD13  LEU  17          HD13      LEU  17  12.756   7.667   5.751
  132   HD21  LEU  17          HD21      LEU  17   9.282   9.743   4.797
  133   HD22  LEU  17          HD22      LEU  17   9.709   8.094   4.328
  134   HD23  LEU  17          HD23      LEU  17  10.582   9.451   3.632
  135    H    GLU  18           H        GLU  18  11.748   5.603   7.504
  136    HA   GLU  18           HA       GLU  18  13.087   4.801   5.175
  137    HB2  GLU  18           HB3      GLU  18  13.213   3.590   7.939
  138    HB3  GLU  18           HB2      GLU  18  14.355   3.213   6.651
  139    HG2  GLU  18           HG3      GLU  18  15.117   5.515   6.588
  140    HG3  GLU  18           HG2      GLU  18  13.902   5.993   7.765
  141    H    ASP  19           H        ASP  19  10.990   2.921   7.113
  142    HA   ASP  19           HA       ASP  19  10.988   0.593   5.562
  143    HB2  ASP  19           HB3      ASP  19   8.780   1.502   7.415
  144    HB3  ASP  19           HB2      ASP  19   8.553   0.021   6.453
  145    H    LEU  20           H        LEU  20   8.578   3.136   5.232
  146    HA   LEU  20           HA       LEU  20   7.371   2.264   2.923
  147    HB2  LEU  20           HB3      LEU  20   6.891   4.504   4.093
  148    HB3  LEU  20           HB2      LEU  20   8.259   5.058   3.105
  149    HG   LEU  20           HG       LEU  20   7.181   4.339   1.100
  150   HD11  LEU  20          HD11      LEU  20   4.713   3.945   1.096
  151   HD12  LEU  20          HD12      LEU  20   4.818   3.679   2.830
  152   HD13  LEU  20          HD13      LEU  20   5.709   2.634   1.711
  153   HD21  LEU  20          HD21      LEU  20   5.429   6.253   2.588
  154   HD22  LEU  20          HD22      LEU  20   5.737   6.200   0.854
  155   HD23  LEU  20          HD23      LEU  20   7.034   6.651   1.948
  156    H    GLU  21           H        GLU  21  10.386   3.898   3.120
  157    HA   GLU  21           HA       GLU  21  10.765   4.188   0.331
  158    HB2  GLU  21           HB3      GLU  21  12.885   4.099   2.464
  159    HB3  GLU  21           HB2      GLU  21  13.238   4.444   0.774
  160    HG2  GLU  21           HG3      GLU  21  11.696   6.374   0.919
  161    HG3  GLU  21           HG2      GLU  21  11.498   6.044   2.642
  162    H    GLN  22           H        GLN  22  11.404   1.772   2.402
  163    HA   GLN  22           HA       GLN  22  12.786   0.103   0.537
  164    HB2  GLN  22           HB3      GLN  22  12.928  -0.357   3.028
  165    HB3  GLN  22           HB2      GLN  22  11.303  -1.029   2.887
  166    HG2  GLN  22           HG3      GLN  22  12.025  -2.739   1.423
  167    HG3  GLN  22           HG2      GLN  22  13.631  -2.036   1.300
  168   HE21  GLN  22          HE22      GLN  22  11.974  -4.349   2.607
  169   HE22  GLN  22          HE21      GLN  22  12.954  -4.729   4.030
  170    H    LEU  23           H        LEU  23   9.290   0.278   1.451
  171    HA   LEU  23           HA       LEU  23   8.383  -1.587  -0.364
  172    HB2  LEU  23           HB3      LEU  23   7.171   1.026   0.609
  173    HB3  LEU  23           HB2      LEU  23   6.301  -0.246  -0.229
  174    HG   LEU  23           HG       LEU  23   7.579  -0.472   2.465
  175   HD11  LEU  23          HD11      LEU  23   5.205  -0.541   3.216
  176   HD12  LEU  23          HD12      LEU  23   4.751  -0.046   1.580
  177   HD13  LEU  23          HD13      LEU  23   5.745   1.020   2.593
  178   HD21  LEU  23          HD21      LEU  23   6.799  -2.584   2.625
  179   HD22  LEU  23          HD22      LEU  23   7.239  -2.497   0.919
  180   HD23  LEU  23          HD23      LEU  23   5.533  -2.324   1.394
  181    H    LYS  24           H        LYS  24   9.197   1.655  -0.516
  182    HA   LYS  24           HA       LYS  24   8.424   2.212  -3.235
  183    HB2  LYS  24           HB3      LYS  24  10.669   3.702  -1.843
  184    HB3  LYS  24           HB2      LYS  24   9.864   4.212  -3.310
  185    HG2  LYS  24           HG3      LYS  24   8.602   4.200  -0.482
  186    HG3  LYS  24           HG2      LYS  24   9.149   5.575  -1.379
  187    HD2  LYS  24           HD3      LYS  24   6.860   5.573  -1.327
  188    HD3  LYS  24           HD2      LYS  24   7.320   5.210  -2.970
  189    HE2  LYS  24           HE3      LYS  24   6.429   3.144  -0.945
  190    HE3  LYS  24           HE2      LYS  24   5.317   3.975  -2.013
  191    HZ1  LYS  24           HZ1      LYS  24   5.642   2.193  -3.245
  192    HZ2  LYS  24           HZ2      LYS  24   7.107   1.771  -2.528
  193    HZ3  LYS  24           HZ3      LYS  24   7.068   2.952  -3.741
  194    H    SER  25           H        SER  25  11.120   1.466  -2.072
  195    HA   SER  25           HA       SER  25  12.993   0.990  -4.211
  196    HB2  SER  25           HB3      SER  25  13.076  -0.784  -1.727
  197    HB3  SER  25           HB2      SER  25  14.371  -0.637  -2.913
  198    HG   SER  25           HG       SER  25  13.329   1.446  -1.285
  199    H    ALA  26           H        ALA  26  10.948  -1.135  -2.720
  200    HA   ALA  26           HA       ALA  26  11.024  -3.322  -4.589
  201    HB1  ALA  26           HB1      ALA  26   8.560  -2.605  -3.046
  202    HB2  ALA  26           HB2      ALA  26   9.971  -3.303  -2.243
  203    HB3  ALA  26           HB3      ALA  26   9.137  -4.216  -3.504
  204    H    CYS  27           H        CYS  27   8.768  -0.557  -4.301
  205    HA   CYS  27           HA       CYS  27   7.436  -1.177  -6.696
  206    HB2  CYS  27           HB3      CYS  27   7.503   1.474  -5.294
  207    HB3  CYS  27           HB2      CYS  27   6.416   0.901  -6.545
  208    HG   CYS  27           HG       CYS  27   5.100  -0.898  -4.999
  209    H    LYS  28           H        LYS  28  10.488   0.061  -6.477
  210    HA   LYS  28           HA       LYS  28  10.521   2.487  -7.670
  211    HB2  LYS  28           HB3      LYS  28  12.903   2.093  -8.148
  212    HB3  LYS  28           HB2      LYS  28  12.425   1.311  -6.640
  213    HG2  LYS  28           HG3      LYS  28  12.286  -0.812  -7.698
  214    HG3  LYS  28           HG2      LYS  28  12.723  -0.135  -9.262
  215    HD2  LYS  28           HD3      LYS  28  14.922   0.542  -8.253
  216    HD3  LYS  28           HD2      LYS  28  14.424  -0.288  -6.771
  217    HE2  LYS  28           HE3      LYS  28  14.816  -1.526  -9.497
  218    HE3  LYS  28           HE2      LYS  28  15.855  -1.731  -8.099
  219    HZ1  LYS  28           HZ1      LYS  28  13.452  -2.531  -7.124
  220    HZ2  LYS  28           HZ2      LYS  28  14.620  -3.575  -7.769
  221    HZ3  LYS  28           HZ3      LYS  28  13.374  -3.068  -8.745
  222    H    GLU  29           H        GLU  29  10.510  -0.502  -9.277
  223    HA   GLU  29           HA       GLU  29  10.650   0.473 -11.903
  224    HB2  GLU  29           HB3      GLU  29  10.099  -2.153 -10.641
  225    HB3  GLU  29           HB2      GLU  29  10.317  -1.953 -12.393
  226    HG2  GLU  29           HG3      GLU  29  12.547  -1.089 -12.112
  227    HG3  GLU  29           HG2      GLU  29  12.328  -0.962 -10.383
  228    H    ASP  30           H        ASP  30   7.962  -0.405  -9.751
  229    HA   ASP  30           HA       ASP  30   6.038  -0.195 -11.908
  230    HB2  ASP  30           HB3      ASP  30   5.671  -0.869  -9.021
  231    HB3  ASP  30           HB2      ASP  30   4.312  -0.548 -10.076
  232    H    ILE  31           H        ILE  31   6.728   1.721  -9.023
  233    HA   ILE  31           HA       ILE  31   4.672   3.575  -9.928
  234    HB   ILE  31           HB       ILE  31   4.772   2.805  -7.480
  235   HG12  ILE  31          HG13      ILE  31   3.655   5.010  -8.005
  236   HG13  ILE  31          HG12      ILE  31   4.322   4.903  -6.389
  237   HG21  ILE  31          HG21      ILE  31   7.178   4.522  -7.266
  238   HG22  ILE  31          HG22      ILE  31   7.185   2.753  -7.302
  239   HG23  ILE  31          HG23      ILE  31   6.376   3.623  -5.974
  240   HD11  ILE  31          HD11      ILE  31   5.693   6.572  -6.714
  241   HD12  ILE  31          HD12      ILE  31   4.725   6.999  -8.136
  242   HD13  ILE  31          HD13      ILE  31   6.160   5.996  -8.336
  243    HA   PRO  32           HA       PRO  32   7.579   5.535 -12.162
  244    HB2  PRO  32           HB2      PRO  32   6.716   8.246 -12.009
  245    HB3  PRO  32           HB3      PRO  32   6.344   7.010 -13.238
  246    HG2  PRO  32           HG3      PRO  32   4.802   7.873 -10.881
  247    HG3  PRO  32           HG2      PRO  32   4.271   7.265 -12.466
  248    HD2  PRO  32           HD3      PRO  32   4.205   5.800 -10.215
  249    HD3  PRO  32           HD2      PRO  32   4.445   5.094 -11.844
  250    H    SER  33           H        SER  33   9.410   6.352 -12.002
  251    HA   SER  33           HA       SER  33  10.871   6.539  -9.628
  252    HB2  SER  33           HB3      SER  33  12.061   6.189 -11.722
  253    HB3  SER  33           HB2      SER  33  11.651   7.820 -12.254
  254    HG   SER  33           HG       SER  33  12.952   8.178  -9.998
  255    H    GLU  34           H        GLU  34  10.130   9.143 -11.569
  256    HA   GLU  34           HA       GLU  34  10.749  11.374  -9.953
  257    HB2  GLU  34           HB3      GLU  34   9.832  11.859 -12.220
  258    HB3  GLU  34           HB2      GLU  34   8.205  11.473 -11.641
  259    HG2  GLU  34           HG3      GLU  34   8.422  13.277  -9.954
  260    HG3  GLU  34           HG2      GLU  34   9.959  13.708 -10.661
  261    H    LYS  35           H        LYS  35   7.936   9.657  -9.912
  262    HA   LYS  35           HA       LYS  35   6.706  11.177  -7.897
  263    HB2  LYS  35           HB3      LYS  35   5.909   8.460  -8.787
  264    HB3  LYS  35           HB2      LYS  35   4.963   9.472  -7.719
  265    HG2  LYS  35           HG3      LYS  35   5.789  10.144 -10.471
  266    HG3  LYS  35           HG2      LYS  35   4.195   9.482 -10.067
  267    HD2  LYS  35           HD3      LYS  35   3.707  11.827 -10.086
  268    HD3  LYS  35           HD2      LYS  35   4.311  11.509  -8.440
  269    HE2  LYS  35           HE3      LYS  35   6.400  12.335  -8.835
  270    HE3  LYS  35           HE2      LYS  35   6.174  12.402 -10.582
  271    HZ1  LYS  35           HZ1      LYS  35   5.247  14.190  -8.453
  272    HZ2  LYS  35           HZ2      LYS  35   4.404  14.176  -9.951
  273    HZ3  LYS  35           HZ3      LYS  35   6.036  14.555  -9.918
  274    H    SER  36           H        SER  36   8.027   7.873  -7.782
  275    HA   SER  36           HA       SER  36   7.710   7.384  -5.114
  276    HB2  SER  36           HB3      SER  36   8.445   5.728  -6.759
  277    HB3  SER  36           HB2      SER  36  10.010   6.558  -6.895
  278    HG   SER  36           HG       SER  36  10.287   6.125  -4.652
  279    H    GLU  37           H        GLU  37   9.836   9.325  -6.648
  280    HA   GLU  37           HA       GLU  37  11.831   9.785  -4.649
  281    HB2  GLU  37           HB3      GLU  37  10.983  11.716  -6.842
  282    HB3  GLU  37           HB2      GLU  37  12.420  11.899  -5.809
  283    HG2  GLU  37           HG3      GLU  37  13.398   9.916  -6.718
  284    HG3  GLU  37           HG2      GLU  37  11.927   9.513  -7.580
  285    H    GLU  38           H        GLU  38   8.776  11.820  -5.237
  286    HA   GLU  38           HA       GLU  38   9.317  13.185  -2.940
  287    HB2  GLU  38           HB3      GLU  38   7.300  14.316  -3.505
  288    HB3  GLU  38           HB2      GLU  38   8.318  14.169  -4.913
  289    HG2  GLU  38           HG3      GLU  38   6.774  12.325  -5.763
  290    HG3  GLU  38           HG2      GLU  38   5.839  12.548  -4.324
  291    H    ILE  39           H        ILE  39   8.262  10.156  -3.061
  292    HA   ILE  39           HA       ILE  39   5.943  10.407  -1.393
  293    HB   ILE  39           HB       ILE  39   7.357   7.931  -2.378
  294   HG12  ILE  39          HG13      ILE  39   4.766   9.206  -3.213
  295   HG13  ILE  39          HG12      ILE  39   6.282   9.367  -4.114
  296   HG21  ILE  39          HG21      ILE  39   5.964   6.751  -1.023
  297   HG22  ILE  39          HG22      ILE  39   4.591   7.614  -1.737
  298   HG23  ILE  39          HG23      ILE  39   5.394   8.270  -0.317
  299   HD11  ILE  39          HD11      ILE  39   5.903   7.523  -5.094
  300   HD12  ILE  39          HD12      ILE  39   4.288   7.527  -4.376
  301   HD13  ILE  39          HD13      ILE  39   5.596   6.654  -3.559
  302    H    THR  40           H        THR  40   7.432  11.583   0.114
  303    HA   THR  40           HA       THR  40   8.865   9.898   1.988
  304    HB   THR  40           HB       THR  40   9.846  11.978   1.424
  305    HG1  THR  40           HG1      THR  40   8.973  11.693   4.010
  306   HG21  THR  40          HG21      THR  40   8.351  13.389   0.600
  307   HG22  THR  40          HG22      THR  40   8.393  14.093   2.233
  308   HG23  THR  40          HG23      THR  40   7.124  12.936   1.751
  309    H    THR  41           H        THR  41   5.928   9.522   1.832
  310    HA   THR  41           HA       THR  41   5.581   9.011   4.468
  311    HB   THR  41           HB       THR  41   4.928  11.112   4.908
  312    HG1  THR  41           HG1      THR  41   3.084  10.770   5.983
  313   HG21  THR  41          HG21      THR  41   2.483  11.685   3.572
  314   HG22  THR  41          HG22      THR  41   3.674  11.219   2.373
  315   HG23  THR  41          HG23      THR  41   4.009  12.568   3.453
  316    H    GLY  42           H        GLY  42   3.779   7.686   5.007
  317    HA2  GLY  42           HA3      GLY  42   3.448   5.770   2.925
  318    HA3  GLY  42           HA2      GLY  42   2.540   5.722   4.441
  319    H    SER  43           H        SER  43   0.900   8.004   4.433
  320    HA   SER  43           HA       SER  43  -1.079   7.516   2.837
  321    HB2  SER  43           HB3      SER  43  -0.038  10.114   3.948
  322    HB3  SER  43           HB2      SER  43  -1.720   9.802   3.507
  323    HG   SER  43           HG       SER  43  -1.933   8.469   5.181
  324    H    ALA  44           H        ALA  44   1.552   9.589   2.323
  325    HA   ALA  44           HA       ALA  44   0.825  11.006  -0.020
  326    HB1  ALA  44           HB1      ALA  44   3.511  10.584  -0.591
  327    HB2  ALA  44           HB2      ALA  44   3.415  10.479   1.173
  328    HB3  ALA  44           HB3      ALA  44   2.831  11.913   0.355
  329    H    TRP  45           H        TRP  45   2.495   7.952   0.168
  330    HA   TRP  45           HA       TRP  45   2.577   7.361  -2.592
  331    HB2  TRP  45           HB3      TRP  45   3.866   6.180  -0.754
  332    HB3  TRP  45           HB2      TRP  45   2.341   5.451  -0.302
  333    HD1  TRP  45           HD1      TRP  45   3.915   5.791  -3.850
  334    HE1  TRP  45           HE1      TRP  45   3.852   3.384  -4.885
  335    HE3  TRP  45           HE3      TRP  45   2.123   3.149   0.137
  336    HZ2  TRP  45           HZ2      TRP  45   3.306   0.875  -4.119
  337    HZ3  TRP  45           HZ3      TRP  45   1.928   0.738  -0.112
  338    HH2  TRP  45           HH2      TRP  45   2.529  -0.340  -2.288
  339    H    PHE  46           H        PHE  46   0.110   6.504  -0.143
  340    HA   PHE  46           HA       PHE  46  -1.305   5.046  -2.017
  341    HB2  PHE  46           HB3      PHE  46  -2.232   6.480   0.434
  342    HB3  PHE  46           HB2      PHE  46  -3.260   5.416  -0.510
  343    HD1  PHE  46           HD1      PHE  46  -2.087   3.171  -1.101
  344    HD2  PHE  46           HD2      PHE  46  -1.319   5.518   2.376
  345    HE1  PHE  46           HE1      PHE  46  -1.440   1.157   0.107
  346    HE2  PHE  46           HE2      PHE  46  -0.700   3.515   3.606
  347    HZ   PHE  46           HZ       PHE  46  -0.750   1.285   2.396
  348    H    SER  47           H        SER  47  -1.684   8.117  -0.813
  349    HA   SER  47           HA       SER  47  -3.784   9.029  -2.512
  350    HB2  SER  47           HB3      SER  47  -1.746  10.757  -1.157
  351    HB3  SER  47           HB2      SER  47  -3.284  11.333  -1.837
  352    HG   SER  47           HG       SER  47  -3.885   9.283  -0.358
  353    H    PHE  48           H        PHE  48  -0.411   9.011  -3.253
  354    HA   PHE  48           HA       PHE  48  -0.693  10.481  -5.698
  355    HB2  PHE  48           HB3      PHE  48   1.553  10.195  -4.909
  356    HB3  PHE  48           HB2      PHE  48   1.340   8.445  -4.734
  357    HD1  PHE  48           HD1      PHE  48   1.063  11.068  -7.435
  358    HD2  PHE  48           HD2      PHE  48   2.100   7.102  -6.311
  359    HE1  PHE  48           HE1      PHE  48   1.595  10.550  -9.735
  360    HE2  PHE  48           HE2      PHE  48   2.683   6.594  -8.623
  361    HZ   PHE  48           HZ       PHE  48   2.408   8.306 -10.357
  362    H    LEU  49           H        LEU  49  -0.404   7.015  -4.782
  363    HA   LEU  49           HA       LEU  49  -0.674   5.840  -7.160
  364    HB2  LEU  49           HB3      LEU  49  -0.197   5.212  -4.730
  365    HB3  LEU  49           HB2      LEU  49  -1.923   4.829  -4.698
  366    HG   LEU  49           HG       LEU  49  -1.482   3.071  -6.484
  367   HD11  LEU  49          HD11      LEU  49   0.448   3.090  -7.586
  368   HD12  LEU  49          HD12      LEU  49   1.395   3.171  -6.083
  369   HD13  LEU  49          HD13      LEU  49   0.795   4.631  -6.818
  370   HD21  LEU  49          HD21      LEU  49   0.469   2.049  -4.774
  371   HD22  LEU  49          HD22      LEU  49  -1.267   1.764  -4.672
  372   HD23  LEU  49          HD23      LEU  49  -0.506   3.075  -3.758
  373    H    GLU  50           H        GLU  50  -3.083   6.302  -4.785
  374    HA   GLU  50           HA       GLU  50  -5.562   5.653  -5.902
  375    HB2  GLU  50           HB3      GLU  50  -5.241   8.235  -4.355
  376    HB3  GLU  50           HB2      GLU  50  -6.766   7.406  -4.667
  377    HG2  GLU  50           HG3      GLU  50  -6.054   5.570  -3.264
  378    HG3  GLU  50           HG2      GLU  50  -4.496   6.368  -3.009
  379    H    SER  51           H        SER  51  -4.126   8.399  -6.057
  380    HA   SER  51           HA       SER  51  -5.771   9.970  -7.844
  381    HB2  SER  51           HB3      SER  51  -2.777  10.414  -7.713
  382    HB3  SER  51           HB2      SER  51  -3.926  11.479  -8.535
  383    HG   SER  51           HG       SER  51  -3.749  10.903  -5.762
  384    H    HIS  52           H        HIS  52  -3.429   7.579  -8.573
  385    HA   HIS  52           HA       HIS  52  -4.210   7.746 -11.402
  386    HB2  HIS  52           HB3      HIS  52  -1.682   6.571 -10.255
  387    HB3  HIS  52           HB2      HIS  52  -2.115   6.381 -11.989
  388    HD1  HIS  52           HD1      HIS  52   0.163   7.804 -12.726
  389    HD2  HIS  52           HD2      HIS  52  -2.259   9.471  -9.845
  390    HE1  HIS  52           HE1      HIS  52   1.021  10.095 -12.485
  391    H    ASN  53           H        ASN  53  -4.197   5.437 -12.478
  392    HA   ASN  53           HA       ASN  53  -6.071   3.976 -10.872
  393    HB2  ASN  53           HB3      ASN  53  -6.417   2.652 -12.967
  394    HB3  ASN  53           HB2      ASN  53  -6.691   4.375 -13.154
  395   HD21  ASN  53          HD22      ASN  53  -5.483   1.803 -14.604
  396   HD22  ASN  53          HD21      ASN  53  -4.302   2.522 -15.642
  397    H    LYS  54           H        LYS  54  -3.662   3.803  -9.703
  398    HA   LYS  54           HA       LYS  54  -2.733   1.072 -10.197
  399    HB2  LYS  54           HB3      LYS  54  -1.503   3.106  -8.329
  400    HB3  LYS  54           HB2      LYS  54  -0.952   1.476  -8.659
  401    HG2  LYS  54           HG3      LYS  54  -0.991   3.758 -10.660
  402    HG3  LYS  54           HG2      LYS  54   0.411   3.100  -9.792
  403    HD2  LYS  54           HD3      LYS  54  -1.348   1.530 -11.607
  404    HD3  LYS  54           HD2      LYS  54   0.179   2.255 -12.148
  405    HE2  LYS  54           HE3      LYS  54   1.369   0.906 -10.411
  406    HE3  LYS  54           HE2      LYS  54  -0.165   0.154  -9.968
  407    HZ1  LYS  54           HZ1      LYS  54  -0.138  -0.581 -12.500
  408    HZ2  LYS  54           HZ2      LYS  54   0.740  -1.397 -11.341
  409    HZ3  LYS  54           HZ3      LYS  54   1.536  -0.334 -12.339
  410    H    LEU  55           H        LEU  55  -4.762   2.898  -8.156
  411    HA   LEU  55           HA       LEU  55  -5.314   0.615  -6.572
  412    HB2  LEU  55           HB3      LEU  55  -3.240   1.287  -5.456
  413    HB3  LEU  55           HB2      LEU  55  -3.859   2.917  -5.216
  414    HG   LEU  55           HG       LEU  55  -5.228   0.568  -3.956
  415   HD11  LEU  55          HD11      LEU  55  -2.584   1.102  -3.461
  416   HD12  LEU  55          HD12      LEU  55  -3.661   0.533  -2.188
  417   HD13  LEU  55          HD13      LEU  55  -3.324   2.253  -2.355
  418   HD21  LEU  55          HD21      LEU  55  -5.938   2.135  -2.261
  419   HD22  LEU  55          HD22      LEU  55  -6.320   2.820  -3.842
  420   HD23  LEU  55          HD23      LEU  55  -4.921   3.401  -2.932
  421    H    ASP  56           H        ASP  56  -7.144   0.836  -7.271
  422    HA   ASP  56           HA       ASP  56  -8.932   2.989  -6.668
  423    HB2  ASP  56           HB3      ASP  56  -9.461   0.140  -7.478
  424    HB3  ASP  56           HB2      ASP  56 -10.725   1.300  -7.128
  425    H    LYS  57           H        LYS  57 -10.933   2.209  -5.604
  426    HA   LYS  57           HA       LYS  57 -10.467   1.578  -2.889
  427    HB2  LYS  57           HB3      LYS  57 -13.006   1.476  -2.783
  428    HB3  LYS  57           HB2      LYS  57 -12.292   2.999  -3.244
  429    HG2  LYS  57           HG3      LYS  57 -14.209   2.586  -4.645
  430    HG3  LYS  57           HG2      LYS  57 -12.692   2.491  -5.558
  431    HD2  LYS  57           HD3      LYS  57 -12.685   0.136  -5.360
  432    HD3  LYS  57           HD2      LYS  57 -14.213   0.143  -4.495
  433    HE2  LYS  57           HE3      LYS  57 -13.771   1.098  -7.365
  434    HE3  LYS  57           HE2      LYS  57 -14.563  -0.400  -6.924
  435    HZ1  LYS  57           HZ1      LYS  57 -15.869   1.747  -7.538
  436    HZ2  LYS  57           HZ2      LYS  57 -15.688   2.140  -5.928
  437    HZ3  LYS  57           HZ3      LYS  57 -16.493   0.691  -6.429
  438    H    ASP  58           H        ASP  58 -10.892  -0.279  -5.717
  439    HA   ASP  58           HA       ASP  58 -11.771  -2.703  -4.353
  440    HB2  ASP  58           HB3      ASP  58 -12.880  -1.903  -6.466
  441    HB3  ASP  58           HB2      ASP  58 -11.337  -2.109  -7.281
  442    H    ASN  59           H        ASN  59  -9.372  -1.325  -6.231
  443    HA   ASN  59           HA       ASN  59  -7.713  -3.721  -6.318
  444    HB2  ASN  59           HB3      ASN  59  -7.331  -1.022  -7.538
  445    HB3  ASN  59           HB2      ASN  59  -6.230  -2.392  -7.770
  446   HD21  ASN  59          HD22      ASN  59  -8.998  -0.877  -8.874
  447   HD22  ASN  59          HD21      ASN  59  -9.556  -2.155  -9.883
  448    H    LEU  60           H        LEU  60  -6.328  -4.244  -5.296
  449    HA   LEU  60           HA       LEU  60  -4.657  -2.488  -3.706
  450    HB2  LEU  60           HB3      LEU  60  -4.882  -3.956  -1.683
  451    HB3  LEU  60           HB2      LEU  60  -6.285  -3.012  -2.096
  452    HG   LEU  60           HG       LEU  60  -7.370  -5.029  -3.013
  453   HD11  LEU  60          HD11      LEU  60  -5.806  -7.071  -1.799
  454   HD12  LEU  60          HD12      LEU  60  -4.808  -6.095  -2.905
  455   HD13  LEU  60          HD13      LEU  60  -6.299  -6.835  -3.491
  456   HD21  LEU  60          HD21      LEU  60  -7.443  -4.229  -0.603
  457   HD22  LEU  60          HD22      LEU  60  -6.458  -5.651  -0.256
  458   HD23  LEU  60          HD23      LEU  60  -8.067  -5.843  -0.984
  459    H    SER  61           H        SER  61  -4.972  -5.383  -5.215
  460    HA   SER  61           HA       SER  61  -3.113  -7.098  -4.520
  461    HB2  SER  61           HB3      SER  61  -3.510  -6.460  -7.437
  462    HB3  SER  61           HB2      SER  61  -2.987  -8.012  -6.768
  463    HG   SER  61           HG       SER  61  -5.054  -8.395  -6.834
  464    H    TYR  62           H        TYR  62  -2.364  -4.400  -6.625
  465    HA   TYR  62           HA       TYR  62   0.300  -4.844  -7.012
  466    HB2  TYR  62           HB3      TYR  62  -0.645  -3.190  -8.299
  467    HB3  TYR  62           HB2      TYR  62  -1.427  -2.394  -6.943
  468    HD1  TYR  62           HD1      TYR  62   2.149  -3.377  -7.440
  469    HD2  TYR  62           HD2      TYR  62  -0.650  -0.221  -6.952
  470    HE1  TYR  62           HE1      TYR  62   4.015  -1.779  -7.233
  471    HE2  TYR  62           HE2      TYR  62   1.188   1.386  -6.867
  472    HH   TYR  62           HH       TYR  62   4.307   0.683  -7.739
  473    H    ILE  63           H        ILE  63  -1.258  -3.155  -4.332
  474    HA   ILE  63           HA       ILE  63   1.263  -2.449  -3.178
  475    HB   ILE  63           HB       ILE  63   0.111  -1.260  -1.560
  476   HG12  ILE  63          HG13      ILE  63  -2.472  -2.651  -2.255
  477   HG13  ILE  63          HG12      ILE  63  -1.470  -3.175  -0.904
  478   HG21  ILE  63          HG21      ILE  63  -0.246  -0.794  -4.067
  479   HG22  ILE  63          HG22      ILE  63  -0.994   0.180  -2.781
  480   HG23  ILE  63          HG23      ILE  63  -1.904  -1.127  -3.592
  481   HD11  ILE  63          HD11      ILE  63  -2.301  -0.374  -1.202
  482   HD12  ILE  63          HD12      ILE  63  -1.744  -1.214   0.229
  483   HD13  ILE  63          HD13      ILE  63  -3.393  -1.541  -0.416
  484    H    GLU  64           H        GLU  64  -0.987  -4.978  -3.051
  485    HA   GLU  64           HA       GLU  64  -0.334  -6.036  -0.447
  486    HB2  GLU  64           HB3      GLU  64  -2.364  -6.843  -1.665
  487    HB3  GLU  64           HB2      GLU  64  -1.311  -7.661  -2.817
  488    HG2  GLU  64           HG3      GLU  64  -0.390  -9.010  -0.965
  489    HG3  GLU  64           HG2      GLU  64  -1.523  -8.192   0.111
  490    H    HIS  65           H        HIS  65   0.707  -6.926  -3.712
  491    HA   HIS  65           HA       HIS  65   2.923  -8.559  -3.194
  492    HB2  HIS  65           HB3      HIS  65   1.898  -7.941  -5.418
  493    HB3  HIS  65           HB2      HIS  65   2.484  -6.320  -5.170
  494    HD1  HIS  65           HD1      HIS  65   4.006  -9.835  -5.565
  495    HD2  HIS  65           HD2      HIS  65   4.721  -5.819  -6.365
  496    HE1  HIS  65           HE1      HIS  65   6.181  -9.797  -6.794
  497    H    ILE  66           H        ILE  66   3.027  -5.174  -3.583
  498    HA   ILE  66           HA       ILE  66   5.577  -4.720  -2.981
  499    HB   ILE  66           HB       ILE  66   3.362  -3.004  -1.942
  500   HG12  ILE  66          HG13      ILE  66   3.259  -3.548  -4.109
  501   HG13  ILE  66          HG12      ILE  66   3.644  -1.794  -4.144
  502   HG21  ILE  66          HG21      ILE  66   6.331  -2.283  -2.169
  503   HG22  ILE  66          HG22      ILE  66   5.354  -2.238  -0.730
  504   HG23  ILE  66          HG23      ILE  66   5.049  -1.088  -2.020
  505   HD11  ILE  66          HD11      ILE  66   5.224  -2.323  -5.566
  506   HD12  ILE  66          HD12      ILE  66   4.838  -4.037  -5.371
  507   HD13  ILE  66          HD13      ILE  66   6.019  -3.250  -4.278
  508    H    PHE  67           H        PHE  67   3.009  -5.042  -0.384
  509    HA   PHE  67           HA       PHE  67   4.822  -4.718   1.510
  510    HB2  PHE  67           HB3      PHE  67   2.106  -6.016   1.529
  511    HB3  PHE  67           HB2      PHE  67   3.031  -5.591   2.958
  512    HD1  PHE  67           HD1      PHE  67   3.999  -3.068   2.705
  513    HD2  PHE  67           HD2      PHE  67   0.473  -4.595   1.014
  514    HE1  PHE  67           HE1      PHE  67   3.134  -0.783   2.517
  515    HE2  PHE  67           HE2      PHE  67  -0.429  -2.339   0.798
  516    HZ   PHE  67           HZ       PHE  67   0.884  -0.412   1.547
  517    H    GLU  68           H        GLU  68   4.018  -7.632  -0.459
  518    HA   GLU  68           HA       GLU  68   5.029  -9.436   1.514
  519    HB2  GLU  68           HB3      GLU  68   3.469 -10.172  -0.235
  520    HB3  GLU  68           HB2      GLU  68   4.651  -9.726  -1.472
  521    HG2  GLU  68           HG3      GLU  68   6.205 -11.363  -0.485
  522    HG3  GLU  68           HG2      GLU  68   4.923 -11.867   0.619
  523    H    ILE  69           H        ILE  69   6.175  -8.170  -1.575
  524    HA   ILE  69           HA       ILE  69   8.624  -9.339  -1.473
  525    HB   ILE  69           HB       ILE  69   9.353  -7.900  -3.238
  526   HG12  ILE  69          HG13      ILE  69   6.746  -6.438  -2.813
  527   HG13  ILE  69          HG12      ILE  69   8.374  -5.799  -2.545
  528   HG21  ILE  69          HG21      ILE  69   7.498  -9.821  -3.294
  529   HG22  ILE  69          HG22      ILE  69   8.093  -9.011  -4.743
  530   HG23  ILE  69          HG23      ILE  69   6.581  -8.479  -3.979
  531   HD11  ILE  69          HD11      ILE  69   6.980  -6.450  -5.054
  532   HD12  ILE  69          HD12      ILE  69   8.735  -6.518  -4.926
  533   HD13  ILE  69          HD13      ILE  69   7.899  -4.969  -4.621
  534    H    SER  70           H        SER  70   7.784  -6.221  -0.237
  535    HA   SER  70           HA       SER  70  10.520  -5.782   0.519
  536    HB2  SER  70           HB3      SER  70   9.223  -3.823  -0.163
  537    HB3  SER  70           HB2      SER  70   8.041  -4.162   1.109
  538    HG   SER  70           HG       SER  70   9.258  -3.050   2.352
  539    H    ARG  71           H        ARG  71  11.192  -5.924   2.629
  540    HA   ARG  71           HA       ARG  71   9.935  -7.942   4.054
  541    HB2  ARG  71           HB3      ARG  71  12.418  -6.402   4.812
  542    HB3  ARG  71           HB2      ARG  71  11.850  -7.878   5.593
  543    HG2  ARG  71           HG3      ARG  71  12.524  -7.588   2.716
  544    HG3  ARG  71           HG2      ARG  71  13.610  -8.320   3.929
  545    HD2  ARG  71           HD3      ARG  71  11.896 -10.073   4.253
  546    HD3  ARG  71           HD2      ARG  71  10.868  -9.293   3.056
  547    HE   ARG  71           HE       ARG  71  13.426  -9.914   1.981
  548   HH11  ARG  71          HH11      ARG  71  10.224 -11.296   2.608
  549   HH12  ARG  71          HH12      ARG  71  10.421 -12.639   1.584
  550   HH21  ARG  71          HH22      ARG  71  13.746 -11.833   0.589
  551   HH22  ARG  71          HH21      ARG  71  12.499 -12.962   0.473
  552    H    ARG  72           H        ARG  72   8.083  -6.599   4.269
  553    HA   ARG  72           HA       ARG  72   7.682  -5.487   6.936
  554    HB2  ARG  72           HB3      ARG  72   7.190  -4.086   4.354
  555    HB3  ARG  72           HB2      ARG  72   6.109  -3.791   5.695
  556    HG2  ARG  72           HG3      ARG  72   9.047  -3.510   5.928
  557    HG3  ARG  72           HG2      ARG  72   8.050  -2.154   5.335
  558    HD2  ARG  72           HD3      ARG  72   8.431  -1.834   7.712
  559    HD3  ARG  72           HD2      ARG  72   6.761  -2.333   7.451
  560    HE   ARG  72           HE       ARG  72   7.139  -4.097   8.828
  561   HH11  ARG  72          HH11      ARG  72  10.334  -2.787   8.023
  562   HH12  ARG  72          HH12      ARG  72  11.167  -4.092   8.741
  563   HH21  ARG  72          HH22      ARG  72   8.186  -5.723   9.840
  564   HH22  ARG  72          HH21      ARG  72   9.905  -5.853   9.855
  565    HA   PRO  73           HA       PRO  73   4.505  -8.653   5.279
  566    HB2  PRO  73           HB2      PRO  73   4.734 -10.347   7.391
  567    HB3  PRO  73           HB3      PRO  73   5.716 -10.467   5.914
  568    HG2  PRO  73           HG3      PRO  73   6.315  -9.108   8.491
  569    HG3  PRO  73           HG2      PRO  73   7.348 -10.289   7.596
  570    HD2  PRO  73           HD3      PRO  73   7.826  -7.718   7.456
  571    HD3  PRO  73           HD2      PRO  73   7.870  -8.702   5.972
  572    H    ASP  74           H        ASP  74   5.021  -6.696   7.987
  573    HA   ASP  74           HA       ASP  74   2.848  -7.369   9.710
  574    HB2  ASP  74           HB3      ASP  74   4.179  -4.685   9.252
  575    HB3  ASP  74           HB2      ASP  74   3.336  -5.215  10.706
  576    H    LEU  75           H        LEU  75   3.477  -5.063   7.432
  577    HA   LEU  75           HA       LEU  75   0.931  -3.804   7.241
  578    HB2  LEU  75           HB3      LEU  75   3.162  -3.724   5.195
  579    HB3  LEU  75           HB2      LEU  75   1.721  -2.753   5.108
  580    HG   LEU  75           HG       LEU  75   2.457  -1.524   7.215
  581   HD11  LEU  75          HD11      LEU  75   3.818  -3.402   8.167
  582   HD12  LEU  75          HD12      LEU  75   4.541  -1.804   8.184
  583   HD13  LEU  75          HD13      LEU  75   5.059  -2.974   6.984
  584   HD21  LEU  75          HD21      LEU  75   4.677  -1.532   5.230
  585   HD22  LEU  75          HD22      LEU  75   3.955  -0.193   6.113
  586   HD23  LEU  75          HD23      LEU  75   3.068  -0.973   4.795
  587    H    LEU  76           H        LEU  76   2.484  -6.012   5.232
  588    HA   LEU  76           HA       LEU  76   0.648  -6.755   3.166
  589    HB2  LEU  76           HB3      LEU  76   2.801  -8.077   3.600
  590    HB3  LEU  76           HB2      LEU  76   1.847  -8.937   4.829
  591    HG   LEU  76           HG       LEU  76   0.214  -9.346   2.967
  592   HD11  LEU  76          HD11      LEU  76   0.544  -8.508   1.113
  593   HD12  LEU  76          HD12      LEU  76   1.590  -9.867   0.829
  594   HD13  LEU  76          HD13      LEU  76   2.288  -8.328   1.355
  595   HD21  LEU  76          HD21      LEU  76   2.348 -10.852   4.017
  596   HD22  LEU  76          HD22      LEU  76   2.164 -11.289   2.309
  597   HD23  LEU  76          HD23      LEU  76   0.780 -11.392   3.421
  598    H    THR  77           H        THR  77   0.889  -8.179   6.151
  599    HA   THR  77           HA       THR  77  -1.213  -9.846   6.441
  600    HB   THR  77           HB       THR  77   0.008  -8.095   8.480
  601    HG1  THR  77           HG1      THR  77   1.512  -9.513   7.869
  602   HG21  THR  77          HG21      THR  77  -2.068 -10.096   8.661
  603   HG22  THR  77          HG22      THR  77  -1.812  -8.599   9.583
  604   HG23  THR  77          HG23      THR  77  -0.846 -10.086   9.980
  605    H    MET  78           H        MET  78  -1.199  -6.483   7.161
  606    HA   MET  78           HA       MET  78  -3.929  -6.338   7.924
  607    HB2  MET  78           HB3      MET  78  -2.123  -4.115   6.997
  608    HB3  MET  78           HB2      MET  78  -3.797  -3.860   7.440
  609    HG2  MET  78           HG3      MET  78  -1.776  -5.139   9.253
  610    HG3  MET  78           HG2      MET  78  -2.195  -3.405   9.322
  611    HE1  MET  78           HE1      MET  78  -2.149  -4.901  11.790
  612    HE2  MET  78           HE2      MET  78  -3.738  -5.000  12.565
  613    HE3  MET  78           HE3      MET  78  -3.129  -3.451  11.974
  614    H    VAL  79           H        VAL  79  -2.421  -6.158   4.722
  615    HA   VAL  79           HA       VAL  79  -4.798  -5.353   3.361
  616    HB   VAL  79           HB       VAL  79  -2.425  -6.894   2.311
  617   HG11  VAL  79          HG11      VAL  79  -4.300  -5.050   0.836
  618   HG12  VAL  79          HG12      VAL  79  -4.330  -6.815   0.793
  619   HG13  VAL  79          HG13      VAL  79  -2.934  -5.940   0.155
  620   HG21  VAL  79          HG21      VAL  79  -2.105  -4.158   1.679
  621   HG22  VAL  79          HG22      VAL  79  -1.135  -5.174   2.764
  622   HG23  VAL  79          HG23      VAL  79  -2.499  -4.271   3.397
  623    H    VAL  80           H        VAL  80  -3.087  -8.428   3.783
  624    HA   VAL  80           HA       VAL  80  -4.894 -10.264   2.593
  625    HB   VAL  80           HB       VAL  80  -3.119 -10.655   5.070
  626   HG11  VAL  80          HG11      VAL  80  -4.585 -12.571   3.344
  627   HG12  VAL  80          HG12      VAL  80  -4.472 -12.462   5.100
  628   HG13  VAL  80          HG13      VAL  80  -3.099 -13.063   4.177
  629   HG21  VAL  80          HG21      VAL  80  -1.371 -10.372   3.692
  630   HG22  VAL  80          HG22      VAL  80  -2.417 -10.283   2.282
  631   HG23  VAL  80          HG23      VAL  80  -1.864 -11.848   2.885
  632    H    ASP  81           H        ASP  81  -4.597  -9.439   5.732
  633    HA   ASP  81           HA       ASP  81  -6.866 -10.677   6.825
  634    HB2  ASP  81           HB3      ASP  81  -5.158  -9.893   8.343
  635    HB3  ASP  81           HB2      ASP  81  -5.578  -8.221   8.026
  636    H    TYR  82           H        TYR  82  -6.560  -7.442   5.656
  637    HA   TYR  82           HA       TYR  82  -9.108  -6.288   6.117
  638    HB2  TYR  82           HB3      TYR  82  -7.394  -4.958   5.192
  639    HB3  TYR  82           HB2      TYR  82  -7.267  -5.985   3.757
  640    HD1  TYR  82           HD2      TYR  82  -9.697  -3.860   5.605
  641    HD2  TYR  82           HD1      TYR  82  -8.364  -5.437   1.925
  642    HE1  TYR  82           HE2      TYR  82 -11.316  -2.476   4.443
  643    HE2  TYR  82           HE1      TYR  82  -9.981  -4.095   0.726
  644    HH   TYR  82           HH       TYR  82 -11.704  -2.678   0.917
  645    H    ARG  83           H        ARG  83  -7.962  -8.036   3.325
  646    HA   ARG  83           HA       ARG  83 -10.330  -8.081   1.875
  647    HB2  ARG  83           HB3      ARG  83  -8.461  -8.507   0.631
  648    HB3  ARG  83           HB2      ARG  83  -7.733  -9.543   1.835
  649    HG2  ARG  83           HG3      ARG  83 -10.111 -10.383   0.288
  650    HG3  ARG  83           HG2      ARG  83  -8.485 -10.518  -0.436
  651    HD2  ARG  83           HD3      ARG  83  -7.843 -11.840   1.545
  652    HD3  ARG  83           HD2      ARG  83  -9.499 -11.772   2.125
  653    HE   ARG  83           HE       ARG  83  -9.488 -12.710  -0.510
  654   HH11  ARG  83          HH11      ARG  83  -8.732 -13.821   2.799
  655   HH12  ARG  83          HH12      ARG  83  -8.887 -15.472   2.411
  656   HH21  ARG  83          HH22      ARG  83  -9.670 -14.946  -1.024
  657   HH22  ARG  83          HH21      ARG  83  -9.462 -16.155   0.134
  658    H    THR  84           H        THR  84  -9.131 -10.234   3.993
  659    HA   THR  84           HA       THR  84 -11.196 -12.192   4.005
  660    HB   THR  84           HB       THR  84  -9.267 -11.373   6.078
  661    HG1  THR  84           HG1      THR  84  -7.932 -12.174   4.688
  662   HG21  THR  84          HG21      THR  84  -9.654 -13.914   6.645
  663   HG22  THR  84          HG22      THR  84 -11.220 -13.492   5.872
  664   HG23  THR  84          HG23      THR  84 -10.613 -12.510   7.243
  665    H    ARG  85           H        ARG  85 -10.491 -10.127   6.390
  666    HA   ARG  85           HA       ARG  85 -12.601 -10.209   8.052
  667    HB2  ARG  85           HB3      ARG  85 -12.141  -8.049   9.196
  668    HB3  ARG  85           HB2      ARG  85 -10.647  -8.891   8.820
  669    HG2  ARG  85           HG3      ARG  85 -10.332  -7.444   6.867
  670    HG3  ARG  85           HG2      ARG  85 -11.837  -6.638   7.211
  671    HD2  ARG  85           HD3      ARG  85 -10.116  -5.276   7.974
  672    HD3  ARG  85           HD2      ARG  85 -10.943  -6.080   9.341
  673    HE   ARG  85           HE       ARG  85  -8.778  -7.655   8.975
  674   HH11  ARG  85          HH11      ARG  85  -9.115  -4.120   9.355
  675   HH12  ARG  85          HH12      ARG  85  -7.670  -3.909  10.229
  676   HH21  ARG  85          HH22      ARG  85  -6.789  -7.346  10.303
  677   HH22  ARG  85          HH21      ARG  85  -6.298  -5.785  10.738
  678    H    VAL  86           H        VAL  86 -12.318  -7.881   5.789
  679    HA   VAL  86           HA       VAL  86 -14.929  -6.735   5.890
  680    HB   VAL  86           HB       VAL  86 -12.993  -6.685   3.594
  681   HG11  VAL  86          HG11      VAL  86 -14.393  -4.548   2.951
  682   HG12  VAL  86          HG12      VAL  86 -15.643  -5.219   3.996
  683   HG13  VAL  86          HG13      VAL  86 -15.120  -6.110   2.572
  684   HG21  VAL  86          HG21      VAL  86 -13.352  -5.207   6.068
  685   HG22  VAL  86          HG22      VAL  86 -13.164  -4.156   4.664
  686   HG23  VAL  86          HG23      VAL  86 -11.932  -5.361   5.035
  687    H    LEU  87           H        LEU  87 -13.699  -9.385   4.138
  688    HA   LEU  87           HA       LEU  87 -15.860 -10.126   2.457
  689    HB2  LEU  87           HB3      LEU  87 -13.498 -10.934   2.511
  690    HB3  LEU  87           HB2      LEU  87 -13.806 -11.676   4.048
  691    HG   LEU  87           HG       LEU  87 -13.551 -13.320   2.386
  692   HD11  LEU  87          HD11      LEU  87 -15.243 -13.649   4.081
  693   HD12  LEU  87          HD12      LEU  87 -15.355 -14.689   2.650
  694   HD13  LEU  87          HD13      LEU  87 -16.483 -13.324   2.849
  695   HD21  LEU  87          HD21      LEU  87 -14.091 -11.780   0.541
  696   HD22  LEU  87          HD22      LEU  87 -15.802 -12.185   0.759
  697   HD23  LEU  87          HD23      LEU  87 -14.627 -13.451   0.332
  698    H    LYS  88           H        LYS  88 -14.887 -10.949   5.715
  699    HA   LYS  88           HA       LYS  88 -17.243 -12.339   6.425
  700    HB2  LYS  88           HB3      LYS  88 -15.073 -11.300   8.176
  701    HB3  LYS  88           HB2      LYS  88 -16.474 -12.167   8.804
  702    HG2  LYS  88           HG3      LYS  88 -14.464 -13.128   6.827
  703    HG3  LYS  88           HG2      LYS  88 -14.602 -13.654   8.517
  704    HD2  LYS  88           HD3      LYS  88 -16.952 -14.399   7.989
  705    HD3  LYS  88           HD2      LYS  88 -16.610 -14.080   6.285
  706    HE2  LYS  88           HE3      LYS  88 -16.358 -16.439   6.700
  707    HE3  LYS  88           HE2      LYS  88 -14.767 -15.742   6.424
  708    HZ1  LYS  88           HZ1      LYS  88 -14.486 -15.655   8.889
  709    HZ2  LYS  88           HZ2      LYS  88 -14.764 -17.254   8.356
  710    HZ3  LYS  88           HZ3      LYS  88 -15.996 -16.335   9.028
  711    H    ILE  89           H        ILE  89 -16.474  -8.927   6.918
  712    HA   ILE  89           HA       ILE  89 -18.493  -8.499   8.733
  713    HB   ILE  89           HB       ILE  89 -16.736  -6.963   6.946
  714   HG12  ILE  89          HG13      ILE  89 -16.779  -7.169   9.960
  715   HG13  ILE  89          HG12      ILE  89 -15.626  -7.862   8.829
  716   HG21  ILE  89          HG21      ILE  89 -17.471  -4.865   7.546
  717   HG22  ILE  89          HG22      ILE  89 -18.499  -5.461   8.866
  718   HG23  ILE  89          HG23      ILE  89 -18.908  -5.809   7.162
  719   HD11  ILE  89          HD11      ILE  89 -14.367  -6.102   9.326
  720   HD12  ILE  89          HD12      ILE  89 -15.738  -5.197   9.981
  721   HD13  ILE  89          HD13      ILE  89 -15.456  -5.222   8.236
  722    H    SER  90           H        SER  90 -18.175  -8.064   5.228
  723    HA   SER  90           HA       SER  90 -20.900  -7.120   5.092
  724    HB2  SER  90           HB3      SER  90 -18.804  -7.511   2.960
  725    HB3  SER  90           HB2      SER  90 -20.414  -6.791   2.713
  726    HG   SER  90           HG       SER  90 -19.238  -5.622   4.775
  Start of MODEL    9
    1    H1   MET   1           H        MET   1 -16.368   1.347   1.572
    2    H2   MET   1           H2       MET   1 -15.177   0.198   1.880
    3    H3   MET   1           H3       MET   1 -15.527   1.315   3.041
    4    HA   MET   1           HA       MET   1 -13.751   1.519   0.782
    5    HB2  MET   1           HB3      MET   1 -15.718   2.682  -0.201
    6    HB3  MET   1           HB2      MET   1 -15.797   3.744   1.201
    7    HG2  MET   1           HG3      MET   1 -13.537   3.650  -0.819
    8    HG3  MET   1           HG2      MET   1 -14.886   4.782  -0.866
    9    HE1  MET   1           HE1      MET   1 -14.222   6.577   2.631
   10    HE2  MET   1           HE2      MET   1 -15.447   5.643   1.777
   11    HE3  MET   1           HE3      MET   1 -14.829   7.137   1.077
   12    H    ALA   2           H        ALA   2 -15.194   3.184   3.313
   13    HA   ALA   2           HA       ALA   2 -12.938   4.619   4.291
   14    HB1  ALA   2           HB1      ALA   2 -14.247   4.219   6.691
   15    HB2  ALA   2           HB2      ALA   2 -15.546   3.968   5.522
   16    HB3  ALA   2           HB3      ALA   2 -14.662   5.494   5.550
   17    H    GLU   3           H        GLU   3 -14.083   1.533   5.493
   18    HA   GLU   3           HA       GLU   3 -12.372   0.725   7.206
   19    HB2  GLU   3           HB3      GLU   3 -12.830  -1.050   4.800
   20    HB3  GLU   3           HB2      GLU   3 -12.582  -1.578   6.438
   21    HG2  GLU   3           HG3      GLU   3 -14.852  -2.013   5.950
   22    HG3  GLU   3           HG2      GLU   3 -14.858  -0.551   6.938
   23    H    TYR   4           H        TYR   4 -12.049   0.545   4.047
   24    HA   TYR   4           HA       TYR   4  -9.407  -0.449   3.563
   25    HB2  TYR   4           HB3      TYR   4 -10.919  -0.326   1.648
   26    HB3  TYR   4           HB2      TYR   4 -10.675   1.435   1.516
   27    HD1  TYR   4           HD1      TYR   4  -8.596  -1.612   1.841
   28    HD2  TYR   4           HD2      TYR   4  -9.328   1.930  -0.383
   29    HE1  TYR   4           HE1      TYR   4  -6.791  -2.236   0.309
   30    HE2  TYR   4           HE2      TYR   4  -7.496   1.326  -1.926
   31    HH   TYR   4           HH       TYR   4  -6.384  -1.101  -2.601
   32    H    GLY   5           H        GLY   5 -10.694   2.676   3.567
   33    HA2  GLY   5           HA3      GLY   5  -8.461   4.442   3.325
   34    HA3  GLY   5           HA2      GLY   5  -9.868   4.891   4.277
   35    H    THR   6           H        THR   6  -9.766   3.049   6.447
   36    HA   THR   6           HA       THR   6  -7.619   4.007   8.008
   37    HB   THR   6           HB       THR   6  -9.487   1.681   8.402
   38    HG1  THR   6           HG1      THR   6  -9.960   4.313   8.193
   39   HG21  THR   6          HG21      THR   6  -7.645   1.792   9.907
   40   HG22  THR   6          HG22      THR   6  -9.135   2.199  10.783
   41   HG23  THR   6          HG23      THR   6  -8.011   3.485  10.269
   42    H    LEU   7           H        LEU   7  -8.356   1.012   6.522
   43    HA   LEU   7           HA       LEU   7  -6.171  -0.626   7.092
   44    HB2  LEU   7           HB3      LEU   7  -7.911  -1.429   5.774
   45    HB3  LEU   7           HB2      LEU   7  -7.560  -0.306   4.491
   46    HG   LEU   7           HG       LEU   7  -7.116  -2.672   4.273
   47   HD11  LEU   7          HD11      LEU   7  -5.143  -2.279   2.763
   48   HD12  LEU   7          HD12      LEU   7  -4.875  -0.745   3.615
   49   HD13  LEU   7          HD13      LEU   7  -6.363  -1.003   2.698
   50   HD21  LEU   7          HD21      LEU   7  -4.383  -2.331   5.369
   51   HD22  LEU   7          HD22      LEU   7  -5.361  -3.795   5.208
   52   HD23  LEU   7          HD23      LEU   7  -5.715  -2.631   6.492
   53    H    LEU   8           H        LEU   8  -6.199   1.458   4.523
   54    HA   LEU   8           HA       LEU   8  -3.428   1.485   3.777
   55    HB2  LEU   8           HB3      LEU   8  -5.315   3.811   3.484
   56    HB3  LEU   8           HB2      LEU   8  -3.608   3.859   3.045
   57    HG   LEU   8           HG       LEU   8  -3.896   2.349   1.240
   58   HD11  LEU   8          HD11      LEU   8  -5.630   0.921   2.543
   59   HD12  LEU   8          HD12      LEU   8  -5.711   1.014   0.791
   60   HD13  LEU   8          HD13      LEU   8  -6.802   1.986   1.772
   61   HD21  LEU   8          HD21      LEU   8  -5.514   4.697   1.459
   62   HD22  LEU   8          HD22      LEU   8  -6.260   3.531   0.360
   63   HD23  LEU   8          HD23      LEU   8  -4.594   4.075   0.089
   64    H    GLN   9           H        GLN   9  -5.089   3.316   6.099
   65    HA   GLN   9           HA       GLN   9  -2.954   4.897   7.065
   66    HB2  GLN   9           HB3      GLN   9  -4.992   5.928   7.097
   67    HB3  GLN   9           HB2      GLN   9  -5.799   4.470   7.647
   68    HG2  GLN   9           HG3      GLN   9  -5.361   4.718   9.609
   69    HG3  GLN   9           HG2      GLN   9  -3.888   5.761   9.519
   70   HE21  GLN   9          HE22      GLN   9  -4.280   7.876   9.660
   71   HE22  GLN   9          HE21      GLN   9  -5.832   8.631   9.844
   72    H    ASP  10           H        ASP  10  -4.055   2.025   7.736
   73    HA   ASP  10           HA       ASP  10  -3.049   1.692  10.466
   74    HB2  ASP  10           HB3      ASP  10  -4.396  -0.435   8.825
   75    HB3  ASP  10           HB2      ASP  10  -3.468  -0.823  10.271
   76    H    LEU  11           H        LEU  11  -2.080   0.758   7.250
   77    HA   LEU  11           HA       LEU  11   0.255  -0.445   8.314
   78    HB2  LEU  11           HB3      LEU  11   0.881  -0.917   6.056
   79    HB3  LEU  11           HB2      LEU  11  -0.721  -1.572   6.429
   80    HG   LEU  11           HG       LEU  11  -1.471   0.605   5.232
   81   HD11  LEU  11          HD11      LEU  11   1.273   0.829   5.096
   82   HD12  LEU  11          HD12      LEU  11   0.059   1.851   4.311
   83   HD13  LEU  11          HD13      LEU  11   0.746   0.469   3.453
   84   HD21  LEU  11          HD21      LEU  11  -2.042  -0.744   3.516
   85   HD22  LEU  11          HD22      LEU  11  -1.345  -2.019   4.515
   86   HD23  LEU  11          HD23      LEU  11  -0.393  -1.254   3.227
   87    H    THR  12           H        THR  12  -0.839   2.378   7.106
   88    HA   THR  12           HA       THR  12   1.551   3.885   6.663
   89    HB   THR  12           HB       THR  12  -1.315   4.623   7.109
   90    HG1  THR  12           HG1      THR  12  -1.031   3.881   5.152
   91   HG21  THR  12          HG21      THR  12  -0.122   6.701   5.924
   92   HG22  THR  12          HG22      THR  12   0.949   6.332   7.316
   93   HG23  THR  12          HG23      THR  12  -0.802   6.615   7.601
   94    H    ASN  13           H        ASN  13  -0.416   3.249   9.498
   95    HA   ASN  13           HA       ASN  13   0.946   5.016  11.308
   96    HB2  ASN  13           HB3      ASN  13  -0.534   2.447  11.983
   97    HB3  ASN  13           HB2      ASN  13   0.109   3.534  13.196
   98   HD21  ASN  13          HD22      ASN  13  -2.651   2.546  12.018
   99   HD22  ASN  13          HD21      ASN  13  -3.582   3.988  12.025
  100    H    ASN  14           H        ASN  14   1.553   1.828  10.174
  101    HA   ASN  14           HA       ASN  14   3.858   1.505  11.944
  102    HB2  ASN  14           HB3      ASN  14   2.696  -0.411   9.879
  103    HB3  ASN  14           HB2      ASN  14   4.072  -0.766  10.885
  104   HD21  ASN  14          HD22      ASN  14   0.806  -1.082  10.641
  105   HD22  ASN  14          HD21      ASN  14   0.455  -1.423  12.295
  106    H    ILE  15           H        ILE  15   3.221   2.824   8.984
  107    HA   ILE  15           HA       ILE  15   5.612   2.119   7.686
  108    HB   ILE  15           HB       ILE  15   3.317   3.896   7.008
  109   HG12  ILE  15          HG13      ILE  15   3.398   1.534   6.464
  110   HG13  ILE  15          HG12      ILE  15   3.240   2.548   5.016
  111   HG21  ILE  15          HG21      ILE  15   4.274   5.287   5.585
  112   HG22  ILE  15          HG22      ILE  15   5.234   3.992   4.882
  113   HG23  ILE  15          HG23      ILE  15   5.837   4.846   6.309
  114   HD11  ILE  15          HD11      ILE  15   4.977   0.561   5.110
  115   HD12  ILE  15          HD12      ILE  15   5.977   1.794   5.904
  116   HD13  ILE  15          HD13      ILE  15   5.333   2.093   4.300
  117    H    THR  16           H        THR  16   7.556   2.919   8.217
  118    HA   THR  16           HA       THR  16   7.856   5.599   9.212
  119    HB   THR  16           HB       THR  16  10.154   5.058   9.485
  120    HG1  THR  16           HG1      THR  16  10.235   2.419   8.807
  121   HG21  THR  16          HG21      THR  16  10.089   3.499  11.113
  122   HG22  THR  16          HG22      THR  16   8.827   2.575  10.253
  123   HG23  THR  16          HG23      THR  16   8.427   4.163  11.004
  124    H    LEU  17           H        LEU  17   9.197   6.716   8.141
  125    HA   LEU  17           HA       LEU  17   9.003   7.065   5.347
  126    HB2  LEU  17           HB3      LEU  17  11.138   8.066   7.123
  127    HB3  LEU  17           HB2      LEU  17  11.351   8.162   5.382
  128    HG   LEU  17           HG       LEU  17  10.466  10.184   6.236
  129   HD11  LEU  17          HD11      LEU  17   9.331   8.638   4.169
  130   HD12  LEU  17          HD12      LEU  17   9.495  10.385   4.273
  131   HD13  LEU  17          HD13      LEU  17   8.054   9.604   4.893
  132   HD21  LEU  17          HD21      LEU  17   7.771   9.624   6.844
  133   HD22  LEU  17          HD22      LEU  17   9.007  10.216   7.951
  134   HD23  LEU  17          HD23      LEU  17   8.727   8.483   7.785
  135    H    GLU  18           H        GLU  18  11.572   5.467   7.073
  136    HA   GLU  18           HA       GLU  18  12.911   4.509   4.770
  137    HB2  GLU  18           HB3      GLU  18  13.070   3.400   7.584
  138    HB3  GLU  18           HB2      GLU  18  14.159   2.986   6.258
  139    HG2  GLU  18           HG3      GLU  18  14.879   5.309   6.077
  140    HG3  GLU  18           HG2      GLU  18  13.777   5.778   7.350
  141    H    ASP  19           H        ASP  19  10.700   2.811   6.819
  142    HA   ASP  19           HA       ASP  19  10.524   0.329   5.381
  143    HB2  ASP  19           HB3      ASP  19   8.211   1.712   6.840
  144    HB3  ASP  19           HB2      ASP  19   8.180   0.026   6.304
  145    H    LEU  20           H        LEU  20   8.337   3.086   4.993
  146    HA   LEU  20           HA       LEU  20   7.172   2.299   2.662
  147    HB2  LEU  20           HB3      LEU  20   6.816   4.541   3.940
  148    HB3  LEU  20           HB2      LEU  20   8.139   5.045   2.864
  149    HG   LEU  20           HG       LEU  20   6.964   4.486   0.946
  150   HD11  LEU  20          HD11      LEU  20   5.494   2.702   1.753
  151   HD12  LEU  20          HD12      LEU  20   4.545   3.975   0.975
  152   HD13  LEU  20          HD13      LEU  20   4.621   3.871   2.735
  153   HD21  LEU  20          HD21      LEU  20   5.341   6.320   1.039
  154   HD22  LEU  20          HD22      LEU  20   6.880   6.740   1.783
  155   HD23  LEU  20          HD23      LEU  20   5.501   6.334   2.799
  156    H    GLU  21           H        GLU  21  10.218   3.902   2.996
  157    HA   GLU  21           HA       GLU  21  10.798   4.166   0.233
  158    HB2  GLU  21           HB3      GLU  21  12.748   3.921   2.524
  159    HB3  GLU  21           HB2      GLU  21  13.251   4.253   0.875
  160    HG2  GLU  21           HG3      GLU  21  11.974   6.310   0.892
  161    HG3  GLU  21           HG2      GLU  21  11.452   5.981   2.548
  162    H    GLN  22           H        GLN  22  11.207   1.736   2.371
  163    HA   GLN  22           HA       GLN  22  12.562  -0.120   0.630
  164    HB2  GLN  22           HB3      GLN  22  12.608  -0.441   3.097
  165    HB3  GLN  22           HB2      GLN  22  10.892  -0.829   3.038
  166    HG2  GLN  22           HG3      GLN  22  12.108  -2.915   3.070
  167    HG3  GLN  22           HG2      GLN  22  11.354  -2.557   1.503
  168   HE21  GLN  22          HE22      GLN  22  12.286  -3.142   0.055
  169   HE22  GLN  22          HE21      GLN  22  13.990  -3.166  -0.328
  170    H    LEU  23           H        LEU  23   9.042   0.278   1.375
  171    HA   LEU  23           HA       LEU  23   8.146  -1.623  -0.418
  172    HB2  LEU  23           HB3      LEU  23   7.015   1.042   0.424
  173    HB3  LEU  23           HB2      LEU  23   6.110  -0.214  -0.403
  174    HG   LEU  23           HG       LEU  23   7.345  -0.434   2.312
  175   HD11  LEU  23          HD11      LEU  23   5.506   1.122   2.267
  176   HD12  LEU  23          HD12      LEU  23   5.012  -0.360   3.091
  177   HD13  LEU  23          HD13      LEU  23   4.503  -0.052   1.422
  178   HD21  LEU  23          HD21      LEU  23   6.623  -2.429   0.542
  179   HD22  LEU  23          HD22      LEU  23   5.269  -2.314   1.665
  180   HD23  LEU  23          HD23      LEU  23   6.905  -2.592   2.274
  181    H    LYS  24           H        LYS  24   8.920   1.613  -0.657
  182    HA   LYS  24           HA       LYS  24   8.314   2.109  -3.405
  183    HB2  LYS  24           HB3      LYS  24  10.417   3.646  -1.800
  184    HB3  LYS  24           HB2      LYS  24   9.746   4.162  -3.340
  185    HG2  LYS  24           HG3      LYS  24   7.439   4.255  -2.197
  186    HG3  LYS  24           HG2      LYS  24   8.282   3.981  -0.678
  187    HD2  LYS  24           HD3      LYS  24   8.751   6.336  -2.490
  188    HD3  LYS  24           HD2      LYS  24   7.770   6.323  -1.035
  189    HE2  LYS  24           HE3      LYS  24   9.752   5.758   0.282
  190    HE3  LYS  24           HE2      LYS  24  10.732   5.796  -1.180
  191    HZ1  LYS  24           HZ1      LYS  24  10.017   8.150  -1.452
  192    HZ2  LYS  24           HZ2      LYS  24  10.956   7.886  -0.067
  193    HZ3  LYS  24           HZ3      LYS  24   9.269   8.078   0.052
  194    H    SER  25           H        SER  25  10.964   1.273  -1.997
  195    HA   SER  25           HA       SER  25  12.983   0.711  -3.980
  196    HB2  SER  25           HB3      SER  25  12.735  -1.054  -1.477
  197    HB3  SER  25           HB2      SER  25  14.132  -1.066  -2.561
  198    HG   SER  25           HG       SER  25  13.181   1.205  -1.136
  199    H    ALA  26           H        ALA  26  10.773  -1.312  -2.700
  200    HA   ALA  26           HA       ALA  26  10.878  -3.496  -4.613
  201    HB1  ALA  26           HB1      ALA  26   9.348  -3.014  -2.314
  202    HB2  ALA  26           HB2      ALA  26   9.306  -4.456  -3.333
  203    HB3  ALA  26           HB3      ALA  26   8.194  -3.122  -3.649
  204    H    CYS  27           H        CYS  27   8.781  -0.598  -4.395
  205    HA   CYS  27           HA       CYS  27   7.505  -1.098  -6.811
  206    HB2  CYS  27           HB3      CYS  27   7.722   1.486  -5.349
  207    HB3  CYS  27           HB2      CYS  27   6.603   0.961  -6.618
  208    HG   CYS  27           HG       CYS  27   6.795  -0.395  -3.514
  209    H    LYS  28           H        LYS  28  10.672  -0.054  -6.539
  210    HA   LYS  28           HA       LYS  28  10.923   2.315  -7.924
  211    HB2  LYS  28           HB3      LYS  28  12.705  -0.117  -8.101
  212    HB3  LYS  28           HB2      LYS  28  13.154   1.465  -8.750
  213    HG2  LYS  28           HG3      LYS  28  13.170   2.389  -6.540
  214    HG3  LYS  28           HG2      LYS  28  12.538   0.886  -5.863
  215    HD2  LYS  28           HD3      LYS  28  14.977   1.063  -5.497
  216    HD3  LYS  28           HD2      LYS  28  14.569  -0.298  -6.522
  217    HE2  LYS  28           HE3      LYS  28  16.542   0.846  -7.374
  218    HE3  LYS  28           HE2      LYS  28  15.210   1.008  -8.509
  219    HZ1  LYS  28           HZ1      LYS  28  15.229   3.184  -6.706
  220    HZ2  LYS  28           HZ2      LYS  28  15.414   3.205  -8.389
  221    HZ3  LYS  28           HZ3      LYS  28  16.748   3.016  -7.370
  222    H    GLU  29           H        GLU  29  10.554  -0.833  -9.198
  223    HA   GLU  29           HA       GLU  29  10.844  -0.090 -11.874
  224    HB2  GLU  29           HB3      GLU  29   9.833  -2.614 -10.584
  225    HB3  GLU  29           HB2      GLU  29  10.293  -2.449 -12.297
  226    HG2  GLU  29           HG3      GLU  29  12.564  -1.783 -11.615
  227    HG3  GLU  29           HG2      GLU  29  12.112  -1.952  -9.932
  228    H    ASP  30           H        ASP  30   8.015  -0.546  -9.791
  229    HA   ASP  30           HA       ASP  30   6.280  -0.191 -12.068
  230    HB2  ASP  30           HB3      ASP  30   5.612  -0.801  -9.220
  231    HB3  ASP  30           HB2      ASP  30   4.387  -0.452 -10.422
  232    H    ILE  31           H        ILE  31   6.966   1.664  -9.139
  233    HA   ILE  31           HA       ILE  31   5.153   3.709 -10.150
  234    HB   ILE  31           HB       ILE  31   4.965   2.810  -7.722
  235   HG12  ILE  31          HG13      ILE  31   4.039   5.080  -8.366
  236   HG13  ILE  31          HG12      ILE  31   4.411   4.877  -6.655
  237   HG21  ILE  31          HG21      ILE  31   7.182   4.564  -6.946
  238   HG22  ILE  31          HG22      ILE  31   7.507   2.900  -7.498
  239   HG23  ILE  31          HG23      ILE  31   6.421   3.201  -6.119
  240   HD11  ILE  31          HD11      ILE  31   5.145   7.040  -8.169
  241   HD12  ILE  31          HD12      ILE  31   6.557   5.958  -8.270
  242   HD13  ILE  31          HD13      ILE  31   5.910   6.486  -6.686
  243    HA   PRO  32           HA       PRO  32   8.438   5.698 -11.878
  244    HB2  PRO  32           HB2      PRO  32   7.085   8.284 -11.230
  245    HB3  PRO  32           HB3      PRO  32   7.743   7.721 -12.776
  246    HG2  PRO  32           HG3      PRO  32   5.136   7.641 -12.287
  247    HG3  PRO  32           HG2      PRO  32   5.930   6.334 -13.180
  248    HD2  PRO  32           HD3      PRO  32   5.022   6.428 -10.338
  249    HD3  PRO  32           HD2      PRO  32   4.961   5.063 -11.486
  250    H    SER  33           H        SER  33  10.157   6.321 -11.356
  251    HA   SER  33           HA       SER  33  11.390   6.420  -8.822
  252    HB2  SER  33           HB3      SER  33  12.758   6.091 -10.871
  253    HB3  SER  33           HB2      SER  33  12.562   7.805 -11.275
  254    HG   SER  33           HG       SER  33  14.239   8.159 -10.058
  255    H    GLU  34           H        GLU  34  10.826   9.024 -10.815
  256    HA   GLU  34           HA       GLU  34  11.356  11.336  -9.345
  257    HB2  GLU  34           HB3      GLU  34  10.584  11.457 -11.670
  258    HB3  GLU  34           HB2      GLU  34   8.941  11.083 -11.146
  259    HG2  GLU  34           HG3      GLU  34   8.942  13.159  -9.824
  260    HG3  GLU  34           HG2      GLU  34  10.550  13.540 -10.471
  261    H    LYS  35           H        LYS  35   8.492   9.625  -9.395
  262    HA   LYS  35           HA       LYS  35   7.200  11.195  -7.449
  263    HB2  LYS  35           HB3      LYS  35   6.313   8.568  -8.616
  264    HB3  LYS  35           HB2      LYS  35   5.303   9.528  -7.539
  265    HG2  LYS  35           HG3      LYS  35   6.469  10.481 -10.135
  266    HG3  LYS  35           HG2      LYS  35   4.792   9.931  -9.915
  267    HD2  LYS  35           HD3      LYS  35   4.435  11.585  -8.292
  268    HD3  LYS  35           HD2      LYS  35   6.086  12.174  -8.355
  269    HE2  LYS  35           HE3      LYS  35   5.649  12.848 -10.756
  270    HE3  LYS  35           HE2      LYS  35   3.955  12.408 -10.485
  271    HZ1  LYS  35           HZ1      LYS  35   3.614  14.263  -9.146
  272    HZ2  LYS  35           HZ2      LYS  35   4.900  14.887 -10.062
  273    HZ3  LYS  35           HZ3      LYS  35   5.140  14.215  -8.531
  274    H    SER  36           H        SER  36   8.499   7.945  -7.192
  275    HA   SER  36           HA       SER  36   8.087   7.413  -4.552
  276    HB2  SER  36           HB3      SER  36   9.211   5.893  -6.018
  277    HB3  SER  36           HB2      SER  36  10.630   6.935  -6.133
  278    HG   SER  36           HG       SER  36  11.290   5.716  -4.584
  279    H    GLU  37           H        GLU  37  10.075   9.630  -5.793
  280    HA   GLU  37           HA       GLU  37  11.707  10.419  -3.516
  281    HB2  GLU  37           HB3      GLU  37  11.120  12.048  -5.967
  282    HB3  GLU  37           HB2      GLU  37  12.246  12.538  -4.704
  283    HG2  GLU  37           HG3      GLU  37  12.416  10.015  -6.277
  284    HG3  GLU  37           HG2      GLU  37  13.367  11.480  -6.638
  285    H    GLU  38           H        GLU  38   8.876  11.683  -4.839
  286    HA   GLU  38           HA       GLU  38   8.429  13.698  -2.768
  287    HB2  GLU  38           HB3      GLU  38   6.298  14.354  -3.787
  288    HB3  GLU  38           HB2      GLU  38   7.574  14.251  -4.988
  289    HG2  GLU  38           HG3      GLU  38   6.712  12.116  -5.723
  290    HG3  GLU  38           HG2      GLU  38   5.444  12.185  -4.516
  291    H    ILE  39           H        ILE  39   7.670  10.545  -2.992
  292    HA   ILE  39           HA       ILE  39   5.349  10.455  -1.330
  293    HB   ILE  39           HB       ILE  39   7.192   8.208  -2.150
  294   HG12  ILE  39          HG13      ILE  39   4.483   9.012  -3.221
  295   HG13  ILE  39          HG12      ILE  39   6.019   9.367  -4.011
  296   HG21  ILE  39          HG21      ILE  39   4.363   8.015  -1.174
  297   HG22  ILE  39          HG22      ILE  39   5.753   7.865  -0.085
  298   HG23  ILE  39          HG23      ILE  39   5.542   6.716  -1.424
  299   HD11  ILE  39          HD11      ILE  39   6.410   6.989  -4.241
  300   HD12  ILE  39          HD12      ILE  39   4.856   7.487  -4.935
  301   HD13  ILE  39          HD13      ILE  39   4.928   6.677  -3.347
  302    H    THR  40           H        THR  40   6.505  11.812   0.263
  303    HA   THR  40           HA       THR  40   8.207  10.429   2.182
  304    HB   THR  40           HB       THR  40   8.812  12.648   1.686
  305    HG1  THR  40           HG1      THR  40   7.881  12.192   4.265
  306   HG21  THR  40          HG21      THR  40   6.219  13.157   1.295
  307   HG22  THR  40          HG22      THR  40   7.413  14.436   1.449
  308   HG23  THR  40          HG23      THR  40   6.417  13.959   2.845
  309    H    THR  41           H        THR  41   5.338   9.706   1.922
  310    HA   THR  41           HA       THR  41   5.002   9.057   4.550
  311    HB   THR  41           HB       THR  41   4.155  11.097   5.014
  312    HG1  THR  41           HG1      THR  41   2.107  10.629   5.837
  313   HG21  THR  41          HG21      THR  41   2.830  12.485   3.794
  314   HG22  THR  41          HG22      THR  41   1.752  11.168   3.306
  315   HG23  THR  41          HG23      THR  41   3.301  11.386   2.496
  316    H    GLY  42           H        GLY  42   3.381   7.620   4.974
  317    HA2  GLY  42           HA3      GLY  42   3.274   5.704   2.854
  318    HA3  GLY  42           HA2      GLY  42   2.319   5.556   4.348
  319    H    SER  43           H        SER  43   0.519   7.749   4.281
  320    HA   SER  43           HA       SER  43  -1.340   7.115   2.566
  321    HB2  SER  43           HB3      SER  43  -0.613   9.766   3.790
  322    HB3  SER  43           HB2      SER  43  -2.218   9.275   3.211
  323    HG   SER  43           HG       SER  43  -2.479   8.083   4.897
  324    H    ALA  44           H        ALA  44   1.248   9.304   2.207
  325    HA   ALA  44           HA       ALA  44   0.502  10.766  -0.112
  326    HB1  ALA  44           HB1      ALA  44   2.860  10.792   1.278
  327    HB2  ALA  44           HB2      ALA  44   2.575  11.671  -0.221
  328    HB3  ALA  44           HB3      ALA  44   3.357  10.088  -0.255
  329    H    TRP  45           H        TRP  45   2.334   7.735   0.018
  330    HA   TRP  45           HA       TRP  45   2.446   7.326  -2.749
  331    HB2  TRP  45           HB3      TRP  45   3.768   6.079  -1.011
  332    HB3  TRP  45           HB2      TRP  45   2.282   5.297  -0.541
  333    HD1  TRP  45           HD1      TRP  45   3.623   5.743  -4.193
  334    HE1  TRP  45           HE1      TRP  45   3.752   3.347  -5.172
  335    HE3  TRP  45           HE3      TRP  45   2.288   3.034  -0.072
  336    HZ2  TRP  45           HZ2      TRP  45   3.389   0.779  -4.360
  337    HZ3  TRP  45           HZ3      TRP  45   2.218   0.591  -0.280
  338    HH2  TRP  45           HH2      TRP  45   2.765  -0.482  -2.406
  339    H    PHE  46           H        PHE  46   0.224   6.028  -0.378
  340    HA   PHE  46           HA       PHE  46  -1.383   4.793  -2.240
  341    HB2  PHE  46           HB3      PHE  46  -2.359   6.206   0.227
  342    HB3  PHE  46           HB2      PHE  46  -3.317   5.104  -0.754
  343    HD1  PHE  46           HD1      PHE  46  -2.102   2.817  -1.203
  344    HD2  PHE  46           HD2      PHE  46  -1.418   5.329   2.197
  345    HE1  PHE  46           HE1      PHE  46  -1.460   0.860   0.105
  346    HE2  PHE  46           HE2      PHE  46  -0.814   3.345   3.520
  347    HZ   PHE  46           HZ       PHE  46  -0.822   1.092   2.403
  348    H    SER  47           H        SER  47  -1.691   7.835  -1.038
  349    HA   SER  47           HA       SER  47  -3.780   8.913  -2.692
  350    HB2  SER  47           HB3      SER  47  -1.586  10.602  -1.482
  351    HB3  SER  47           HB2      SER  47  -3.079  11.216  -2.196
  352    HG   SER  47           HG       SER  47  -3.819   9.404  -0.484
  353    H    PHE  48           H        PHE  48  -0.412   8.694  -3.499
  354    HA   PHE  48           HA       PHE  48  -0.617  10.166  -5.970
  355    HB2  PHE  48           HB3      PHE  48   1.550   9.795  -4.950
  356    HB3  PHE  48           HB2      PHE  48   1.287   8.049  -4.954
  357    HD1  PHE  48           HD1      PHE  48   1.296  10.927  -7.344
  358    HD2  PHE  48           HD2      PHE  48   2.141   6.871  -6.571
  359    HE1  PHE  48           HE1      PHE  48   2.173  10.703  -9.609
  360    HE2  PHE  48           HE2      PHE  48   3.065   6.618  -8.842
  361    HZ   PHE  48           HZ       PHE  48   3.073   8.559 -10.377
  362    H    LEU  49           H        LEU  49  -0.388   6.672  -5.042
  363    HA   LEU  49           HA       LEU  49  -0.656   5.449  -7.376
  364    HB2  LEU  49           HB3      LEU  49  -0.130   4.926  -4.946
  365    HB3  LEU  49           HB2      LEU  49  -1.862   4.615  -4.780
  366    HG   LEU  49           HG       LEU  49  -1.488   2.500  -6.290
  367   HD11  LEU  49          HD11      LEU  49   0.316   2.360  -7.521
  368   HD12  LEU  49          HD12      LEU  49   1.346   2.792  -6.163
  369   HD13  LEU  49          HD13      LEU  49   0.620   4.061  -7.148
  370   HD21  LEU  49          HD21      LEU  49  -0.252   3.088  -3.716
  371   HD22  LEU  49          HD22      LEU  49   0.611   1.869  -4.643
  372   HD23  LEU  49          HD23      LEU  49  -1.089   1.648  -4.260
  373    H    GLU  50           H        GLU  50  -3.082   5.988  -5.033
  374    HA   GLU  50           HA       GLU  50  -5.590   5.504  -6.200
  375    HB2  GLU  50           HB3      GLU  50  -5.119   7.910  -4.404
  376    HB3  GLU  50           HB2      GLU  50  -6.695   7.280  -4.797
  377    HG2  GLU  50           HG3      GLU  50  -6.193   5.235  -3.586
  378    HG3  GLU  50           HG2      GLU  50  -4.559   5.810  -3.265
  379    H    SER  51           H        SER  51  -4.035   8.266  -6.210
  380    HA   SER  51           HA       SER  51  -5.624   9.960  -7.940
  381    HB2  SER  51           HB3      SER  51  -2.617  10.376  -7.701
  382    HB3  SER  51           HB2      SER  51  -3.726  11.488  -8.514
  383    HG   SER  51           HG       SER  51  -3.713  10.716  -5.812
  384    H    HIS  52           H        HIS  52  -3.350   7.529  -8.742
  385    HA   HIS  52           HA       HIS  52  -4.053   7.918 -11.560
  386    HB2  HIS  52           HB3      HIS  52  -1.725   6.461 -10.380
  387    HB3  HIS  52           HB2      HIS  52  -2.089   6.338 -12.130
  388    HD1  HIS  52           HD1      HIS  52   0.203   7.456 -12.799
  389    HD2  HIS  52           HD2      HIS  52  -1.951   9.381  -9.891
  390    HE1  HIS  52           HE1      HIS  52   1.437   9.626 -12.444
  391    H    ASN  53           H        ASN  53  -3.926   5.558 -12.651
  392    HA   ASN  53           HA       ASN  53  -6.039   4.146 -11.303
  393    HB2  ASN  53           HB3      ASN  53  -6.205   2.886 -13.451
  394    HB3  ASN  53           HB2      ASN  53  -6.385   4.620 -13.649
  395   HD21  ASN  53          HD22      ASN  53  -5.084   2.040 -15.020
  396   HD22  ASN  53          HD21      ASN  53  -3.721   2.761 -15.826
  397    H    LYS  54           H        LYS  54  -3.647   3.878  -9.909
  398    HA   LYS  54           HA       LYS  54  -2.991   1.105 -10.518
  399    HB2  LYS  54           HB3      LYS  54  -1.290   2.822  -8.653
  400    HB3  LYS  54           HB2      LYS  54  -0.977   1.168  -9.128
  401    HG2  LYS  54           HG3      LYS  54  -0.720   3.645 -10.861
  402    HG3  LYS  54           HG2      LYS  54   0.490   2.499 -10.271
  403    HD2  LYS  54           HD3      LYS  54  -1.690   1.742 -12.170
  404    HD3  LYS  54           HD2      LYS  54  -0.080   2.215 -12.695
  405    HE2  LYS  54           HE3      LYS  54   0.836   0.330 -11.327
  406    HE3  LYS  54           HE2      LYS  54  -0.836  -0.120 -10.963
  407    HZ1  LYS  54           HZ1      LYS  54  -1.102  -0.316 -13.503
  408    HZ2  LYS  54           HZ2      LYS  54  -0.185  -1.496 -12.709
  409    HZ3  LYS  54           HZ3      LYS  54   0.570  -0.265 -13.561
  410    H    LEU  55           H        LEU  55  -4.778   3.028  -8.354
  411    HA   LEU  55           HA       LEU  55  -5.508   0.682  -6.943
  412    HB2  LEU  55           HB3      LEU  55  -3.445   1.073  -5.767
  413    HB3  LEU  55           HB2      LEU  55  -3.863   2.725  -5.402
  414    HG   LEU  55           HG       LEU  55  -5.306   0.313  -4.170
  415   HD11  LEU  55          HD11      LEU  55  -3.768   0.145  -2.607
  416   HD12  LEU  55          HD12      LEU  55  -3.550   1.889  -2.451
  417   HD13  LEU  55          HD13      LEU  55  -2.704   0.999  -3.721
  418   HD21  LEU  55          HD21      LEU  55  -5.367   3.252  -3.636
  419   HD22  LEU  55          HD22      LEU  55  -5.566   2.105  -2.309
  420   HD23  LEU  55          HD23      LEU  55  -6.692   2.084  -3.675
  421    H    ASP  56           H        ASP  56  -7.488   0.909  -7.340
  422    HA   ASP  56           HA       ASP  56  -9.073   3.045  -6.368
  423    HB2  ASP  56           HB3      ASP  56  -9.816   0.408  -7.625
  424    HB3  ASP  56           HB2      ASP  56 -10.991   1.384  -6.762
  425    H    LYS  57           H        LYS  57 -10.733   2.553  -4.929
  426    HA   LYS  57           HA       LYS  57  -9.996   1.798  -2.414
  427    HB2  LYS  57           HB3      LYS  57 -12.512   1.395  -2.069
  428    HB3  LYS  57           HB2      LYS  57 -11.908   3.012  -2.419
  429    HG2  LYS  57           HG3      LYS  57 -14.037   2.316  -3.628
  430    HG3  LYS  57           HG2      LYS  57 -12.653   2.948  -4.564
  431    HD2  LYS  57           HD3      LYS  57 -12.086   0.863  -5.347
  432    HD3  LYS  57           HD2      LYS  57 -13.112   0.040  -4.206
  433    HE2  LYS  57           HE3      LYS  57 -14.170   1.755  -6.463
  434    HE3  LYS  57           HE2      LYS  57 -13.905   0.026  -6.613
  435    HZ1  LYS  57           HZ1      LYS  57 -16.165   0.499  -6.118
  436    HZ2  LYS  57           HZ2      LYS  57 -15.765   1.295  -4.661
  437    HZ3  LYS  57           HZ3      LYS  57 -15.432  -0.372  -4.879
  438    H    ASP  58           H        ASP  58 -10.887  -0.430  -4.924
  439    HA   ASP  58           HA       ASP  58 -11.359  -2.476  -2.969
  440    HB2  ASP  58           HB3      ASP  58 -12.247  -2.406  -5.864
  441    HB3  ASP  58           HB2      ASP  58 -12.412  -3.817  -4.844
  442    H    ASN  59           H        ASN  59  -9.337  -1.740  -5.629
  443    HA   ASN  59           HA       ASN  59  -8.350  -4.471  -5.579
  444    HB2  ASN  59           HB3      ASN  59  -7.312  -3.986  -7.609
  445    HB3  ASN  59           HB2      ASN  59  -8.452  -2.647  -7.601
  446   HD21  ASN  59          HD22      ASN  59  -7.811  -0.801  -6.744
  447   HD22  ASN  59          HD21      ASN  59  -6.118  -0.285  -6.915
  448    H    LEU  60           H        LEU  60  -6.721  -4.986  -4.664
  449    HA   LEU  60           HA       LEU  60  -5.026  -3.082  -3.180
  450    HB2  LEU  60           HB3      LEU  60  -4.886  -4.537  -1.246
  451    HB3  LEU  60           HB2      LEU  60  -6.547  -4.179  -1.621
  452    HG   LEU  60           HG       LEU  60  -5.118  -6.804  -2.090
  453   HD11  LEU  60          HD11      LEU  60  -6.472  -5.653   0.121
  454   HD12  LEU  60          HD12      LEU  60  -5.636  -7.207   0.008
  455   HD13  LEU  60          HD13      LEU  60  -7.346  -7.082  -0.429
  456   HD21  LEU  60          HD21      LEU  60  -7.586  -5.764  -3.208
  457   HD22  LEU  60          HD22      LEU  60  -7.863  -7.269  -2.299
  458   HD23  LEU  60          HD23      LEU  60  -6.675  -7.205  -3.615
  459    H    SER  61           H        SER  61  -5.152  -5.683  -5.013
  460    HA   SER  61           HA       SER  61  -2.883  -7.135  -4.583
  461    HB2  SER  61           HB3      SER  61  -2.914  -7.931  -6.973
  462    HB3  SER  61           HB2      SER  61  -4.453  -8.049  -6.121
  463    HG   SER  61           HG       SER  61  -4.170  -6.994  -8.389
  464    H    TYR  62           H        TYR  62  -2.908  -4.201  -6.290
  465    HA   TYR  62           HA       TYR  62  -0.260  -4.165  -7.339
  466    HB2  TYR  62           HB3      TYR  62  -1.873  -2.264  -7.750
  467    HB3  TYR  62           HB2      TYR  62  -1.719  -1.793  -6.056
  468    HD1  TYR  62           HD1      TYR  62   0.035  -1.906  -9.309
  469    HD2  TYR  62           HD2      TYR  62   0.211  -0.538  -5.290
  470    HE1  TYR  62           HE1      TYR  62   2.092  -0.640  -9.793
  471    HE2  TYR  62           HE2      TYR  62   2.320   0.540  -5.714
  472    HH   TYR  62           HH       TYR  62   4.150   0.067  -8.315
  473    H    ILE  63           H        ILE  63  -1.538  -3.097  -4.271
  474    HA   ILE  63           HA       ILE  63   1.012  -2.502  -3.115
  475    HB   ILE  63           HB       ILE  63  -0.127  -1.488  -1.338
  476   HG12  ILE  63          HG13      ILE  63  -2.726  -2.618  -2.340
  477   HG13  ILE  63          HG12      ILE  63  -1.841  -3.388  -1.016
  478   HG21  ILE  63          HG21      ILE  63  -0.077  -0.424  -3.428
  479   HG22  ILE  63          HG22      ILE  63  -1.529  -0.040  -2.462
  480   HG23  ILE  63          HG23      ILE  63  -1.617  -1.207  -3.798
  481   HD11  ILE  63          HD11      ILE  63  -3.472  -1.924  -0.080
  482   HD12  ILE  63          HD12      ILE  63  -2.861  -0.595  -1.105
  483   HD13  ILE  63          HD13      ILE  63  -1.814  -1.291   0.127
  484    H    GLU  64           H        GLU  64  -1.099  -5.063  -3.097
  485    HA   GLU  64           HA       GLU  64  -0.441  -6.323  -0.569
  486    HB2  GLU  64           HB3      GLU  64  -2.488  -6.934  -1.924
  487    HB3  GLU  64           HB2      GLU  64  -1.435  -7.632  -3.128
  488    HG2  GLU  64           HG3      GLU  64  -0.674  -9.305  -1.506
  489    HG3  GLU  64           HG2      GLU  64  -1.751  -8.589  -0.307
  490    H    HIS  65           H        HIS  65   0.607  -6.959  -3.915
  491    HA   HIS  65           HA       HIS  65   2.867  -8.554  -3.495
  492    HB2  HIS  65           HB3      HIS  65   1.746  -7.871  -5.653
  493    HB3  HIS  65           HB2      HIS  65   2.245  -6.227  -5.326
  494    HD1  HIS  65           HD1      HIS  65   3.903  -9.609  -6.013
  495    HD2  HIS  65           HD2      HIS  65   4.430  -5.534  -6.569
  496    HE1  HIS  65           HE1      HIS  65   6.029  -9.406  -7.276
  497    H    ILE  66           H        ILE  66   2.880  -5.152  -3.764
  498    HA   ILE  66           HA       ILE  66   5.370  -4.682  -3.225
  499    HB   ILE  66           HB       ILE  66   3.200  -3.108  -1.931
  500   HG12  ILE  66          HG13      ILE  66   2.938  -3.473  -4.134
  501   HG13  ILE  66          HG12      ILE  66   3.217  -1.703  -4.029
  502   HG21  ILE  66          HG21      ILE  66   4.901  -1.114  -2.144
  503   HG22  ILE  66          HG22      ILE  66   6.136  -2.343  -2.247
  504   HG23  ILE  66          HG23      ILE  66   5.142  -2.235  -0.826
  505   HD11  ILE  66          HD11      ILE  66   5.566  -3.365  -4.592
  506   HD12  ILE  66          HD12      ILE  66   4.931  -1.927  -5.438
  507   HD13  ILE  66          HD13      ILE  66   4.265  -3.533  -5.785
  508    H    PHE  67           H        PHE  67   2.913  -5.118  -0.537
  509    HA   PHE  67           HA       PHE  67   4.846  -4.861   1.304
  510    HB2  PHE  67           HB3      PHE  67   2.121  -6.131   1.521
  511    HB3  PHE  67           HB2      PHE  67   3.160  -5.680   2.867
  512    HD1  PHE  67           HD1      PHE  67   4.017  -3.145   2.732
  513    HD2  PHE  67           HD2      PHE  67   0.535  -4.710   0.941
  514    HE1  PHE  67           HE1      PHE  67   3.073  -0.867   2.620
  515    HE2  PHE  67           HE2      PHE  67  -0.436  -2.445   0.829
  516    HZ   PHE  67           HZ       PHE  67   0.848  -0.528   1.670
  517    H    GLU  68           H        GLU  68   3.972  -7.724  -0.658
  518    HA   GLU  68           HA       GLU  68   5.085  -9.654   1.229
  519    HB2  GLU  68           HB3      GLU  68   3.319 -10.207  -0.425
  520    HB3  GLU  68           HB2      GLU  68   4.415  -9.736  -1.713
  521    HG2  GLU  68           HG3      GLU  68   4.403 -12.103  -1.572
  522    HG3  GLU  68           HG2      GLU  68   5.936 -11.416  -0.964
  523    H    ILE  69           H        ILE  69   6.076  -8.257  -1.876
  524    HA   ILE  69           HA       ILE  69   8.508  -9.419  -1.853
  525    HB   ILE  69           HB       ILE  69   9.194  -7.900  -3.584
  526   HG12  ILE  69          HG13      ILE  69   6.551  -6.505  -3.072
  527   HG13  ILE  69          HG12      ILE  69   8.157  -5.833  -2.784
  528   HG21  ILE  69          HG21      ILE  69   6.498  -8.391  -4.451
  529   HG22  ILE  69          HG22      ILE  69   7.155  -9.759  -3.543
  530   HG23  ILE  69          HG23      ILE  69   7.996  -9.161  -4.985
  531   HD11  ILE  69          HD11      ILE  69   8.596  -6.359  -5.154
  532   HD12  ILE  69          HD12      ILE  69   7.533  -4.975  -4.818
  533   HD13  ILE  69          HD13      ILE  69   6.845  -6.558  -5.319
  534    H    SER  70           H        SER  70   7.658  -6.374  -0.501
  535    HA   SER  70           HA       SER  70  10.365  -5.657   0.123
  536    HB2  SER  70           HB3      SER  70   8.762  -3.935  -0.557
  537    HB3  SER  70           HB2      SER  70   7.723  -4.366   0.798
  538    HG   SER  70           HG       SER  70   9.008  -2.552   1.206
  539    H    ARG  71           H        ARG  71  11.092  -5.421   2.318
  540    HA   ARG  71           HA       ARG  71  10.095  -7.501   3.951
  541    HB2  ARG  71           HB3      ARG  71  12.425  -5.689   4.447
  542    HB3  ARG  71           HB2      ARG  71  11.876  -6.880   5.614
  543    HG2  ARG  71           HG3      ARG  71  12.721  -7.420   2.801
  544    HG3  ARG  71           HG2      ARG  71  13.701  -7.757   4.254
  545    HD2  ARG  71           HD3      ARG  71  11.795  -9.275   4.984
  546    HD3  ARG  71           HD2      ARG  71  11.071  -9.017   3.407
  547    HE   ARG  71           HE       ARG  71  12.483 -10.527   2.535
  548   HH11  ARG  71          HH11      ARG  71  13.891  -9.617   5.739
  549   HH12  ARG  71          HH12      ARG  71  15.290 -10.519   5.518
  550   HH21  ARG  71          HH22      ARG  71  14.530 -11.751   2.295
  551   HH22  ARG  71          HH21      ARG  71  15.687 -11.706   3.547
  552    H    ARG  72           H        ARG  72   8.104  -6.303   3.899
  553    HA   ARG  72           HA       ARG  72   7.552  -5.578   6.575
  554    HB2  ARG  72           HB3      ARG  72   7.108  -3.559   4.411
  555    HB3  ARG  72           HB2      ARG  72   5.959  -3.646   5.733
  556    HG2  ARG  72           HG3      ARG  72   8.940  -3.291   6.076
  557    HG3  ARG  72           HG2      ARG  72   7.741  -1.977   6.113
  558    HD2  ARG  72           HD3      ARG  72   6.584  -3.040   7.975
  559    HD3  ARG  72           HD2      ARG  72   7.695  -4.397   7.922
  560    HE   ARG  72           HE       ARG  72   8.000  -1.899   9.184
  561   HH11  ARG  72          HH11      ARG  72   9.952  -4.530   7.769
  562   HH12  ARG  72          HH12      ARG  72  11.369  -4.085   8.612
  563   HH21  ARG  72          HH22      ARG  72   9.923  -1.308  10.239
  564   HH22  ARG  72          HH21      ARG  72  11.356  -2.204  10.078
  565    HA   PRO  73           HA       PRO  73   4.562  -8.431   4.558
  566    HB2  PRO  73           HB2      PRO  73   5.479 -10.360   6.589
  567    HB3  PRO  73           HB3      PRO  73   5.361 -10.553   4.841
  568    HG2  PRO  73           HG3      PRO  73   7.733 -10.349   6.070
  569    HG3  PRO  73           HG2      PRO  73   7.457  -9.677   4.452
  570    HD2  PRO  73           HD3      PRO  73   7.393  -8.272   7.101
  571    HD3  PRO  73           HD2      PRO  73   8.208  -7.800   5.578
  572    H    ASP  74           H        ASP  74   5.322  -7.084   7.554
  573    HA   ASP  74           HA       ASP  74   3.264  -8.049   9.264
  574    HB2  ASP  74           HB3      ASP  74   4.570  -5.277   9.232
  575    HB3  ASP  74           HB2      ASP  74   3.743  -6.007  10.592
  576    H    LEU  75           H        LEU  75   3.731  -5.447   7.369
  577    HA   LEU  75           HA       LEU  75   1.117  -4.249   7.367
  578    HB2  LEU  75           HB3      LEU  75   3.318  -3.788   5.368
  579    HB3  LEU  75           HB2      LEU  75   1.781  -2.973   5.263
  580    HG   LEU  75           HG       LEU  75   2.272  -1.733   7.389
  581   HD11  LEU  75          HD11      LEU  75   3.914  -3.794   8.053
  582   HD12  LEU  75          HD12      LEU  75   3.910  -2.194   8.801
  583   HD13  LEU  75          HD13      LEU  75   5.060  -2.566   7.516
  584   HD21  LEU  75          HD21      LEU  75   4.610  -0.927   6.425
  585   HD22  LEU  75          HD22      LEU  75   3.038  -0.437   5.796
  586   HD23  LEU  75          HD23      LEU  75   3.922  -1.740   5.008
  587    H    LEU  76           H        LEU  76   2.663  -6.226   5.117
  588    HA   LEU  76           HA       LEU  76   0.721  -6.855   3.049
  589    HB2  LEU  76           HB3      LEU  76   2.857  -8.230   3.241
  590    HB3  LEU  76           HB2      LEU  76   2.026  -9.108   4.533
  591    HG   LEU  76           HG       LEU  76   0.228  -9.484   2.828
  592   HD11  LEU  76          HD11      LEU  76   1.895  -8.191   1.112
  593   HD12  LEU  76          HD12      LEU  76   0.322  -8.951   0.856
  594   HD13  LEU  76          HD13      LEU  76   1.810  -9.874   0.612
  595   HD21  LEU  76          HD21      LEU  76   2.549 -10.998   3.547
  596   HD22  LEU  76          HD22      LEU  76   1.986 -11.428   1.920
  597   HD23  LEU  76          HD23      LEU  76   0.873 -11.492   3.299
  598    H    THR  77           H        THR  77   1.138  -8.506   5.962
  599    HA   THR  77           HA       THR  77  -1.011 -10.157   6.207
  600    HB   THR  77           HB       THR  77   0.397  -8.624   8.340
  601    HG1  THR  77           HG1      THR  77   1.883  -9.873   7.439
  602   HG21  THR  77          HG21      THR  77  -1.679 -10.625   8.407
  603   HG22  THR  77          HG22      THR  77  -1.211  -9.375   9.576
  604   HG23  THR  77          HG23      THR  77  -0.296 -10.918   9.507
  605    H    MET  78           H        MET  78  -0.774  -6.856   7.285
  606    HA   MET  78           HA       MET  78  -3.355  -6.590   8.362
  607    HB2  MET  78           HB3      MET  78  -1.625  -4.423   7.146
  608    HB3  MET  78           HB2      MET  78  -2.956  -4.185   8.266
  609    HG2  MET  78           HG3      MET  78  -1.803  -5.455   9.982
  610    HG3  MET  78           HG2      MET  78  -0.460  -5.744   8.910
  611    HE1  MET  78           HE1      MET  78  -2.757  -3.241  10.184
  612    HE2  MET  78           HE2      MET  78  -2.027  -1.762   9.575
  613    HE3  MET  78           HE3      MET  78  -1.762  -2.242  11.246
  614    H    VAL  79           H        VAL  79  -2.134  -6.155   5.124
  615    HA   VAL  79           HA       VAL  79  -4.550  -5.121   3.930
  616    HB   VAL  79           HB       VAL  79  -2.257  -6.641   2.646
  617   HG11  VAL  79          HG11      VAL  79  -4.630  -5.430   1.559
  618   HG12  VAL  79          HG12      VAL  79  -3.454  -6.495   0.800
  619   HG13  VAL  79          HG13      VAL  79  -3.171  -4.752   0.832
  620   HG21  VAL  79          HG21      VAL  79  -1.205  -4.897   3.696
  621   HG22  VAL  79          HG22      VAL  79  -2.497  -3.743   3.361
  622   HG23  VAL  79          HG23      VAL  79  -1.441  -4.291   2.055
  623    H    VAL  80           H        VAL  80  -2.979  -8.240   4.021
  624    HA   VAL  80           HA       VAL  80  -4.869  -9.840   2.710
  625    HB   VAL  80           HB       VAL  80  -2.992 -10.650   4.998
  626   HG11  VAL  80          HG11      VAL  80  -3.446 -12.845   4.655
  627   HG12  VAL  80          HG12      VAL  80  -3.950 -12.628   2.981
  628   HG13  VAL  80          HG13      VAL  80  -5.019 -12.143   4.317
  629   HG21  VAL  80          HG21      VAL  80  -1.992 -11.688   2.635
  630   HG22  VAL  80          HG22      VAL  80  -1.369 -10.278   3.491
  631   HG23  VAL  80          HG23      VAL  80  -2.527 -10.066   2.182
  632    H    ASP  81           H        ASP  81  -4.427  -9.420   5.970
  633    HA   ASP  81           HA       ASP  81  -6.672 -10.741   6.994
  634    HB2  ASP  81           HB3      ASP  81  -4.796 -10.232   8.467
  635    HB3  ASP  81           HB2      ASP  81  -5.221  -8.524   8.455
  636    H    TYR  82           H        TYR  82  -6.373  -7.385   6.315
  637    HA   TYR  82           HA       TYR  82  -8.943  -6.250   6.931
  638    HB2  TYR  82           HB3      TYR  82  -7.298  -4.772   6.230
  639    HB3  TYR  82           HB2      TYR  82  -6.955  -5.685   4.754
  640    HD1  TYR  82           HD1      TYR  82  -9.751  -3.672   6.392
  641    HD2  TYR  82           HD2      TYR  82  -7.828  -5.011   2.824
  642    HE1  TYR  82           HE1      TYR  82 -11.248  -2.313   5.011
  643    HE2  TYR  82           HE2      TYR  82  -9.327  -3.688   1.506
  644    HH   TYR  82           HH       TYR  82 -11.211  -2.524   1.513
  645    H    ARG  83           H        ARG  83  -7.751  -7.673   3.949
  646    HA   ARG  83           HA       ARG  83 -10.012  -7.486   2.424
  647    HB2  ARG  83           HB3      ARG  83  -8.078  -7.773   1.308
  648    HB3  ARG  83           HB2      ARG  83  -7.463  -8.950   2.417
  649    HG2  ARG  83           HG3      ARG  83  -9.650  -9.657   0.570
  650    HG3  ARG  83           HG2      ARG  83  -7.984  -9.567  -0.074
  651    HD2  ARG  83           HD3      ARG  83  -7.527 -11.154   1.990
  652    HD3  ARG  83           HD2      ARG  83  -9.249 -11.436   1.943
  653    HE   ARG  83           HE       ARG  83  -8.898 -12.810   0.161
  654   HH11  ARG  83          HH11      ARG  83  -6.103 -10.552   0.265
  655   HH12  ARG  83          HH12      ARG  83  -5.359 -11.083  -1.120
  656   HH21  ARG  83          HH22      ARG  83  -7.886 -13.583  -1.848
  657   HH22  ARG  83          HH21      ARG  83  -6.429 -12.939  -2.381
  658    H    THR  84           H        THR  84  -8.905  -9.862   4.289
  659    HA   THR  84           HA       THR  84 -10.971 -11.802   4.092
  660    HB   THR  84           HB       THR  84  -9.173 -11.124   6.326
  661    HG1  THR  84           HG1      THR  84  -7.837 -11.808   4.814
  662   HG21  THR  84          HG21      THR  84 -11.039 -13.252   5.834
  663   HG22  THR  84          HG22      THR  84 -10.720 -12.278   7.282
  664   HG23  THR  84          HG23      THR  84  -9.546 -13.584   6.820
  665    H    ARG  85           H        ARG  85 -10.457  -9.919   6.659
  666    HA   ARG  85           HA       ARG  85 -12.804 -10.147   8.036
  667    HB2  ARG  85           HB3      ARG  85 -12.765  -8.097   9.394
  668    HB3  ARG  85           HB2      ARG  85 -11.266  -9.000   9.403
  669    HG2  ARG  85           HG3      ARG  85 -10.125  -7.380   8.186
  670    HG3  ARG  85           HG2      ARG  85 -11.588  -6.585   7.621
  671    HD2  ARG  85           HD3      ARG  85 -10.430  -5.395   9.393
  672    HD3  ARG  85           HD2      ARG  85 -12.119  -5.881   9.756
  673    HE   ARG  85           HE       ARG  85 -11.321  -6.799  11.624
  674   HH11  ARG  85          HH11      ARG  85  -8.608  -6.815   9.398
  675   HH12  ARG  85          HH12      ARG  85  -7.648  -7.811  10.402
  676   HH21  ARG  85          HH22      ARG  85  -9.933  -8.053  13.036
  677   HH22  ARG  85          HH21      ARG  85  -8.400  -8.526  12.479
  678    H    VAL  86           H        VAL  86 -12.271  -7.695   5.970
  679    HA   VAL  86           HA       VAL  86 -14.875  -6.541   6.027
  680    HB   VAL  86           HB       VAL  86 -12.771  -6.332   3.879
  681   HG11  VAL  86          HG11      VAL  86 -14.379  -5.255   2.617
  682   HG12  VAL  86          HG12      VAL  86 -14.437  -4.029   3.889
  683   HG13  VAL  86          HG13      VAL  86 -15.543  -5.395   3.938
  684   HG21  VAL  86          HG21      VAL  86 -11.773  -5.082   5.430
  685   HG22  VAL  86          HG22      VAL  86 -13.177  -5.244   6.482
  686   HG23  VAL  86          HG23      VAL  86 -13.114  -3.941   5.300
  687    H    LEU  87           H        LEU  87 -13.497  -9.049   4.082
  688    HA   LEU  87           HA       LEU  87 -15.590  -9.652   2.301
  689    HB2  LEU  87           HB3      LEU  87 -13.186 -10.370   2.313
  690    HB3  LEU  87           HB2      LEU  87 -13.464 -11.245   3.766
  691    HG   LEU  87           HG       LEU  87 -13.085 -12.677   1.979
  692   HD11  LEU  87          HD11      LEU  87 -15.431 -13.880   1.835
  693   HD12  LEU  87          HD12      LEU  87 -15.754 -12.752   3.169
  694   HD13  LEU  87          HD13      LEU  87 -14.387 -13.858   3.266
  695   HD21  LEU  87          HD21      LEU  87 -15.322 -11.314   0.525
  696   HD22  LEU  87          HD22      LEU  87 -14.528 -12.803  -0.017
  697   HD23  LEU  87          HD23      LEU  87 -13.586 -11.318   0.152
  698    H    LYS  88           H        LYS  88 -14.650 -10.812   5.447
  699    HA   LYS  88           HA       LYS  88 -16.816 -12.465   6.016
  700    HB2  LYS  88           HB3      LYS  88 -14.562 -12.606   7.088
  701    HB3  LYS  88           HB2      LYS  88 -14.904 -11.140   7.976
  702    HG2  LYS  88           HG3      LYS  88 -16.526 -13.627   8.274
  703    HG3  LYS  88           HG2      LYS  88 -15.054 -13.325   9.222
  704    HD2  LYS  88           HD3      LYS  88 -17.504 -11.553   9.201
  705    HD3  LYS  88           HD2      LYS  88 -17.302 -12.878  10.339
  706    HE2  LYS  88           HE3      LYS  88 -16.713 -10.753  11.371
  707    HE3  LYS  88           HE2      LYS  88 -15.295 -11.781  11.234
  708    HZ1  LYS  88           HZ1      LYS  88 -15.916  -9.590   9.313
  709    HZ2  LYS  88           HZ2      LYS  88 -14.453 -10.447   9.523
  710    HZ3  LYS  88           HZ3      LYS  88 -14.999  -9.411  10.735
  711    H    ILE  89           H        ILE  89 -16.478  -9.012   6.593
  712    HA   ILE  89           HA       ILE  89 -18.711  -8.792   8.327
  713    HB   ILE  89           HB       ILE  89 -16.919  -7.034   6.804
  714   HG12  ILE  89          HG13      ILE  89 -17.288  -7.325   9.790
  715   HG13  ILE  89          HG12      ILE  89 -15.951  -7.901   8.786
  716   HG21  ILE  89          HG21      ILE  89 -19.211  -5.971   8.450
  717   HG22  ILE  89          HG22      ILE  89 -19.060  -6.010   6.686
  718   HG23  ILE  89          HG23      ILE  89 -17.958  -5.004   7.631
  719   HD11  ILE  89          HD11      ILE  89 -15.569  -5.816  10.179
  720   HD12  ILE  89          HD12      ILE  89 -16.589  -4.985   9.003
  721   HD13  ILE  89          HD13      ILE  89 -15.098  -5.756   8.477
  722    H    SER  90           H        SER  90 -18.023  -8.101   4.929
  723    HA   SER  90           HA       SER  90 -20.715  -7.207   4.450
  724    HB2  SER  90           HB3      SER  90 -18.438  -7.723   2.542
  725    HB3  SER  90           HB2      SER  90 -19.928  -6.822   2.195
  726    HG   SER  90           HG       SER  90 -17.670  -6.051   3.530
  Start of MODEL   10
    1    H1   MET   1           H        MET   1 -15.880   0.946   0.446
    2    H2   MET   1           H2       MET   1 -14.860   0.275   1.611
    3    H3   MET   1           H3       MET   1 -15.966   1.425   2.069
    4    HA   MET   1           HA       MET   1 -13.524   1.704   0.411
    5    HB2  MET   1           HB3      MET   1 -15.641   3.791   0.946
    6    HB3  MET   1           HB2      MET   1 -14.055   4.146   0.281
    7    HG2  MET   1           HG3      MET   1 -14.573   2.681  -1.630
    8    HG3  MET   1           HG2      MET   1 -16.184   2.432  -0.970
    9    HE1  MET   1           HE1      MET   1 -13.687   5.070  -2.522
   10    HE2  MET   1           HE2      MET   1 -14.044   5.677  -0.903
   11    HE3  MET   1           HE3      MET   1 -14.623   6.559  -2.327
   12    H    ALA   2           H        ALA   2 -15.314   2.845   3.118
   13    HA   ALA   2           HA       ALA   2 -13.200   4.250   4.415
   14    HB1  ALA   2           HB1      ALA   2 -15.821   3.275   5.454
   15    HB2  ALA   2           HB2      ALA   2 -15.129   4.892   5.509
   16    HB3  ALA   2           HB3      ALA   2 -14.602   3.678   6.662
   17    H    GLU   3           H        GLU   3 -14.288   1.076   5.305
   18    HA   GLU   3           HA       GLU   3 -12.641   0.170   7.033
   19    HB2  GLU   3           HB3      GLU   3 -12.904  -1.444   4.490
   20    HB3  GLU   3           HB2      GLU   3 -12.686  -2.080   6.088
   21    HG2  GLU   3           HG3      GLU   3 -14.910  -2.602   5.431
   22    HG3  GLU   3           HG2      GLU   3 -14.997  -1.341   6.650
   23    H    TYR   4           H        TYR   4 -12.146   0.209   3.939
   24    HA   TYR   4           HA       TYR   4  -9.394  -0.592   3.513
   25    HB2  TYR   4           HB3      TYR   4 -10.849  -0.609   1.605
   26    HB3  TYR   4           HB2      TYR   4 -10.833   1.172   1.497
   27    HD1  TYR   4           HD1      TYR   4  -8.332  -1.553   1.908
   28    HD2  TYR   4           HD2      TYR   4  -9.580   1.762  -0.446
   29    HE1  TYR   4           HE1      TYR   4  -6.474  -1.963   0.358
   30    HE2  TYR   4           HE2      TYR   4  -7.723   1.364  -1.978
   31    HH   TYR   4           HH       TYR   4  -6.302  -0.539  -2.658
   32    H    GLY   5           H        GLY   5 -10.893   2.481   3.597
   33    HA2  GLY   5           HA3      GLY   5  -8.747   4.318   3.402
   34    HA3  GLY   5           HA2      GLY   5 -10.184   4.664   4.356
   35    H    THR   6           H        THR   6 -10.036   2.855   6.471
   36    HA   THR   6           HA       THR   6  -8.058   3.877   8.154
   37    HB   THR   6           HB       THR   6  -9.695   1.376   8.316
   38    HG1  THR   6           HG1      THR   6 -11.269   2.884   8.221
   39   HG21  THR   6          HG21      THR   6  -7.780   1.927   9.915
   40   HG22  THR   6          HG22      THR   6  -9.327   1.376  10.581
   41   HG23  THR   6          HG23      THR   6  -8.928   3.100  10.606
   42    H    LEU   7           H        LEU   7  -8.526   0.940   6.544
   43    HA   LEU   7           HA       LEU   7  -6.299  -0.620   7.156
   44    HB2  LEU   7           HB3      LEU   7  -7.995  -1.489   5.816
   45    HB3  LEU   7           HB2      LEU   7  -7.672  -0.371   4.522
   46    HG   LEU   7           HG       LEU   7  -7.168  -2.706   4.285
   47   HD11  LEU   7          HD11      LEU   7  -4.988  -2.304   3.019
   48   HD12  LEU   7          HD12      LEU   7  -5.012  -0.671   3.753
   49   HD13  LEU   7          HD13      LEU   7  -6.335  -1.200   2.696
   50   HD21  LEU   7          HD21      LEU   7  -4.544  -2.320   5.563
   51   HD22  LEU   7          HD22      LEU   7  -5.422  -3.814   5.254
   52   HD23  LEU   7          HD23      LEU   7  -5.936  -2.742   6.568
   53    H    LEU   8           H        LEU   8  -6.310   1.552   4.634
   54    HA   LEU   8           HA       LEU   8  -3.469   1.699   4.093
   55    HB2  LEU   8           HB3      LEU   8  -5.415   3.979   3.556
   56    HB3  LEU   8           HB2      LEU   8  -3.685   3.989   3.220
   57    HG   LEU   8           HG       LEU   8  -3.871   2.402   1.481
   58   HD11  LEU   8          HD11      LEU   8  -6.825   2.070   1.872
   59   HD12  LEU   8          HD12      LEU   8  -5.689   0.996   2.677
   60   HD13  LEU   8          HD13      LEU   8  -5.718   1.090   0.927
   61   HD21  LEU   8          HD21      LEU   8  -5.294   4.820   1.480
   62   HD22  LEU   8          HD22      LEU   8  -6.212   3.659   0.524
   63   HD23  LEU   8          HD23      LEU   8  -4.529   3.989   0.120
   64    H    GLN   9           H        GLN   9  -5.363   3.458   6.376
   65    HA   GLN   9           HA       GLN   9  -3.420   5.228   7.532
   66    HB2  GLN   9           HB3      GLN   9  -5.694   5.775   7.476
   67    HB3  GLN   9           HB2      GLN   9  -6.165   4.210   8.120
   68    HG2  GLN   9           HG3      GLN   9  -6.464   5.728   9.736
   69    HG3  GLN   9           HG2      GLN   9  -5.020   4.749  10.039
   70   HE21  GLN   9          HE22      GLN   9  -3.570   5.903  11.184
   71   HE22  GLN   9          HE21      GLN   9  -2.998   7.467  10.788
   72    H    ASP  10           H        ASP  10  -4.247   2.156   8.018
   73    HA   ASP  10           HA       ASP  10  -3.079   1.848  10.650
   74    HB2  ASP  10           HB3      ASP  10  -4.708  -0.229   9.265
   75    HB3  ASP  10           HB2      ASP  10  -3.591  -0.673  10.539
   76    H    LEU  11           H        LEU  11  -2.187   0.888   7.378
   77    HA   LEU  11           HA       LEU  11   0.155  -0.333   8.438
   78    HB2  LEU  11           HB3      LEU  11   0.829  -0.731   6.166
   79    HB3  LEU  11           HB2      LEU  11  -0.733  -1.469   6.493
   80    HG   LEU  11           HG       LEU  11  -1.555   0.723   5.318
   81   HD11  LEU  11          HD11      LEU  11   1.159   1.086   5.268
   82   HD12  LEU  11          HD12      LEU  11  -0.071   2.020   4.398
   83   HD13  LEU  11          HD13      LEU  11   0.729   0.652   3.608
   84   HD21  LEU  11          HD21      LEU  11  -0.348  -1.095   3.330
   85   HD22  LEU  11          HD22      LEU  11  -2.019  -0.590   3.531
   86   HD23  LEU  11          HD23      LEU  11  -1.363  -1.877   4.544
   87    H    THR  12           H        THR  12  -0.915   2.495   7.232
   88    HA   THR  12           HA       THR  12   1.527   3.860   6.785
   89    HB   THR  12           HB       THR  12  -1.241   4.950   7.283
   90    HG1  THR  12           HG1      THR  12  -1.118   3.998   5.344
   91   HG21  THR  12          HG21      THR  12  -0.302   6.836   7.634
   92   HG22  THR  12          HG22      THR  12   0.174   6.755   5.911
   93   HG23  THR  12          HG23      THR  12   1.293   6.154   7.222
   94    H    ASN  13           H        ASN  13  -0.488   3.434   9.626
   95    HA   ASN  13           HA       ASN  13   0.973   5.091  11.433
   96    HB2  ASN  13           HB3      ASN  13  -0.492   2.506  12.117
   97    HB3  ASN  13           HB2      ASN  13   0.186   3.592  13.296
   98   HD21  ASN  13          HD22      ASN  13  -2.589   2.612  12.209
   99   HD22  ASN  13          HD21      ASN  13  -3.533   4.036  12.299
  100    H    ASN  14           H        ASN  14   1.439   1.891  10.266
  101    HA   ASN  14           HA       ASN  14   3.749   1.489  12.000
  102    HB2  ASN  14           HB3      ASN  14   2.374  -0.396  10.080
  103    HB3  ASN  14           HB2      ASN  14   3.814  -0.808  11.001
  104   HD21  ASN  14          HD22      ASN  14   0.465  -0.839  11.073
  105   HD22  ASN  14          HD21      ASN  14   0.277  -1.126  12.763
  106    H    ILE  15           H        ILE  15   3.266   2.936   9.104
  107    HA   ILE  15           HA       ILE  15   5.603   2.015   7.705
  108    HB   ILE  15           HB       ILE  15   3.408   3.966   7.184
  109   HG12  ILE  15          HG13      ILE  15   3.358   1.640   6.318
  110   HG13  ILE  15          HG12      ILE  15   3.175   2.893   5.084
  111   HG21  ILE  15          HG21      ILE  15   5.768   5.049   6.707
  112   HG22  ILE  15          HG22      ILE  15   4.327   5.288   5.677
  113   HG23  ILE  15          HG23      ILE  15   5.538   4.097   5.231
  114   HD11  ILE  15          HD11      ILE  15   5.969   2.200   5.418
  115   HD12  ILE  15          HD12      ILE  15   4.969   2.191   3.987
  116   HD13  ILE  15          HD13      ILE  15   5.017   0.771   5.020
  117    H    THR  16           H        THR  16   7.564   2.565   8.208
  118    HA   THR  16           HA       THR  16   8.110   5.104   9.414
  119    HB   THR  16           HB       THR  16  10.375   4.412   9.562
  120    HG1  THR  16           HG1      THR  16  10.050   1.811   8.667
  121   HG21  THR  16          HG21      THR  16   8.778   3.655  11.117
  122   HG22  THR  16          HG22      THR  16  10.246   2.627  10.998
  123   HG23  THR  16          HG23      THR  16   8.728   2.111  10.169
  124    H    LEU  17           H        LEU  17   9.378   6.387   8.420
  125    HA   LEU  17           HA       LEU  17   9.103   6.998   5.699
  126    HB2  LEU  17           HB3      LEU  17  10.172   8.549   7.338
  127    HB3  LEU  17           HB2      LEU  17  11.606   7.549   7.322
  128    HG   LEU  17           HG       LEU  17  11.986   8.130   4.966
  129   HD11  LEU  17          HD11      LEU  17   9.407   9.573   5.353
  130   HD12  LEU  17          HD12      LEU  17   9.966   8.651   3.966
  131   HD13  LEU  17          HD13      LEU  17  10.590  10.279   4.261
  132   HD21  LEU  17          HD21      LEU  17  13.112   9.423   6.622
  133   HD22  LEU  17          HD22      LEU  17  11.690  10.432   6.898
  134   HD23  LEU  17          HD23      LEU  17  12.546  10.522   5.359
  135    H    GLU  18           H        GLU  18  11.688   5.214   7.217
  136    HA   GLU  18           HA       GLU  18  12.972   4.343   4.842
  137    HB2  GLU  18           HB3      GLU  18  13.140   2.929   7.508
  138    HB3  GLU  18           HB2      GLU  18  14.085   2.529   6.069
  139    HG2  GLU  18           HG3      GLU  18  15.050   4.807   6.147
  140    HG3  GLU  18           HG2      GLU  18  14.114   5.098   7.609
  141    H    ASP  19           H        ASP  19  10.642   2.716   6.660
  142    HA   ASP  19           HA       ASP  19  10.315   0.271   5.157
  143    HB2  ASP  19           HB3      ASP  19   8.141   1.866   6.559
  144    HB3  ASP  19           HB2      ASP  19   7.766   0.314   5.776
  145    H    LEU  20           H        LEU  20   8.449   3.231   4.668
  146    HA   LEU  20           HA       LEU  20   7.470   2.559   2.266
  147    HB2  LEU  20           HB3      LEU  20   8.265   5.224   3.178
  148    HB3  LEU  20           HB2      LEU  20   7.775   4.976   1.519
  149    HG   LEU  20           HG       LEU  20   6.080   4.341   3.898
  150   HD11  LEU  20          HD11      LEU  20   5.100   6.364   3.429
  151   HD12  LEU  20          HD12      LEU  20   5.799   6.452   1.812
  152   HD13  LEU  20          HD13      LEU  20   6.806   6.732   3.234
  153   HD21  LEU  20          HD21      LEU  20   4.761   3.256   2.417
  154   HD22  LEU  20          HD22      LEU  20   6.080   3.381   1.261
  155   HD23  LEU  20          HD23      LEU  20   4.833   4.622   1.294
  156    H    GLU  21           H        GLU  21  10.562   4.016   2.763
  157    HA   GLU  21           HA       GLU  21  10.978   4.084  -0.001
  158    HB2  GLU  21           HB3      GLU  21  13.186   4.224   2.034
  159    HB3  GLU  21           HB2      GLU  21  13.374   4.488   0.294
  160    HG2  GLU  21           HG3      GLU  21  11.613   6.284   0.506
  161    HG3  GLU  21           HG2      GLU  21  11.801   6.134   2.241
  162    H    GLN  22           H        GLN  22  11.471   1.803   2.238
  163    HA   GLN  22           HA       GLN  22  12.880   0.007   0.555
  164    HB2  GLN  22           HB3      GLN  22  12.797  -0.112   3.110
  165    HB3  GLN  22           HB2      GLN  22  11.202  -0.811   2.943
  166    HG2  GLN  22           HG3      GLN  22  13.692  -1.983   1.801
  167    HG3  GLN  22           HG2      GLN  22  13.067  -2.445   3.400
  168   HE21  GLN  22          HE22      GLN  22  13.514  -3.509   0.567
  169   HE22  GLN  22          HE21      GLN  22  12.057  -4.397   0.226
  170    H    LEU  23           H        LEU  23   9.328   0.399   1.241
  171    HA   LEU  23           HA       LEU  23   8.411  -1.502  -0.528
  172    HB2  LEU  23           HB3      LEU  23   7.326   1.221   0.233
  173    HB3  LEU  23           HB2      LEU  23   6.384  -0.012  -0.604
  174    HG   LEU  23           HG       LEU  23   7.429  -0.052   2.192
  175   HD11  LEU  23          HD11      LEU  23   4.601   0.067   1.200
  176   HD12  LEU  23          HD12      LEU  23   5.536   1.472   1.685
  177   HD13  LEU  23          HD13      LEU  23   5.173   0.210   2.859
  178   HD21  LEU  23          HD21      LEU  23   5.535  -2.000   2.003
  179   HD22  LEU  23          HD22      LEU  23   7.287  -2.242   2.021
  180   HD23  LEU  23          HD23      LEU  23   6.442  -2.161   0.490
  181    H    LYS  24           H        LYS  24   9.284   1.681  -0.888
  182    HA   LYS  24           HA       LYS  24   8.744   2.329  -3.666
  183    HB2  LYS  24           HB3      LYS  24  10.999   3.429  -1.940
  184    HB3  LYS  24           HB2      LYS  24  10.558   4.061  -3.514
  185    HG2  LYS  24           HG3      LYS  24   8.512   4.893  -2.798
  186    HG3  LYS  24           HG2      LYS  24   8.516   3.918  -1.331
  187    HD2  LYS  24           HD3      LYS  24   8.935   6.333  -0.890
  188    HD3  LYS  24           HD2      LYS  24  10.259   5.299  -0.372
  189    HE2  LYS  24           HE3      LYS  24  11.524   5.933  -2.352
  190    HE3  LYS  24           HE2      LYS  24  10.166   6.897  -2.915
  191    HZ1  LYS  24           HZ1      LYS  24  10.543   7.988  -0.508
  192    HZ2  LYS  24           HZ2      LYS  24  11.270   8.542  -1.910
  193    HZ3  LYS  24           HZ3      LYS  24  12.127   7.567  -0.822
  194    H    SER  25           H        SER  25  11.346   1.314  -2.192
  195    HA   SER  25           HA       SER  25  13.301   0.690  -4.209
  196    HB2  SER  25           HB3      SER  25  13.210  -0.879  -1.559
  197    HB3  SER  25           HB2      SER  25  14.558  -0.951  -2.694
  198    HG   SER  25           HG       SER  25  13.576   1.363  -1.367
  199    H    ALA  26           H        ALA  26  11.139  -1.325  -2.742
  200    HA   ALA  26           HA       ALA  26  11.257  -3.530  -4.609
  201    HB1  ALA  26           HB1      ALA  26   9.912  -4.408  -2.984
  202    HB2  ALA  26           HB2      ALA  26   8.585  -3.484  -3.704
  203    HB3  ALA  26           HB3      ALA  26   9.517  -2.805  -2.395
  204    H    CYS  27           H        CYS  27   9.123  -0.670  -4.436
  205    HA   CYS  27           HA       CYS  27   7.782  -1.244  -6.769
  206    HB2  CYS  27           HB3      CYS  27   8.028   1.384  -5.392
  207    HB3  CYS  27           HB2      CYS  27   6.866   0.865  -6.619
  208    HG   CYS  27           HG       CYS  27   7.109  -0.521  -3.541
  209    H    LYS  28           H        LYS  28  10.925  -0.223  -6.712
  210    HA   LYS  28           HA       LYS  28  11.056   2.106  -8.177
  211    HB2  LYS  28           HB3      LYS  28  12.879  -0.288  -8.351
  212    HB3  LYS  28           HB2      LYS  28  13.277   1.244  -9.122
  213    HG2  LYS  28           HG3      LYS  28  13.293   2.260  -6.862
  214    HG3  LYS  28           HG2      LYS  28  12.933   0.670  -6.183
  215    HD2  LYS  28           HD3      LYS  28  15.349   1.209  -6.031
  216    HD3  LYS  28           HD2      LYS  28  15.051  -0.169  -7.085
  217    HE2  LYS  28           HE3      LYS  28  15.284   1.314  -9.048
  218    HE3  LYS  28           HE2      LYS  28  15.528   2.683  -7.971
  219    HZ1  LYS  28           HZ1      LYS  28  17.679   2.110  -7.652
  220    HZ2  LYS  28           HZ2      LYS  28  17.468   1.191  -9.050
  221    HZ3  LYS  28           HZ3      LYS  28  17.333   0.436  -7.582
  222    H    GLU  29           H        GLU  29  10.537  -1.065  -9.419
  223    HA   GLU  29           HA       GLU  29  10.565  -0.285 -12.152
  224    HB2  GLU  29           HB3      GLU  29   9.496  -2.793 -10.869
  225    HB3  GLU  29           HB2      GLU  29   9.737  -2.533 -12.598
  226    HG2  GLU  29           HG3      GLU  29  12.114  -2.220 -12.252
  227    HG3  GLU  29           HG2      GLU  29  11.913  -2.401 -10.523
  228    H    ASP  30           H        ASP  30   7.975  -0.743  -9.786
  229    HA   ASP  30           HA       ASP  30   6.038  -0.313 -11.850
  230    HB2  ASP  30           HB3      ASP  30   5.616  -0.883  -8.945
  231    HB3  ASP  30           HB2      ASP  30   4.308  -0.555 -10.069
  232    H    ILE  31           H        ILE  31   7.007   1.571  -9.032
  233    HA   ILE  31           HA       ILE  31   5.073   3.550  -9.925
  234    HB   ILE  31           HB       ILE  31   5.118   2.733  -7.506
  235   HG12  ILE  31          HG13      ILE  31   4.047   4.945  -8.029
  236   HG13  ILE  31          HG12      ILE  31   4.671   4.833  -6.389
  237   HG21  ILE  31          HG21      ILE  31   6.662   3.629  -5.961
  238   HG22  ILE  31          HG22      ILE  31   7.548   4.414  -7.246
  239   HG23  ILE  31          HG23      ILE  31   7.481   2.628  -7.175
  240   HD11  ILE  31          HD11      ILE  31   5.081   6.905  -8.075
  241   HD12  ILE  31          HD12      ILE  31   6.530   5.892  -8.310
  242   HD13  ILE  31          HD13      ILE  31   6.055   6.493  -6.666
  243    HA   PRO  32           HA       PRO  32   8.124   5.452 -12.080
  244    HB2  PRO  32           HB2      PRO  32   6.793   8.059 -11.489
  245    HB3  PRO  32           HB3      PRO  32   7.273   7.381 -13.035
  246    HG2  PRO  32           HG3      PRO  32   4.725   7.293 -12.284
  247    HG3  PRO  32           HG2      PRO  32   5.464   5.913 -13.131
  248    HD2  PRO  32           HD3      PRO  32   4.880   6.288 -10.233
  249    HD3  PRO  32           HD2      PRO  32   4.696   4.809 -11.210
  250    H    SER  33           H        SER  33   9.939   6.270 -11.842
  251    HA   SER  33           HA       SER  33  11.331   6.637  -9.380
  252    HB2  SER  33           HB3      SER  33  12.553   6.185 -11.530
  253    HB3  SER  33           HB2      SER  33  12.204   7.837 -12.050
  254    HG   SER  33           HG       SER  33  13.419   8.140  -9.749
  255    H    GLU  34           H        GLU  34  10.429   9.028 -11.629
  256    HA   GLU  34           HA       GLU  34  10.791  11.472 -10.452
  257    HB2  GLU  34           HB3      GLU  34   9.840  11.242 -12.694
  258    HB3  GLU  34           HB2      GLU  34   8.320  10.663 -12.026
  259    HG2  GLU  34           HG3      GLU  34   7.925  12.865 -11.065
  260    HG3  GLU  34           HG2      GLU  34   9.463  13.438 -11.722
  261    H    LYS  35           H        LYS  35   8.167   9.552 -10.074
  262    HA   LYS  35           HA       LYS  35   6.975  11.062  -7.968
  263    HB2  LYS  35           HB3      LYS  35   6.023   8.447  -9.080
  264    HB3  LYS  35           HB2      LYS  35   5.158   9.309  -7.818
  265    HG2  LYS  35           HG3      LYS  35   5.872  10.464 -10.482
  266    HG3  LYS  35           HG2      LYS  35   4.276   9.830 -10.013
  267    HD2  LYS  35           HD3      LYS  35   4.147  11.354  -8.202
  268    HD3  LYS  35           HD2      LYS  35   5.716  12.028  -8.521
  269    HE2  LYS  35           HE3      LYS  35   4.887  12.848 -10.672
  270    HE3  LYS  35           HE2      LYS  35   3.271  12.260 -10.260
  271    HZ1  LYS  35           HZ1      LYS  35   4.447  14.688  -9.441
  272    HZ2  LYS  35           HZ2      LYS  35   4.301  13.689  -8.089
  273    HZ3  LYS  35           HZ3      LYS  35   2.938  14.085  -8.959
  274    H    SER  36           H        SER  36   8.476   7.945  -7.771
  275    HA   SER  36           HA       SER  36   8.244   7.469  -5.104
  276    HB2  SER  36           HB3      SER  36   9.247   5.919  -6.570
  277    HB3  SER  36           HB2      SER  36  10.655   6.968  -6.893
  278    HG   SER  36           HG       SER  36  11.385   5.600  -5.426
  279    H    GLU  37           H        GLU  37   9.949   9.890  -6.509
  280    HA   GLU  37           HA       GLU  37  11.873  10.682  -4.567
  281    HB2  GLU  37           HB3      GLU  37  10.312  12.402  -6.449
  282    HB3  GLU  37           HB2      GLU  37  11.558  13.058  -5.394
  283    HG2  GLU  37           HG3      GLU  37  12.014  10.902  -7.413
  284    HG3  GLU  37           HG2      GLU  37  12.314  12.621  -7.746
  285    H    GLU  38           H        GLU  38   8.511  12.132  -4.918
  286    HA   GLU  38           HA       GLU  38   8.778  13.382  -2.520
  287    HB2  GLU  38           HB3      GLU  38   6.537  14.165  -3.160
  288    HB3  GLU  38           HB2      GLU  38   7.715  14.276  -4.455
  289    HG2  GLU  38           HG3      GLU  38   6.794  12.217  -5.474
  290    HG3  GLU  38           HG2      GLU  38   5.574  12.159  -4.222
  291    H    ILE  39           H        ILE  39   8.445  10.256  -2.639
  292    HA   ILE  39           HA       ILE  39   6.064  10.020  -1.074
  293    HB   ILE  39           HB       ILE  39   7.840   7.892  -2.207
  294   HG12  ILE  39          HG13      ILE  39   5.000   8.775  -2.811
  295   HG13  ILE  39          HG12      ILE  39   6.430   9.200  -3.744
  296   HG21  ILE  39          HG21      ILE  39   5.861   6.364  -1.526
  297   HG22  ILE  39          HG22      ILE  39   5.408   7.676  -0.432
  298   HG23  ILE  39          HG23      ILE  39   6.957   6.851  -0.214
  299   HD11  ILE  39          HD11      ILE  39   6.660   7.045  -4.491
  300   HD12  ILE  39          HD12      ILE  39   4.923   7.415  -4.540
  301   HD13  ILE  39          HD13      ILE  39   5.585   6.427  -3.206
  302    H    THR  40           H        THR  40   7.089  11.418   0.460
  303    HA   THR  40           HA       THR  40   8.753  10.098   2.424
  304    HB   THR  40           HB       THR  40   9.384  12.308   1.803
  305    HG1  THR  40           HG1      THR  40   8.527  11.834   4.390
  306   HG21  THR  40          HG21      THR  40   7.196  13.841   2.914
  307   HG22  THR  40          HG22      THR  40   6.663  12.724   1.655
  308   HG23  THR  40          HG23      THR  40   7.914  13.876   1.276
  309    H    THR  41           H        THR  41   5.729   9.760   2.029
  310    HA   THR  41           HA       THR  41   5.286   9.016   4.689
  311    HB   THR  41           HB       THR  41   4.688  11.263   5.073
  312    HG1  THR  41           HG1      THR  41   2.985  10.780   6.254
  313   HG21  THR  41          HG21      THR  41   2.286  11.238   3.328
  314   HG22  THR  41          HG22      THR  41   3.867  11.563   2.611
  315   HG23  THR  41          HG23      THR  41   3.227  12.601   3.905
  316    H    GLY  42           H        GLY  42   3.489   7.824   5.081
  317    HA2  GLY  42           HA3      GLY  42   3.183   5.884   3.021
  318    HA3  GLY  42           HA2      GLY  42   2.204   5.926   4.489
  319    H    SER  43           H        SER  43   0.644   8.216   4.342
  320    HA   SER  43           HA       SER  43  -1.264   7.763   2.636
  321    HB2  SER  43           HB3      SER  43  -0.234  10.377   3.759
  322    HB3  SER  43           HB2      SER  43  -1.888  10.010   3.252
  323    HG   SER  43           HG       SER  43  -1.368   9.852   5.546
  324    H    ALA  44           H        ALA  44   1.529   9.705   2.247
  325    HA   ALA  44           HA       ALA  44   0.967  11.127  -0.152
  326    HB1  ALA  44           HB1      ALA  44   3.075  11.917   0.019
  327    HB2  ALA  44           HB2      ALA  44   3.712  10.320  -0.392
  328    HB3  ALA  44           HB3      ALA  44   3.381  10.727   1.291
  329    H    TRP  45           H        TRP  45   2.556   7.976   0.122
  330    HA   TRP  45           HA       TRP  45   2.544   7.471  -2.669
  331    HB2  TRP  45           HB3      TRP  45   3.987   6.302  -0.986
  332    HB3  TRP  45           HB2      TRP  45   2.547   5.522  -0.372
  333    HD1  TRP  45           HD1      TRP  45   3.775   5.836  -4.092
  334    HE1  TRP  45           HE1      TRP  45   3.918   3.433  -4.994
  335    HE3  TRP  45           HE3      TRP  45   2.471   3.223   0.108
  336    HZ2  TRP  45           HZ2      TRP  45   3.548   0.859  -4.134
  337    HZ3  TRP  45           HZ3      TRP  45   2.383   0.790  -0.042
  338    HH2  TRP  45           HH2      TRP  45   2.910  -0.358  -2.126
  339    H    PHE  46           H        PHE  46   0.297   6.264  -0.149
  340    HA   PHE  46           HA       PHE  46  -1.220   4.975  -2.017
  341    HB2  PHE  46           HB3      PHE  46  -2.272   6.375   0.425
  342    HB3  PHE  46           HB2      PHE  46  -3.231   5.317  -0.598
  343    HD1  PHE  46           HD1      PHE  46  -2.015   3.026  -1.115
  344    HD2  PHE  46           HD2      PHE  46  -1.461   5.451   2.354
  345    HE1  PHE  46           HE1      PHE  46  -1.433   1.031   0.156
  346    HE2  PHE  46           HE2      PHE  46  -0.927   3.433   3.663
  347    HZ   PHE  46           HZ       PHE  46  -0.898   1.215   2.519
  348    H    SER  47           H        SER  47  -1.657   8.049  -0.852
  349    HA   SER  47           HA       SER  47  -3.691   9.061  -2.572
  350    HB2  SER  47           HB3      SER  47  -1.550  10.734  -1.301
  351    HB3  SER  47           HB2      SER  47  -3.018  11.389  -2.031
  352    HG   SER  47           HG       SER  47  -3.995   9.690  -0.505
  353    H    PHE  48           H        PHE  48  -0.293   8.823  -3.297
  354    HA   PHE  48           HA       PHE  48  -0.498  10.284  -5.790
  355    HB2  PHE  48           HB3      PHE  48   1.718   9.919  -4.897
  356    HB3  PHE  48           HB2      PHE  48   1.460   8.190  -4.803
  357    HD1  PHE  48           HD1      PHE  48   1.165  10.852  -7.390
  358    HD2  PHE  48           HD2      PHE  48   2.309   6.917  -6.360
  359    HE1  PHE  48           HE1      PHE  48   1.748  10.440  -9.701
  360    HE2  PHE  48           HE2      PHE  48   2.957   6.464  -8.667
  361    HZ   PHE  48           HZ       PHE  48   2.664   8.239 -10.380
  362    H    LEU  49           H        LEU  49  -0.319   6.792  -4.880
  363    HA   LEU  49           HA       LEU  49  -0.545   5.637  -7.233
  364    HB2  LEU  49           HB3      LEU  49  -0.022   5.019  -4.870
  365    HB3  LEU  49           HB2      LEU  49  -1.763   4.737  -4.684
  366    HG   LEU  49           HG       LEU  49  -1.464   2.648  -6.251
  367   HD11  LEU  49          HD11      LEU  49   0.663   2.208  -7.106
  368   HD12  LEU  49          HD12      LEU  49   1.357   3.603  -6.268
  369   HD13  LEU  49          HD13      LEU  49   0.226   3.841  -7.598
  370   HD21  LEU  49          HD21      LEU  49   0.764   2.075  -4.657
  371   HD22  LEU  49          HD22      LEU  49  -0.910   1.626  -4.358
  372   HD23  LEU  49          HD23      LEU  49  -0.270   3.111  -3.675
  373    H    GLU  50           H        GLU  50  -3.063   6.094  -4.821
  374    HA   GLU  50           HA       GLU  50  -5.531   5.499  -5.979
  375    HB2  GLU  50           HB3      GLU  50  -5.232   8.024  -4.318
  376    HB3  GLU  50           HB2      GLU  50  -6.733   7.221  -4.675
  377    HG2  GLU  50           HG3      GLU  50  -6.082   5.316  -3.317
  378    HG3  GLU  50           HG2      GLU  50  -4.508   6.090  -3.001
  379    H    SER  51           H        SER  51  -4.155   8.298  -6.028
  380    HA   SER  51           HA       SER  51  -5.848   9.864  -7.711
  381    HB2  SER  51           HB3      SER  51  -2.885  10.487  -7.550
  382    HB3  SER  51           HB2      SER  51  -4.083  11.551  -8.309
  383    HG   SER  51           HG       SER  51  -3.821  10.801  -5.610
  384    H    HIS  52           H        HIS  52  -3.427   7.644  -8.592
  385    HA   HIS  52           HA       HIS  52  -4.164   7.985 -11.405
  386    HB2  HIS  52           HB3      HIS  52  -1.702   6.669 -10.245
  387    HB3  HIS  52           HB2      HIS  52  -2.079   6.557 -11.994
  388    HD1  HIS  52           HD1      HIS  52   0.033   7.973 -12.744
  389    HD2  HIS  52           HD2      HIS  52  -2.192   9.542  -9.683
  390    HE1  HIS  52           HE1      HIS  52   0.992  10.263 -12.418
  391    H    ASN  53           H        ASN  53  -4.076   5.680 -12.555
  392    HA   ASN  53           HA       ASN  53  -6.138   4.264 -11.105
  393    HB2  ASN  53           HB3      ASN  53  -5.048   3.759 -13.888
  394    HB3  ASN  53           HB2      ASN  53  -6.408   2.902 -13.174
  395   HD21  ASN  53          HD22      ASN  53  -5.682   5.158 -15.335
  396   HD22  ASN  53          HD21      ASN  53  -7.042   6.204 -15.172
  397    H    LYS  54           H        LYS  54  -3.705   4.009  -9.793
  398    HA   LYS  54           HA       LYS  54  -3.212   1.340 -10.387
  399    HB2  LYS  54           HB3      LYS  54  -1.250   3.214  -9.069
  400    HB3  LYS  54           HB2      LYS  54  -0.989   1.465  -9.033
  401    HG2  LYS  54           HG3      LYS  54  -1.328   3.136 -11.490
  402    HG3  LYS  54           HG2      LYS  54   0.158   2.355 -10.883
  403    HD2  LYS  54           HD3      LYS  54  -0.718   0.178 -11.211
  404    HD3  LYS  54           HD2      LYS  54  -2.339   0.839 -11.428
  405    HE2  LYS  54           HE3      LYS  54  -1.571   0.155 -13.404
  406    HE3  LYS  54           HE2      LYS  54  -1.845   1.882 -13.131
  407    HZ1  LYS  54           HZ1      LYS  54   0.897   0.653 -13.113
  408    HZ2  LYS  54           HZ2      LYS  54   0.567   2.311 -13.192
  409    HZ3  LYS  54           HZ3      LYS  54   0.247   1.339 -14.517
  410    H    LEU  55           H        LEU  55  -5.104   2.960  -8.362
  411    HA   LEU  55           HA       LEU  55  -5.509   0.690  -6.736
  412    HB2  LEU  55           HB3      LEU  55  -3.476   1.539  -5.604
  413    HB3  LEU  55           HB2      LEU  55  -4.269   3.056  -5.321
  414    HG   LEU  55           HG       LEU  55  -5.288   0.495  -4.057
  415   HD11  LEU  55          HD11      LEU  55  -3.095   0.652  -3.180
  416   HD12  LEU  55          HD12      LEU  55  -4.043   1.483  -1.987
  417   HD13  LEU  55          HD13      LEU  55  -3.097   2.411  -3.161
  418   HD21  LEU  55          HD21      LEU  55  -5.818   3.379  -3.768
  419   HD22  LEU  55          HD22      LEU  55  -5.740   2.453  -2.271
  420   HD23  LEU  55          HD23      LEU  55  -6.898   2.011  -3.545
  421    H    ASP  56           H        ASP  56  -7.463   0.591  -7.045
  422    HA   ASP  56           HA       ASP  56  -9.276   2.647  -6.388
  423    HB2  ASP  56           HB3      ASP  56  -9.624   0.098  -7.723
  424    HB3  ASP  56           HB2      ASP  56 -10.959   0.467  -6.645
  425    H    LYS  57           H        LYS  57 -11.024   2.249  -4.989
  426    HA   LYS  57           HA       LYS  57 -10.348   1.841  -2.299
  427    HB2  LYS  57           HB3      LYS  57 -12.701   1.789  -1.757
  428    HB3  LYS  57           HB2      LYS  57 -12.446   2.998  -2.994
  429    HG2  LYS  57           HG3      LYS  57 -13.429   0.234  -3.429
  430    HG3  LYS  57           HG2      LYS  57 -14.494   1.664  -3.355
  431    HD2  LYS  57           HD3      LYS  57 -13.220   2.567  -5.247
  432    HD3  LYS  57           HD2      LYS  57 -12.300   1.038  -5.206
  433    HE2  LYS  57           HE3      LYS  57 -13.997   1.058  -7.074
  434    HE3  LYS  57           HE2      LYS  57 -14.234  -0.228  -5.911
  435    HZ1  LYS  57           HZ1      LYS  57 -15.807   2.141  -5.262
  436    HZ2  LYS  57           HZ2      LYS  57 -16.198   0.511  -5.392
  437    HZ3  LYS  57           HZ3      LYS  57 -16.174   1.455  -6.756
  438    H    ASP  58           H        ASP  58 -11.364  -0.541  -4.715
  439    HA   ASP  58           HA       ASP  58 -11.420  -2.569  -2.679
  440    HB2  ASP  58           HB3      ASP  58 -12.636  -3.950  -4.387
  441    HB3  ASP  58           HB2      ASP  58 -13.486  -2.510  -3.834
  442    H    ASN  59           H        ASN  59  -9.803  -1.612  -5.507
  443    HA   ASN  59           HA       ASN  59  -8.352  -4.113  -5.576
  444    HB2  ASN  59           HB3      ASN  59  -8.094  -1.637  -7.247
  445    HB3  ASN  59           HB2      ASN  59  -7.110  -3.095  -7.464
  446   HD21  ASN  59          HD22      ASN  59  -9.977  -1.631  -7.919
  447   HD22  ASN  59          HD21      ASN  59 -10.885  -2.852  -8.734
  448    H    LEU  60           H        LEU  60  -6.757  -4.521  -4.619
  449    HA   LEU  60           HA       LEU  60  -4.970  -2.404  -3.621
  450    HB2  LEU  60           HB3      LEU  60  -4.660  -3.498  -1.494
  451    HB3  LEU  60           HB2      LEU  60  -6.338  -3.149  -1.782
  452    HG   LEU  60           HG       LEU  60  -4.982  -5.842  -1.827
  453   HD11  LEU  60          HD11      LEU  60  -5.261  -5.172   0.359
  454   HD12  LEU  60          HD12      LEU  60  -6.648  -6.218   0.051
  455   HD13  LEU  60          HD13      LEU  60  -6.826  -4.451   0.026
  456   HD21  LEU  60          HD21      LEU  60  -6.591  -6.337  -3.314
  457   HD22  LEU  60          HD22      LEU  60  -7.657  -5.028  -2.795
  458   HD23  LEU  60          HD23      LEU  60  -7.561  -6.525  -1.848
  459    H    SER  61           H        SER  61  -5.229  -5.127  -5.278
  460    HA   SER  61           HA       SER  61  -3.178  -6.799  -4.878
  461    HB2  SER  61           HB3      SER  61  -4.860  -7.165  -6.673
  462    HB3  SER  61           HB2      SER  61  -4.078  -5.927  -7.643
  463    HG   SER  61           HG       SER  61  -3.175  -8.467  -6.883
  464    H    TYR  62           H        TYR  62  -2.896  -3.828  -6.417
  465    HA   TYR  62           HA       TYR  62  -0.250  -3.834  -7.413
  466    HB2  TYR  62           HB3      TYR  62  -1.819  -1.909  -7.738
  467    HB3  TYR  62           HB2      TYR  62  -1.640  -1.487  -6.035
  468    HD1  TYR  62           HD1      TYR  62   0.030  -1.531  -9.305
  469    HD2  TYR  62           HD2      TYR  62   0.334  -0.373  -5.246
  470    HE1  TYR  62           HE1      TYR  62   2.077  -0.295  -9.806
  471    HE2  TYR  62           HE2      TYR  62   2.441   0.706  -5.655
  472    HH   TYR  62           HH       TYR  62   4.286   0.361  -8.040
  473    H    ILE  63           H        ILE  63  -1.529  -2.831  -4.322
  474    HA   ILE  63           HA       ILE  63   1.011  -2.283  -3.093
  475    HB   ILE  63           HB       ILE  63  -0.090  -1.318  -1.318
  476   HG12  ILE  63          HG13      ILE  63  -2.727  -2.361  -2.295
  477   HG13  ILE  63          HG12      ILE  63  -1.844  -3.177  -0.987
  478   HG21  ILE  63          HG21      ILE  63  -1.425   0.224  -2.344
  479   HG22  ILE  63          HG22      ILE  63  -1.786  -0.950  -3.647
  480   HG23  ILE  63          HG23      ILE  63  -0.158  -0.270  -3.497
  481   HD11  ILE  63          HD11      ILE  63  -1.990  -1.349   0.383
  482   HD12  ILE  63          HD12      ILE  63  -3.632  -1.444  -0.316
  483   HD13  ILE  63          HD13      ILE  63  -2.407  -0.290  -0.942
  484    H    GLU  64           H        GLU  64  -1.158  -4.805  -3.163
  485    HA   GLU  64           HA       GLU  64  -0.578  -6.076  -0.630
  486    HB2  GLU  64           HB3      GLU  64  -2.593  -6.580  -1.965
  487    HB3  GLU  64           HB2      GLU  64  -1.583  -7.295  -3.211
  488    HG2  GLU  64           HG3      GLU  64  -0.839  -8.974  -1.503
  489    HG3  GLU  64           HG2      GLU  64  -2.002  -8.242  -0.400
  490    H    HIS  65           H        HIS  65   0.487  -6.742  -3.970
  491    HA   HIS  65           HA       HIS  65   2.700  -8.409  -3.502
  492    HB2  HIS  65           HB3      HIS  65   1.622  -7.594  -5.673
  493    HB3  HIS  65           HB2      HIS  65   2.319  -6.030  -5.300
  494    HD1  HIS  65           HD1      HIS  65   3.554  -9.564  -6.140
  495    HD2  HIS  65           HD2      HIS  65   4.622  -5.572  -6.335
  496    HE1  HIS  65           HE1      HIS  65   5.828  -9.575  -7.149
  497    H    ILE  66           H        ILE  66   2.827  -5.016  -3.778
  498    HA   ILE  66           HA       ILE  66   5.354  -4.566  -3.148
  499    HB   ILE  66           HB       ILE  66   3.159  -2.960  -1.935
  500   HG12  ILE  66          HG13      ILE  66   2.965  -3.354  -4.150
  501   HG13  ILE  66          HG12      ILE  66   3.225  -1.588  -4.045
  502   HG21  ILE  66          HG21      ILE  66   5.805  -1.611  -2.610
  503   HG22  ILE  66          HG22      ILE  66   5.725  -2.571  -1.148
  504   HG23  ILE  66          HG23      ILE  66   4.666  -1.229  -1.338
  505   HD11  ILE  66          HD11      ILE  66   5.628  -3.175  -4.526
  506   HD12  ILE  66          HD12      ILE  66   4.924  -1.822  -5.461
  507   HD13  ILE  66          HD13      ILE  66   4.338  -3.479  -5.709
  508    H    PHE  67           H        PHE  67   2.802  -4.973  -0.552
  509    HA   PHE  67           HA       PHE  67   4.745  -4.774   1.292
  510    HB2  PHE  67           HB3      PHE  67   1.966  -5.873   1.537
  511    HB3  PHE  67           HB2      PHE  67   3.041  -5.521   2.895
  512    HD1  PHE  67           HD2      PHE  67   3.988  -3.008   2.863
  513    HD2  PHE  67           HD1      PHE  67   0.515  -4.408   0.923
  514    HE1  PHE  67           HE2      PHE  67   3.170  -0.658   2.689
  515    HE2  PHE  67           HE1      PHE  67  -0.333  -2.072   0.733
  516    HZ   PHE  67           HZ       PHE  67   0.994  -0.229   1.624
  517    H    GLU  68           H        GLU  68   3.764  -7.625  -0.685
  518    HA   GLU  68           HA       GLU  68   4.654  -9.549   1.246
  519    HB2  GLU  68           HB3      GLU  68   3.122 -10.065  -0.695
  520    HB3  GLU  68           HB2      GLU  68   4.454  -9.660  -1.766
  521    HG2  GLU  68           HG3      GLU  68   5.799 -11.442  -0.683
  522    HG3  GLU  68           HG2      GLU  68   4.376 -11.915   0.220
  523    H    ILE  69           H        ILE  69   5.878  -8.169  -1.759
  524    HA   ILE  69           HA       ILE  69   8.265  -9.366  -1.685
  525    HB   ILE  69           HB       ILE  69   9.051  -7.808  -3.340
  526   HG12  ILE  69          HG13      ILE  69   6.425  -6.387  -2.881
  527   HG13  ILE  69          HG12      ILE  69   8.019  -5.724  -2.526
  528   HG21  ILE  69          HG21      ILE  69   7.966  -9.290  -4.594
  529   HG22  ILE  69          HG22      ILE  69   6.605  -8.154  -4.603
  530   HG23  ILE  69          HG23      ILE  69   6.672  -9.429  -3.395
  531   HD11  ILE  69          HD11      ILE  69   8.361  -5.164  -4.619
  532   HD12  ILE  69          HD12      ILE  69   6.605  -5.460  -4.827
  533   HD13  ILE  69          HD13      ILE  69   7.773  -6.761  -5.148
  534    H    SER  70           H        SER  70   7.377  -6.462  -0.123
  535    HA   SER  70           HA       SER  70  10.031  -5.608   0.496
  536    HB2  SER  70           HB3      SER  70   8.877  -3.984   1.915
  537    HB3  SER  70           HB2      SER  70   8.145  -4.048   0.305
  538    HG   SER  70           HG       SER  70   6.887  -5.838   1.852
  539    H    ARG  71           H        ARG  71  11.038  -5.960   2.473
  540    HA   ARG  71           HA       ARG  71  10.002  -8.134   3.983
  541    HB2  ARG  71           HB3      ARG  71  12.653  -6.732   4.286
  542    HB3  ARG  71           HB2      ARG  71  12.130  -8.021   5.358
  543    HG2  ARG  71           HG3      ARG  71  12.434  -8.233   2.393
  544    HG3  ARG  71           HG2      ARG  71  13.574  -8.912   3.583
  545    HD2  ARG  71           HD3      ARG  71  11.681 -10.314   4.417
  546    HD3  ARG  71           HD2      ARG  71  10.667  -9.669   3.144
  547    HE   ARG  71           HE       ARG  71  11.557 -11.161   1.724
  548   HH11  ARG  71          HH11      ARG  71  13.953 -10.987   4.429
  549   HH12  ARG  71          HH12      ARG  71  14.957 -12.173   3.764
  550   HH21  ARG  71          HH22      ARG  71  13.081 -12.724   0.808
  551   HH22  ARG  71          HH21      ARG  71  14.496 -13.128   1.673
  552    H    ARG  72           H        ARG  72   8.153  -6.612   4.375
  553    HA   ARG  72           HA       ARG  72   8.300  -5.750   7.162
  554    HB2  ARG  72           HB3      ARG  72   8.698  -3.701   5.621
  555    HB3  ARG  72           HB2      ARG  72   7.057  -3.932   5.038
  556    HG2  ARG  72           HG3      ARG  72   7.024  -2.243   6.721
  557    HG3  ARG  72           HG2      ARG  72   6.265  -3.686   7.396
  558    HD2  ARG  72           HD3      ARG  72   8.464  -4.305   8.360
  559    HD3  ARG  72           HD2      ARG  72   9.102  -2.756   7.808
  560    HE   ARG  72           HE       ARG  72   6.805  -2.532   9.507
  561   HH11  ARG  72          HH11      ARG  72  10.143  -2.026   9.277
  562   HH12  ARG  72          HH12      ARG  72  10.546  -2.088  10.942
  563   HH21  ARG  72          HH22      ARG  72   7.132  -2.626  11.878
  564   HH22  ARG  72          HH21      ARG  72   8.728  -2.441  12.486
  565    HA   PRO  73           HA       PRO  73   4.664  -8.499   5.477
  566    HB2  PRO  73           HB2      PRO  73   4.827 -10.280   7.521
  567    HB3  PRO  73           HB3      PRO  73   5.696 -10.407   5.976
  568    HG2  PRO  73           HG3      PRO  73   6.593  -9.277   8.578
  569    HG3  PRO  73           HG2      PRO  73   7.433 -10.455   7.518
  570    HD2  PRO  73           HD3      PRO  73   8.148  -7.932   7.481
  571    HD3  PRO  73           HD2      PRO  73   7.930  -8.824   5.948
  572    H    ASP  74           H        ASP  74   5.038  -6.751   8.352
  573    HA   ASP  74           HA       ASP  74   2.530  -7.579   9.639
  574    HB2  ASP  74           HB3      ASP  74   4.088  -5.012  10.134
  575    HB3  ASP  74           HB2      ASP  74   2.631  -5.514  11.005
  576    H    LEU  75           H        LEU  75   3.519  -5.067   7.708
  577    HA   LEU  75           HA       LEU  75   1.016  -3.732   7.479
  578    HB2  LEU  75           HB3      LEU  75   3.400  -3.632   5.630
  579    HB3  LEU  75           HB2      LEU  75   1.972  -2.677   5.364
  580    HG   LEU  75           HG       LEU  75   2.393  -1.381   7.444
  581   HD11  LEU  75          HD11      LEU  75   3.392  -2.623   9.052
  582   HD12  LEU  75          HD12      LEU  75   4.820  -1.810   8.390
  583   HD13  LEU  75          HD13      LEU  75   4.446  -3.469   7.920
  584   HD21  LEU  75          HD21      LEU  75   5.052  -1.345   6.392
  585   HD22  LEU  75          HD22      LEU  75   3.830  -0.087   6.414
  586   HD23  LEU  75          HD23      LEU  75   3.820  -1.303   5.130
  587    H    LEU  76           H        LEU  76   2.584  -5.848   5.444
  588    HA   LEU  76           HA       LEU  76   0.600  -6.494   3.458
  589    HB2  LEU  76           HB3      LEU  76   2.774  -7.753   3.398
  590    HB3  LEU  76           HB2      LEU  76   2.108  -8.756   4.734
  591    HG   LEU  76           HG       LEU  76   0.204  -9.101   3.205
  592   HD11  LEU  76          HD11      LEU  76   0.351  -7.629   1.628
  593   HD12  LEU  76          HD12      LEU  76   0.600  -9.188   0.858
  594   HD13  LEU  76          HD13      LEU  76   1.986  -8.110   1.157
  595   HD21  LEU  76          HD21      LEU  76   1.026 -11.096   3.353
  596   HD22  LEU  76          HD22      LEU  76   2.681 -10.491   3.476
  597   HD23  LEU  76          HD23      LEU  76   1.971 -10.787   1.869
  598    H    THR  77           H        THR  77   1.094  -8.097   6.469
  599    HA   THR  77           HA       THR  77  -0.974  -9.788   6.740
  600    HB   THR  77           HB       THR  77   0.137  -7.990   8.844
  601    HG1  THR  77           HG1      THR  77   0.682 -10.737   8.359
  602   HG21  THR  77          HG21      THR  77  -0.726  -9.747  10.423
  603   HG22  THR  77          HG22      THR  77  -1.647 -10.335   8.995
  604   HG23  THR  77          HG23      THR  77  -1.894  -8.684   9.570
  605    H    MET  78           H        MET  78  -0.993  -6.456   7.508
  606    HA   MET  78           HA       MET  78  -3.686  -6.268   8.300
  607    HB2  MET  78           HB3      MET  78  -1.892  -4.099   7.271
  608    HB3  MET  78           HB2      MET  78  -3.489  -3.817   7.928
  609    HG2  MET  78           HG3      MET  78  -1.307  -5.218   9.418
  610    HG3  MET  78           HG2      MET  78  -1.552  -3.460   9.563
  611    HE1  MET  78           HE1      MET  78  -4.647  -6.657  10.497
  612    HE2  MET  78           HE2      MET  78  -3.197  -7.087  11.398
  613    HE3  MET  78           HE3      MET  78  -3.125  -6.923   9.650
  614    H    VAL  79           H        VAL  79  -2.210  -6.042   5.118
  615    HA   VAL  79           HA       VAL  79  -4.525  -5.189   3.688
  616    HB   VAL  79           HB       VAL  79  -2.004  -6.667   2.837
  617   HG11  VAL  79          HG11      VAL  79  -2.671  -6.659   0.748
  618   HG12  VAL  79          HG12      VAL  79  -3.054  -4.947   0.836
  619   HG13  VAL  79          HG13      VAL  79  -4.269  -6.144   1.310
  620   HG21  VAL  79          HG21      VAL  79  -1.266  -4.705   3.787
  621   HG22  VAL  79          HG22      VAL  79  -2.586  -3.756   3.083
  622   HG23  VAL  79          HG23      VAL  79  -1.307  -4.378   2.033
  623    H    VAL  80           H        VAL  80  -2.862  -8.300   4.153
  624    HA   VAL  80           HA       VAL  80  -4.667 -10.080   2.923
  625    HB   VAL  80           HB       VAL  80  -2.842 -10.489   5.348
  626   HG11  VAL  80          HG11      VAL  80  -3.895 -12.658   3.527
  627   HG12  VAL  80          HG12      VAL  80  -4.619 -12.222   5.088
  628   HG13  VAL  80          HG13      VAL  80  -2.957 -12.825   5.024
  629   HG21  VAL  80          HG21      VAL  80  -1.216 -10.167   3.853
  630   HG22  VAL  80          HG22      VAL  80  -2.345 -10.274   2.497
  631   HG23  VAL  80          HG23      VAL  80  -1.663 -11.745   3.206
  632    H    ASP  81           H        ASP  81  -4.435  -9.282   6.142
  633    HA   ASP  81           HA       ASP  81  -6.799 -10.476   7.085
  634    HB2  ASP  81           HB3      ASP  81  -5.365  -8.251   8.508
  635    HB3  ASP  81           HB2      ASP  81  -6.939  -8.808   9.109
  636    H    TYR  82           H        TYR  82  -6.426  -7.345   5.935
  637    HA   TYR  82           HA       TYR  82  -9.028  -6.238   6.228
  638    HB2  TYR  82           HB3      TYR  82  -7.340  -4.836   5.434
  639    HB3  TYR  82           HB2      TYR  82  -6.991  -5.912   4.058
  640    HD1  TYR  82           HD2      TYR  82  -9.786  -3.888   5.536
  641    HD2  TYR  82           HD1      TYR  82  -7.838  -5.406   2.101
  642    HE1  TYR  82           HE2      TYR  82 -11.273  -2.592   4.134
  643    HE2  TYR  82           HE1      TYR  82  -9.319  -4.136   0.652
  644    HH   TYR  82           HH       TYR  82 -10.856  -2.329   0.683
  645    H    ARG  83           H        ARG  83  -7.659  -8.051   3.506
  646    HA   ARG  83           HA       ARG  83  -9.863  -8.084   1.899
  647    HB2  ARG  83           HB3      ARG  83  -7.844  -8.558   0.890
  648    HB3  ARG  83           HB2      ARG  83  -7.337  -9.619   2.159
  649    HG2  ARG  83           HG3      ARG  83  -9.496 -10.477   0.338
  650    HG3  ARG  83           HG2      ARG  83  -7.779 -10.604  -0.202
  651    HD2  ARG  83           HD3      ARG  83  -7.420 -11.868   1.902
  652    HD3  ARG  83           HD2      ARG  83  -9.169 -11.856   2.184
  653    HE   ARG  83           HE       ARG  83  -8.515 -12.840  -0.372
  654   HH11  ARG  83          HH11      ARG  83  -8.671 -13.827   3.061
  655   HH12  ARG  83          HH12      ARG  83  -8.737 -15.494   2.700
  656   HH21  ARG  83          HH22      ARG  83  -8.486 -15.193  -0.807
  657   HH22  ARG  83          HH21      ARG  83  -8.600 -16.291   0.477
  658    H    THR  84           H        THR  84  -8.873 -10.318   4.098
  659    HA   THR  84           HA       THR  84 -11.004 -12.204   3.901
  660    HB   THR  84           HB       THR  84  -9.289 -11.643   6.253
  661    HG1  THR  84           HG1      THR  84  -7.751 -12.460   5.024
  662   HG21  THR  84          HG21      THR  84  -9.733 -13.866   6.910
  663   HG22  THR  84          HG22      THR  84 -10.667 -14.132   5.409
  664   HG23  THR  84          HG23      THR  84 -11.234 -12.942   6.618
  665    H    ARG  85           H        ARG  85 -10.394 -10.216   6.370
  666    HA   ARG  85           HA       ARG  85 -12.609 -10.268   7.962
  667    HB2  ARG  85           HB3      ARG  85 -12.126  -8.218   9.186
  668    HB3  ARG  85           HB2      ARG  85 -10.611  -8.962   8.727
  669    HG2  ARG  85           HG3      ARG  85 -10.537  -7.329   6.783
  670    HG3  ARG  85           HG2      ARG  85 -11.919  -6.526   7.520
  671    HD2  ARG  85           HD3      ARG  85  -9.211  -6.983   8.642
  672    HD3  ARG  85           HD2      ARG  85  -9.949  -5.452   8.097
  673    HE   ARG  85           HE       ARG  85 -11.442  -6.618  10.201
  674   HH11  ARG  85          HH11      ARG  85  -8.443  -4.748   9.674
  675   HH12  ARG  85          HH12      ARG  85  -8.366  -4.227  11.307
  676   HH21  ARG  85          HH22      ARG  85 -11.178  -5.969  12.444
  677   HH22  ARG  85          HH21      ARG  85  -9.886  -4.939  12.884
  678    H    VAL  86           H        VAL  86 -12.161  -7.950   5.686
  679    HA   VAL  86           HA       VAL  86 -14.680  -6.764   5.731
  680    HB   VAL  86           HB       VAL  86 -12.676  -6.688   3.501
  681   HG11  VAL  86          HG11      VAL  86 -15.433  -5.497   3.679
  682   HG12  VAL  86          HG12      VAL  86 -14.551  -6.004   2.239
  683   HG13  VAL  86          HG13      VAL  86 -14.170  -4.471   2.999
  684   HG21  VAL  86          HG21      VAL  86 -13.145  -5.355   6.000
  685   HG22  VAL  86          HG22      VAL  86 -13.051  -4.213   4.653
  686   HG23  VAL  86          HG23      VAL  86 -11.738  -5.355   4.937
  687    H    LEU  87           H        LEU  87 -13.483  -9.401   3.910
  688    HA   LEU  87           HA       LEU  87 -15.579 -10.041   2.126
  689    HB2  LEU  87           HB3      LEU  87 -13.207 -10.827   2.172
  690    HB3  LEU  87           HB2      LEU  87 -13.514 -11.652   3.656
  691    HG   LEU  87           HG       LEU  87 -13.205 -13.185   1.943
  692   HD11  LEU  87          HD11      LEU  87 -15.083 -14.598   2.030
  693   HD12  LEU  87          HD12      LEU  87 -16.133 -13.235   2.455
  694   HD13  LEU  87          HD13      LEU  87 -14.851 -13.757   3.563
  695   HD21  LEU  87          HD21      LEU  87 -13.579 -11.818   0.097
  696   HD22  LEU  87          HD22      LEU  87 -15.324 -11.779   0.345
  697   HD23  LEU  87          HD23      LEU  87 -14.543 -13.305  -0.077
  698    H    LYS  88           H        LYS  88 -14.707 -11.023   5.345
  699    HA   LYS  88           HA       LYS  88 -16.774 -12.711   6.110
  700    HB2  LYS  88           HB3      LYS  88 -14.479 -12.416   7.090
  701    HB3  LYS  88           HB2      LYS  88 -15.000 -10.923   7.784
  702    HG2  LYS  88           HG3      LYS  88 -15.950 -13.676   8.538
  703    HG3  LYS  88           HG2      LYS  88 -14.774 -12.696   9.400
  704    HD2  LYS  88           HD3      LYS  88 -16.561 -11.034   9.834
  705    HD3  LYS  88           HD2      LYS  88 -17.716 -12.118   9.068
  706    HE2  LYS  88           HE3      LYS  88 -16.065 -12.713  11.511
  707    HE3  LYS  88           HE2      LYS  88 -17.799 -12.419  11.473
  708    HZ1  LYS  88           HZ1      LYS  88 -17.949 -14.443   9.975
  709    HZ2  LYS  88           HZ2      LYS  88 -17.477 -14.746  11.586
  710    HZ3  LYS  88           HZ3      LYS  88 -16.316 -14.738  10.414
  711    H    ILE  89           H        ILE  89 -16.489  -9.186   6.448
  712    HA   ILE  89           HA       ILE  89 -18.747  -8.832   8.087
  713    HB   ILE  89           HB       ILE  89 -17.010  -7.168   6.355
  714   HG12  ILE  89          HG13      ILE  89 -17.234  -7.257   9.372
  715   HG13  ILE  89          HG12      ILE  89 -15.957  -7.924   8.379
  716   HG21  ILE  89          HG21      ILE  89 -18.041  -5.113   7.344
  717   HG22  ILE  89          HG22      ILE  89 -19.390  -6.163   7.838
  718   HG23  ILE  89          HG23      ILE  89 -18.938  -6.033   6.126
  719   HD11  ILE  89          HD11      ILE  89 -16.303  -5.237   9.382
  720   HD12  ILE  89          HD12      ILE  89 -16.004  -5.263   7.650
  721   HD13  ILE  89          HD13      ILE  89 -14.852  -6.024   8.719
  722    H    SER  90           H        SER  90 -17.972  -8.436   4.673
  723    HA   SER  90           HA       SER  90 -20.713  -7.845   3.979
  724    HB2  SER  90           HB3      SER  90 -18.223  -8.193   2.317
  725    HB3  SER  90           HB2      SER  90 -19.775  -7.620   1.690
  726    HG   SER  90           HG       SER  90 -17.883  -6.368   3.288
  Start of MODEL   11
    1    H1   MET   1           H        MET   1 -16.045   1.770   1.854
    2    H2   MET   1           H2       MET   1 -15.630   0.782   0.538
    3    H3   MET   1           H3       MET   1 -14.939   0.515   2.034
    4    HA   MET   1           HA       MET   1 -13.438   1.648   0.429
    5    HB2  MET   1           HB3      MET   1 -15.244   4.016   1.042
    6    HB3  MET   1           HB2      MET   1 -13.725   4.080   0.173
    7    HG2  MET   1           HG3      MET   1 -14.732   2.701  -1.609
    8    HG3  MET   1           HG2      MET   1 -16.277   2.801  -0.759
    9    HE1  MET   1           HE1      MET   1 -17.088   5.027   0.170
   10    HE2  MET   1           HE2      MET   1 -17.472   6.293  -0.996
   11    HE3  MET   1           HE3      MET   1 -16.027   6.426   0.005
   12    H    ALA   2           H        ALA   2 -15.159   2.874   3.120
   13    HA   ALA   2           HA       ALA   2 -13.032   4.316   4.317
   14    HB1  ALA   2           HB1      ALA   2 -15.645   3.404   5.388
   15    HB2  ALA   2           HB2      ALA   2 -14.915   5.016   5.444
   16    HB3  ALA   2           HB3      ALA   2 -14.417   3.783   6.597
   17    H    GLU   3           H        GLU   3 -14.090   1.222   5.453
   18    HA   GLU   3           HA       GLU   3 -12.194   0.483   7.130
   19    HB2  GLU   3           HB3      GLU   3 -13.235  -1.165   4.835
   20    HB3  GLU   3           HB2      GLU   3 -12.512  -1.836   6.283
   21    HG2  GLU   3           HG3      GLU   3 -14.209  -1.130   7.624
   22    HG3  GLU   3           HG2      GLU   3 -14.887  -0.013   6.450
   23    H    TYR   4           H        TYR   4 -12.059   0.270   3.918
   24    HA   TYR   4           HA       TYR   4  -9.379  -0.637   3.416
   25    HB2  TYR   4           HB3      TYR   4 -10.923  -0.555   1.521
   26    HB3  TYR   4           HB2      TYR   4 -10.751   1.207   1.400
   27    HD1  TYR   4           HD2      TYR   4  -8.551  -1.817   1.643
   28    HD2  TYR   4           HD1      TYR   4  -9.328   1.853  -0.399
   29    HE1  TYR   4           HE2      TYR   4  -6.693  -2.280   0.119
   30    HE2  TYR   4           HE1      TYR   4  -7.507   1.377  -1.919
   31    HH   TYR   4           HH       TYR   4  -6.261  -0.682  -2.770
   32    H    GLY   5           H        GLY   5 -10.747   2.465   3.473
   33    HA2  GLY   5           HA3      GLY   5  -8.569   4.268   3.220
   34    HA3  GLY   5           HA2      GLY   5  -9.978   4.669   4.193
   35    H    THR   6           H        THR   6  -9.822   2.819   6.311
   36    HA   THR   6           HA       THR   6  -7.712   3.778   7.928
   37    HB   THR   6           HB       THR   6  -9.526   1.395   8.206
   38    HG1  THR   6           HG1      THR   6  -9.825   4.157   8.760
   39   HG21  THR   6          HG21      THR   6  -8.223   3.151  10.241
   40   HG22  THR   6          HG22      THR   6  -7.644   1.553   9.733
   41   HG23  THR   6          HG23      THR   6  -9.216   1.704  10.550
   42    H    LEU   7           H        LEU   7  -8.340   0.787   6.365
   43    HA   LEU   7           HA       LEU   7  -6.119  -0.817   6.986
   44    HB2  LEU   7           HB3      LEU   7  -7.610  -1.717   5.350
   45    HB3  LEU   7           HB2      LEU   7  -7.129  -0.498   4.173
   46    HG   LEU   7           HG       LEU   7  -4.851  -1.393   4.250
   47   HD11  LEU   7          HD11      LEU   7  -4.702  -3.816   5.051
   48   HD12  LEU   7          HD12      LEU   7  -6.078  -3.366   6.063
   49   HD13  LEU   7          HD13      LEU   7  -4.562  -2.479   6.190
   50   HD21  LEU   7          HD21      LEU   7  -7.134  -2.361   2.949
   51   HD22  LEU   7          HD22      LEU   7  -6.097  -3.755   3.266
   52   HD23  LEU   7          HD23      LEU   7  -5.469  -2.376   2.369
   53    H    LEU   8           H        LEU   8  -6.146   1.323   4.455
   54    HA   LEU   8           HA       LEU   8  -3.364   1.431   3.740
   55    HB2  LEU   8           HB3      LEU   8  -5.393   3.642   3.387
   56    HB3  LEU   8           HB2      LEU   8  -3.682   3.817   2.968
   57    HG   LEU   8           HG       LEU   8  -3.891   2.207   1.192
   58   HD11  LEU   8          HD11      LEU   8  -6.773   1.806   1.732
   59   HD12  LEU   8          HD12      LEU   8  -5.560   0.806   2.534
   60   HD13  LEU   8          HD13      LEU   8  -5.656   0.840   0.769
   61   HD21  LEU   8          HD21      LEU   8  -6.368   3.439   0.452
   62   HD22  LEU   8          HD22      LEU   8  -4.730   3.731  -0.135
   63   HD23  LEU   8          HD23      LEU   8  -5.320   4.594   1.279
   64    H    GLN   9           H        GLN   9  -5.110   3.168   6.051
   65    HA   GLN   9           HA       GLN   9  -3.040   4.761   7.125
   66    HB2  GLN   9           HB3      GLN   9  -5.165   5.670   7.024
   67    HB3  GLN   9           HB2      GLN   9  -5.901   4.197   7.620
   68    HG2  GLN   9           HG3      GLN   9  -5.473   4.530   9.570
   69    HG3  GLN   9           HG2      GLN   9  -4.115   5.731   9.414
   70   HE21  GLN   9          HE22      GLN   9  -4.722   7.817   9.200
   71   HE22  GLN   9          HE21      GLN   9  -6.357   8.395   9.353
   72    H    ASP  10           H        ASP  10  -4.124   1.751   7.647
   73    HA   ASP  10           HA       ASP  10  -3.322   1.242  10.427
   74    HB2  ASP  10           HB3      ASP  10  -4.222  -0.704   8.295
   75    HB3  ASP  10           HB2      ASP  10  -3.587  -1.255   9.834
   76    H    LEU  11           H        LEU  11  -2.086   0.624   7.193
   77    HA   LEU  11           HA       LEU  11   0.303  -0.421   8.259
   78    HB2  LEU  11           HB3      LEU  11   0.999  -0.701   6.004
   79    HB3  LEU  11           HB2      LEU  11  -0.476  -1.604   6.374
   80    HG   LEU  11           HG       LEU  11  -1.493   0.557   5.301
   81   HD11  LEU  11          HD11      LEU  11  -0.180   1.870   4.159
   82   HD12  LEU  11          HD12      LEU  11   0.710   0.536   3.420
   83   HD13  LEU  11          HD13      LEU  11   1.124   1.096   5.046
   84   HD21  LEU  11          HD21      LEU  11  -1.938  -0.704   3.401
   85   HD22  LEU  11          HD22      LEU  11  -1.579  -1.921   4.630
   86   HD23  LEU  11          HD23      LEU  11  -0.358  -1.496   3.434
   87    H    THR  12           H        THR  12  -0.948   2.440   7.078
   88    HA   THR  12           HA       THR  12   1.408   3.988   6.633
   89    HB   THR  12           HB       THR  12  -1.457   4.710   7.110
   90    HG1  THR  12           HG1      THR  12  -1.163   3.929   5.129
   91   HG21  THR  12          HG21      THR  12  -0.223   6.772   5.879
   92   HG22  THR  12          HG22      THR  12   0.756   6.434   7.355
   93   HG23  THR  12          HG23      THR  12  -1.025   6.713   7.487
   94    H    ASN  13           H        ASN  13  -0.565   3.374   9.481
   95    HA   ASN  13           HA       ASN  13   0.880   5.133  11.231
   96    HB2  ASN  13           HB3      ASN  13  -0.782   2.695  11.968
   97    HB3  ASN  13           HB2      ASN  13  -0.001   3.728  13.157
   98   HD21  ASN  13          HD22      ASN  13  -2.851   3.057  11.905
   99   HD22  ASN  13          HD21      ASN  13  -3.641   4.579  11.996
  100    H    ASN  14           H        ASN  14   1.425   1.975  10.088
  101    HA   ASN  14           HA       ASN  14   3.727   1.597  11.845
  102    HB2  ASN  14           HB3      ASN  14   2.443  -0.245   9.805
  103    HB3  ASN  14           HB2      ASN  14   3.902  -0.632  10.697
  104   HD21  ASN  14          HD22      ASN  14   0.519  -0.779  10.802
  105   HD22  ASN  14          HD21      ASN  14   0.395  -1.195  12.469
  106    H    ILE  15           H        ILE  15   3.144   3.174   9.087
  107    HA   ILE  15           HA       ILE  15   5.487   2.366   7.714
  108    HB   ILE  15           HB       ILE  15   3.291   4.264   7.048
  109   HG12  ILE  15          HG13      ILE  15   3.190   1.933   6.450
  110   HG13  ILE  15          HG12      ILE  15   3.205   2.986   5.020
  111   HG21  ILE  15          HG21      ILE  15   5.778   4.237   5.409
  112   HG22  ILE  15          HG22      ILE  15   5.351   5.535   6.545
  113   HG23  ILE  15          HG23      ILE  15   4.288   5.156   5.164
  114   HD11  ILE  15          HD11      ILE  15   4.885   0.826   5.501
  115   HD12  ILE  15          HD12      ILE  15   5.889   2.254   5.784
  116   HD13  ILE  15          HD13      ILE  15   5.040   2.077   4.258
  117    H    THR  16           H        THR  16   7.328   2.963   8.340
  118    HA   THR  16           HA       THR  16   7.807   5.561   9.432
  119    HB   THR  16           HB       THR  16  10.069   4.830   9.698
  120    HG1  THR  16           HG1      THR  16   9.543   2.178   9.073
  121   HG21  THR  16          HG21      THR  16   8.470   2.563  10.620
  122   HG22  THR  16          HG22      THR  16   8.194   4.204  11.247
  123   HG23  THR  16          HG23      THR  16   9.813   3.445  11.432
  124    H    LEU  17           H        LEU  17   9.202   6.631   8.383
  125    HA   LEU  17           HA       LEU  17   9.101   6.919   5.516
  126    HB2  LEU  17           HB3      LEU  17  11.437   7.743   7.228
  127    HB3  LEU  17           HB2      LEU  17  11.376   8.035   5.512
  128    HG   LEU  17           HG       LEU  17   9.449   9.222   7.514
  129   HD11  LEU  17          HD11      LEU  17  11.674  10.162   7.726
  130   HD12  LEU  17          HD12      LEU  17  10.616  11.305   6.893
  131   HD13  LEU  17          HD13      LEU  17  11.784  10.374   5.974
  132   HD21  LEU  17          HD21      LEU  17   8.196   9.281   5.689
  133   HD22  LEU  17          HD22      LEU  17   9.553   8.980   4.606
  134   HD23  LEU  17          HD23      LEU  17   9.263  10.609   5.228
  135    H    GLU  18           H        GLU  18  11.501   5.249   7.441
  136    HA   GLU  18           HA       GLU  18  13.017   4.226   5.340
  137    HB2  GLU  18           HB3      GLU  18  12.623   3.028   8.083
  138    HB3  GLU  18           HB2      GLU  18  13.953   2.678   6.971
  139    HG2  GLU  18           HG3      GLU  18  14.715   4.953   7.076
  140    HG3  GLU  18           HG2      GLU  18  13.367   5.414   8.113
  141    H    ASP  19           H        ASP  19  10.595   2.617   7.146
  142    HA   ASP  19           HA       ASP  19  10.446   0.197   5.614
  143    HB2  ASP  19           HB3      ASP  19   8.194   1.491   7.234
  144    HB3  ASP  19           HB2      ASP  19   8.015  -0.114   6.486
  145    H    LEU  20           H        LEU  20   8.333   2.994   5.201
  146    HA   LEU  20           HA       LEU  20   7.256   2.265   2.762
  147    HB2  LEU  20           HB3      LEU  20   6.936   4.562   4.078
  148    HB3  LEU  20           HB2      LEU  20   8.271   4.961   2.968
  149    HG   LEU  20           HG       LEU  20   7.088   4.467   1.064
  150   HD11  LEU  20          HD11      LEU  20   4.415   4.188   2.158
  151   HD12  LEU  20          HD12      LEU  20   5.472   2.844   2.590
  152   HD13  LEU  20          HD13      LEU  20   5.222   3.241   0.908
  153   HD21  LEU  20          HD21      LEU  20   5.540   6.245   2.929
  154   HD22  LEU  20          HD22      LEU  20   5.392   6.237   1.176
  155   HD23  LEU  20          HD23      LEU  20   6.925   6.701   1.928
  156    H    GLU  21           H        GLU  21  10.387   3.727   3.259
  157    HA   GLU  21           HA       GLU  21  11.135   4.128   0.603
  158    HB2  GLU  21           HB3      GLU  21  12.939   3.292   2.904
  159    HB3  GLU  21           HB2      GLU  21  13.526   3.766   1.324
  160    HG2  GLU  21           HG3      GLU  21  11.825   5.467   3.081
  161    HG3  GLU  21           HG2      GLU  21  13.603   5.574   3.068
  162    H    GLN  22           H        GLN  22  11.194   1.517   2.597
  163    HA   GLN  22           HA       GLN  22  12.554  -0.351   0.934
  164    HB2  GLN  22           HB3      GLN  22  12.304  -0.692   3.414
  165    HB3  GLN  22           HB2      GLN  22  10.614  -1.102   3.106
  166    HG2  GLN  22           HG3      GLN  22  11.784  -3.192   3.213
  167    HG3  GLN  22           HG2      GLN  22  11.388  -2.761   1.540
  168   HE21  GLN  22          HE22      GLN  22  12.689  -3.010   0.220
  169   HE22  GLN  22          HE21      GLN  22  14.431  -2.944   0.321
  170    H    LEU  23           H        LEU  23   8.989   0.199   1.491
  171    HA   LEU  23           HA       LEU  23   8.061  -1.627  -0.348
  172    HB2  LEU  23           HB3      LEU  23   7.042   1.060   0.570
  173    HB3  LEU  23           HB2      LEU  23   6.099  -0.112  -0.345
  174    HG   LEU  23           HG       LEU  23   7.206  -0.530   2.419
  175   HD11  LEU  23          HD11      LEU  23   4.832  -0.349   3.073
  176   HD12  LEU  23          HD12      LEU  23   4.464   0.186   1.427
  177   HD13  LEU  23          HD13      LEU  23   5.507   1.151   2.458
  178   HD21  LEU  23          HD21      LEU  23   5.015  -2.210   1.527
  179   HD22  LEU  23          HD22      LEU  23   6.549  -2.655   2.274
  180   HD23  LEU  23          HD23      LEU  23   6.456  -2.397   0.532
  181    H    LYS  24           H        LYS  24   8.982   1.562  -0.553
  182    HA   LYS  24           HA       LYS  24   8.374   1.970  -3.314
  183    HB2  LYS  24           HB3      LYS  24  10.522   3.574  -1.869
  184    HB3  LYS  24           HB2      LYS  24   9.841   3.997  -3.419
  185    HG2  LYS  24           HG3      LYS  24   7.558   3.984  -2.139
  186    HG3  LYS  24           HG2      LYS  24   8.576   4.215  -0.692
  187    HD2  LYS  24           HD3      LYS  24   8.553   5.938  -3.178
  188    HD3  LYS  24           HD2      LYS  24   7.837   6.327  -1.617
  189    HE2  LYS  24           HE3      LYS  24  10.785   5.926  -2.088
  190    HE3  LYS  24           HE2      LYS  24   9.958   7.472  -2.072
  191    HZ1  LYS  24           HZ1      LYS  24  11.071   6.277  -0.015
  192    HZ2  LYS  24           HZ2      LYS  24   9.469   5.848   0.274
  193    HZ3  LYS  24           HZ3      LYS  24   9.936   7.485   0.157
  194    H    SER  25           H        SER  25  10.987   1.163  -1.908
  195    HA   SER  25           HA       SER  25  12.972   0.533  -3.917
  196    HB2  SER  25           HB3      SER  25  12.790  -1.120  -1.332
  197    HB3  SER  25           HB2      SER  25  14.146  -1.187  -2.456
  198    HG   SER  25           HG       SER  25  13.252   1.159  -1.106
  199    H    ALA  26           H        ALA  26  10.743  -1.449  -2.494
  200    HA   ALA  26           HA       ALA  26  10.842  -3.688  -4.262
  201    HB1  ALA  26           HB1      ALA  26   9.481  -4.409  -2.609
  202    HB2  ALA  26           HB2      ALA  26   8.189  -3.567  -3.471
  203    HB3  ALA  26           HB3      ALA  26   9.044  -2.760  -2.159
  204    H    CYS  27           H        CYS  27   8.730  -0.796  -4.239
  205    HA   CYS  27           HA       CYS  27   7.433  -1.363  -6.666
  206    HB2  CYS  27           HB3      CYS  27   7.720   1.333  -5.403
  207    HB3  CYS  27           HB2      CYS  27   6.574   0.728  -6.613
  208    HG   CYS  27           HG       CYS  27   6.754  -0.401  -3.408
  209    H    LYS  28           H        LYS  28  10.590  -0.476  -6.426
  210    HA   LYS  28           HA       LYS  28  11.136   1.780  -7.662
  211    HB2  LYS  28           HB3      LYS  28  13.247   0.689  -8.559
  212    HB3  LYS  28           HB2      LYS  28  12.870   0.265  -6.890
  213    HG2  LYS  28           HG3      LYS  28  11.929  -1.877  -7.614
  214    HG3  LYS  28           HG2      LYS  28  12.108  -1.410  -9.274
  215    HD2  LYS  28           HD3      LYS  28  14.559  -1.507  -9.039
  216    HD3  LYS  28           HD2      LYS  28  14.350  -2.012  -7.347
  217    HE2  LYS  28           HE3      LYS  28  13.115  -3.962  -8.027
  218    HE3  LYS  28           HE2      LYS  28  13.186  -3.454  -9.717
  219    HZ1  LYS  28           HZ1      LYS  28  15.800  -3.833  -8.450
  220    HZ2  LYS  28           HZ2      LYS  28  15.200  -4.281  -9.952
  221    HZ3  LYS  28           HZ3      LYS  28  14.860  -5.212  -8.631
  222    H    GLU  29           H        GLU  29  10.303  -1.125  -9.429
  223    HA   GLU  29           HA       GLU  29  10.623  -0.012 -12.009
  224    HB2  GLU  29           HB3      GLU  29   9.395  -2.573 -11.068
  225    HB3  GLU  29           HB2      GLU  29   9.697  -2.167 -12.761
  226    HG2  GLU  29           HG3      GLU  29  12.063  -1.985 -12.339
  227    HG3  GLU  29           HG2      GLU  29  11.812  -2.249 -10.622
  228    H    ASP  30           H        ASP  30   7.805  -0.558  -9.956
  229    HA   ASP  30           HA       ASP  30   6.045   0.104 -12.127
  230    HB2  ASP  30           HB3      ASP  30   5.461  -0.706  -9.306
  231    HB3  ASP  30           HB2      ASP  30   4.207  -0.227 -10.435
  232    H    ILE  31           H        ILE  31   6.914   1.741  -9.131
  233    HA   ILE  31           HA       ILE  31   5.015   3.791  -9.883
  234    HB   ILE  31           HB       ILE  31   5.177   2.812  -7.544
  235   HG12  ILE  31          HG13      ILE  31   4.124   4.988  -7.838
  236   HG13  ILE  31          HG12      ILE  31   4.879   4.778  -6.243
  237   HG21  ILE  31          HG21      ILE  31   7.741   4.245  -7.481
  238   HG22  ILE  31          HG22      ILE  31   7.362   2.519  -7.130
  239   HG23  ILE  31          HG23      ILE  31   6.775   3.825  -6.050
  240   HD11  ILE  31          HD11      ILE  31   5.093   6.987  -7.834
  241   HD12  ILE  31          HD12      ILE  31   6.535   6.042  -8.261
  242   HD13  ILE  31          HD13      ILE  31   6.214   6.517  -6.563
  243    HA   PRO  32           HA       PRO  32   8.046   5.836 -12.014
  244    HB2  PRO  32           HB2      PRO  32   6.685   8.423 -11.394
  245    HB3  PRO  32           HB3      PRO  32   7.112   7.737 -12.969
  246    HG2  PRO  32           HG3      PRO  32   4.595   7.658 -12.117
  247    HG3  PRO  32           HG2      PRO  32   5.329   6.311 -12.999
  248    HD2  PRO  32           HD3      PRO  32   4.861   6.642 -10.101
  249    HD3  PRO  32           HD2      PRO  32   4.576   5.188 -11.108
  250    H    SER  33           H        SER  33   9.812   6.640 -11.645
  251    HA   SER  33           HA       SER  33  11.037   7.003  -9.108
  252    HB2  SER  33           HB3      SER  33  12.408   6.602 -11.147
  253    HB3  SER  33           HB2      SER  33  12.201   8.260 -11.662
  254    HG   SER  33           HG       SER  33  13.182   8.571  -9.296
  255    H    GLU  34           H        GLU  34  10.197   9.451 -11.348
  256    HA   GLU  34           HA       GLU  34  10.461  11.984 -10.094
  257    HB2  GLU  34           HB3      GLU  34   9.469  11.678 -12.330
  258    HB3  GLU  34           HB2      GLU  34   7.979  11.115 -11.602
  259    HG2  GLU  34           HG3      GLU  34   7.655  13.398 -12.206
  260    HG3  GLU  34           HG2      GLU  34   7.824  13.204 -10.444
  261    H    LYS  35           H        LYS  35   7.921   9.930  -9.782
  262    HA   LYS  35           HA       LYS  35   6.650  11.329  -7.625
  263    HB2  LYS  35           HB3      LYS  35   5.903   8.846  -9.091
  264    HB3  LYS  35           HB2      LYS  35   4.989   9.357  -7.658
  265    HG2  LYS  35           HG3      LYS  35   5.614  11.205  -9.914
  266    HG3  LYS  35           HG2      LYS  35   4.164  10.170  -9.858
  267    HD2  LYS  35           HD3      LYS  35   3.374  11.138  -7.913
  268    HD3  LYS  35           HD2      LYS  35   4.917  11.850  -7.482
  269    HE2  LYS  35           HE3      LYS  35   3.241  12.792  -9.820
  270    HE3  LYS  35           HE2      LYS  35   3.134  13.491  -8.209
  271    HZ1  LYS  35           HZ1      LYS  35   5.356  14.074  -8.249
  272    HZ2  LYS  35           HZ2      LYS  35   4.668  14.755  -9.596
  273    HZ3  LYS  35           HZ3      LYS  35   5.676  13.404  -9.754
  274    H    SER  36           H        SER  36   8.219   8.138  -7.630
  275    HA   SER  36           HA       SER  36   8.035   7.613  -4.980
  276    HB2  SER  36           HB3      SER  36   8.865   6.081  -6.636
  277    HB3  SER  36           HB2      SER  36  10.327   7.044  -6.889
  278    HG   SER  36           HG       SER  36  11.102   5.775  -5.432
  279    H    GLU  37           H        GLU  37   9.903   9.883  -6.492
  280    HA   GLU  37           HA       GLU  37  11.990  10.442  -4.722
  281    HB2  GLU  37           HB3      GLU  37  10.495  12.577  -6.265
  282    HB3  GLU  37           HB2      GLU  37  12.020  12.826  -5.450
  283    HG2  GLU  37           HG3      GLU  37  11.531  10.839  -7.581
  284    HG3  GLU  37           HG2      GLU  37  12.137  12.470  -7.954
  285    H    GLU  38           H        GLU  38   8.771  12.189  -4.807
  286    HA   GLU  38           HA       GLU  38   9.201  13.414  -2.379
  287    HB2  GLU  38           HB3      GLU  38   7.094  14.400  -2.968
  288    HB3  GLU  38           HB2      GLU  38   8.270  14.454  -4.283
  289    HG2  GLU  38           HG3      GLU  38   7.091  12.464  -5.289
  290    HG3  GLU  38           HG2      GLU  38   5.881  12.614  -4.054
  291    H    ILE  39           H        ILE  39   8.531  10.346  -2.541
  292    HA   ILE  39           HA       ILE  39   6.056  10.393  -1.124
  293    HB   ILE  39           HB       ILE  39   7.606   8.045  -2.156
  294   HG12  ILE  39          HG13      ILE  39   4.877   9.101  -2.906
  295   HG13  ILE  39          HG12      ILE  39   6.365   9.473  -3.813
  296   HG21  ILE  39          HG21      ILE  39   6.413   7.313  -0.122
  297   HG22  ILE  39          HG22      ILE  39   5.602   6.720  -1.577
  298   HG23  ILE  39          HG23      ILE  39   4.950   8.130  -0.710
  299   HD11  ILE  39          HD11      ILE  39   4.589   7.624  -4.326
  300   HD12  ILE  39          HD12      ILE  39   5.682   6.681  -3.305
  301   HD13  ILE  39          HD13      ILE  39   6.300   7.526  -4.761
  302    H    THR  40           H        THR  40   7.103  11.666   0.523
  303    HA   THR  40           HA       THR  40   8.455  10.174   2.598
  304    HB   THR  40           HB       THR  40   9.360  12.311   2.233
  305    HG1  THR  40           HG1      THR  40   8.006  12.067   4.597
  306   HG21  THR  40          HG21      THR  40   8.151  13.934   1.290
  307   HG22  THR  40          HG22      THR  40   7.294  14.182   2.822
  308   HG23  THR  40          HG23      THR  40   6.681  13.034   1.629
  309    H    THR  41           H        THR  41   5.597   9.591   2.068
  310    HA   THR  41           HA       THR  41   5.025   8.985   4.648
  311    HB   THR  41           HB       THR  41   4.259  11.166   4.997
  312    HG1  THR  41           HG1      THR  41   2.882  10.202   6.247
  313   HG21  THR  41          HG21      THR  41   2.882  10.846   2.482
  314   HG22  THR  41          HG22      THR  41   3.420  12.317   3.282
  315   HG23  THR  41          HG23      THR  41   1.858  11.612   3.700
  316    H    GLY  42           H        GLY  42   3.335   7.667   4.982
  317    HA2  GLY  42           HA3      GLY  42   3.149   5.773   2.866
  318    HA3  GLY  42           HA2      GLY  42   2.179   5.655   4.351
  319    H    SER  43           H        SER  43   0.466   7.956   4.286
  320    HA   SER  43           HA       SER  43  -1.422   7.409   2.598
  321    HB2  SER  43           HB3      SER  43  -0.545  10.063   3.777
  322    HB3  SER  43           HB2      SER  43  -2.171   9.639   3.233
  323    HG   SER  43           HG       SER  43  -2.487   8.703   5.073
  324    H    ALA  44           H        ALA  44   1.219   9.506   2.195
  325    HA   ALA  44           HA       ALA  44   0.582  10.951  -0.176
  326    HB1  ALA  44           HB1      ALA  44   3.001  10.662   1.213
  327    HB2  ALA  44           HB2      ALA  44   2.659  11.780  -0.103
  328    HB3  ALA  44           HB3      ALA  44   3.358  10.202  -0.455
  329    H    TRP  45           H        TRP  45   2.303   7.906   0.036
  330    HA   TRP  45           HA       TRP  45   2.377   7.424  -2.723
  331    HB2  TRP  45           HB3      TRP  45   3.847   6.372  -1.005
  332    HB3  TRP  45           HB2      TRP  45   2.434   5.500  -0.440
  333    HD1  TRP  45           HD1      TRP  45   3.782   5.915  -4.089
  334    HE1  TRP  45           HE1      TRP  45   3.867   3.466  -5.051
  335    HE3  TRP  45           HE3      TRP  45   2.328   3.259   0.009
  336    HZ2  TRP  45           HZ2      TRP  45   3.454   0.955  -4.258
  337    HZ3  TRP  45           HZ3      TRP  45   2.204   0.836  -0.173
  338    HH2  TRP  45           HH2      TRP  45   2.788  -0.286  -2.327
  339    H    PHE  46           H        PHE  46  -0.108   6.407  -0.291
  340    HA   PHE  46           HA       PHE  46  -1.396   4.853  -2.214
  341    HB2  PHE  46           HB3      PHE  46  -2.480   6.270   0.225
  342    HB3  PHE  46           HB2      PHE  46  -3.403   5.167  -0.783
  343    HD1  PHE  46           HD1      PHE  46  -2.180   2.911  -1.235
  344    HD2  PHE  46           HD2      PHE  46  -1.555   5.391   2.197
  345    HE1  PHE  46           HE1      PHE  46  -1.532   0.955   0.042
  346    HE2  PHE  46           HE2      PHE  46  -0.912   3.403   3.499
  347    HZ   PHE  46           HZ       PHE  46  -0.891   1.169   2.369
  348    H    SER  47           H        SER  47  -1.702   7.946  -1.087
  349    HA   SER  47           HA       SER  47  -3.736   8.998  -2.779
  350    HB2  SER  47           HB3      SER  47  -1.516  10.623  -1.536
  351    HB3  SER  47           HB2      SER  47  -2.979  11.308  -2.247
  352    HG   SER  47           HG       SER  47  -3.515  11.138  -0.122
  353    H    PHE  48           H        PHE  48  -0.330   8.670  -3.518
  354    HA   PHE  48           HA       PHE  48  -0.453  10.030  -6.029
  355    HB2  PHE  48           HB3      PHE  48   1.728   9.595  -5.080
  356    HB3  PHE  48           HB2      PHE  48   1.323   7.880  -4.887
  357    HD1  PHE  48           HD1      PHE  48   1.337  10.403  -7.696
  358    HD2  PHE  48           HD2      PHE  48   2.121   6.485  -6.334
  359    HE1  PHE  48           HE1      PHE  48   1.992   9.779  -9.922
  360    HE2  PHE  48           HE2      PHE  48   2.832   5.839  -8.657
  361    HZ   PHE  48           HZ       PHE  48   2.762   7.514 -10.418
  362    H    LEU  49           H        LEU  49  -0.414   6.591  -4.993
  363    HA   LEU  49           HA       LEU  49  -0.645   5.375  -7.304
  364    HB2  LEU  49           HB3      LEU  49  -0.374   4.817  -4.790
  365    HB3  LEU  49           HB2      LEU  49  -2.105   4.456  -4.921
  366    HG   LEU  49           HG       LEU  49  -1.500   2.391  -6.375
  367   HD11  LEU  49          HD11      LEU  49   1.110   2.259  -6.446
  368   HD12  LEU  49          HD12      LEU  49   0.952   4.015  -6.517
  369   HD13  LEU  49          HD13      LEU  49   0.170   3.014  -7.736
  370   HD21  LEU  49          HD21      LEU  49  -0.769   1.260  -4.590
  371   HD22  LEU  49          HD22      LEU  49  -0.868   2.776  -3.708
  372   HD23  LEU  49          HD23      LEU  49   0.651   2.282  -4.425
  373    H    GLU  50           H        GLU  50  -3.144   6.073  -5.057
  374    HA   GLU  50           HA       GLU  50  -5.689   5.782  -6.346
  375    HB2  GLU  50           HB3      GLU  50  -4.905   7.784  -4.266
  376    HB3  GLU  50           HB2      GLU  50  -6.476   7.966  -5.011
  377    HG2  GLU  50           HG3      GLU  50  -5.595   5.433  -3.662
  378    HG3  GLU  50           HG2      GLU  50  -6.368   6.761  -2.793
  379    H    SER  51           H        SER  51  -3.826   8.383  -6.345
  380    HA   SER  51           HA       SER  51  -5.232  10.166  -8.126
  381    HB2  SER  51           HB3      SER  51  -2.209  10.108  -7.942
  382    HB3  SER  51           HB2      SER  51  -3.106  11.337  -8.837
  383    HG   SER  51           HG       SER  51  -3.267  10.751  -6.079
  384    H    HIS  52           H        HIS  52  -3.241   7.432  -8.861
  385    HA   HIS  52           HA       HIS  52  -3.881   7.763 -11.702
  386    HB2  HIS  52           HB3      HIS  52  -1.657   6.188 -10.443
  387    HB3  HIS  52           HB2      HIS  52  -2.033   6.010 -12.176
  388    HD1  HIS  52           HD1      HIS  52   0.298   7.003 -12.936
  389    HD2  HIS  52           HD2      HIS  52  -1.745   9.135 -10.098
  390    HE1  HIS  52           HE1      HIS  52   1.607   9.132 -12.712
  391    H    ASN  53           H        ASN  53  -3.971   5.439 -12.754
  392    HA   ASN  53           HA       ASN  53  -6.133   4.168 -11.302
  393    HB2  ASN  53           HB3      ASN  53  -5.150   3.814 -14.142
  394    HB3  ASN  53           HB2      ASN  53  -6.460   2.862 -13.437
  395   HD21  ASN  53          HD22      ASN  53  -5.811   5.528 -15.321
  396   HD22  ASN  53          HD21      ASN  53  -7.275   6.382 -15.036
  397    H    LYS  54           H        LYS  54  -3.806   3.832 -10.021
  398    HA   LYS  54           HA       LYS  54  -2.999   1.083 -10.689
  399    HB2  LYS  54           HB3      LYS  54  -1.509   2.848  -8.747
  400    HB3  LYS  54           HB2      LYS  54  -1.037   1.255  -9.296
  401    HG2  LYS  54           HG3      LYS  54  -0.899   3.865 -10.853
  402    HG3  LYS  54           HG2      LYS  54   0.342   2.713 -10.352
  403    HD2  LYS  54           HD3      LYS  54  -1.756   2.003 -12.383
  404    HD3  LYS  54           HD2      LYS  54  -0.172   2.654 -12.777
  405    HE2  LYS  54           HE3      LYS  54   0.882   0.775 -11.701
  406    HE3  LYS  54           HE2      LYS  54  -0.699   0.105 -11.271
  407    HZ1  LYS  54           HZ1      LYS  54   0.601   0.286 -13.920
  408    HZ2  LYS  54           HZ2      LYS  54  -1.089   0.202 -13.834
  409    HZ3  LYS  54           HZ3      LYS  54  -0.104  -1.010 -13.166
  410    H    LEU  55           H        LEU  55  -4.831   2.877  -8.439
  411    HA   LEU  55           HA       LEU  55  -5.432   0.474  -7.002
  412    HB2  LEU  55           HB3      LEU  55  -3.367   0.968  -5.847
  413    HB3  LEU  55           HB2      LEU  55  -3.791   2.640  -5.637
  414    HG   LEU  55           HG       LEU  55  -5.246   0.384  -4.136
  415   HD11  LEU  55          HD11      LEU  55  -3.376   0.157  -2.934
  416   HD12  LEU  55          HD12      LEU  55  -3.666   1.772  -2.323
  417   HD13  LEU  55          HD13      LEU  55  -2.604   1.533  -3.710
  418   HD21  LEU  55          HD21      LEU  55  -6.359   1.981  -3.051
  419   HD22  LEU  55          HD22      LEU  55  -5.884   3.041  -4.379
  420   HD23  LEU  55          HD23      LEU  55  -4.930   3.011  -2.899
  421    H    ASP  56           H        ASP  56  -7.324   0.555  -7.046
  422    HA   ASP  56           HA       ASP  56  -9.100   2.752  -6.477
  423    HB2  ASP  56           HB3      ASP  56  -9.668  -0.179  -6.844
  424    HB3  ASP  56           HB2      ASP  56 -10.870   0.979  -6.366
  425    H    LYS  57           H        LYS  57 -10.645   2.568  -4.949
  426    HA   LYS  57           HA       LYS  57  -9.990   2.144  -2.205
  427    HB2  LYS  57           HB3      LYS  57 -12.335   2.377  -1.733
  428    HB3  LYS  57           HB2      LYS  57 -12.013   3.456  -3.082
  429    HG2  LYS  57           HG3      LYS  57 -13.119   0.697  -3.297
  430    HG3  LYS  57           HG2      LYS  57 -14.133   2.159  -3.327
  431    HD2  LYS  57           HD3      LYS  57 -12.907   2.867  -5.329
  432    HD3  LYS  57           HD2      LYS  57 -11.939   1.387  -5.097
  433    HE2  LYS  57           HE3      LYS  57 -13.677   1.191  -6.960
  434    HE3  LYS  57           HE2      LYS  57 -13.708  -0.034  -5.688
  435    HZ1  LYS  57           HZ1      LYS  57 -15.872   0.898  -6.473
  436    HZ2  LYS  57           HZ2      LYS  57 -15.563   2.303  -5.584
  437    HZ3  LYS  57           HZ3      LYS  57 -15.624   0.781  -4.834
  438    H    ASP  58           H        ASP  58 -10.801   0.000  -4.797
  439    HA   ASP  58           HA       ASP  58 -11.883  -2.173  -3.182
  440    HB2  ASP  58           HB3      ASP  58 -13.018  -1.277  -5.171
  441    HB3  ASP  58           HB2      ASP  58 -11.602  -1.622  -6.130
  442    H    ASN  59           H        ASN  59  -9.511  -1.355  -5.506
  443    HA   ASN  59           HA       ASN  59  -8.353  -3.993  -5.457
  444    HB2  ASN  59           HB3      ASN  59  -7.803  -1.586  -7.134
  445    HB3  ASN  59           HB2      ASN  59  -6.964  -3.139  -7.333
  446   HD21  ASN  59          HD22      ASN  59  -9.736  -1.345  -8.211
  447   HD22  ASN  59          HD21      ASN  59 -10.619  -2.650  -8.826
  448    H    LEU  60           H        LEU  60  -6.949  -4.633  -4.332
  449    HA   LEU  60           HA       LEU  60  -5.040  -2.881  -2.987
  450    HB2  LEU  60           HB3      LEU  60  -4.786  -4.559  -1.238
  451    HB3  LEU  60           HB2      LEU  60  -6.439  -4.022  -1.404
  452    HG   LEU  60           HG       LEU  60  -5.319  -6.692  -2.316
  453   HD11  LEU  60          HD11      LEU  60  -5.675  -7.363  -0.238
  454   HD12  LEU  60          HD12      LEU  60  -7.379  -6.925  -0.383
  455   HD13  LEU  60          HD13      LEU  60  -6.217  -5.748   0.213
  456   HD21  LEU  60          HD21      LEU  60  -7.993  -7.078  -2.282
  457   HD22  LEU  60          HD22      LEU  60  -7.103  -6.553  -3.727
  458   HD23  LEU  60          HD23      LEU  60  -7.904  -5.367  -2.717
  459    H    SER  61           H        SER  61  -5.270  -5.440  -5.033
  460    HA   SER  61           HA       SER  61  -3.106  -7.016  -4.728
  461    HB2  SER  61           HB3      SER  61  -3.179  -7.582  -7.194
  462    HB3  SER  61           HB2      SER  61  -4.732  -7.634  -6.374
  463    HG   SER  61           HG       SER  61  -4.035  -6.208  -8.459
  464    H    TYR  62           H        TYR  62  -2.970  -4.076  -6.321
  465    HA   TYR  62           HA       TYR  62  -0.312  -4.089  -7.348
  466    HB2  TYR  62           HB3      TYR  62  -1.894  -2.190  -7.756
  467    HB3  TYR  62           HB2      TYR  62  -1.726  -1.699  -6.060
  468    HD1  TYR  62           HD1      TYR  62   0.265  -0.594  -5.292
  469    HD2  TYR  62           HD2      TYR  62  -0.069  -1.772  -9.353
  470    HE1  TYR  62           HE1      TYR  62   2.311   0.576  -5.743
  471    HE2  TYR  62           HE2      TYR  62   1.944  -0.417  -9.886
  472    HH   TYR  62           HH       TYR  62   4.117   0.265  -8.199
  473    H    ILE  63           H        ILE  63  -1.583  -3.060  -4.256
  474    HA   ILE  63           HA       ILE  63   0.984  -2.502  -3.084
  475    HB   ILE  63           HB       ILE  63  -0.115  -1.492  -1.295
  476   HG12  ILE  63          HG13      ILE  63  -2.752  -2.509  -2.331
  477   HG13  ILE  63          HG12      ILE  63  -1.914  -3.360  -1.037
  478   HG21  ILE  63          HG21      ILE  63  -1.682  -1.112  -3.691
  479   HG22  ILE  63          HG22      ILE  63  -0.030  -0.508  -3.464
  480   HG23  ILE  63          HG23      ILE  63  -1.357   0.072  -2.413
  481   HD11  ILE  63          HD11      ILE  63  -2.203  -0.474  -0.796
  482   HD12  ILE  63          HD12      ILE  63  -2.213  -1.719   0.434
  483   HD13  ILE  63          HD13      ILE  63  -3.686  -1.449  -0.549
  484    H    GLU  64           H        GLU  64  -1.160  -5.063  -3.050
  485    HA   GLU  64           HA       GLU  64  -0.457  -6.205  -0.486
  486    HB2  GLU  64           HB3      GLU  64  -2.549  -6.899  -1.609
  487    HB3  GLU  64           HB2      GLU  64  -1.613  -7.630  -2.912
  488    HG2  GLU  64           HG3      GLU  64  -0.705  -9.244  -1.353
  489    HG3  GLU  64           HG2      GLU  64  -1.570  -8.471  -0.023
  490    H    HIS  65           H        HIS  65   0.505  -6.978  -3.825
  491    HA   HIS  65           HA       HIS  65   2.736  -8.566  -3.312
  492    HB2  HIS  65           HB3      HIS  65   1.654  -8.006  -5.498
  493    HB3  HIS  65           HB2      HIS  65   2.218  -6.363  -5.265
  494    HD1  HIS  65           HD1      HIS  65   4.055  -9.764  -5.317
  495    HD2  HIS  65           HD2      HIS  65   4.254  -5.824  -6.607
  496    HE1  HIS  65           HE1      HIS  65   5.984  -9.726  -6.909
  497    H    ILE  66           H        ILE  66   2.783  -5.131  -3.740
  498    HA   ILE  66           HA       ILE  66   5.287  -4.680  -3.248
  499    HB   ILE  66           HB       ILE  66   3.142  -3.053  -1.966
  500   HG12  ILE  66          HG13      ILE  66   2.928  -3.460  -4.195
  501   HG13  ILE  66          HG12      ILE  66   3.188  -1.672  -4.085
  502   HG21  ILE  66          HG21      ILE  66   5.070  -2.239  -0.839
  503   HG22  ILE  66          HG22      ILE  66   4.846  -1.083  -2.125
  504   HG23  ILE  66          HG23      ILE  66   6.102  -2.292  -2.249
  505   HD11  ILE  66          HD11      ILE  66   4.389  -2.221  -5.874
  506   HD12  ILE  66          HD12      ILE  66   4.600  -3.908  -5.373
  507   HD13  ILE  66          HD13      ILE  66   5.646  -2.655  -4.666
  508    H    PHE  67           H        PHE  67   2.885  -5.078  -0.530
  509    HA   PHE  67           HA       PHE  67   4.830  -4.824   1.328
  510    HB2  PHE  67           HB3      PHE  67   2.108  -6.122   1.518
  511    HB3  PHE  67           HB2      PHE  67   3.140  -5.697   2.880
  512    HD1  PHE  67           HD1      PHE  67   3.987  -3.162   2.759
  513    HD2  PHE  67           HD2      PHE  67   0.487  -4.706   0.989
  514    HE1  PHE  67           HE1      PHE  67   3.039  -0.871   2.662
  515    HE2  PHE  67           HE2      PHE  67  -0.484  -2.443   0.895
  516    HZ   PHE  67           HZ       PHE  67   0.796  -0.526   1.733
  517    H    GLU  68           H        GLU  68   4.007  -7.650  -0.746
  518    HA   GLU  68           HA       GLU  68   5.033  -9.732   0.902
  519    HB2  GLU  68           HB3      GLU  68   3.419 -10.059  -0.938
  520    HB3  GLU  68           HB2      GLU  68   4.488  -9.208  -2.028
  521    HG2  GLU  68           HG3      GLU  68   6.116 -11.082  -1.755
  522    HG3  GLU  68           HG2      GLU  68   4.866 -11.910  -0.815
  523    H    ILE  69           H        ILE  69   6.120  -8.106  -2.010
  524    HA   ILE  69           HA       ILE  69   8.585  -9.184  -1.948
  525    HB   ILE  69           HB       ILE  69   9.256  -7.527  -3.626
  526   HG12  ILE  69          HG13      ILE  69   6.461  -6.492  -3.182
  527   HG13  ILE  69          HG12      ILE  69   7.956  -5.606  -2.847
  528   HG21  ILE  69          HG21      ILE  69   8.146  -8.740  -5.182
  529   HG22  ILE  69          HG22      ILE  69   6.593  -8.408  -4.420
  530   HG23  ILE  69          HG23      ILE  69   7.641  -9.675  -3.762
  531   HD11  ILE  69          HD11      ILE  69   8.028  -6.617  -5.412
  532   HD12  ILE  69          HD12      ILE  69   8.017  -4.921  -4.885
  533   HD13  ILE  69          HD13      ILE  69   6.466  -5.777  -5.182
  534    H    SER  70           H        SER  70   7.583  -6.318  -0.436
  535    HA   SER  70           HA       SER  70  10.248  -5.481   0.235
  536    HB2  SER  70           HB3      SER  70   8.484  -3.816  -0.125
  537    HB3  SER  70           HB2      SER  70   7.534  -4.541   1.169
  538    HG   SER  70           HG       SER  70   8.583  -3.323   2.477
  539    H    ARG  71           H        ARG  71  11.168  -5.881   2.202
  540    HA   ARG  71           HA       ARG  71  10.202  -8.107   3.644
  541    HB2  ARG  71           HB3      ARG  71  12.658  -6.434   4.008
  542    HB3  ARG  71           HB2      ARG  71  12.284  -7.842   4.987
  543    HG2  ARG  71           HG3      ARG  71  12.547  -7.826   2.008
  544    HG3  ARG  71           HG2      ARG  71  13.850  -8.307   3.108
  545    HD2  ARG  71           HD3      ARG  71  12.251 -10.170   3.890
  546    HD3  ARG  71           HD2      ARG  71  11.166  -9.664   2.611
  547    HE   ARG  71           HE       ARG  71  13.602 -10.073   1.389
  548   HH11  ARG  71          HH11      ARG  71  11.365 -12.121   3.210
  549   HH12  ARG  71          HH12      ARG  71  11.698 -13.554   2.358
  550   HH21  ARG  71          HH22      ARG  71  14.058 -11.951   0.196
  551   HH22  ARG  71          HH21      ARG  71  13.277 -13.448   0.507
  552    H    ARG  72           H        ARG  72   8.283  -6.670   4.127
  553    HA   ARG  72           HA       ARG  72   8.445  -5.932   6.952
  554    HB2  ARG  72           HB3      ARG  72   8.747  -3.768   5.637
  555    HB3  ARG  72           HB2      ARG  72   7.141  -4.031   4.960
  556    HG2  ARG  72           HG3      ARG  72   6.905  -2.517   6.780
  557    HG3  ARG  72           HG2      ARG  72   6.236  -4.066   7.271
  558    HD2  ARG  72           HD3      ARG  72   8.463  -4.607   8.292
  559    HD3  ARG  72           HD2      ARG  72   8.928  -2.931   7.990
  560    HE   ARG  72           HE       ARG  72   6.501  -3.338   9.505
  561   HH11  ARG  72          HH11      ARG  72   9.717  -2.092   9.651
  562   HH12  ARG  72          HH12      ARG  72   9.940  -2.255  11.344
  563   HH21  ARG  72          HH22      ARG  72   6.696  -3.702  11.853
  564   HH22  ARG  72          HH21      ARG  72   8.118  -3.203  12.657
  565    HA   PRO  73           HA       PRO  73   4.823  -8.671   5.441
  566    HB2  PRO  73           HB2      PRO  73   5.009 -10.345   7.570
  567    HB3  PRO  73           HB3      PRO  73   5.851 -10.576   6.031
  568    HG2  PRO  73           HG3      PRO  73   6.781  -9.338   8.548
  569    HG3  PRO  73           HG2      PRO  73   7.621 -10.541   7.529
  570    HD2  PRO  73           HD3      PRO  73   8.314  -7.978   7.405
  571    HD3  PRO  73           HD2      PRO  73   8.153  -8.914   5.910
  572    H    ASP  74           H        ASP  74   5.238  -6.712   8.155
  573    HA   ASP  74           HA       ASP  74   2.940  -7.466   9.747
  574    HB2  ASP  74           HB3      ASP  74   4.029  -4.636   9.503
  575    HB3  ASP  74           HB2      ASP  74   3.066  -5.261  10.805
  576    H    LEU  75           H        LEU  75   3.623  -5.160   7.503
  577    HA   LEU  75           HA       LEU  75   1.028  -3.959   7.268
  578    HB2  LEU  75           HB3      LEU  75   3.368  -3.729   5.414
  579    HB3  LEU  75           HB2      LEU  75   1.871  -2.888   5.111
  580    HG   LEU  75           HG       LEU  75   2.237  -1.517   7.242
  581   HD11  LEU  75          HD11      LEU  75   4.736  -1.682   7.962
  582   HD12  LEU  75          HD12      LEU  75   4.478  -3.389   7.586
  583   HD13  LEU  75          HD13      LEU  75   3.448  -2.573   8.757
  584   HD21  LEU  75          HD21      LEU  75   4.697  -1.455   5.611
  585   HD22  LEU  75          HD22      LEU  75   3.747  -0.119   6.277
  586   HD23  LEU  75          HD23      LEU  75   3.129  -1.043   4.901
  587    H    LEU  76           H        LEU  76   2.696  -6.074   5.233
  588    HA   LEU  76           HA       LEU  76   0.855  -6.793   3.165
  589    HB2  LEU  76           HB3      LEU  76   3.044  -8.107   3.459
  590    HB3  LEU  76           HB2      LEU  76   2.173  -8.973   4.741
  591    HG   LEU  76           HG       LEU  76   0.469  -9.440   3.031
  592   HD11  LEU  76          HD11      LEU  76   2.088  -9.755   0.795
  593   HD12  LEU  76          HD12      LEU  76   2.001  -8.075   1.323
  594   HD13  LEU  76          HD13      LEU  76   0.524  -8.989   1.053
  595   HD21  LEU  76          HD21      LEU  76   1.213 -11.378   3.655
  596   HD22  LEU  76          HD22      LEU  76   2.902 -10.870   3.708
  597   HD23  LEU  76          HD23      LEU  76   2.192 -11.402   2.177
  598    H    THR  77           H        THR  77   1.222  -8.352   6.114
  599    HA   THR  77           HA       THR  77  -0.908 -10.026   6.345
  600    HB   THR  77           HB       THR  77   0.385  -8.412   8.481
  601    HG1  THR  77           HG1      THR  77   1.928  -9.739   7.790
  602   HG21  THR  77          HG21      THR  77  -0.437 -10.696   9.698
  603   HG22  THR  77          HG22      THR  77  -1.728 -10.312   8.523
  604   HG23  THR  77          HG23      THR  77  -1.212  -9.072   9.708
  605    H    MET  78           H        MET  78  -0.818  -6.727   7.302
  606    HA   MET  78           HA       MET  78  -3.480  -6.631   8.202
  607    HB2  MET  78           HB3      MET  78  -1.774  -4.302   7.315
  608    HB3  MET  78           HB2      MET  78  -3.339  -4.164   8.101
  609    HG2  MET  78           HG3      MET  78  -1.020  -5.657   9.260
  610    HG3  MET  78           HG2      MET  78  -1.483  -3.988   9.734
  611    HE1  MET  78           HE1      MET  78  -2.200  -5.017  12.747
  612    HE2  MET  78           HE2      MET  78  -0.863  -5.588  11.741
  613    HE3  MET  78           HE3      MET  78  -1.975  -6.747  12.467
  614    H    VAL  79           H        VAL  79  -2.123  -6.152   5.021
  615    HA   VAL  79           HA       VAL  79  -4.532  -5.196   3.782
  616    HB   VAL  79           HB       VAL  79  -2.156  -6.613   2.527
  617   HG11  VAL  79          HG11      VAL  79  -2.931  -6.113   0.490
  618   HG12  VAL  79          HG12      VAL  79  -3.532  -4.542   1.022
  619   HG13  VAL  79          HG13      VAL  79  -4.490  -5.988   1.330
  620   HG21  VAL  79          HG21      VAL  79  -1.602  -4.635   3.935
  621   HG22  VAL  79          HG22      VAL  79  -2.500  -3.638   2.793
  622   HG23  VAL  79          HG23      VAL  79  -1.078  -4.537   2.258
  623    H    VAL  80           H        VAL  80  -2.869  -8.261   3.963
  624    HA   VAL  80           HA       VAL  80  -4.714  -9.943   2.713
  625    HB   VAL  80           HB       VAL  80  -2.847 -10.558   5.072
  626   HG11  VAL  80          HG11      VAL  80  -3.070 -12.862   4.532
  627   HG12  VAL  80          HG12      VAL  80  -4.119 -12.486   3.154
  628   HG13  VAL  80          HG13      VAL  80  -4.670 -12.164   4.817
  629   HG21  VAL  80          HG21      VAL  80  -1.194 -10.290   3.566
  630   HG22  VAL  80          HG22      VAL  80  -2.354 -10.091   2.248
  631   HG23  VAL  80          HG23      VAL  80  -1.831 -11.705   2.727
  632    H    ASP  81           H        ASP  81  -4.377  -9.191   5.931
  633    HA   ASP  81           HA       ASP  81  -6.551 -10.426   7.128
  634    HB2  ASP  81           HB3      ASP  81  -4.814  -9.503   8.557
  635    HB3  ASP  81           HB2      ASP  81  -5.247  -7.861   8.137
  636    H    TYR  82           H        TYR  82  -6.385  -7.247   5.891
  637    HA   TYR  82           HA       TYR  82  -8.988  -6.175   6.313
  638    HB2  TYR  82           HB3      TYR  82  -7.324  -4.751   5.469
  639    HB3  TYR  82           HB2      TYR  82  -7.097  -5.727   4.022
  640    HD1  TYR  82           HD2      TYR  82  -9.706  -3.643   5.784
  641    HD2  TYR  82           HD1      TYR  82  -8.223  -5.288   2.172
  642    HE1  TYR  82           HE2      TYR  82 -11.312  -2.376   4.546
  643    HE2  TYR  82           HE1      TYR  82  -9.863  -4.024   0.913
  644    HH   TYR  82           HH       TYR  82 -11.499  -2.503   1.005
  645    H    ARG  83           H        ARG  83  -7.686  -7.899   3.516
  646    HA   ARG  83           HA       ARG  83  -9.989  -7.900   2.005
  647    HB2  ARG  83           HB3      ARG  83  -8.117  -8.231   0.808
  648    HB3  ARG  83           HB2      ARG  83  -7.360  -9.241   2.002
  649    HG2  ARG  83           HG3      ARG  83  -9.576 -10.245   0.283
  650    HG3  ARG  83           HG2      ARG  83  -7.887 -10.199  -0.325
  651    HD2  ARG  83           HD3      ARG  83  -7.348 -11.465   1.834
  652    HD3  ARG  83           HD2      ARG  83  -9.087 -11.699   2.012
  653    HE   ARG  83           HE       ARG  83  -8.220 -12.497  -0.519
  654   HH11  ARG  83          HH11      ARG  83  -8.450 -13.677   2.855
  655   HH12  ARG  83          HH12      ARG  83  -7.908 -15.240   2.484
  656   HH21  ARG  83          HH22      ARG  83  -7.377 -14.729  -0.957
  657   HH22  ARG  83          HH21      ARG  83  -7.176 -15.811   0.353
  658    H    THR  84           H        THR  84  -8.848 -10.177   4.026
  659    HA   THR  84           HA       THR  84 -11.014 -12.025   3.846
  660    HB   THR  84           HB       THR  84  -9.185 -11.620   6.172
  661    HG1  THR  84           HG1      THR  84  -7.841 -12.117   4.532
  662   HG21  THR  84          HG21      THR  84 -11.003 -12.895   6.698
  663   HG22  THR  84          HG22      THR  84  -9.609 -13.999   6.542
  664   HG23  THR  84          HG23      THR  84 -10.844 -13.870   5.221
  665    H    ARG  85           H        ARG  85 -10.279 -10.066   6.350
  666    HA   ARG  85           HA       ARG  85 -12.425 -10.186   7.992
  667    HB2  ARG  85           HB3      ARG  85 -11.949  -8.132   9.268
  668    HB3  ARG  85           HB2      ARG  85 -10.469  -8.928   8.827
  669    HG2  ARG  85           HG3      ARG  85 -10.248  -7.263   6.934
  670    HG3  ARG  85           HG2      ARG  85 -11.620  -6.414   7.613
  671    HD2  ARG  85           HD3      ARG  85 -10.504  -6.228   9.706
  672    HD3  ARG  85           HD2      ARG  85  -9.088  -7.076   9.048
  673    HE   ARG  85           HE       ARG  85  -9.853  -4.683   7.635
  674   HH11  ARG  85          HH11      ARG  85  -7.591  -6.130   9.900
  675   HH12  ARG  85          HH12      ARG  85  -6.754  -4.702  10.310
  676   HH21  ARG  85          HH22      ARG  85  -8.634  -2.556   8.157
  677   HH22  ARG  85          HH21      ARG  85  -7.388  -2.588   9.293
  678    H    VAL  86           H        VAL  86 -12.081  -7.739   5.899
  679    HA   VAL  86           HA       VAL  86 -14.614  -6.617   6.149
  680    HB   VAL  86           HB       VAL  86 -12.680  -6.281   3.898
  681   HG11  VAL  86          HG11      VAL  86 -14.899  -5.672   2.941
  682   HG12  VAL  86          HG12      VAL  86 -14.067  -4.173   3.333
  683   HG13  VAL  86          HG13      VAL  86 -15.311  -4.790   4.415
  684   HG21  VAL  86          HG21      VAL  86 -12.941  -5.320   6.517
  685   HG22  VAL  86          HG22      VAL  86 -13.189  -3.946   5.436
  686   HG23  VAL  86          HG23      VAL  86 -11.722  -4.924   5.309
  687    H    LEU  87           H        LEU  87 -13.441  -9.046   4.071
  688    HA   LEU  87           HA       LEU  87 -15.589  -9.618   2.293
  689    HB2  LEU  87           HB3      LEU  87 -13.213 -10.430   2.342
  690    HB3  LEU  87           HB2      LEU  87 -13.604 -11.345   3.759
  691    HG   LEU  87           HG       LEU  87 -13.272 -12.730   1.889
  692   HD11  LEU  87          HD11      LEU  87 -15.598 -13.856   1.696
  693   HD12  LEU  87          HD12      LEU  87 -16.023 -12.699   2.973
  694   HD13  LEU  87          HD13      LEU  87 -14.669 -13.815   3.201
  695   HD21  LEU  87          HD21      LEU  87 -13.657 -11.358   0.078
  696   HD22  LEU  87          HD22      LEU  87 -15.341 -11.067   0.508
  697   HD23  LEU  87          HD23      LEU  87 -14.844 -12.658  -0.085
  698    H    LYS  88           H        LYS  88 -14.620 -10.811   5.430
  699    HA   LYS  88           HA       LYS  88 -16.875 -12.380   5.936
  700    HB2  LYS  88           HB3      LYS  88 -14.655 -12.781   6.987
  701    HB3  LYS  88           HB2      LYS  88 -14.893 -11.351   7.983
  702    HG2  LYS  88           HG3      LYS  88 -15.373 -13.381   9.260
  703    HG3  LYS  88           HG2      LYS  88 -16.822 -12.412   9.053
  704    HD2  LYS  88           HD3      LYS  88 -17.539 -13.805   7.181
  705    HD3  LYS  88           HD2      LYS  88 -16.088 -14.785   7.325
  706    HE2  LYS  88           HE3      LYS  88 -16.804 -15.495   9.552
  707    HE3  LYS  88           HE2      LYS  88 -18.260 -14.500   9.414
  708    HZ1  LYS  88           HZ1      LYS  88 -18.450 -15.842   7.203
  709    HZ2  LYS  88           HZ2      LYS  88 -19.118 -16.456   8.615
  710    HZ3  LYS  88           HZ3      LYS  88 -17.621 -17.013   8.023
  711    H    ILE  89           H        ILE  89 -16.269  -8.969   6.738
  712    HA   ILE  89           HA       ILE  89 -18.362  -8.711   8.604
  713    HB   ILE  89           HB       ILE  89 -16.603  -6.861   7.054
  714   HG12  ILE  89          HG13      ILE  89 -16.707  -7.478  10.014
  715   HG13  ILE  89          HG12      ILE  89 -15.518  -8.070   8.854
  716   HG21  ILE  89          HG21      ILE  89 -18.479  -5.828   9.141
  717   HG22  ILE  89          HG22      ILE  89 -18.816  -5.957   7.389
  718   HG23  ILE  89          HG23      ILE  89 -17.482  -4.956   7.939
  719   HD11  ILE  89          HD11      ILE  89 -14.975  -6.063  10.414
  720   HD12  ILE  89          HD12      ILE  89 -15.877  -5.132   9.209
  721   HD13  ILE  89          HD13      ILE  89 -14.455  -6.060   8.735
  722    H    SER  90           H        SER  90 -17.893  -7.848   5.219
  723    HA   SER  90           HA       SER  90 -20.613  -6.940   5.044
  724    HB2  SER  90           HB3      SER  90 -18.390  -7.019   3.026
  725    HB3  SER  90           HB2      SER  90 -19.989  -6.334   2.689
  726    HG   SER  90           HG       SER  90 -18.073  -5.441   4.618
  Start of MODEL   12
    1    H1   MET   1           H        MET   1 -16.095   2.348   1.184
    2    H2   MET   1           H2       MET   1 -15.334   1.304   0.129
    3    H3   MET   1           H3       MET   1 -15.303   0.986   1.780
    4    HA   MET   1           HA       MET   1 -13.267   1.931   0.619
    5    HB2  MET   1           HB3      MET   1 -14.902   4.419   0.968
    6    HB3  MET   1           HB2      MET   1 -13.174   4.422   0.674
    7    HG2  MET   1           HG3      MET   1 -13.637   3.275  -1.494
    8    HG3  MET   1           HG2      MET   1 -15.357   3.475  -1.154
    9    HE1  MET   1           HE1      MET   1 -12.123   5.226  -0.898
   10    HE2  MET   1           HE2      MET   1 -12.700   6.854  -0.558
   11    HE3  MET   1           HE3      MET   1 -12.171   6.431  -2.194
   12    H    ALA   2           H        ALA   2 -15.240   2.817   3.267
   13    HA   ALA   2           HA       ALA   2 -13.135   4.113   4.664
   14    HB1  ALA   2           HB1      ALA   2 -15.108   4.724   5.705
   15    HB2  ALA   2           HB2      ALA   2 -14.508   3.541   6.854
   16    HB3  ALA   2           HB3      ALA   2 -15.753   3.080   5.683
   17    H    GLU   3           H        GLU   3 -14.134   0.926   5.627
   18    HA   GLU   3           HA       GLU   3 -11.949   0.604   7.181
   19    HB2  GLU   3           HB3      GLU   3 -13.098  -1.769   5.676
   20    HB3  GLU   3           HB2      GLU   3 -11.943  -1.916   6.985
   21    HG2  GLU   3           HG3      GLU   3 -13.551  -0.766   8.472
   22    HG3  GLU   3           HG2      GLU   3 -14.725  -0.814   7.134
   23    H    TYR   4           H        TYR   4 -12.018   0.173   4.063
   24    HA   TYR   4           HA       TYR   4  -9.321  -0.664   3.512
   25    HB2  TYR   4           HB3      TYR   4 -10.946  -0.542   1.597
   26    HB3  TYR   4           HB2      TYR   4 -10.752   1.225   1.570
   27    HD1  TYR   4           HD1      TYR   4  -8.422  -1.639   1.792
   28    HD2  TYR   4           HD2      TYR   4  -9.495   1.827  -0.498
   29    HE1  TYR   4           HE1      TYR   4  -6.539  -2.016   0.270
   30    HE2  TYR   4           HE2      TYR   4  -7.656   1.448  -1.960
   31    HH   TYR   4           HH       TYR   4  -6.263  -0.847  -2.629
   32    H    GLY   5           H        GLY   5 -10.758   2.441   3.667
   33    HA2  GLY   5           HA3      GLY   5  -8.626   4.263   3.433
   34    HA3  GLY   5           HA2      GLY   5 -10.020   4.605   4.460
   35    H    THR   6           H        THR   6  -9.766   2.783   6.516
   36    HA   THR   6           HA       THR   6  -7.649   3.793   8.114
   37    HB   THR   6           HB       THR   6  -9.208   1.257   8.459
   38    HG1  THR   6           HG1      THR   6  -9.925   3.985   8.874
   39   HG21  THR   6          HG21      THR   6  -7.526   1.539  10.027
   40   HG22  THR   6          HG22      THR   6  -9.028   2.019  10.849
   41   HG23  THR   6          HG23      THR   6  -7.922   3.256  10.218
   42    H    LEU   7           H        LEU   7  -8.216   0.854   6.511
   43    HA   LEU   7           HA       LEU   7  -6.012  -0.746   7.137
   44    HB2  LEU   7           HB3      LEU   7  -7.572  -1.564   5.524
   45    HB3  LEU   7           HB2      LEU   7  -7.035  -0.383   4.338
   46    HG   LEU   7           HG       LEU   7  -4.822  -1.464   4.342
   47   HD11  LEU   7          HD11      LEU   7  -5.199  -3.983   5.180
   48   HD12  LEU   7          HD12      LEU   7  -6.047  -3.034   6.430
   49   HD13  LEU   7          HD13      LEU   7  -4.357  -2.720   6.072
   50   HD21  LEU   7          HD21      LEU   7  -7.061  -2.100   2.987
   51   HD22  LEU   7          HD22      LEU   7  -6.554  -3.681   3.568
   52   HD23  LEU   7          HD23      LEU   7  -5.452  -2.710   2.585
   53    H    LEU   8           H        LEU   8  -6.021   1.377   4.566
   54    HA   LEU   8           HA       LEU   8  -3.233   1.493   3.841
   55    HB2  LEU   8           HB3      LEU   8  -5.210   3.760   3.551
   56    HB3  LEU   8           HB2      LEU   8  -3.511   3.827   3.060
   57    HG   LEU   8           HG       LEU   8  -3.828   2.274   1.314
   58   HD11  LEU   8          HD11      LEU   8  -5.674   0.959   0.885
   59   HD12  LEU   8          HD12      LEU   8  -6.738   1.909   1.920
   60   HD13  LEU   8          HD13      LEU   8  -5.488   0.869   2.637
   61   HD21  LEU   8          HD21      LEU   8  -6.320   3.606   0.681
   62   HD22  LEU   8          HD22      LEU   8  -4.711   3.807  -0.028
   63   HD23  LEU   8          HD23      LEU   8  -5.165   4.687   1.431
   64    H    GLN   9           H        GLN   9  -5.007   3.270   6.141
   65    HA   GLN   9           HA       GLN   9  -2.924   4.890   7.109
   66    HB2  GLN   9           HB3      GLN   9  -4.978   5.865   7.141
   67    HB3  GLN   9           HB2      GLN   9  -5.751   4.389   7.699
   68    HG2  GLN   9           HG3      GLN   9  -5.325   4.639   9.631
   69    HG3  GLN   9           HG2      GLN   9  -3.856   5.704   9.565
   70   HE21  GLN   9          HE22      GLN   9  -4.256   7.817   9.680
   71   HE22  GLN   9          HE21      GLN   9  -5.819   8.529   9.914
   72    H    ASP  10           H        ASP  10  -3.970   1.971   7.790
   73    HA   ASP  10           HA       ASP  10  -2.961   1.618  10.537
   74    HB2  ASP  10           HB3      ASP  10  -4.169  -0.495   8.794
   75    HB3  ASP  10           HB2      ASP  10  -3.292  -0.873  10.270
   76    H    LEU  11           H        LEU  11  -1.959   0.762   7.273
   77    HA   LEU  11           HA       LEU  11   0.361  -0.382   8.353
   78    HB2  LEU  11           HB3      LEU  11   0.996  -0.801   6.065
   79    HB3  LEU  11           HB2      LEU  11  -0.522  -1.580   6.508
   80    HG   LEU  11           HG       LEU  11  -1.455   0.589   5.343
   81   HD11  LEU  11          HD11      LEU  11   1.229   0.928   5.097
   82   HD12  LEU  11          HD12      LEU  11  -0.057   1.854   4.282
   83   HD13  LEU  11          HD13      LEU  11   0.688   0.461   3.478
   84   HD21  LEU  11          HD21      LEU  11  -0.311  -1.486   3.518
   85   HD22  LEU  11          HD22      LEU  11  -1.891  -0.713   3.447
   86   HD23  LEU  11          HD23      LEU  11  -1.536  -1.956   4.674
   87    H    THR  12           H        THR  12  -0.743   2.437   7.121
   88    HA   THR  12           HA       THR  12   1.665   3.930   6.719
   89    HB   THR  12           HB       THR  12  -1.188   4.664   7.085
   90    HG1  THR  12           HG1      THR  12  -0.878   3.929   5.134
   91   HG21  THR  12          HG21      THR  12   1.035   6.414   7.340
   92   HG22  THR  12          HG22      THR  12  -0.727   6.660   7.584
   93   HG23  THR  12          HG23      THR  12  -0.044   6.760   5.925
   94    H    ASN  13           H        ASN  13  -0.353   3.365   9.550
   95    HA   ASN  13           HA       ASN  13   1.046   5.104  11.332
   96    HB2  ASN  13           HB3      ASN  13  -0.535   2.599  12.024
   97    HB3  ASN  13           HB2      ASN  13   0.130   3.660  13.237
   98   HD21  ASN  13          HD22      ASN  13  -2.632   2.756  12.198
   99   HD22  ASN  13          HD21      ASN  13  -3.532   4.211  12.124
  100    H    ASN  14           H        ASN  14   1.523   1.862  10.263
  101    HA   ASN  14           HA       ASN  14   3.731   1.436  12.097
  102    HB2  ASN  14           HB3      ASN  14   2.488  -0.485  10.061
  103    HB3  ASN  14           HB2      ASN  14   3.810  -0.851  11.151
  104   HD21  ASN  14          HD22      ASN  14   0.456  -0.852  10.865
  105   HD22  ASN  14          HD21      ASN  14   0.098  -1.111  12.529
  106    H    ILE  15           H        ILE  15   3.321   2.752   9.150
  107    HA   ILE  15           HA       ILE  15   5.712   1.901   7.859
  108    HB   ILE  15           HB       ILE  15   3.632   3.987   7.310
  109   HG12  ILE  15          HG13      ILE  15   3.320   1.704   6.544
  110   HG13  ILE  15          HG12      ILE  15   3.315   2.864   5.219
  111   HG21  ILE  15          HG21      ILE  15   4.786   5.371   6.138
  112   HG22  ILE  15          HG22      ILE  15   5.373   4.058   5.119
  113   HG23  ILE  15          HG23      ILE  15   6.278   4.514   6.574
  114   HD11  ILE  15          HD11      ILE  15   4.931   1.771   4.228
  115   HD12  ILE  15          HD12      ILE  15   4.954   0.587   5.536
  116   HD13  ILE  15          HD13      ILE  15   5.988   2.028   5.612
  117    H    THR  16           H        THR  16   7.725   2.612   8.468
  118    HA   THR  16           HA       THR  16   7.977   5.209   9.642
  119    HB   THR  16           HB       THR  16  10.275   4.792   9.850
  120    HG1  THR  16           HG1      THR  16  10.387   2.186   8.822
  121   HG21  THR  16          HG21      THR  16  10.405   2.883  11.193
  122   HG22  THR  16          HG22      THR  16   8.925   2.266  10.376
  123   HG23  THR  16          HG23      THR  16   8.848   3.779  11.361
  124    H    LEU  17           H        LEU  17   9.056   6.552   8.568
  125    HA   LEU  17           HA       LEU  17   8.487   6.928   5.858
  126    HB2  LEU  17           HB3      LEU  17   9.465   8.666   7.500
  127    HB3  LEU  17           HB2      LEU  17  11.039   8.054   7.074
  128    HG   LEU  17           HG       LEU  17   9.128   9.510   5.253
  129   HD11  LEU  17          HD11      LEU  17   9.972  11.194   6.431
  130   HD12  LEU  17          HD12      LEU  17  11.291  11.009   5.271
  131   HD13  LEU  17          HD13      LEU  17  11.431  10.303   6.885
  132   HD21  LEU  17          HD21      LEU  17  10.420   7.846   4.030
  133   HD22  LEU  17          HD22      LEU  17  11.922   8.512   4.672
  134   HD23  LEU  17          HD23      LEU  17  10.912   9.497   3.612
  135    H    GLU  18           H        GLU  18  11.405   5.613   7.258
  136    HA   GLU  18           HA       GLU  18  12.665   4.853   4.834
  137    HB2  GLU  18           HB3      GLU  18  13.127   3.536   7.513
  138    HB3  GLU  18           HB2      GLU  18  14.117   3.231   6.079
  139    HG2  GLU  18           HG3      GLU  18  14.643   5.708   6.086
  140    HG3  GLU  18           HG2      GLU  18  13.801   5.814   7.611
  141    H    ASP  19           H        ASP  19  10.633   3.001   6.860
  142    HA   ASP  19           HA       ASP  19  10.576   0.520   5.544
  143    HB2  ASP  19           HB3      ASP  19   8.166   1.851   6.855
  144    HB3  ASP  19           HB2      ASP  19   8.145   0.176   6.246
  145    H    LEU  20           H        LEU  20   8.285   3.135   5.013
  146    HA   LEU  20           HA       LEU  20   7.146   2.286   2.698
  147    HB2  LEU  20           HB3      LEU  20   6.735   4.536   3.930
  148    HB3  LEU  20           HB2      LEU  20   8.098   5.025   2.910
  149    HG   LEU  20           HG       LEU  20   6.969   4.404   0.949
  150   HD11  LEU  20          HD11      LEU  20   4.515   4.080   1.004
  151   HD12  LEU  20          HD12      LEU  20   4.660   3.784   2.748
  152   HD13  LEU  20          HD13      LEU  20   5.480   2.730   1.608
  153   HD21  LEU  20          HD21      LEU  20   5.026   6.193   1.510
  154   HD22  LEU  20          HD22      LEU  20   6.687   6.553   1.052
  155   HD23  LEU  20          HD23      LEU  20   6.232   6.531   2.768
  156    H    GLU  21           H        GLU  21  10.147   4.022   3.061
  157    HA   GLU  21           HA       GLU  21  10.506   4.252   0.308
  158    HB2  GLU  21           HB3      GLU  21  12.664   4.508   2.408
  159    HB3  GLU  21           HB2      GLU  21  12.930   4.774   0.681
  160    HG2  GLU  21           HG3      GLU  21  11.045   6.433   0.765
  161    HG3  GLU  21           HG2      GLU  21  11.109   6.305   2.517
  162    H    GLN  22           H        GLN  22  11.278   1.906   2.344
  163    HA   GLN  22           HA       GLN  22  12.728   0.290   0.483
  164    HB2  GLN  22           HB3      GLN  22  12.768  -0.296   2.946
  165    HB3  GLN  22           HB2      GLN  22  11.148  -0.984   2.685
  166    HG2  GLN  22           HG3      GLN  22  12.022  -2.528   1.075
  167    HG3  GLN  22           HG2      GLN  22  13.630  -1.854   1.236
  168   HE21  GLN  22          HE22      GLN  22  12.125  -4.446   1.844
  169   HE22  GLN  22          HE21      GLN  22  12.810  -4.894   3.404
  170    H    LEU  23           H        LEU  23   9.200   0.459   1.262
  171    HA   LEU  23           HA       LEU  23   8.348  -1.465  -0.497
  172    HB2  LEU  23           HB3      LEU  23   7.102   1.165   0.404
  173    HB3  LEU  23           HB2      LEU  23   6.233  -0.116  -0.415
  174    HG   LEU  23           HG       LEU  23   7.446  -0.293   2.332
  175   HD11  LEU  23          HD11      LEU  23   5.195  -0.083   3.140
  176   HD12  LEU  23          HD12      LEU  23   4.568  -0.039   1.485
  177   HD13  LEU  23          HD13      LEU  23   5.568   1.280   2.091
  178   HD21  LEU  23          HD21      LEU  23   5.337  -2.123   1.769
  179   HD22  LEU  23          HD22      LEU  23   6.991  -2.430   2.299
  180   HD23  LEU  23          HD23      LEU  23   6.634  -2.292   0.569
  181    H    LYS  24           H        LYS  24   8.993   1.823  -0.759
  182    HA   LYS  24           HA       LYS  24   8.251   2.354  -3.518
  183    HB2  LYS  24           HB3      LYS  24  10.636   3.760  -2.269
  184    HB3  LYS  24           HB2      LYS  24   9.701   4.325  -3.608
  185    HG2  LYS  24           HG3      LYS  24   7.754   4.655  -2.018
  186    HG3  LYS  24           HG2      LYS  24   8.823   4.323  -0.669
  187    HD2  LYS  24           HD3      LYS  24   9.054   6.535  -2.699
  188    HD3  LYS  24           HD2      LYS  24   8.748   6.658  -0.958
  189    HE2  LYS  24           HE3      LYS  24  11.036   5.751  -0.546
  190    HE3  LYS  24           HE2      LYS  24  11.289   5.719  -2.290
  191    HZ1  LYS  24           HZ1      LYS  24  10.802   8.204  -2.192
  192    HZ2  LYS  24           HZ2      LYS  24  12.290   7.696  -1.543
  193    HZ3  LYS  24           HZ3      LYS  24  11.042   8.068  -0.512
  194    H    SER  25           H        SER  25  10.983   1.677  -2.202
  195    HA   SER  25           HA       SER  25  12.869   1.268  -4.295
  196    HB2  SER  25           HB3      SER  25  13.130  -0.345  -1.713
  197    HB3  SER  25           HB2      SER  25  14.390  -0.144  -2.924
  198    HG   SER  25           HG       SER  25  13.213   1.822  -1.261
  199    H    ALA  26           H        ALA  26  11.021  -0.955  -2.760
  200    HA   ALA  26           HA       ALA  26  11.342  -3.197  -4.511
  201    HB1  ALA  26           HB1      ALA  26   8.663  -3.309  -3.548
  202    HB2  ALA  26           HB2      ALA  26   9.657  -2.616  -2.270
  203    HB3  ALA  26           HB3      ALA  26  10.069  -4.185  -2.948
  204    H    CYS  27           H        CYS  27   8.915  -0.596  -4.408
  205    HA   CYS  27           HA       CYS  27   7.580  -1.361  -6.776
  206    HB2  CYS  27           HB3      CYS  27   7.698   1.367  -5.568
  207    HB3  CYS  27           HB2      CYS  27   6.541   0.683  -6.718
  208    HG   CYS  27           HG       CYS  27   6.922  -0.448  -3.532
  209    H    LYS  28           H        LYS  28  10.646  -0.105  -6.673
  210    HA   LYS  28           HA       LYS  28  10.726   2.192  -8.041
  211    HB2  LYS  28           HB3      LYS  28  13.007   1.663  -8.750
  212    HB3  LYS  28           HB2      LYS  28  12.706   1.157  -7.087
  213    HG2  LYS  28           HG3      LYS  28  12.345  -1.152  -7.883
  214    HG3  LYS  28           HG2      LYS  28  12.762  -0.630  -9.508
  215    HD2  LYS  28           HD3      LYS  28  14.995  -0.012  -8.742
  216    HD3  LYS  28           HD2      LYS  28  14.584  -0.509  -7.102
  217    HE2  LYS  28           HE3      LYS  28  14.111  -2.796  -7.989
  218    HE3  LYS  28           HE2      LYS  28  14.718  -2.259  -9.557
  219    HZ1  LYS  28           HZ1      LYS  28  16.774  -2.774  -8.821
  220    HZ2  LYS  28           HZ2      LYS  28  16.115  -3.194  -7.341
  221    HZ3  LYS  28           HZ3      LYS  28  16.634  -1.624  -7.594
  222    H    GLU  29           H        GLU  29  10.399  -0.915  -9.547
  223    HA   GLU  29           HA       GLU  29  10.576   0.160 -12.140
  224    HB2  GLU  29           HB3      GLU  29   9.703  -2.536 -11.207
  225    HB3  GLU  29           HB2      GLU  29   9.846  -2.102 -12.916
  226    HG2  GLU  29           HG3      GLU  29  12.220  -1.510 -12.515
  227    HG3  GLU  29           HG2      GLU  29  12.040  -2.094 -10.854
  228    H    ASP  30           H        ASP  30   7.869  -0.625 -10.028
  229    HA   ASP  30           HA       ASP  30   5.945  -0.221 -12.116
  230    HB2  ASP  30           HB3      ASP  30   5.579  -0.755  -9.183
  231    HB3  ASP  30           HB2      ASP  30   4.258  -0.613 -10.326
  232    H    ILE  31           H        ILE  31   6.840   1.602  -9.207
  233    HA   ILE  31           HA       ILE  31   4.934   3.647 -10.036
  234    HB   ILE  31           HB       ILE  31   4.966   2.688  -7.636
  235   HG12  ILE  31          HG13      ILE  31   3.943   4.902  -8.046
  236   HG13  ILE  31          HG12      ILE  31   4.584   4.716  -6.431
  237   HG21  ILE  31          HG21      ILE  31   6.582   3.481  -6.088
  238   HG22  ILE  31          HG22      ILE  31   7.465   4.248  -7.415
  239   HG23  ILE  31          HG23      ILE  31   7.302   2.485  -7.357
  240   HD11  ILE  31          HD11      ILE  31   6.371   5.919  -8.404
  241   HD12  ILE  31          HD12      ILE  31   6.106   6.311  -6.689
  242   HD13  ILE  31          HD13      ILE  31   4.949   6.897  -7.863
  243    HA   PRO  32           HA       PRO  32   8.163   5.471 -12.002
  244    HB2  PRO  32           HB2      PRO  32   7.446   8.160 -12.095
  245    HB3  PRO  32           HB3      PRO  32   6.927   6.864 -13.205
  246    HG2  PRO  32           HG3      PRO  32   5.586   7.991 -10.840
  247    HG3  PRO  32           HG2      PRO  32   4.880   7.496 -12.389
  248    HD2  PRO  32           HD3      PRO  32   4.710   6.038 -10.170
  249    HD3  PRO  32           HD2      PRO  32   4.824   5.299 -11.804
  250    H    SER  33           H        SER  33   9.934   6.321 -11.746
  251    HA   SER  33           HA       SER  33  11.231   6.692  -9.228
  252    HB2  SER  33           HB3      SER  33  12.517   6.186 -11.320
  253    HB3  SER  33           HB2      SER  33  12.300   7.847 -11.861
  254    HG   SER  33           HG       SER  33  14.295   7.099 -10.666
  255    H    GLU  34           H        GLU  34  10.335   9.042 -11.520
  256    HA   GLU  34           HA       GLU  34  10.540  11.627 -10.624
  257    HB2  GLU  34           HB3      GLU  34   9.288  10.800 -12.637
  258    HB3  GLU  34           HB2      GLU  34   7.948  10.412 -11.588
  259    HG2  GLU  34           HG3      GLU  34   7.388  12.424 -12.606
  260    HG3  GLU  34           HG2      GLU  34   7.929  12.777 -10.951
  261    H    LYS  35           H        LYS  35   8.100   9.612  -9.937
  262    HA   LYS  35           HA       LYS  35   6.885  11.131  -7.806
  263    HB2  LYS  35           HB3      LYS  35   6.070   8.471  -8.891
  264    HB3  LYS  35           HB2      LYS  35   5.165   9.315  -7.629
  265    HG2  LYS  35           HG3      LYS  35   5.812  10.444 -10.320
  266    HG3  LYS  35           HG2      LYS  35   4.269   9.675  -9.871
  267    HD2  LYS  35           HD3      LYS  35   4.030  11.248  -8.032
  268    HD3  LYS  35           HD2      LYS  35   5.535  12.044  -8.459
  269    HE2  LYS  35           HE3      LYS  35   4.534  12.756 -10.594
  270    HE3  LYS  35           HE2      LYS  35   3.014  11.983 -10.111
  271    HZ1  LYS  35           HZ1      LYS  35   2.524  13.699  -8.739
  272    HZ2  LYS  35           HZ2      LYS  35   3.738  14.572  -9.505
  273    HZ3  LYS  35           HZ3      LYS  35   4.076  13.725  -8.100
  274    H    SER  36           H        SER  36   8.440   7.955  -7.701
  275    HA   SER  36           HA       SER  36   8.194   7.380  -5.094
  276    HB2  SER  36           HB3      SER  36   9.155   5.929  -6.718
  277    HB3  SER  36           HB2      SER  36  10.586   6.943  -6.899
  278    HG   SER  36           HG       SER  36  10.959   5.149  -5.594
  279    H    GLU  37           H        GLU  37  10.025   9.724  -6.396
  280    HA   GLU  37           HA       GLU  37  11.719  10.281  -4.146
  281    HB2  GLU  37           HB3      GLU  37  11.226  12.245  -6.392
  282    HB3  GLU  37           HB2      GLU  37  12.245  12.611  -5.009
  283    HG2  GLU  37           HG3      GLU  37  13.687  10.691  -5.599
  284    HG3  GLU  37           HG2      GLU  37  12.682  10.402  -7.014
  285    H    GLU  38           H        GLU  38   8.586  12.055  -4.940
  286    HA   GLU  38           HA       GLU  38   8.854  13.411  -2.631
  287    HB2  GLU  38           HB3      GLU  38   6.609  14.209  -3.242
  288    HB3  GLU  38           HB2      GLU  38   7.740  14.282  -4.588
  289    HG2  GLU  38           HG3      GLU  38   6.741  12.296  -5.562
  290    HG3  GLU  38           HG2      GLU  38   5.664  12.121  -4.203
  291    H    ILE  39           H        ILE  39   8.034  10.231  -2.989
  292    HA   ILE  39           HA       ILE  39   5.750  10.145  -1.281
  293    HB   ILE  39           HB       ILE  39   7.453   7.881  -2.384
  294   HG12  ILE  39          HG13      ILE  39   4.748   8.909  -3.230
  295   HG13  ILE  39          HG12      ILE  39   6.266   9.269  -4.062
  296   HG21  ILE  39          HG21      ILE  39   4.650   7.535  -1.561
  297   HG22  ILE  39          HG22      ILE  39   5.856   7.636  -0.268
  298   HG23  ILE  39          HG23      ILE  39   5.987   6.378  -1.515
  299   HD11  ILE  39          HD11      ILE  39   5.347   6.506  -3.516
  300   HD12  ILE  39          HD12      ILE  39   6.468   7.102  -4.767
  301   HD13  ILE  39          HD13      ILE  39   4.712   7.453  -4.878
  302    H    THR  40           H        THR  40   7.253  11.412   0.236
  303    HA   THR  40           HA       THR  40   8.806   9.756   2.041
  304    HB   THR  40           HB       THR  40   9.646  11.875   1.361
  305    HG1  THR  40           HG1      THR  40   8.934  11.683   4.079
  306   HG21  THR  40          HG21      THR  40   7.790  13.062   0.777
  307   HG22  THR  40          HG22      THR  40   8.412  13.987   2.156
  308   HG23  THR  40          HG23      THR  40   7.019  12.871   2.336
  309    H    THR  41           H        THR  41   5.833   9.518   1.873
  310    HA   THR  41           HA       THR  41   5.396   9.014   4.527
  311    HB   THR  41           HB       THR  41   4.727  11.149   4.888
  312    HG1  THR  41           HG1      THR  41   2.831  10.843   5.805
  313   HG21  THR  41          HG21      THR  41   4.304  11.767   2.475
  314   HG22  THR  41          HG22      THR  41   3.300  12.554   3.686
  315   HG23  THR  41          HG23      THR  41   2.640  11.209   2.749
  316    H    GLY  42           H        GLY  42   3.632   7.704   4.960
  317    HA2  GLY  42           HA3      GLY  42   3.361   5.797   2.863
  318    HA3  GLY  42           HA2      GLY  42   2.436   5.732   4.372
  319    H    SER  43           H        SER  43   0.743   7.987   4.303
  320    HA   SER  43           HA       SER  43  -1.183   7.431   2.688
  321    HB2  SER  43           HB3      SER  43  -0.235  10.075   3.819
  322    HB3  SER  43           HB2      SER  43  -1.898   9.687   3.336
  323    HG   SER  43           HG       SER  43  -0.845   9.353   5.673
  324    H    ALA  44           H        ALA  44   1.440   9.502   2.192
  325    HA   ALA  44           HA       ALA  44   0.733  10.940  -0.141
  326    HB1  ALA  44           HB1      ALA  44   3.195  10.719   1.159
  327    HB2  ALA  44           HB2      ALA  44   2.791  11.792  -0.190
  328    HB3  ALA  44           HB3      ALA  44   3.513  10.210  -0.500
  329    H    TRP  45           H        TRP  45   2.389   7.863   0.007
  330    HA   TRP  45           HA       TRP  45   2.428   7.362  -2.769
  331    HB2  TRP  45           HB3      TRP  45   3.759   6.081  -0.942
  332    HB3  TRP  45           HB2      TRP  45   2.214   5.369  -0.575
  333    HD1  TRP  45           HD1      TRP  45   3.563   5.809  -4.194
  334    HE1  TRP  45           HE1      TRP  45   3.658   3.421  -5.195
  335    HE3  TRP  45           HE3      TRP  45   2.301   3.076  -0.057
  336    HZ2  TRP  45           HZ2      TRP  45   3.320   0.833  -4.372
  337    HZ3  TRP  45           HZ3      TRP  45   2.234   0.628  -0.281
  338    HH2  TRP  45           HH2      TRP  45   2.730  -0.423  -2.431
  339    H    PHE  46           H        PHE  46   0.179   6.153  -0.309
  340    HA   PHE  46           HA       PHE  46  -1.400   4.847  -2.163
  341    HB2  PHE  46           HB3      PHE  46  -2.348   6.265   0.305
  342    HB3  PHE  46           HB2      PHE  46  -3.320   5.164  -0.672
  343    HD1  PHE  46           HD1      PHE  46  -2.128   2.904  -1.170
  344    HD2  PHE  46           HD2      PHE  46  -1.362   5.391   2.248
  345    HE1  PHE  46           HE1      PHE  46  -1.470   0.945   0.093
  346    HE2  PHE  46           HE2      PHE  46  -0.714   3.393   3.537
  347    HZ   PHE  46           HZ       PHE  46  -0.781   1.134   2.389
  348    H    SER  47           H        SER  47  -1.828   7.897  -0.953
  349    HA   SER  47           HA       SER  47  -3.882   8.852  -2.697
  350    HB2  SER  47           HB3      SER  47  -1.832  10.538  -1.302
  351    HB3  SER  47           HB2      SER  47  -3.287  11.192  -2.069
  352    HG   SER  47           HG       SER  47  -4.325   9.434  -0.609
  353    H    PHE  48           H        PHE  48  -0.479   8.729  -3.370
  354    HA   PHE  48           HA       PHE  48  -0.620  10.198  -5.861
  355    HB2  PHE  48           HB3      PHE  48   1.566   9.853  -4.910
  356    HB3  PHE  48           HB2      PHE  48   1.287   8.115  -4.763
  357    HD1  PHE  48           HD1      PHE  48   1.095  10.692  -7.502
  358    HD2  PHE  48           HD2      PHE  48   2.241   6.820  -6.231
  359    HE1  PHE  48           HE1      PHE  48   1.819  10.177  -9.740
  360    HE2  PHE  48           HE2      PHE  48   3.001   6.315  -8.503
  361    HZ   PHE  48           HZ       PHE  48   2.781   8.002 -10.265
  362    H    LEU  49           H        LEU  49  -0.428   6.734  -4.978
  363    HA   LEU  49           HA       LEU  49  -0.589   5.548  -7.330
  364    HB2  LEU  49           HB3      LEU  49  -0.279   4.996  -4.837
  365    HB3  LEU  49           HB2      LEU  49  -1.999   4.607  -4.931
  366    HG   LEU  49           HG       LEU  49  -1.382   2.574  -6.415
  367   HD11  LEU  49          HD11      LEU  49   1.451   3.168  -5.976
  368   HD12  LEU  49          HD12      LEU  49   0.642   4.165  -7.198
  369   HD13  LEU  49          HD13      LEU  49   0.642   2.424  -7.363
  370   HD21  LEU  49          HD21      LEU  49  -0.685   1.387  -4.624
  371   HD22  LEU  49          HD22      LEU  49  -0.914   2.879  -3.724
  372   HD23  LEU  49          HD23      LEU  49   0.673   2.475  -4.333
  373    H    GLU  50           H        GLU  50  -3.115   6.074  -5.083
  374    HA   GLU  50           HA       GLU  50  -5.571   5.595  -6.430
  375    HB2  GLU  50           HB3      GLU  50  -5.248   7.960  -4.596
  376    HB3  GLU  50           HB2      GLU  50  -6.787   7.404  -5.213
  377    HG2  GLU  50           HG3      GLU  50  -6.470   5.306  -3.946
  378    HG3  GLU  50           HG2      GLU  50  -4.955   5.977  -3.306
  379    H    SER  51           H        SER  51  -3.960   8.354  -6.304
  380    HA   SER  51           HA       SER  51  -5.474  10.059  -8.057
  381    HB2  SER  51           HB3      SER  51  -2.467  10.358  -7.697
  382    HB3  SER  51           HB2      SER  51  -3.499  11.522  -8.544
  383    HG   SER  51           HG       SER  51  -3.603  10.711  -5.852
  384    H    HIS  52           H        HIS  52  -3.214   7.564  -8.838
  385    HA   HIS  52           HA       HIS  52  -3.824   8.012 -11.685
  386    HB2  HIS  52           HB3      HIS  52  -1.562   6.512 -10.443
  387    HB3  HIS  52           HB2      HIS  52  -1.855   6.377 -12.207
  388    HD1  HIS  52           HD1      HIS  52   0.369   7.459 -12.845
  389    HD2  HIS  52           HD2      HIS  52  -1.779   9.418  -9.986
  390    HE1  HIS  52           HE1      HIS  52   1.615   9.662 -12.536
  391    H    ASN  53           H        ASN  53  -3.505   5.545 -12.700
  392    HA   ASN  53           HA       ASN  53  -5.766   4.141 -11.527
  393    HB2  ASN  53           HB3      ASN  53  -4.343   3.635 -14.156
  394    HB3  ASN  53           HB2      ASN  53  -5.721   2.719 -13.565
  395   HD21  ASN  53          HD22      ASN  53  -4.902   4.902 -15.724
  396   HD22  ASN  53          HD21      ASN  53  -6.337   5.856 -15.799
  397    H    LYS  54           H        LYS  54  -3.459   4.001  -9.899
  398    HA   LYS  54           HA       LYS  54  -2.776   1.222 -10.468
  399    HB2  LYS  54           HB3      LYS  54  -1.052   2.920  -8.629
  400    HB3  LYS  54           HB2      LYS  54  -0.740   1.297  -9.169
  401    HG2  LYS  54           HG3      LYS  54  -0.481   3.843 -10.795
  402    HG3  LYS  54           HG2      LYS  54   0.703   2.619 -10.281
  403    HD2  LYS  54           HD3      LYS  54  -1.516   2.069 -12.236
  404    HD3  LYS  54           HD2      LYS  54   0.094   2.599 -12.702
  405    HE2  LYS  54           HE3      LYS  54   1.047   0.585 -11.660
  406    HE3  LYS  54           HE2      LYS  54  -0.573   0.044 -11.217
  407    HZ1  LYS  54           HZ1      LYS  54   0.268   0.562 -14.044
  408    HZ2  LYS  54           HZ2      LYS  54  -1.177  -0.123 -13.539
  409    HZ3  LYS  54           HZ3      LYS  54   0.275  -0.964 -13.362
  410    H    LEU  55           H        LEU  55  -4.689   3.026  -8.443
  411    HA   LEU  55           HA       LEU  55  -5.281   0.643  -7.009
  412    HB2  LEU  55           HB3      LEU  55  -3.317   1.173  -5.697
  413    HB3  LEU  55           HB2      LEU  55  -3.826   2.819  -5.459
  414    HG   LEU  55           HG       LEU  55  -5.220   0.419  -4.167
  415   HD11  LEU  55          HD11      LEU  55  -3.745   2.094  -2.331
  416   HD12  LEU  55          HD12      LEU  55  -2.669   1.429  -3.549
  417   HD13  LEU  55          HD13      LEU  55  -3.691   0.358  -2.582
  418   HD21  LEU  55          HD21      LEU  55  -6.746   2.014  -3.686
  419   HD22  LEU  55          HD22      LEU  55  -5.633   3.320  -4.065
  420   HD23  LEU  55          HD23      LEU  55  -5.541   2.529  -2.494
  421    H    ASP  56           H        ASP  56  -7.106   0.519  -7.064
  422    HA   ASP  56           HA       ASP  56  -9.181   2.435  -6.692
  423    HB2  ASP  56           HB3      ASP  56  -9.241  -0.581  -7.001
  424    HB3  ASP  56           HB2      ASP  56 -10.640   0.426  -6.690
  425    H    LYS  57           H        LYS  57 -10.511   2.572  -5.319
  426    HA   LYS  57           HA       LYS  57  -9.798   2.500  -2.597
  427    HB2  LYS  57           HB3      LYS  57 -11.912   3.394  -2.243
  428    HB3  LYS  57           HB2      LYS  57 -11.607   3.841  -3.899
  429    HG2  LYS  57           HG3      LYS  57 -13.204   1.526  -2.940
  430    HG3  LYS  57           HG2      LYS  57 -13.894   2.998  -3.642
  431    HD2  LYS  57           HD3      LYS  57 -12.099   1.006  -4.839
  432    HD3  LYS  57           HD2      LYS  57 -13.863   0.927  -5.087
  433    HE2  LYS  57           HE3      LYS  57 -13.544   3.230  -6.251
  434    HE3  LYS  57           HE2      LYS  57 -11.808   2.882  -6.100
  435    HZ1  LYS  57           HZ1      LYS  57 -11.968   1.790  -8.052
  436    HZ2  LYS  57           HZ2      LYS  57 -13.662   1.819  -8.023
  437    HZ3  LYS  57           HZ3      LYS  57 -12.873   0.622  -7.207
  438    H    ASP  58           H        ASP  58 -10.309  -0.092  -4.515
  439    HA   ASP  58           HA       ASP  58 -11.197  -1.829  -2.358
  440    HB2  ASP  58           HB3      ASP  58 -12.183  -2.159  -5.196
  441    HB3  ASP  58           HB2      ASP  58 -12.418  -3.343  -3.931
  442    H    ASN  59           H        ASN  59  -9.425  -1.614  -5.260
  443    HA   ASN  59           HA       ASN  59  -8.523  -4.360  -4.841
  444    HB2  ASN  59           HB3      ASN  59  -7.798  -4.295  -6.997
  445    HB3  ASN  59           HB2      ASN  59  -8.673  -2.763  -7.099
  446   HD21  ASN  59          HD22      ASN  59  -7.587  -1.045  -6.518
  447   HD22  ASN  59          HD21      ASN  59  -5.860  -0.833  -6.959
  448    H    LEU  60           H        LEU  60  -6.691  -4.901  -4.141
  449    HA   LEU  60           HA       LEU  60  -4.907  -2.874  -3.004
  450    HB2  LEU  60           HB3      LEU  60  -4.613  -4.470  -1.079
  451    HB3  LEU  60           HB2      LEU  60  -6.146  -3.654  -1.212
  452    HG   LEU  60           HG       LEU  60  -7.088  -5.739  -2.214
  453   HD11  LEU  60          HD11      LEU  60  -5.012  -6.639  -2.985
  454   HD12  LEU  60          HD12      LEU  60  -5.985  -7.837  -2.090
  455   HD13  LEU  60          HD13      LEU  60  -4.569  -7.071  -1.338
  456   HD21  LEU  60          HD21      LEU  60  -6.510  -6.976   0.214
  457   HD22  LEU  60          HD22      LEU  60  -7.859  -5.887  -0.175
  458   HD23  LEU  60          HD23      LEU  60  -6.374  -5.211   0.488
  459    H    SER  61           H        SER  61  -5.170  -5.377  -4.973
  460    HA   SER  61           HA       SER  61  -3.057  -6.993  -4.767
  461    HB2  SER  61           HB3      SER  61  -4.162  -6.012  -7.398
  462    HB3  SER  61           HB2      SER  61  -3.241  -7.501  -7.162
  463    HG   SER  61           HG       SER  61  -4.883  -8.357  -6.026
  464    H    TYR  62           H        TYR  62  -2.903  -3.946  -6.283
  465    HA   TYR  62           HA       TYR  62  -0.249  -3.996  -7.309
  466    HB2  TYR  62           HB3      TYR  62  -1.788  -2.038  -7.712
  467    HB3  TYR  62           HB2      TYR  62  -1.600  -1.584  -6.019
  468    HD1  TYR  62           HD1      TYR  62   0.149  -1.791  -9.271
  469    HD2  TYR  62           HD2      TYR  62   0.334  -0.395  -5.275
  470    HE1  TYR  62           HE1      TYR  62   2.232  -0.562  -9.772
  471    HE2  TYR  62           HE2      TYR  62   2.442   0.670  -5.691
  472    HH   TYR  62           HH       TYR  62   4.366   0.187  -7.865
  473    H    ILE  63           H        ILE  63  -1.535  -2.969  -4.253
  474    HA   ILE  63           HA       ILE  63   0.999  -2.398  -3.041
  475    HB   ILE  63           HB       ILE  63  -0.134  -1.378  -1.291
  476   HG12  ILE  63          HG13      ILE  63  -2.722  -2.630  -2.183
  477   HG13  ILE  63          HG12      ILE  63  -1.767  -3.322  -0.871
  478   HG21  ILE  63          HG21      ILE  63  -0.656  -0.984  -3.887
  479   HG22  ILE  63          HG22      ILE  63  -0.785   0.215  -2.565
  480   HG23  ILE  63          HG23      ILE  63  -2.190  -0.792  -3.063
  481   HD11  ILE  63          HD11      ILE  63  -2.303  -0.477  -0.790
  482   HD12  ILE  63          HD12      ILE  63  -2.181  -1.645   0.507
  483   HD13  ILE  63          HD13      ILE  63  -3.700  -1.527  -0.455
  484    H    GLU  64           H        GLU  64  -1.090  -5.029  -3.101
  485    HA   GLU  64           HA       GLU  64  -0.407  -6.272  -0.572
  486    HB2  GLU  64           HB3      GLU  64  -2.476  -6.987  -1.831
  487    HB3  GLU  64           HB2      GLU  64  -1.460  -7.589  -3.115
  488    HG2  GLU  64           HG3      GLU  64  -0.570  -9.335  -1.659
  489    HG3  GLU  64           HG2      GLU  64  -1.485  -8.688  -0.301
  490    H    HIS  65           H        HIS  65   0.662  -6.827  -3.919
  491    HA   HIS  65           HA       HIS  65   2.941  -8.385  -3.484
  492    HB2  HIS  65           HB3      HIS  65   1.885  -7.639  -5.670
  493    HB3  HIS  65           HB2      HIS  65   2.416  -6.020  -5.273
  494    HD1  HIS  65           HD1      HIS  65   3.981  -9.427  -6.014
  495    HD2  HIS  65           HD2      HIS  65   4.684  -5.365  -6.354
  496    HE1  HIS  65           HE1      HIS  65   6.232  -9.261  -7.109
  497    H    ILE  66           H        ILE  66   2.933  -5.000  -3.702
  498    HA   ILE  66           HA       ILE  66   5.430  -4.487  -3.066
  499    HB   ILE  66           HB       ILE  66   3.187  -2.955  -1.845
  500   HG12  ILE  66          HG13      ILE  66   2.941  -3.336  -4.026
  501   HG13  ILE  66          HG12      ILE  66   3.266  -1.576  -3.966
  502   HG21  ILE  66          HG21      ILE  66   5.211  -2.154  -0.749
  503   HG22  ILE  66          HG22      ILE  66   4.827  -0.966  -1.986
  504   HG23  ILE  66          HG23      ILE  66   6.112  -2.104  -2.258
  505   HD11  ILE  66          HD11      ILE  66   4.343  -3.652  -5.531
  506   HD12  ILE  66          HD12      ILE  66   5.647  -3.113  -4.462
  507   HD13  ILE  66          HD13      ILE  66   4.797  -1.941  -5.538
  508    H    PHE  67           H        PHE  67   2.894  -4.975  -0.453
  509    HA   PHE  67           HA       PHE  67   4.767  -4.729   1.428
  510    HB2  PHE  67           HB3      PHE  67   2.045  -6.010   1.544
  511    HB3  PHE  67           HB2      PHE  67   3.071  -5.590   2.928
  512    HD1  PHE  67           HD1      PHE  67   4.007  -3.081   2.735
  513    HD2  PHE  67           HD2      PHE  67   0.451  -4.601   1.056
  514    HE1  PHE  67           HE1      PHE  67   3.115  -0.789   2.637
  515    HE2  PHE  67           HE2      PHE  67  -0.485  -2.341   0.953
  516    HZ   PHE  67           HZ       PHE  67   0.852  -0.413   1.717
  517    H    GLU  68           H        GLU  68   3.923  -7.572  -0.636
  518    HA   GLU  68           HA       GLU  68   4.929  -9.557   1.184
  519    HB2  GLU  68           HB3      GLU  68   3.290 -10.007  -0.600
  520    HB3  GLU  68           HB2      GLU  68   4.417  -9.409  -1.786
  521    HG2  GLU  68           HG3      GLU  68   4.426 -11.753  -1.831
  522    HG3  GLU  68           HG2      GLU  68   5.951 -11.072  -1.163
  523    H    ILE  69           H        ILE  69   6.103  -8.038  -1.733
  524    HA   ILE  69           HA       ILE  69   8.568  -9.148  -1.587
  525    HB   ILE  69           HB       ILE  69   9.338  -7.547  -3.182
  526   HG12  ILE  69          HG13      ILE  69   6.616  -6.281  -2.841
  527   HG13  ILE  69          HG12      ILE  69   8.159  -5.522  -2.435
  528   HG21  ILE  69          HG21      ILE  69   6.740  -8.138  -4.289
  529   HG22  ILE  69          HG22      ILE  69   7.403  -9.493  -3.377
  530   HG23  ILE  69          HG23      ILE  69   8.321  -8.808  -4.731
  531   HD11  ILE  69          HD11      ILE  69   6.921  -5.075  -4.713
  532   HD12  ILE  69          HD12      ILE  69   7.736  -6.590  -5.121
  533   HD13  ILE  69          HD13      ILE  69   8.694  -5.187  -4.608
  534    H    SER  70           H        SER  70   7.575  -6.183  -0.119
  535    HA   SER  70           HA       SER  70  10.271  -5.470   0.705
  536    HB2  SER  70           HB3      SER  70   7.643  -4.242   1.487
  537    HB3  SER  70           HB2      SER  70   9.264  -3.580   1.713
  538    HG   SER  70           HG       SER  70   7.803  -3.954  -0.619
  539    H    ARG  71           H        ARG  71  10.852  -5.281   2.966
  540    HA   ARG  71           HA       ARG  71   9.825  -7.468   4.409
  541    HB2  ARG  71           HB3      ARG  71  12.103  -5.686   5.113
  542    HB3  ARG  71           HB2      ARG  71  11.551  -6.980   6.176
  543    HG2  ARG  71           HG3      ARG  71  12.549  -7.194   3.388
  544    HG3  ARG  71           HG2      ARG  71  13.373  -7.801   4.852
  545    HD2  ARG  71           HD3      ARG  71  11.327  -9.281   5.176
  546    HD3  ARG  71           HD2      ARG  71  10.798  -8.779   3.584
  547    HE   ARG  71           HE       ARG  71  13.456  -9.821   3.690
  548   HH11  ARG  71          HH11      ARG  71  10.106 -10.505   2.760
  549   HH12  ARG  71          HH12      ARG  71  10.338 -12.152   2.447
  550   HH21  ARG  71          HH22      ARG  71  13.788 -12.199   3.351
  551   HH22  ARG  71          HH21      ARG  71  12.505 -13.160   2.817
  552    H    ARG  72           H        ARG  72   7.825  -6.381   4.395
  553    HA   ARG  72           HA       ARG  72   7.169  -5.447   7.057
  554    HB2  ARG  72           HB3      ARG  72   6.488  -3.973   4.519
  555    HB3  ARG  72           HB2      ARG  72   5.609  -3.707   5.997
  556    HG2  ARG  72           HG3      ARG  72   8.539  -3.457   5.975
  557    HG3  ARG  72           HG2      ARG  72   7.582  -2.114   5.320
  558    HD2  ARG  72           HD3      ARG  72   8.274  -1.702   7.626
  559    HD3  ARG  72           HD2      ARG  72   6.535  -1.899   7.528
  560    HE   ARG  72           HE       ARG  72   7.545  -4.348   8.341
  561   HH11  ARG  72          HH11      ARG  72   7.889  -1.026   9.583
  562   HH12  ARG  72          HH12      ARG  72   7.673  -1.445  11.193
  563   HH21  ARG  72          HH22      ARG  72   7.212  -4.941  10.575
  564   HH22  ARG  72          HH21      ARG  72   7.286  -3.751  11.796
  565    HA   PRO  73           HA       PRO  73   4.398  -8.666   5.029
  566    HB2  PRO  73           HB2      PRO  73   4.778 -10.652   6.811
  567    HB3  PRO  73           HB3      PRO  73   5.853 -10.415   5.426
  568    HG2  PRO  73           HG3      PRO  73   6.166  -9.454   8.217
  569    HG3  PRO  73           HG2      PRO  73   7.342 -10.370   7.198
  570    HD2  PRO  73           HD3      PRO  73   7.495  -7.726   7.515
  571    HD3  PRO  73           HD2      PRO  73   7.838  -8.468   5.938
  572    H    ASP  74           H        ASP  74   4.937  -7.094   7.944
  573    HA   ASP  74           HA       ASP  74   2.759  -7.946   9.595
  574    HB2  ASP  74           HB3      ASP  74   4.148  -5.261   9.445
  575    HB3  ASP  74           HB2      ASP  74   3.279  -5.873  10.832
  576    H    LEU  75           H        LEU  75   3.436  -5.403   7.578
  577    HA   LEU  75           HA       LEU  75   0.866  -4.144   7.418
  578    HB2  LEU  75           HB3      LEU  75   3.226  -3.844   5.539
  579    HB3  LEU  75           HB2      LEU  75   1.734  -2.947   5.341
  580    HG   LEU  75           HG       LEU  75   2.200  -1.712   7.481
  581   HD11  LEU  75          HD11      LEU  75   3.357  -3.272   8.824
  582   HD12  LEU  75          HD12      LEU  75   4.476  -1.969   8.480
  583   HD13  LEU  75          HD13      LEU  75   4.608  -3.500   7.619
  584   HD21  LEU  75          HD21      LEU  75   3.728  -0.347   6.576
  585   HD22  LEU  75          HD22      LEU  75   3.184  -1.201   5.142
  586   HD23  LEU  75          HD23      LEU  75   4.702  -1.659   5.909
  587    H    LEU  76           H        LEU  76   2.535  -6.161   5.253
  588    HA   LEU  76           HA       LEU  76   0.635  -6.804   3.156
  589    HB2  LEU  76           HB3      LEU  76   2.831  -8.120   3.393
  590    HB3  LEU  76           HB2      LEU  76   1.961  -9.059   4.633
  591    HG   LEU  76           HG       LEU  76   0.249  -9.433   2.817
  592   HD11  LEU  76          HD11      LEU  76   0.573  -8.310   1.082
  593   HD12  LEU  76          HD12      LEU  76   1.382  -9.819   0.595
  594   HD13  LEU  76          HD13      LEU  76   2.340  -8.455   1.112
  595   HD21  LEU  76          HD21      LEU  76   1.947 -11.359   1.896
  596   HD22  LEU  76          HD22      LEU  76   0.963 -11.407   3.365
  597   HD23  LEU  76          HD23      LEU  76   2.674 -10.929   3.444
  598    H    THR  77           H        THR  77   1.013  -8.497   6.055
  599    HA   THR  77           HA       THR  77  -1.170 -10.117   6.204
  600    HB   THR  77           HB       THR  77   0.299  -8.725   8.352
  601    HG1  THR  77           HG1      THR  77   1.636 -10.144   7.503
  602   HG21  THR  77          HG21      THR  77  -1.459  -9.220   9.534
  603   HG22  THR  77          HG22      THR  77  -0.632 -10.800   9.684
  604   HG23  THR  77          HG23      THR  77  -1.930 -10.580   8.464
  605    H    MET  78           H        MET  78  -1.003  -6.852   7.294
  606    HA   MET  78           HA       MET  78  -3.676  -6.664   8.214
  607    HB2  MET  78           HB3      MET  78  -1.871  -4.443   7.245
  608    HB3  MET  78           HB2      MET  78  -3.398  -4.191   8.057
  609    HG2  MET  78           HG3      MET  78  -1.198  -5.781   9.240
  610    HG3  MET  78           HG2      MET  78  -1.308  -4.042   9.526
  611    HE1  MET  78           HE1      MET  78  -4.273  -7.260  11.214
  612    HE2  MET  78           HE2      MET  78  -2.728  -7.707  10.480
  613    HE3  MET  78           HE3      MET  78  -4.028  -7.036   9.488
  614    H    VAL  79           H        VAL  79  -2.295  -6.207   5.043
  615    HA   VAL  79           HA       VAL  79  -4.666  -5.221   3.759
  616    HB   VAL  79           HB       VAL  79  -2.290  -6.731   2.615
  617   HG11  VAL  79          HG11      VAL  79  -4.422  -5.084   1.333
  618   HG12  VAL  79          HG12      VAL  79  -3.861  -6.705   0.913
  619   HG13  VAL  79          HG13      VAL  79  -2.858  -5.300   0.560
  620   HG21  VAL  79          HG21      VAL  79  -1.377  -4.529   2.080
  621   HG22  VAL  79          HG22      VAL  79  -1.458  -4.891   3.800
  622   HG23  VAL  79          HG23      VAL  79  -2.635  -3.779   3.087
  623    H    VAL  80           H        VAL  80  -3.036  -8.323   3.969
  624    HA   VAL  80           HA       VAL  80  -4.913 -10.024   2.683
  625    HB   VAL  80           HB       VAL  80  -2.999 -10.682   4.990
  626   HG11  VAL  80          HG11      VAL  80  -4.788 -12.307   4.633
  627   HG12  VAL  80          HG12      VAL  80  -3.167 -12.944   4.391
  628   HG13  VAL  80          HG13      VAL  80  -4.202 -12.573   2.988
  629   HG21  VAL  80          HG21      VAL  80  -1.934 -11.685   2.619
  630   HG22  VAL  80          HG22      VAL  80  -1.362 -10.293   3.532
  631   HG23  VAL  80          HG23      VAL  80  -2.492 -10.060   2.207
  632    H    ASP  81           H        ASP  81  -4.525  -9.506   5.952
  633    HA   ASP  81           HA       ASP  81  -6.735 -10.894   7.026
  634    HB2  ASP  81           HB3      ASP  81  -5.041  -9.945   8.568
  635    HB3  ASP  81           HB2      ASP  81  -5.737  -8.336   8.338
  636    H    TYR  82           H        TYR  82  -6.519  -7.618   6.085
  637    HA   TYR  82           HA       TYR  82  -9.080  -6.495   6.587
  638    HB2  TYR  82           HB3      TYR  82  -7.350  -5.100   5.818
  639    HB3  TYR  82           HB2      TYR  82  -7.141  -6.033   4.337
  640    HD1  TYR  82           HD2      TYR  82  -9.764  -3.960   6.083
  641    HD2  TYR  82           HD1      TYR  82  -8.086  -5.433   2.483
  642    HE1  TYR  82           HE2      TYR  82 -11.233  -2.484   4.798
  643    HE2  TYR  82           HE1      TYR  82  -9.574  -4.041   1.184
  644    HH   TYR  82           HH       TYR  82 -11.314  -2.618   1.250
  645    H    ARG  83           H        ARG  83  -7.802  -8.082   3.698
  646    HA   ARG  83           HA       ARG  83 -10.028  -7.963   2.094
  647    HB2  ARG  83           HB3      ARG  83  -7.889  -8.254   1.219
  648    HB3  ARG  83           HB2      ARG  83  -7.541  -9.588   2.265
  649    HG2  ARG  83           HG3      ARG  83  -9.603  -9.936   0.226
  650    HG3  ARG  83           HG2      ARG  83  -7.903  -9.907  -0.326
  651    HD2  ARG  83           HD3      ARG  83  -7.711 -11.676   1.594
  652    HD3  ARG  83           HD2      ARG  83  -9.454 -11.831   1.372
  653    HE   ARG  83           HE       ARG  83  -9.072 -12.948  -0.548
  654   HH11  ARG  83          HH11      ARG  83  -6.051 -11.022   0.144
  655   HH12  ARG  83          HH12      ARG  83  -5.260 -11.471  -1.258
  656   HH21  ARG  83          HH22      ARG  83  -7.812 -13.566  -2.587
  657   HH22  ARG  83          HH21      ARG  83  -6.249 -12.888  -2.778
  658    H    THR  84           H        THR  84  -8.976 -10.336   4.033
  659    HA   THR  84           HA       THR  84 -11.129 -12.209   3.773
  660    HB   THR  84           HB       THR  84  -9.409 -11.839   6.177
  661    HG1  THR  84           HG1      THR  84  -7.880 -12.313   4.717
  662   HG21  THR  84          HG21      THR  84  -9.760 -14.395   6.048
  663   HG22  THR  84          HG22      THR  84 -11.134 -13.849   5.033
  664   HG23  THR  84          HG23      THR  84 -10.974 -13.240   6.711
  665    H    ARG  85           H        ARG  85 -10.464 -10.409   6.391
  666    HA   ARG  85           HA       ARG  85 -12.636 -10.604   7.945
  667    HB2  ARG  85           HB3      ARG  85 -12.227  -8.604   9.304
  668    HB3  ARG  85           HB2      ARG  85 -10.749  -9.467   8.962
  669    HG2  ARG  85           HG3      ARG  85 -10.179  -7.782   7.234
  670    HG3  ARG  85           HG2      ARG  85 -11.657  -6.903   7.616
  671    HD2  ARG  85           HD3      ARG  85  -9.447  -7.581   9.490
  672    HD3  ARG  85           HD2      ARG  85  -9.727  -6.000   8.675
  673    HE   ARG  85           HE       ARG  85 -10.992  -7.046  11.012
  674   HH11  ARG  85          HH11      ARG  85 -11.319  -4.651   8.388
  675   HH12  ARG  85          HH12      ARG  85 -12.775  -3.975   8.993
  676   HH21  ARG  85          HH22      ARG  85 -13.119  -6.041  11.796
  677   HH22  ARG  85          HH21      ARG  85 -13.712  -4.724  10.888
  678    H    VAL  86           H        VAL  86 -12.191  -7.994   5.983
  679    HA   VAL  86           HA       VAL  86 -14.653  -6.853   6.303
  680    HB   VAL  86           HB       VAL  86 -12.784  -6.502   4.012
  681   HG11  VAL  86          HG11      VAL  86 -14.233  -4.936   2.998
  682   HG12  VAL  86          HG12      VAL  86 -14.670  -4.250   4.553
  683   HG13  VAL  86          HG13      VAL  86 -15.483  -5.710   3.978
  684   HG21  VAL  86          HG21      VAL  86 -13.325  -5.107   6.593
  685   HG22  VAL  86          HG22      VAL  86 -12.507  -4.246   5.293
  686   HG23  VAL  86          HG23      VAL  86 -11.818  -5.742   5.941
  687    H    LEU  87           H        LEU  87 -13.532  -9.238   4.141
  688    HA   LEU  87           HA       LEU  87 -15.667  -9.685   2.303
  689    HB2  LEU  87           HB3      LEU  87 -13.289 -10.586   2.367
  690    HB3  LEU  87           HB2      LEU  87 -13.771 -11.557   3.720
  691    HG   LEU  87           HG       LEU  87 -13.414 -12.881   1.812
  692   HD11  LEU  87          HD11      LEU  87 -15.422 -14.181   1.644
  693   HD12  LEU  87          HD12      LEU  87 -16.356 -12.840   2.318
  694   HD13  LEU  87          HD13      LEU  87 -15.094 -13.626   3.284
  695   HD21  LEU  87          HD21      LEU  87 -15.341 -11.082   0.375
  696   HD22  LEU  87          HD22      LEU  87 -14.807 -12.653  -0.264
  697   HD23  LEU  87          HD23      LEU  87 -13.627 -11.378   0.074
  698    H    LYS  88           H        LYS  88 -14.852 -10.953   5.409
  699    HA   LYS  88           HA       LYS  88 -17.078 -12.579   6.019
  700    HB2  LYS  88           HB3      LYS  88 -14.921 -12.758   7.179
  701    HB3  LYS  88           HB2      LYS  88 -15.170 -11.173   7.885
  702    HG2  LYS  88           HG3      LYS  88 -15.531 -12.925   9.508
  703    HG3  LYS  88           HG2      LYS  88 -17.042 -12.067   9.182
  704    HD2  LYS  88           HD3      LYS  88 -17.786 -13.893   7.758
  705    HD3  LYS  88           HD2      LYS  88 -16.247 -14.711   7.956
  706    HE2  LYS  88           HE3      LYS  88 -17.954 -15.677   9.381
  707    HE3  LYS  88           HE2      LYS  88 -16.656 -14.968  10.342
  708    HZ1  LYS  88           HZ1      LYS  88 -19.373 -13.866   9.838
  709    HZ2  LYS  88           HZ2      LYS  88 -18.189 -12.993  10.707
  710    HZ3  LYS  88           HZ3      LYS  88 -18.765 -14.453  11.295
  711    H    ILE  89           H        ILE  89 -16.550  -9.122   6.624
  712    HA   ILE  89           HA       ILE  89 -18.815  -8.793   8.267
  713    HB   ILE  89           HB       ILE  89 -16.941  -6.971   6.800
  714   HG12  ILE  89          HG13      ILE  89 -17.228  -7.542   9.743
  715   HG13  ILE  89          HG12      ILE  89 -15.945  -8.183   8.698
  716   HG21  ILE  89          HG21      ILE  89 -18.624  -5.616   6.803
  717   HG22  ILE  89          HG22      ILE  89 -17.981  -5.219   8.421
  718   HG23  ILE  89          HG23      ILE  89 -19.383  -6.324   8.238
  719   HD11  ILE  89          HD11      ILE  89 -16.407  -5.262   9.230
  720   HD12  ILE  89          HD12      ILE  89 -15.018  -6.000   8.427
  721   HD13  ILE  89          HD13      ILE  89 -15.296  -6.271  10.144
  722    H    SER  90           H        SER  90 -17.914  -7.922   4.975
  723    HA   SER  90           HA       SER  90 -20.561  -6.964   4.364
  724    HB2  SER  90           HB3      SER  90 -18.080  -7.179   2.671
  725    HB3  SER  90           HB2      SER  90 -19.544  -6.314   2.230
  726    HG   SER  90           HG       SER  90 -17.520  -5.574   3.914
  Start of MODEL   13
    1    H1   MET   1           H        MET   1 -16.215   0.590   0.826
    2    H2   MET   1           H2       MET   1 -14.992  -0.217   1.632
    3    H3   MET   1           H3       MET   1 -15.987   0.826   2.492
    4    HA   MET   1           HA       MET   1 -13.773   1.397   0.642
    5    HB2  MET   1           HB3      MET   1 -16.026   3.282   1.314
    6    HB3  MET   1           HB2      MET   1 -14.540   3.766   0.504
    7    HG2  MET   1           HG3      MET   1 -15.119   2.322  -1.392
    8    HG3  MET   1           HG2      MET   1 -16.606   1.856  -0.556
    9    HE1  MET   1           HE1      MET   1 -17.352   2.337  -2.933
   10    HE2  MET   1           HE2      MET   1 -16.654   3.731  -3.760
   11    HE3  MET   1           HE3      MET   1 -18.313   3.799  -3.168
   12    H    ALA   2           H        ALA   2 -15.517   2.486   3.376
   13    HA   ALA   2           HA       ALA   2 -13.447   4.018   4.503
   14    HB1  ALA   2           HB1      ALA   2 -14.988   4.624   6.031
   15    HB2  ALA   2           HB2      ALA   2 -14.882   3.034   6.783
   16    HB3  ALA   2           HB3      ALA   2 -16.031   3.312   5.477
   17    H    GLU   3           H        GLU   3 -14.230   0.927   5.678
   18    HA   GLU   3           HA       GLU   3 -12.215   0.424   7.312
   19    HB2  GLU   3           HB3      GLU   3 -13.072  -1.636   5.274
   20    HB3  GLU   3           HB2      GLU   3 -12.231  -1.974   6.788
   21    HG2  GLU   3           HG3      GLU   3 -14.869  -0.619   6.586
   22    HG3  GLU   3           HG2      GLU   3 -14.691  -2.377   6.862
   23    H    TYR   4           H        TYR   4 -12.153   0.218   4.078
   24    HA   TYR   4           HA       TYR   4  -9.412  -0.539   3.433
   25    HB2  TYR   4           HB3      TYR   4 -11.114  -0.489   1.617
   26    HB3  TYR   4           HB2      TYR   4 -10.996   1.279   1.566
   27    HD1  TYR   4           HD1      TYR   4  -8.595  -1.555   1.716
   28    HD2  TYR   4           HD2      TYR   4  -9.761   1.946  -0.464
   29    HE1  TYR   4           HE1      TYR   4  -6.811  -1.933   0.131
   30    HE2  TYR   4           HE2      TYR   4  -7.971   1.560  -1.999
   31    HH   TYR   4           HH       TYR   4  -6.600  -0.179  -2.790
   32    H    GLY   5           H        GLY   5 -10.953   2.511   3.600
   33    HA2  GLY   5           HA3      GLY   5  -8.808   4.343   3.289
   34    HA3  GLY   5           HA2      GLY   5 -10.173   4.719   4.341
   35    H    THR   6           H        THR   6  -9.883   2.899   6.414
   36    HA   THR   6           HA       THR   6  -7.699   3.932   7.883
   37    HB   THR   6           HB       THR   6  -9.478   1.565   8.432
   38    HG1  THR   6           HG1      THR   6  -9.955   4.167   8.180
   39   HG21  THR   6          HG21      THR   6  -8.865   1.897  10.704
   40   HG22  THR   6          HG22      THR   6  -8.107   3.453  10.280
   41   HG23  THR   6          HG23      THR   6  -7.392   1.932   9.699
   42    H    LEU   7           H        LEU   7  -8.339   0.940   6.375
   43    HA   LEU   7           HA       LEU   7  -6.119  -0.683   6.972
   44    HB2  LEU   7           HB3      LEU   7  -7.665  -1.523   5.330
   45    HB3  LEU   7           HB2      LEU   7  -7.184  -0.289   4.183
   46    HG   LEU   7           HG       LEU   7  -4.924  -1.303   4.127
   47   HD11  LEU   7          HD11      LEU   7  -4.892  -3.743   4.890
   48   HD12  LEU   7          HD12      LEU   7  -6.213  -3.231   5.944
   49   HD13  LEU   7          HD13      LEU   7  -4.630  -2.447   6.058
   50   HD21  LEU   7          HD21      LEU   7  -5.496  -2.934   2.531
   51   HD22  LEU   7          HD22      LEU   7  -6.851  -1.793   2.531
   52   HD23  LEU   7          HD23      LEU   7  -7.006  -3.313   3.369
   53    H    LEU   8           H        LEU   8  -6.113   1.448   4.423
   54    HA   LEU   8           HA       LEU   8  -3.323   1.509   3.706
   55    HB2  LEU   8           HB3      LEU   8  -5.203   3.852   3.351
   56    HB3  LEU   8           HB2      LEU   8  -3.519   3.793   2.859
   57    HG   LEU   8           HG       LEU   8  -3.942   2.193   1.152
   58   HD11  LEU   8          HD11      LEU   8  -5.571   0.795   2.330
   59   HD12  LEU   8          HD12      LEU   8  -6.105   1.215   0.701
   60   HD13  LEU   8          HD13      LEU   8  -6.790   2.046   2.105
   61   HD21  LEU   8          HD21      LEU   8  -4.799   4.667   1.027
   62   HD22  LEU   8          HD22      LEU   8  -6.347   3.874   0.729
   63   HD23  LEU   8          HD23      LEU   8  -4.955   3.544  -0.315
   64    H    GLN   9           H        GLN   9  -5.071   3.340   5.963
   65    HA   GLN   9           HA       GLN   9  -2.984   4.974   6.912
   66    HB2  GLN   9           HB3      GLN   9  -5.070   5.926   6.911
   67    HB3  GLN   9           HB2      GLN   9  -5.828   4.455   7.477
   68    HG2  GLN   9           HG3      GLN   9  -5.428   4.760   9.435
   69    HG3  GLN   9           HG2      GLN   9  -3.987   5.879   9.333
   70   HE21  GLN   9          HE22      GLN   9  -4.543   7.930   9.527
   71   HE22  GLN   9          HE21      GLN   9  -6.127   8.617   9.566
   72    H    ASP  10           H        ASP  10  -4.035   2.075   7.621
   73    HA   ASP  10           HA       ASP  10  -2.994   1.840  10.300
   74    HB2  ASP  10           HB3      ASP  10  -4.490  -0.306   8.862
   75    HB3  ASP  10           HB2      ASP  10  -3.484  -0.679  10.258
   76    H    LEU  11           H        LEU  11  -2.048   0.806   7.160
   77    HA   LEU  11           HA       LEU  11   0.299  -0.352   8.240
   78    HB2  LEU  11           HB3      LEU  11   0.978  -0.756   5.971
   79    HB3  LEU  11           HB2      LEU  11  -0.596  -1.505   6.321
   80    HG   LEU  11           HG       LEU  11  -1.433   0.643   5.148
   81   HD11  LEU  11          HD11      LEU  11   0.042   1.928   4.153
   82   HD12  LEU  11          HD12      LEU  11   0.883   0.548   3.421
   83   HD13  LEU  11          HD13      LEU  11   1.270   1.055   5.067
   84   HD21  LEU  11          HD21      LEU  11  -1.564  -1.815   4.431
   85   HD22  LEU  11          HD22      LEU  11  -0.153  -1.503   3.453
   86   HD23  LEU  11          HD23      LEU  11  -1.642  -0.616   3.129
   87    H    THR  12           H        THR  12  -0.842   2.476   7.070
   88    HA   THR  12           HA       THR  12   1.523   4.002   6.632
   89    HB   THR  12           HB       THR  12  -1.334   4.702   7.106
   90    HG1  THR  12           HG1      THR  12  -1.062   4.063   5.146
   91   HG21  THR  12          HG21      THR  12   0.807   6.401   7.586
   92   HG22  THR  12          HG22      THR  12  -0.960   6.736   7.566
   93   HG23  THR  12          HG23      THR  12  -0.025   6.852   6.035
   94    H    ASN  13           H        ASN  13  -0.419   3.367   9.520
   95    HA   ASN  13           HA       ASN  13   0.920   5.089  11.355
   96    HB2  ASN  13           HB3      ASN  13  -0.256   2.354  11.927
   97    HB3  ASN  13           HB2      ASN  13   0.193   3.535  13.153
   98   HD21  ASN  13          HD22      ASN  13  -2.294   2.106  11.960
   99   HD22  ASN  13          HD21      ASN  13  -3.504   3.295  11.939
  100    H    ASN  14           H        ASN  14   1.521   1.923  10.133
  101    HA   ASN  14           HA       ASN  14   3.867   1.555  11.821
  102    HB2  ASN  14           HB3      ASN  14   2.495  -0.376   9.900
  103    HB3  ASN  14           HB2      ASN  14   3.909  -0.734  10.869
  104   HD21  ASN  14          HD22      ASN  14   0.516  -0.679  10.903
  105   HD22  ASN  14          HD21      ASN  14   0.314  -0.866  12.602
  106    H    ILE  15           H        ILE  15   3.362   3.114   9.028
  107    HA   ILE  15           HA       ILE  15   5.619   2.157   7.549
  108    HB   ILE  15           HB       ILE  15   3.432   4.108   7.013
  109   HG12  ILE  15          HG13      ILE  15   3.296   1.776   6.276
  110   HG13  ILE  15          HG12      ILE  15   3.176   2.932   4.960
  111   HG21  ILE  15          HG21      ILE  15   5.832   4.111   5.277
  112   HG22  ILE  15          HG22      ILE  15   5.504   5.362   6.499
  113   HG23  ILE  15          HG23      ILE  15   4.380   5.097   5.152
  114   HD11  ILE  15          HD11      ILE  15   4.917   0.755   5.075
  115   HD12  ILE  15          HD12      ILE  15   5.951   2.154   5.384
  116   HD13  ILE  15          HD13      ILE  15   4.988   2.100   3.936
  117    H    THR  16           H        THR  16   7.563   2.641   8.038
  118    HA   THR  16           HA       THR  16   8.223   5.204   9.133
  119    HB   THR  16           HB       THR  16  10.462   4.343   9.296
  120    HG1  THR  16           HG1      THR  16   9.583   1.777   8.533
  121   HG21  THR  16          HG21      THR  16  10.142   2.759  10.955
  122   HG22  THR  16          HG22      THR  16   8.606   2.276  10.169
  123   HG23  THR  16          HG23      THR  16   8.774   3.912  10.919
  124    H    LEU  17           H        LEU  17   9.546   6.356   8.070
  125    HA   LEU  17           HA       LEU  17   9.361   6.559   5.223
  126    HB2  LEU  17           HB3      LEU  17  11.660   7.745   6.826
  127    HB3  LEU  17           HB2      LEU  17  11.535   7.889   5.075
  128    HG   LEU  17           HG       LEU  17   9.539   9.004   7.074
  129   HD11  LEU  17          HD11      LEU  17  10.403  11.166   6.263
  130   HD12  LEU  17          HD12      LEU  17  11.652  10.296   5.383
  131   HD13  LEU  17          HD13      LEU  17  11.619  10.244   7.157
  132   HD21  LEU  17          HD21      LEU  17   8.176   8.951   5.322
  133   HD22  LEU  17          HD22      LEU  17   9.473   8.471   4.232
  134   HD23  LEU  17          HD23      LEU  17   9.221  10.184   4.614
  135    H    GLU  18           H        GLU  18  11.805   4.947   7.054
  136    HA   GLU  18           HA       GLU  18  13.208   3.896   4.856
  137    HB2  GLU  18           HB3      GLU  18  12.856   2.544   7.537
  138    HB3  GLU  18           HB2      GLU  18  14.030   2.059   6.318
  139    HG2  GLU  18           HG3      GLU  18  15.138   4.214   6.551
  140    HG3  GLU  18           HG2      GLU  18  13.971   4.717   7.758
  141    H    ASP  19           H        ASP  19  10.620   2.522   6.565
  142    HA   ASP  19           HA       ASP  19  10.197   0.183   4.943
  143    HB2  ASP  19           HB3      ASP  19   8.141   1.717   6.568
  144    HB3  ASP  19           HB2      ASP  19   7.658   0.266   5.644
  145    H    LEU  20           H        LEU  20   8.491   3.274   4.542
  146    HA   LEU  20           HA       LEU  20   7.591   2.674   2.098
  147    HB2  LEU  20           HB3      LEU  20   8.349   5.286   3.149
  148    HB3  LEU  20           HB2      LEU  20   7.904   5.143   1.450
  149    HG   LEU  20           HG       LEU  20   6.174   4.397   3.791
  150   HD11  LEU  20          HD11      LEU  20   4.926   6.269   2.246
  151   HD12  LEU  20          HD12      LEU  20   6.613   6.777   2.159
  152   HD13  LEU  20          HD13      LEU  20   5.820   6.634   3.720
  153   HD21  LEU  20          HD21      LEU  20   5.582   2.870   2.091
  154   HD22  LEU  20          HD22      LEU  20   5.844   4.032   0.804
  155   HD23  LEU  20          HD23      LEU  20   4.453   4.180   1.859
  156    H    GLU  21           H        GLU  21  10.764   3.934   2.731
  157    HA   GLU  21           HA       GLU  21  11.719   4.223   0.116
  158    HB2  GLU  21           HB3      GLU  21  13.083   3.230   2.618
  159    HB3  GLU  21           HB2      GLU  21  13.957   3.498   1.120
  160    HG2  GLU  21           HG3      GLU  21  12.373   5.606   2.505
  161    HG3  GLU  21           HG2      GLU  21  14.086   5.332   2.864
  162    H    GLN  22           H        GLN  22  11.454   1.610   2.193
  163    HA   GLN  22           HA       GLN  22  12.698  -0.355   0.549
  164    HB2  GLN  22           HB3      GLN  22  12.522  -0.593   3.025
  165    HB3  GLN  22           HB2      GLN  22  10.805  -0.931   2.791
  166    HG2  GLN  22           HG3      GLN  22  11.994  -3.057   3.008
  167    HG3  GLN  22           HG2      GLN  22  11.427  -2.747   1.331
  168   HE21  GLN  22          HE22      GLN  22  12.639  -3.428   0.000
  169   HE22  GLN  22          HE21      GLN  22  14.375  -3.373  -0.034
  170    H    LEU  23           H        LEU  23   9.177   0.319   1.150
  171    HA   LEU  23           HA       LEU  23   8.209  -1.533  -0.613
  172    HB2  LEU  23           HB3      LEU  23   7.180   1.234   0.145
  173    HB3  LEU  23           HB2      LEU  23   6.233  -0.020  -0.622
  174    HG   LEU  23           HG       LEU  23   7.407  -0.045   2.112
  175   HD11  LEU  23          HD11      LEU  23   5.155   0.255   2.879
  176   HD12  LEU  23          HD12      LEU  23   4.551   0.095   1.227
  177   HD13  LEU  23          HD13      LEU  23   5.536   1.494   1.680
  178   HD21  LEU  23          HD21      LEU  23   5.493  -2.014   2.030
  179   HD22  LEU  23          HD22      LEU  23   7.228  -2.241   2.011
  180   HD23  LEU  23          HD23      LEU  23   6.345  -2.205   0.498
  181    H    LYS  24           H        LYS  24   9.230   1.599  -0.936
  182    HA   LYS  24           HA       LYS  24   8.677   2.068  -3.742
  183    HB2  LYS  24           HB3      LYS  24  10.870   3.450  -2.160
  184    HB3  LYS  24           HB2      LYS  24  10.439   3.906  -3.786
  185    HG2  LYS  24           HG3      LYS  24   8.591   4.105  -1.373
  186    HG3  LYS  24           HG2      LYS  24   9.474   5.454  -2.067
  187    HD2  LYS  24           HD3      LYS  24   7.200   5.571  -2.779
  188    HD3  LYS  24           HD2      LYS  24   8.153   5.076  -4.163
  189    HE2  LYS  24           HE3      LYS  24   6.074   3.787  -4.015
  190    HE3  LYS  24           HE2      LYS  24   7.486   2.750  -3.777
  191    HZ1  LYS  24           HZ1      LYS  24   5.337   3.339  -2.039
  192    HZ2  LYS  24           HZ2      LYS  24   6.824   3.595  -1.255
  193    HZ3  LYS  24           HZ3      LYS  24   6.462   2.081  -1.949
  194    H    SER  25           H        SER  25  11.178   1.095  -2.303
  195    HA   SER  25           HA       SER  25  13.139   0.312  -4.305
  196    HB2  SER  25           HB3      SER  25  12.868  -1.209  -1.643
  197    HB3  SER  25           HB2      SER  25  14.209  -1.392  -2.788
  198    HG   SER  25           HG       SER  25  13.430   0.969  -1.417
  199    H    ALA  26           H        ALA  26  10.844  -1.518  -2.808
  200    HA   ALA  26           HA       ALA  26  10.917  -3.713  -4.591
  201    HB1  ALA  26           HB1      ALA  26   9.078  -2.851  -2.461
  202    HB2  ALA  26           HB2      ALA  26   9.693  -4.462  -2.821
  203    HB3  ALA  26           HB3      ALA  26   8.337  -3.799  -3.746
  204    H    CYS  27           H        CYS  27   8.726  -0.883  -4.445
  205    HA   CYS  27           HA       CYS  27   7.341  -1.461  -6.810
  206    HB2  CYS  27           HB3      CYS  27   7.675   1.175  -5.456
  207    HB3  CYS  27           HB2      CYS  27   6.510   0.671  -6.684
  208    HG   CYS  27           HG       CYS  27   4.769  -0.312  -5.124
  209    H    LYS  28           H        LYS  28  10.536  -0.482  -6.685
  210    HA   LYS  28           HA       LYS  28  10.662   1.853  -7.954
  211    HB2  LYS  28           HB3      LYS  28  12.936   1.291  -8.690
  212    HB3  LYS  28           HB2      LYS  28  12.586   0.611  -7.094
  213    HG2  LYS  28           HG3      LYS  28  12.320  -1.560  -7.965
  214    HG3  LYS  28           HG2      LYS  28  12.398  -0.952  -9.619
  215    HD2  LYS  28           HD3      LYS  28  14.718  -0.270  -9.268
  216    HD3  LYS  28           HD2      LYS  28  14.664  -0.896  -7.617
  217    HE2  LYS  28           HE3      LYS  28  14.225  -3.131  -8.444
  218    HE3  LYS  28           HE2      LYS  28  14.156  -2.522 -10.090
  219    HZ1  LYS  28           HZ1      LYS  28  16.271  -2.912 -10.240
  220    HZ2  LYS  28           HZ2      LYS  28  16.428  -3.356  -8.623
  221    HZ3  LYS  28           HZ3      LYS  28  16.614  -1.735  -9.077
  222    H    GLU  29           H        GLU  29  10.132  -1.188  -9.570
  223    HA   GLU  29           HA       GLU  29  10.319  -0.088 -12.168
  224    HB2  GLU  29           HB3      GLU  29   9.177  -2.721 -11.255
  225    HB3  GLU  29           HB2      GLU  29   9.538  -2.279 -12.928
  226    HG2  GLU  29           HG3      GLU  29  11.898  -1.930 -12.360
  227    HG3  GLU  29           HG2      GLU  29  11.570  -2.435 -10.708
  228    H    ASP  30           H        ASP  30   7.594  -0.696  -9.991
  229    HA   ASP  30           HA       ASP  30   5.793   0.190 -12.053
  230    HB2  ASP  30           HB3      ASP  30   5.215  -1.030  -9.457
  231    HB3  ASP  30           HB2      ASP  30   3.960  -0.039 -10.172
  232    H    ILE  31           H        ILE  31   6.782   1.600  -8.987
  233    HA   ILE  31           HA       ILE  31   4.981   3.732  -9.759
  234    HB   ILE  31           HB       ILE  31   4.904   2.787  -7.390
  235   HG12  ILE  31          HG13      ILE  31   3.974   5.034  -7.814
  236   HG13  ILE  31          HG12      ILE  31   4.594   4.849  -6.185
  237   HG21  ILE  31          HG21      ILE  31   6.431   3.405  -5.789
  238   HG22  ILE  31          HG22      ILE  31   7.411   4.310  -6.962
  239   HG23  ILE  31          HG23      ILE  31   7.287   2.526  -7.064
  240   HD11  ILE  31          HD11      ILE  31   5.972   6.498  -6.401
  241   HD12  ILE  31          HD12      ILE  31   5.128   6.954  -7.901
  242   HD13  ILE  31          HD13      ILE  31   6.559   5.887  -7.978
  243    HA   PRO  32           HA       PRO  32   8.241   5.532 -11.708
  244    HB2  PRO  32           HB2      PRO  32   6.898   8.141 -11.182
  245    HB3  PRO  32           HB3      PRO  32   7.505   7.479 -12.703
  246    HG2  PRO  32           HG3      PRO  32   4.918   7.422 -12.108
  247    HG3  PRO  32           HG2      PRO  32   5.701   6.048 -12.946
  248    HD2  PRO  32           HD3      PRO  32   4.879   6.375 -10.106
  249    HD3  PRO  32           HD2      PRO  32   4.774   4.923 -11.150
  250    H    SER  33           H        SER  33   9.979   6.332 -11.351
  251    HA   SER  33           HA       SER  33  11.297   6.769  -8.838
  252    HB2  SER  33           HB3      SER  33  12.571   6.261 -10.934
  253    HB3  SER  33           HB2      SER  33  12.248   7.904 -11.499
  254    HG   SER  33           HG       SER  33  13.345   8.277  -9.207
  255    H    GLU  34           H        GLU  34  10.423   9.077 -11.209
  256    HA   GLU  34           HA       GLU  34  10.724  11.584 -10.237
  257    HB2  GLU  34           HB3      GLU  34   9.776  10.989 -12.416
  258    HB3  GLU  34           HB2      GLU  34   8.296  10.489 -11.641
  259    HG2  GLU  34           HG3      GLU  34   7.888  12.803 -10.960
  260    HG3  GLU  34           HG2      GLU  34   9.352  13.307 -11.824
  261    H    LYS  35           H        LYS  35   8.054   9.711  -9.843
  262    HA   LYS  35           HA       LYS  35   6.718  11.286  -7.908
  263    HB2  LYS  35           HB3      LYS  35   6.021   8.552  -8.951
  264    HB3  LYS  35           HB2      LYS  35   4.977   9.448  -7.837
  265    HG2  LYS  35           HG3      LYS  35   5.900  10.487 -10.489
  266    HG3  LYS  35           HG2      LYS  35   4.319   9.721 -10.199
  267    HD2  LYS  35           HD3      LYS  35   3.886  11.306  -8.481
  268    HD3  LYS  35           HD2      LYS  35   5.419  12.128  -8.786
  269    HE2  LYS  35           HE3      LYS  35   3.081  11.936 -10.736
  270    HE3  LYS  35           HE2      LYS  35   3.556  13.365  -9.848
  271    HZ1  LYS  35           HZ1      LYS  35   4.850  13.866 -11.593
  272    HZ2  LYS  35           HZ2      LYS  35   4.552  12.368 -12.312
  273    HZ3  LYS  35           HZ3      LYS  35   5.810  12.533 -11.216
  274    H    SER  36           H        SER  36   8.262   8.207  -7.506
  275    HA   SER  36           HA       SER  36   7.949   7.732  -4.839
  276    HB2  SER  36           HB3      SER  36   9.114   6.213  -6.300
  277    HB3  SER  36           HB2      SER  36  10.480   7.300  -6.463
  278    HG   SER  36           HG       SER  36  10.785   6.975  -4.135
  279    H    GLU  37           H        GLU  37   9.685  10.123  -6.148
  280    HA   GLU  37           HA       GLU  37  11.504  11.107  -4.097
  281    HB2  GLU  37           HB3      GLU  37  10.035  12.688  -6.191
  282    HB3  GLU  37           HB2      GLU  37  11.262  13.365  -5.117
  283    HG2  GLU  37           HG3      GLU  37  11.716  11.052  -6.930
  284    HG3  GLU  37           HG2      GLU  37  12.037  12.731  -7.397
  285    H    GLU  38           H        GLU  38   8.397  11.846  -4.811
  286    HA   GLU  38           HA       GLU  38   7.951  13.693  -2.592
  287    HB2  GLU  38           HB3      GLU  38   5.683  14.213  -3.343
  288    HB3  GLU  38           HB2      GLU  38   6.881  14.381  -4.613
  289    HG2  GLU  38           HG3      GLU  38   6.202  12.221  -5.524
  290    HG3  GLU  38           HG2      GLU  38   4.964  12.086  -4.287
  291    H    ILE  39           H        ILE  39   7.684  10.500  -2.666
  292    HA   ILE  39           HA       ILE  39   5.419  10.186  -0.968
  293    HB   ILE  39           HB       ILE  39   7.396   8.156  -2.027
  294   HG12  ILE  39          HG13      ILE  39   4.572   8.850  -2.806
  295   HG13  ILE  39          HG12      ILE  39   6.031   9.284  -3.706
  296   HG21  ILE  39          HG21      ILE  39   4.908   7.038  -1.430
  297   HG22  ILE  39          HG22      ILE  39   5.492   7.825   0.061
  298   HG23  ILE  39          HG23      ILE  39   6.463   6.575  -0.737
  299   HD11  ILE  39          HD11      ILE  39   5.357   6.470  -3.069
  300   HD12  ILE  39          HD12      ILE  39   6.354   7.103  -4.379
  301   HD13  ILE  39          HD13      ILE  39   4.600   7.328  -4.423
  302    H    THR  40           H        THR  40   6.779  11.733   0.458
  303    HA   THR  40           HA       THR  40   8.316  10.274   2.466
  304    HB   THR  40           HB       THR  40   9.375  12.233   1.906
  305    HG1  THR  40           HG1      THR  40   8.217  12.359   4.382
  306   HG21  THR  40          HG21      THR  40   6.756  13.681   2.201
  307   HG22  THR  40          HG22      THR  40   7.579  13.290   0.698
  308   HG23  THR  40          HG23      THR  40   8.309  14.474   1.808
  309    H    THR  41           H        THR  41   5.464   9.786   2.270
  310    HA   THR  41           HA       THR  41   5.056   9.445   4.922
  311    HB   THR  41           HB       THR  41   4.235  11.531   5.161
  312    HG1  THR  41           HG1      THR  41   2.233  11.166   6.036
  313   HG21  THR  41          HG21      THR  41   2.988  11.256   2.560
  314   HG22  THR  41          HG22      THR  41   3.531  12.702   3.397
  315   HG23  THR  41          HG23      THR  41   1.936  12.040   3.750
  316    H    GLY  42           H        GLY  42   3.399   8.017   5.386
  317    HA2  GLY  42           HA3      GLY  42   3.315   6.034   3.355
  318    HA3  GLY  42           HA2      GLY  42   2.298   5.957   4.801
  319    H    SER  43           H        SER  43   0.592   8.156   4.542
  320    HA   SER  43           HA       SER  43  -1.237   7.550   2.754
  321    HB2  SER  43           HB3      SER  43  -0.453  10.230   3.914
  322    HB3  SER  43           HB2      SER  43  -2.047   9.807   3.294
  323    HG   SER  43           HG       SER  43  -1.907   9.621   5.566
  324    H    ALA  44           H        ALA  44   1.502   9.573   2.395
  325    HA   ALA  44           HA       ALA  44   0.914  10.990   0.031
  326    HB1  ALA  44           HB1      ALA  44   3.338  11.144  -0.538
  327    HB2  ALA  44           HB2      ALA  44   3.687   9.975   0.727
  328    HB3  ALA  44           HB3      ALA  44   3.012  11.538   1.150
  329    H    TRP  45           H        TRP  45   2.507   7.858   0.264
  330    HA   TRP  45           HA       TRP  45   2.602   7.319  -2.507
  331    HB2  TRP  45           HB3      TRP  45   3.772   6.003  -0.565
  332    HB3  TRP  45           HB2      TRP  45   2.199   5.357  -0.274
  333    HD1  TRP  45           HD1      TRP  45   3.772   5.629  -3.823
  334    HE1  TRP  45           HE1      TRP  45   3.837   3.192  -4.755
  335    HE3  TRP  45           HE3      TRP  45   2.279   3.021   0.301
  336    HZ2  TRP  45           HZ2      TRP  45   3.482   0.714  -3.952
  337    HZ3  TRP  45           HZ3      TRP  45   2.201   0.573   0.134
  338    HH2  TRP  45           HH2      TRP  45   2.818  -0.555  -1.990
  339    H    PHE  46           H        PHE  46   0.274   6.273  -0.151
  340    HA   PHE  46           HA       PHE  46  -1.349   5.075  -2.032
  341    HB2  PHE  46           HB3      PHE  46  -2.338   6.458   0.453
  342    HB3  PHE  46           HB2      PHE  46  -3.284   5.396  -0.591
  343    HD1  PHE  46           HD1      PHE  46  -2.155   3.121  -1.120
  344    HD2  PHE  46           HD2      PHE  46  -1.352   5.507   2.342
  345    HE1  PHE  46           HE1      PHE  46  -1.497   1.129   0.107
  346    HE2  PHE  46           HE2      PHE  46  -0.728   3.517   3.559
  347    HZ   PHE  46           HZ       PHE  46  -0.794   1.291   2.388
  348    H    SER  47           H        SER  47  -1.662   8.169  -0.792
  349    HA   SER  47           HA       SER  47  -3.743   9.228  -2.499
  350    HB2  SER  47           HB3      SER  47  -1.593  10.895  -1.159
  351    HB3  SER  47           HB2      SER  47  -3.107  11.518  -1.804
  352    HG   SER  47           HG       SER  47  -3.956   9.711  -0.275
  353    H    PHE  48           H        PHE  48  -0.370   9.056  -3.228
  354    HA   PHE  48           HA       PHE  48  -0.574  10.513  -5.708
  355    HB2  PHE  48           HB3      PHE  48   1.651  10.186  -4.888
  356    HB3  PHE  48           HB2      PHE  48   1.355   8.448  -4.633
  357    HD1  PHE  48           HD1      PHE  48   1.102  10.884  -7.514
  358    HD2  PHE  48           HD2      PHE  48   2.296   7.057  -6.090
  359    HE1  PHE  48           HE1      PHE  48   1.754  10.254  -9.744
  360    HE2  PHE  48           HE2      PHE  48   2.991   6.431  -8.336
  361    HZ   PHE  48           HZ       PHE  48   2.717   8.013 -10.189
  362    H    LEU  49           H        LEU  49  -0.348   7.046  -4.742
  363    HA   LEU  49           HA       LEU  49  -0.605   5.868  -7.086
  364    HB2  LEU  49           HB3      LEU  49  -0.187   5.265  -4.618
  365    HB3  LEU  49           HB2      LEU  49  -1.910   4.879  -4.640
  366    HG   LEU  49           HG       LEU  49  -1.424   3.126  -6.431
  367   HD11  LEU  49          HD11      LEU  49   0.799   4.724  -6.728
  368   HD12  LEU  49          HD12      LEU  49   0.529   3.169  -7.499
  369   HD13  LEU  49          HD13      LEU  49   1.440   3.264  -5.989
  370   HD21  LEU  49          HD21      LEU  49   0.511   2.743  -4.164
  371   HD22  LEU  49          HD22      LEU  49  -0.528   1.556  -4.948
  372   HD23  LEU  49          HD23      LEU  49  -1.222   2.753  -3.859
  373    H    GLU  50           H        GLU  50  -3.067   6.342  -4.727
  374    HA   GLU  50           HA       GLU  50  -5.501   5.700  -5.936
  375    HB2  GLU  50           HB3      GLU  50  -5.297   8.215  -4.241
  376    HB3  GLU  50           HB2      GLU  50  -6.803   7.424  -4.690
  377    HG2  GLU  50           HG3      GLU  50  -6.130   5.489  -3.320
  378    HG3  GLU  50           HG2      GLU  50  -4.639   6.321  -2.913
  379    H    SER  51           H        SER  51  -4.070   8.436  -6.070
  380    HA   SER  51           HA       SER  51  -5.691  10.021  -7.867
  381    HB2  SER  51           HB3      SER  51  -2.693  10.436  -7.750
  382    HB3  SER  51           HB2      SER  51  -3.808  11.528  -8.568
  383    HG   SER  51           HG       SER  51  -3.626  10.937  -5.815
  384    H    HIS  52           H        HIS  52  -3.329   7.592  -8.633
  385    HA   HIS  52           HA       HIS  52  -4.126   7.648 -11.487
  386    HB2  HIS  52           HB3      HIS  52  -1.660   6.441 -10.237
  387    HB3  HIS  52           HB2      HIS  52  -2.055   6.204 -11.968
  388    HD1  HIS  52           HD1      HIS  52   0.113   7.396 -12.788
  389    HD2  HIS  52           HD2      HIS  52  -2.029   9.363  -9.906
  390    HE1  HIS  52           HE1      HIS  52   1.320   9.586 -12.526
  391    H    ASN  53           H        ASN  53  -4.421   5.422 -12.498
  392    HA   ASN  53           HA       ASN  53  -5.852   3.956 -10.509
  393    HB2  ASN  53           HB3      ASN  53  -7.035   4.387 -12.660
  394    HB3  ASN  53           HB2      ASN  53  -5.865   3.350 -13.478
  395   HD21  ASN  53          HD22      ASN  53  -8.812   3.501 -11.894
  396   HD22  ASN  53          HD21      ASN  53  -9.125   1.817 -11.638
  397    H    LYS  54           H        LYS  54  -3.684   3.677  -9.581
  398    HA   LYS  54           HA       LYS  54  -2.496   1.080 -10.290
  399    HB2  LYS  54           HB3      LYS  54  -1.588   3.023  -8.163
  400    HB3  LYS  54           HB2      LYS  54  -0.838   1.515  -8.617
  401    HG2  LYS  54           HG3      LYS  54  -1.008   3.979 -10.379
  402    HG3  LYS  54           HG2      LYS  54   0.411   3.369  -9.500
  403    HD2  LYS  54           HD3      LYS  54  -1.098   1.824 -11.527
  404    HD3  LYS  54           HD2      LYS  54   0.352   2.753 -11.938
  405    HE2  LYS  54           HE3      LYS  54   1.637   1.374 -10.283
  406    HE3  LYS  54           HE2      LYS  54   0.173   0.466  -9.952
  407    HZ1  LYS  54           HZ1      LYS  54   0.939   0.513 -12.759
  408    HZ2  LYS  54           HZ2      LYS  54   0.397  -0.778 -11.803
  409    HZ3  LYS  54           HZ3      LYS  54   2.007  -0.343 -11.744
  410    H    LEU  55           H        LEU  55  -4.612   2.730  -8.208
  411    HA   LEU  55           HA       LEU  55  -5.269   0.332  -6.766
  412    HB2  LEU  55           HB3      LEU  55  -3.260   0.954  -5.579
  413    HB3  LEU  55           HB2      LEU  55  -3.768   2.592  -5.421
  414    HG   LEU  55           HG       LEU  55  -5.174   0.299  -4.010
  415   HD11  LEU  55          HD11      LEU  55  -2.921   0.312  -3.205
  416   HD12  LEU  55          HD12      LEU  55  -3.850   1.197  -2.000
  417   HD13  LEU  55          HD13      LEU  55  -2.847   2.073  -3.152
  418   HD21  LEU  55          HD21      LEU  55  -5.280   2.576  -2.384
  419   HD22  LEU  55          HD22      LEU  55  -6.603   1.964  -3.380
  420   HD23  LEU  55          HD23      LEU  55  -5.523   3.192  -4.022
  421    H    ASP  56           H        ASP  56  -7.168   0.423  -7.021
  422    HA   ASP  56           HA       ASP  56  -8.937   2.652  -6.558
  423    HB2  ASP  56           HB3      ASP  56  -9.550  -0.240  -7.080
  424    HB3  ASP  56           HB2      ASP  56 -10.775   0.954  -6.714
  425    H    LYS  57           H        LYS  57 -10.778   2.084  -5.291
  426    HA   LYS  57           HA       LYS  57 -10.161   1.672  -2.594
  427    HB2  LYS  57           HB3      LYS  57 -12.779   1.473  -2.438
  428    HB3  LYS  57           HB2      LYS  57 -11.979   3.016  -2.678
  429    HG2  LYS  57           HG3      LYS  57 -13.971   2.652  -4.097
  430    HG3  LYS  57           HG2      LYS  57 -12.429   2.964  -4.975
  431    HD2  LYS  57           HD3      LYS  57 -12.206   0.754  -5.474
  432    HD3  LYS  57           HD2      LYS  57 -13.592   0.283  -4.502
  433    HE2  LYS  57           HE3      LYS  57 -13.721   2.007  -6.986
  434    HE3  LYS  57           HE2      LYS  57 -14.154   0.296  -6.925
  435    HZ1  LYS  57           HZ1      LYS  57 -15.493   1.931  -4.976
  436    HZ2  LYS  57           HZ2      LYS  57 -16.055   0.708  -5.983
  437    HZ3  LYS  57           HZ3      LYS  57 -15.891   2.269  -6.601
  438    H    ASP  58           H        ASP  58 -11.026  -0.508  -5.172
  439    HA   ASP  58           HA       ASP  58 -11.554  -2.528  -3.262
  440    HB2  ASP  58           HB3      ASP  58 -12.190  -2.468  -6.190
  441    HB3  ASP  58           HB2      ASP  58 -12.168  -4.015  -5.355
  442    H    ASN  59           H        ASN  59  -9.525  -1.709  -5.898
  443    HA   ASN  59           HA       ASN  59  -8.053  -4.168  -5.889
  444    HB2  ASN  59           HB3      ASN  59  -7.726  -1.641  -7.464
  445    HB3  ASN  59           HB2      ASN  59  -6.840  -3.136  -7.767
  446   HD21  ASN  59          HD22      ASN  59  -9.529  -1.409  -8.443
  447   HD22  ASN  59          HD21      ASN  59 -10.488  -2.633  -9.187
  448    H    LEU  60           H        LEU  60  -6.440  -4.535  -4.875
  449    HA   LEU  60           HA       LEU  60  -4.568  -2.444  -3.966
  450    HB2  LEU  60           HB3      LEU  60  -4.371  -3.328  -1.723
  451    HB3  LEU  60           HB2      LEU  60  -6.010  -2.872  -2.065
  452    HG   LEU  60           HG       LEU  60  -4.877  -5.636  -1.793
  453   HD11  LEU  60          HD11      LEU  60  -6.250  -3.775  -0.049
  454   HD12  LEU  60          HD12      LEU  60  -5.221  -5.155   0.339
  455   HD13  LEU  60          HD13      LEU  60  -6.939  -5.405  -0.018
  456   HD21  LEU  60          HD21      LEU  60  -7.692  -5.706  -1.766
  457   HD22  LEU  60          HD22      LEU  60  -6.583  -6.490  -2.906
  458   HD23  LEU  60          HD23      LEU  60  -7.175  -4.859  -3.234
  459    H    SER  61           H        SER  61  -4.905  -5.378  -5.226
  460    HA   SER  61           HA       SER  61  -2.958  -7.080  -4.573
  461    HB2  SER  61           HB3      SER  61  -3.638  -6.521  -7.472
  462    HB3  SER  61           HB2      SER  61  -3.024  -8.040  -6.807
  463    HG   SER  61           HG       SER  61  -4.923  -8.508  -6.079
  464    H    TYR  62           H        TYR  62  -2.420  -4.391  -6.453
  465    HA   TYR  62           HA       TYR  62   0.342  -4.761  -7.152
  466    HB2  TYR  62           HB3      TYR  62  -0.661  -2.984  -8.342
  467    HB3  TYR  62           HB2      TYR  62  -1.312  -2.272  -6.876
  468    HD1  TYR  62           HD2      TYR  62   2.212  -3.306  -7.474
  469    HD2  TYR  62           HD1      TYR  62  -0.520  -0.105  -6.946
  470    HE1  TYR  62           HE2      TYR  62   4.114  -1.742  -7.222
  471    HE2  TYR  62           HE1      TYR  62   1.363   1.473  -6.768
  472    HH   TYR  62           HH       TYR  62   4.403   0.824  -7.668
  473    H    ILE  63           H        ILE  63  -1.118  -3.116  -4.425
  474    HA   ILE  63           HA       ILE  63   1.420  -2.492  -3.226
  475    HB   ILE  63           HB       ILE  63   0.274  -1.283  -1.606
  476   HG12  ILE  63          HG13      ILE  63  -2.307  -2.612  -2.377
  477   HG13  ILE  63          HG12      ILE  63  -1.335  -3.166  -1.002
  478   HG21  ILE  63          HG21      ILE  63   0.105  -0.541  -3.917
  479   HG22  ILE  63          HG22      ILE  63  -1.076   0.087  -2.732
  480   HG23  ILE  63          HG23      ILE  63  -1.528  -1.223  -3.875
  481   HD11  ILE  63          HD11      ILE  63  -3.047  -1.712  -0.182
  482   HD12  ILE  63          HD12      ILE  63  -2.534  -0.457  -1.351
  483   HD13  ILE  63          HD13      ILE  63  -1.422  -0.970  -0.087
  484    H    GLU  64           H        GLU  64  -0.889  -4.954  -3.135
  485    HA   GLU  64           HA       GLU  64  -0.458  -6.160  -0.526
  486    HB2  GLU  64           HB3      GLU  64  -2.352  -6.708  -2.153
  487    HB3  GLU  64           HB2      GLU  64  -1.151  -7.455  -3.186
  488    HG2  GLU  64           HG3      GLU  64  -0.698  -9.073  -1.294
  489    HG3  GLU  64           HG2      GLU  64  -2.098  -8.334  -0.493
  490    H    HIS  65           H        HIS  65   0.732  -7.033  -3.714
  491    HA   HIS  65           HA       HIS  65   2.899  -8.721  -3.016
  492    HB2  HIS  65           HB3      HIS  65   1.914  -8.260  -5.275
  493    HB3  HIS  65           HB2      HIS  65   2.550  -6.633  -5.102
  494    HD1  HIS  65           HD1      HIS  65   4.221 -10.116  -4.901
  495    HD2  HIS  65           HD2      HIS  65   4.667  -6.281  -6.461
  496    HE1  HIS  65           HE1      HIS  65   6.194 -10.272  -6.408
  497    H    ILE  66           H        ILE  66   3.073  -5.338  -3.587
  498    HA   ILE  66           HA       ILE  66   5.602  -5.009  -3.028
  499    HB   ILE  66           HB       ILE  66   3.481  -3.183  -2.020
  500   HG12  ILE  66          HG13      ILE  66   3.363  -3.790  -4.225
  501   HG13  ILE  66          HG12      ILE  66   3.690  -2.026  -4.220
  502   HG21  ILE  66          HG21      ILE  66   6.450  -2.799  -1.999
  503   HG22  ILE  66          HG22      ILE  66   5.221  -2.213  -0.908
  504   HG23  ILE  66          HG23      ILE  66   5.475  -1.391  -2.440
  505   HD11  ILE  66          HD11      ILE  66   5.035  -2.667  -5.841
  506   HD12  ILE  66          HD12      ILE  66   5.060  -4.346  -5.310
  507   HD13  ILE  66          HD13      ILE  66   6.148  -3.152  -4.538
  508    H    PHE  67           H        PHE  67   3.031  -5.150  -0.413
  509    HA   PHE  67           HA       PHE  67   4.886  -4.779   1.454
  510    HB2  PHE  67           HB3      PHE  67   2.152  -6.023   1.576
  511    HB3  PHE  67           HB2      PHE  67   3.118  -5.570   2.991
  512    HD1  PHE  67           HD1      PHE  67   4.130  -3.060   2.671
  513    HD2  PHE  67           HD2      PHE  67   0.575  -4.605   1.032
  514    HE1  PHE  67           HE1      PHE  67   3.277  -0.755   2.431
  515    HE2  PHE  67           HE2      PHE  67  -0.319  -2.301   0.788
  516    HZ   PHE  67           HZ       PHE  67   1.049  -0.387   1.500
  517    H    GLU  68           H        GLU  68   4.034  -7.703  -0.406
  518    HA   GLU  68           HA       GLU  68   4.914  -9.734   1.384
  519    HB2  GLU  68           HB3      GLU  68   3.402 -10.114  -0.484
  520    HB3  GLU  68           HB2      GLU  68   4.566  -9.398  -1.599
  521    HG2  GLU  68           HG3      GLU  68   6.069 -11.328  -1.150
  522    HG3  GLU  68           HG2      GLU  68   4.787 -12.044  -0.162
  523    H    ILE  69           H        ILE  69   6.210  -8.333  -1.507
  524    HA   ILE  69           HA       ILE  69   8.656  -9.510  -1.302
  525    HB   ILE  69           HB       ILE  69   9.421  -8.078  -3.101
  526   HG12  ILE  69          HG13      ILE  69   6.722  -6.780  -2.770
  527   HG13  ILE  69          HG12      ILE  69   8.279  -6.001  -2.514
  528   HG21  ILE  69          HG21      ILE  69   6.666  -8.870  -3.788
  529   HG22  ILE  69          HG22      ILE  69   7.734 -10.113  -3.113
  530   HG23  ILE  69          HG23      ILE  69   8.177  -9.282  -4.609
  531   HD11  ILE  69          HD11      ILE  69   7.561  -7.282  -5.049
  532   HD12  ILE  69          HD12      ILE  69   8.814  -6.085  -4.753
  533   HD13  ILE  69          HD13      ILE  69   7.090  -5.596  -4.712
  534    H    SER  70           H        SER  70   7.660  -6.476  -0.080
  535    HA   SER  70           HA       SER  70  10.325  -5.620   0.608
  536    HB2  SER  70           HB3      SER  70   8.585  -4.004  -0.037
  537    HB3  SER  70           HB2      SER  70   7.594  -4.538   1.320
  538    HG   SER  70           HG       SER  70   8.647  -3.196   2.499
  539    H    ARG  71           H        ARG  71  11.152  -5.735   2.608
  540    HA   ARG  71           HA       ARG  71  10.101  -7.805   4.192
  541    HB2  ARG  71           HB3      ARG  71  12.677  -6.349   4.432
  542    HB3  ARG  71           HB2      ARG  71  12.127  -7.397   5.722
  543    HG2  ARG  71           HG3      ARG  71  12.541  -8.227   2.862
  544    HG3  ARG  71           HG2      ARG  71  13.613  -8.611   4.212
  545    HD2  ARG  71           HD3      ARG  71  11.600  -9.695   5.340
  546    HD3  ARG  71           HD2      ARG  71  10.748  -9.504   3.824
  547    HE   ARG  71           HE       ARG  71  11.726 -11.386   3.123
  548   HH11  ARG  71          HH11      ARG  71  14.028 -10.005   5.540
  549   HH12  ARG  71          HH12      ARG  71  15.092 -11.316   5.416
  550   HH21  ARG  71          HH22      ARG  71  13.304 -13.169   3.035
  551   HH22  ARG  71          HH21      ARG  71  14.729 -13.073   3.955
  552    H    ARG  72           H        ARG  72   8.213  -6.455   4.469
  553    HA   ARG  72           HA       ARG  72   8.187  -5.799   7.311
  554    HB2  ARG  72           HB3      ARG  72   8.534  -3.615   5.938
  555    HB3  ARG  72           HB2      ARG  72   6.897  -3.879   5.353
  556    HG2  ARG  72           HG3      ARG  72   6.742  -2.368   7.143
  557    HG3  ARG  72           HG2      ARG  72   6.189  -3.956   7.743
  558    HD2  ARG  72           HD3      ARG  72   8.405  -4.329   8.732
  559    HD3  ARG  72           HD2      ARG  72   8.923  -2.753   8.144
  560    HE   ARG  72           HE       ARG  72   7.768  -1.745   9.703
  561   HH11  ARG  72          HH11      ARG  72   7.454  -5.196  10.246
  562   HH12  ARG  72          HH12      ARG  72   6.161  -5.121  11.353
  563   HH21  ARG  72          HH22      ARG  72   5.943  -1.567  11.286
  564   HH22  ARG  72          HH21      ARG  72   5.293  -2.993  11.994
  565    HA   PRO  73           HA       PRO  73   4.706  -8.451   5.196
  566    HB2  PRO  73           HB2      PRO  73   4.818 -10.418   7.102
  567    HB3  PRO  73           HB3      PRO  73   5.702 -10.417   5.559
  568    HG2  PRO  73           HG3      PRO  73   6.573  -9.587   8.265
  569    HG3  PRO  73           HG2      PRO  73   7.423 -10.614   7.069
  570    HD2  PRO  73           HD3      PRO  73   8.147  -8.100   7.343
  571    HD3  PRO  73           HD2      PRO  73   7.978  -8.786   5.729
  572    H    ASP  74           H        ASP  74   4.986  -6.840   8.037
  573    HA   ASP  74           HA       ASP  74   2.541  -7.722   9.410
  574    HB2  ASP  74           HB3      ASP  74   3.974  -5.080   9.749
  575    HB3  ASP  74           HB2      ASP  74   2.658  -5.623  10.762
  576    H    LEU  75           H        LEU  75   3.454  -5.219   7.446
  577    HA   LEU  75           HA       LEU  75   0.923  -3.937   7.238
  578    HB2  LEU  75           HB3      LEU  75   3.319  -3.727   5.416
  579    HB3  LEU  75           HB2      LEU  75   1.847  -2.819   5.150
  580    HG   LEU  75           HG       LEU  75   2.224  -1.547   7.300
  581   HD11  LEU  75          HD11      LEU  75   3.646  -2.020   8.862
  582   HD12  LEU  75          HD12      LEU  75   4.919  -2.452   7.742
  583   HD13  LEU  75          HD13      LEU  75   3.681  -3.640   8.184
  584   HD21  LEU  75          HD21      LEU  75   3.216  -0.873   5.145
  585   HD22  LEU  75          HD22      LEU  75   4.703  -1.646   5.643
  586   HD23  LEU  75          HD23      LEU  75   4.063  -0.283   6.577
  587    H    LEU  76           H        LEU  76   2.547  -6.040   5.199
  588    HA   LEU  76           HA       LEU  76   0.650  -6.770   3.156
  589    HB2  LEU  76           HB3      LEU  76   2.830  -8.060   3.419
  590    HB3  LEU  76           HB2      LEU  76   1.983  -8.923   4.724
  591    HG   LEU  76           HG       LEU  76   0.243  -9.367   3.060
  592   HD11  LEU  76          HD11      LEU  76   1.132  -9.876   0.773
  593   HD12  LEU  76          HD12      LEU  76   2.166  -8.493   1.175
  594   HD13  LEU  76          HD13      LEU  76   0.414  -8.346   1.287
  595   HD21  LEU  76          HD21      LEU  76   2.628 -10.815   3.715
  596   HD22  LEU  76          HD22      LEU  76   1.932 -11.348   2.173
  597   HD23  LEU  76          HD23      LEU  76   0.929 -11.343   3.629
  598    H    THR  77           H        THR  77   1.015  -8.261   6.172
  599    HA   THR  77           HA       THR  77  -1.102  -9.935   6.451
  600    HB   THR  77           HB       THR  77   0.106  -8.175   8.507
  601    HG1  THR  77           HG1      THR  77   1.673  -9.549   7.864
  602   HG21  THR  77          HG21      THR  77  -2.050 -10.055   8.655
  603   HG22  THR  77          HG22      THR  77  -1.537  -8.767   9.755
  604   HG23  THR  77          HG23      THR  77  -0.746 -10.391   9.826
  605    H    MET  78           H        MET  78  -1.066  -6.567   7.196
  606    HA   MET  78           HA       MET  78  -3.750  -6.327   8.022
  607    HB2  MET  78           HB3      MET  78  -1.888  -4.220   6.957
  608    HB3  MET  78           HB2      MET  78  -3.471  -3.871   7.645
  609    HG2  MET  78           HG3      MET  78  -1.311  -5.353   9.079
  610    HG3  MET  78           HG2      MET  78  -1.638  -3.604   9.293
  611    HE1  MET  78           HE1      MET  78  -2.356  -3.890  12.173
  612    HE2  MET  78           HE2      MET  78  -1.291  -5.164  11.557
  613    HE3  MET  78           HE3      MET  78  -2.688  -5.603  12.526
  614    H    VAL  79           H        VAL  79  -2.255  -6.153   4.843
  615    HA   VAL  79           HA       VAL  79  -4.548  -5.258   3.408
  616    HB   VAL  79           HB       VAL  79  -2.058  -6.826   2.597
  617   HG11  VAL  79          HG11      VAL  79  -2.628  -5.511   0.374
  618   HG12  VAL  79          HG12      VAL  79  -4.276  -5.726   0.979
  619   HG13  VAL  79          HG13      VAL  79  -3.244  -7.128   0.712
  620   HG21  VAL  79          HG21      VAL  79  -1.583  -4.674   3.633
  621   HG22  VAL  79          HG22      VAL  79  -2.565  -3.875   2.399
  622   HG23  VAL  79          HG23      VAL  79  -1.101  -4.731   1.934
  623    H    VAL  80           H        VAL  80  -2.986  -8.377   3.914
  624    HA   VAL  80           HA       VAL  80  -4.877 -10.156   2.749
  625    HB   VAL  80           HB       VAL  80  -3.069 -10.611   5.187
  626   HG11  VAL  80          HG11      VAL  80  -4.964 -12.245   4.696
  627   HG12  VAL  80          HG12      VAL  80  -3.335 -12.893   4.917
  628   HG13  VAL  80          HG13      VAL  80  -4.010 -12.716   3.284
  629   HG21  VAL  80          HG21      VAL  80  -1.873 -11.861   3.017
  630   HG22  VAL  80          HG22      VAL  80  -1.360 -10.352   3.769
  631   HG23  VAL  80          HG23      VAL  80  -2.426 -10.324   2.367
  632    H    ASP  81           H        ASP  81  -4.589  -9.285   5.908
  633    HA   ASP  81           HA       ASP  81  -7.009 -10.395   6.732
  634    HB2  ASP  81           HB3      ASP  81  -5.366  -8.594   8.427
  635    HB3  ASP  81           HB2      ASP  81  -7.035  -8.920   8.922
  636    H    TYR  82           H        TYR  82  -6.557  -7.198   5.771
  637    HA   TYR  82           HA       TYR  82  -9.100  -6.042   6.189
  638    HB2  TYR  82           HB3      TYR  82  -7.453  -4.669   5.279
  639    HB3  TYR  82           HB2      TYR  82  -7.147  -5.763   3.927
  640    HD1  TYR  82           HD2      TYR  82  -9.860  -3.636   5.398
  641    HD2  TYR  82           HD1      TYR  82  -8.084  -5.341   1.966
  642    HE1  TYR  82           HE2      TYR  82 -11.404  -2.379   3.964
  643    HE2  TYR  82           HE1      TYR  82  -9.576  -4.130   0.522
  644    HH   TYR  82           HH       TYR  82 -11.094  -2.382   0.494
  645    H    ARG  83           H        ARG  83  -7.832  -7.873   3.459
  646    HA   ARG  83           HA       ARG  83 -10.004  -7.917   1.809
  647    HB2  ARG  83           HB3      ARG  83  -7.853  -8.326   1.053
  648    HB3  ARG  83           HB2      ARG  83  -7.525  -9.502   2.275
  649    HG2  ARG  83           HG3      ARG  83  -9.485 -10.016   0.136
  650    HG3  ARG  83           HG2      ARG  83  -7.742 -10.177  -0.215
  651    HD2  ARG  83           HD3      ARG  83  -7.782 -11.769   1.771
  652    HD3  ARG  83           HD2      ARG  83  -9.534 -11.780   1.673
  653    HE   ARG  83           HE       ARG  83  -7.720 -13.158  -0.014
  654   HH11  ARG  83          HH11      ARG  83 -10.956 -11.669  -0.236
  655   HH12  ARG  83          HH12      ARG  83 -11.201 -12.193  -1.851
  656   HH21  ARG  83          HH22      ARG  83  -8.105 -13.861  -2.162
  657   HH22  ARG  83          HH21      ARG  83  -9.544 -13.480  -3.004
  658    H    THR  84           H        THR  84  -9.000 -10.030   4.029
  659    HA   THR  84           HA       THR  84 -11.116 -11.953   4.021
  660    HB   THR  84           HB       THR  84  -9.339 -11.112   6.231
  661    HG1  THR  84           HG1      THR  84  -7.869 -11.946   4.890
  662   HG21  THR  84          HG21      THR  84 -11.041 -13.423   5.738
  663   HG22  THR  84          HG22      THR  84 -10.966 -12.283   7.110
  664   HG23  THR  84          HG23      THR  84  -9.641 -13.491   6.885
  665    H    ARG  85           H        ARG  85 -10.504  -9.817   6.350
  666    HA   ARG  85           HA       ARG  85 -12.722  -9.882   7.865
  667    HB2  ARG  85           HB3      ARG  85 -12.387  -7.808   9.130
  668    HB3  ARG  85           HB2      ARG  85 -10.879  -8.647   8.870
  669    HG2  ARG  85           HG3      ARG  85 -10.242  -7.061   7.175
  670    HG3  ARG  85           HG2      ARG  85 -11.785  -6.247   7.266
  671    HD2  ARG  85           HD3      ARG  85 -10.542  -4.888   8.632
  672    HD3  ARG  85           HD2      ARG  85 -11.282  -6.093   9.696
  673    HE   ARG  85           HE       ARG  85  -8.614  -5.389   9.606
  674   HH11  ARG  85          HH11      ARG  85  -9.989  -8.675   9.484
  675   HH12  ARG  85          HH12      ARG  85  -8.872  -9.301  10.608
  676   HH21  ARG  85          HH22      ARG  85  -7.148  -6.308  11.171
  677   HH22  ARG  85          HH21      ARG  85  -7.295  -7.909  11.636
  678    H    VAL  86           H        VAL  86 -12.282  -7.583   5.636
  679    HA   VAL  86           HA       VAL  86 -14.910  -6.438   5.651
  680    HB   VAL  86           HB       VAL  86 -12.893  -6.401   3.436
  681   HG11  VAL  86          HG11      VAL  86 -15.605  -5.795   3.118
  682   HG12  VAL  86          HG12      VAL  86 -14.336  -5.009   2.179
  683   HG13  VAL  86          HG13      VAL  86 -14.975  -4.235   3.633
  684   HG21  VAL  86          HG21      VAL  86 -13.209  -3.885   4.569
  685   HG22  VAL  86          HG22      VAL  86 -11.893  -5.030   4.858
  686   HG23  VAL  86          HG23      VAL  86 -13.309  -5.027   5.911
  687    H    LEU  87           H        LEU  87 -13.599  -9.115   3.977
  688    HA   LEU  87           HA       LEU  87 -15.855  -9.888   2.452
  689    HB2  LEU  87           HB3      LEU  87 -13.689 -10.708   2.017
  690    HB3  LEU  87           HB2      LEU  87 -13.435 -11.064   3.682
  691    HG   LEU  87           HG       LEU  87 -14.637 -13.003   3.583
  692   HD11  LEU  87          HD11      LEU  87 -15.165 -12.569   0.601
  693   HD12  LEU  87          HD12      LEU  87 -16.346 -12.024   1.803
  694   HD13  LEU  87          HD13      LEU  87 -15.974 -13.748   1.656
  695   HD21  LEU  87          HD21      LEU  87 -13.071 -14.227   2.532
  696   HD22  LEU  87          HD22      LEU  87 -12.312 -12.647   2.334
  697   HD23  LEU  87          HD23      LEU  87 -13.216 -13.340   1.005
  698    H    LYS  88           H        LYS  88 -14.715 -10.676   5.695
  699    HA   LYS  88           HA       LYS  88 -16.777 -12.313   6.548
  700    HB2  LYS  88           HB3      LYS  88 -14.523 -12.014   7.613
  701    HB3  LYS  88           HB2      LYS  88 -15.047 -10.467   8.234
  702    HG2  LYS  88           HG3      LYS  88 -16.124 -13.179   9.058
  703    HG3  LYS  88           HG2      LYS  88 -14.934 -12.216   9.937
  704    HD2  LYS  88           HD3      LYS  88 -16.697 -10.496  10.342
  705    HD3  LYS  88           HD2      LYS  88 -17.836 -11.532   9.474
  706    HE2  LYS  88           HE3      LYS  88 -17.449 -13.332  11.130
  707    HE3  LYS  88           HE2      LYS  88 -16.328 -12.268  11.980
  708    HZ1  LYS  88           HZ1      LYS  88 -19.087 -11.359  11.551
  709    HZ2  LYS  88           HZ2      LYS  88 -18.065 -10.994  12.833
  710    HZ3  LYS  88           HZ3      LYS  88 -18.809 -12.488  12.756
  711    H    ILE  89           H        ILE  89 -16.444  -8.783   6.785
  712    HA   ILE  89           HA       ILE  89 -18.711  -8.380   8.385
  713    HB   ILE  89           HB       ILE  89 -16.971  -6.720   6.649
  714   HG12  ILE  89          HG13      ILE  89 -17.032  -6.933   9.668
  715   HG13  ILE  89          HG12      ILE  89 -15.794  -7.534   8.551
  716   HG21  ILE  89          HG21      ILE  89 -18.801  -5.470   6.581
  717   HG22  ILE  89          HG22      ILE  89 -17.929  -4.753   7.960
  718   HG23  ILE  89          HG23      ILE  89 -19.291  -5.870   8.244
  719   HD11  ILE  89          HD11      ILE  89 -14.707  -5.664   8.698
  720   HD12  ILE  89          HD12      ILE  89 -15.889  -5.056   9.850
  721   HD13  ILE  89          HD13      ILE  89 -16.110  -4.747   8.132
  722    H    SER  90           H        SER  90 -17.953  -7.818   4.958
  723    HA   SER  90           HA       SER  90 -20.752  -7.380   4.371
  724    HB2  SER  90           HB3      SER  90 -18.325  -7.065   2.610
  725    HB3  SER  90           HB2      SER  90 -19.980  -6.672   2.136
  726    HG   SER  90           HG       SER  90 -19.674  -5.532   4.411
  Start of MODEL   14
    1    H1   MET   1           H        MET   1 -15.847   1.279   1.266
    2    H2   MET   1           H2       MET   1 -14.938   0.619   0.004
    3    H3   MET   1           H3       MET   1 -14.522   0.300   1.608
    4    HA   MET   1           HA       MET   1 -13.126   1.924   0.386
    5    HB2  MET   1           HB3      MET   1 -14.922   3.158  -0.715
    6    HB3  MET   1           HB2      MET   1 -15.594   3.602   0.845
    7    HG2  MET   1           HG3      MET   1 -13.594   4.941   1.341
    8    HG3  MET   1           HG2      MET   1 -12.908   4.494  -0.211
    9    HE1  MET   1           HE1      MET   1 -12.439   7.020  -0.569
   10    HE2  MET   1           HE2      MET   1 -13.308   7.607   0.850
   11    HE3  MET   1           HE3      MET   1 -13.685   8.253  -0.750
   12    H    ALA   2           H        ALA   2 -15.291   2.641   3.085
   13    HA   ALA   2           HA       ALA   2 -13.286   4.073   4.465
   14    HB1  ALA   2           HB1      ALA   2 -14.860   2.896   6.538
   15    HB2  ALA   2           HB2      ALA   2 -15.923   3.200   5.162
   16    HB3  ALA   2           HB3      ALA   2 -15.008   4.529   5.880
   17    H    GLU   3           H        GLU   3 -14.153   0.889   5.347
   18    HA   GLU   3           HA       GLU   3 -12.129   0.342   6.944
   19    HB2  GLU   3           HB3      GLU   3 -13.226  -1.582   4.916
   20    HB3  GLU   3           HB2      GLU   3 -12.091  -2.078   6.171
   21    HG2  GLU   3           HG3      GLU   3 -14.736  -0.771   6.622
   22    HG3  GLU   3           HG2      GLU   3 -14.432  -2.518   6.771
   23    H    TYR   4           H        TYR   4 -12.006   0.204   3.830
   24    HA   TYR   4           HA       TYR   4  -9.295  -0.587   3.305
   25    HB2  TYR   4           HB3      TYR   4 -10.790  -0.476   1.393
   26    HB3  TYR   4           HB2      TYR   4 -10.643   1.316   1.350
   27    HD1  TYR   4           HD1      TYR   4  -8.372  -1.596   1.684
   28    HD2  TYR   4           HD2      TYR   4  -9.354   1.883  -0.561
   29    HE1  TYR   4           HE1      TYR   4  -6.518  -2.050   0.198
   30    HE2  TYR   4           HE2      TYR   4  -7.469   1.448  -2.029
   31    HH   TYR   4           HH       TYR   4  -6.145  -0.566  -2.730
   32    H    GLY   5           H        GLY   5 -10.824   2.462   3.522
   33    HA2  GLY   5           HA3      GLY   5  -8.702   4.345   3.400
   34    HA3  GLY   5           HA2      GLY   5 -10.156   4.619   4.367
   35    H    THR   6           H        THR   6  -9.979   2.666   6.411
   36    HA   THR   6           HA       THR   6  -7.980   3.658   8.042
   37    HB   THR   6           HB       THR   6  -9.582   1.116   8.168
   38    HG1  THR   6           HG1      THR   6 -11.164   2.329   9.192
   39   HG21  THR   6          HG21      THR   6  -7.580   2.075   9.734
   40   HG22  THR   6          HG22      THR   6  -8.708   0.784  10.159
   41   HG23  THR   6          HG23      THR   6  -9.062   2.463  10.646
   42    H    LEU   7           H        LEU   7  -8.370   0.796   6.358
   43    HA   LEU   7           HA       LEU   7  -6.086  -0.732   6.861
   44    HB2  LEU   7           HB3      LEU   7  -7.779  -1.573   5.455
   45    HB3  LEU   7           HB2      LEU   7  -7.425  -0.386   4.232
   46    HG   LEU   7           HG       LEU   7  -6.871  -2.743   3.960
   47   HD11  LEU   7          HD11      LEU   7  -6.145  -1.008   2.462
   48   HD12  LEU   7          HD12      LEU   7  -4.873  -2.227   2.558
   49   HD13  LEU   7          HD13      LEU   7  -4.702  -0.676   3.427
   50   HD21  LEU   7          HD21      LEU   7  -5.688  -2.878   6.174
   51   HD22  LEU   7          HD22      LEU   7  -4.291  -2.163   5.360
   52   HD23  LEU   7          HD23      LEU   7  -4.925  -3.707   4.803
   53    H    LEU   8           H        LEU   8  -6.199   1.519   4.423
   54    HA   LEU   8           HA       LEU   8  -3.372   1.732   3.818
   55    HB2  LEU   8           HB3      LEU   8  -5.373   3.973   3.316
   56    HB3  LEU   8           HB2      LEU   8  -3.646   4.012   2.946
   57    HG   LEU   8           HG       LEU   8  -3.836   2.399   1.239
   58   HD11  LEU   8          HD11      LEU   8  -6.699   1.954   1.216
   59   HD12  LEU   8          HD12      LEU   8  -5.915   1.314   2.665
   60   HD13  LEU   8          HD13      LEU   8  -5.365   0.803   1.085
   61   HD21  LEU   8          HD21      LEU   8  -4.872   3.644  -0.313
   62   HD22  LEU   8          HD22      LEU   8  -4.900   4.803   1.008
   63   HD23  LEU   8          HD23      LEU   8  -6.342   3.873   0.671
   64    H    GLN   9           H        GLN   9  -5.294   3.425   6.119
   65    HA   GLN   9           HA       GLN   9  -3.452   5.266   7.243
   66    HB2  GLN   9           HB3      GLN   9  -5.802   5.522   7.199
   67    HB3  GLN   9           HB2      GLN   9  -6.045   3.960   7.937
   68    HG2  GLN   9           HG3      GLN   9  -6.449   5.462   9.527
   69    HG3  GLN   9           HG2      GLN   9  -4.826   4.779   9.790
   70   HE21  GLN   9          HE22      GLN   9  -3.398   6.272  10.571
   71   HE22  GLN   9          HE21      GLN   9  -3.328   7.919  10.050
   72    H    ASP  10           H        ASP  10  -4.184   2.138   7.662
   73    HA   ASP  10           HA       ASP  10  -3.220   1.626  10.404
   74    HB2  ASP  10           HB3      ASP  10  -4.354  -0.298   8.441
   75    HB3  ASP  10           HB2      ASP  10  -3.580  -0.846   9.926
   76    H    LEU  11           H        LEU  11  -2.130   0.857   7.201
   77    HA   LEU  11           HA       LEU  11   0.218  -0.322   8.280
   78    HB2  LEU  11           HB3      LEU  11   0.902  -0.737   6.011
   79    HB3  LEU  11           HB2      LEU  11  -0.638  -1.495   6.411
   80    HG   LEU  11           HG       LEU  11  -1.560   0.621   5.243
   81   HD11  LEU  11          HD11      LEU  11   0.684   0.572   3.437
   82   HD12  LEU  11          HD12      LEU  11   1.145   1.037   5.066
   83   HD13  LEU  11          HD13      LEU  11  -0.117   1.947   4.221
   84   HD21  LEU  11          HD21      LEU  11  -0.318  -1.353   3.394
   85   HD22  LEU  11          HD22      LEU  11  -1.958  -0.703   3.397
   86   HD23  LEU  11          HD23      LEU  11  -1.485  -1.924   4.587
   87    H    THR  12           H        THR  12  -0.836   2.487   7.043
   88    HA   THR  12           HA       THR  12   1.644   3.896   6.681
   89    HB   THR  12           HB       THR  12  -1.152   4.933   6.999
   90    HG1  THR  12           HG1      THR  12  -0.987   4.047   5.050
   91   HG21  THR  12          HG21      THR  12   0.145   6.811   5.754
   92   HG22  THR  12          HG22      THR  12   1.419   6.226   6.880
   93   HG23  THR  12          HG23      THR  12  -0.156   6.725   7.545
   94    H    ASN  13           H        ASN  13  -0.534   3.407   9.385
   95    HA   ASN  13           HA       ASN  13   0.781   5.132  11.248
   96    HB2  ASN  13           HB3      ASN  13  -0.698   2.549  11.969
   97    HB3  ASN  13           HB2      ASN  13  -0.195   3.801  13.090
   98   HD21  ASN  13          HD22      ASN  13  -2.803   2.506  11.956
   99   HD22  ASN  13          HD21      ASN  13  -3.849   3.840  11.783
  100    H    ASN  14           H        ASN  14   1.335   1.879  10.178
  101    HA   ASN  14           HA       ASN  14   3.544   1.494  12.053
  102    HB2  ASN  14           HB3      ASN  14   2.335  -0.424  10.013
  103    HB3  ASN  14           HB2      ASN  14   3.658  -0.789  11.102
  104   HD21  ASN  14          HD22      ASN  14   0.346  -0.893  10.766
  105   HD22  ASN  14          HD21      ASN  14  -0.069  -1.144  12.429
  106    H    ILE  15           H        ILE  15   3.173   2.896   9.176
  107    HA   ILE  15           HA       ILE  15   5.585   2.046   7.889
  108    HB   ILE  15           HB       ILE  15   3.413   3.991   7.246
  109   HG12  ILE  15          HG13      ILE  15   3.301   1.689   6.439
  110   HG13  ILE  15          HG12      ILE  15   3.313   2.880   5.127
  111   HG21  ILE  15          HG21      ILE  15   4.382   5.164   5.582
  112   HG22  ILE  15          HG22      ILE  15   5.778   4.090   5.461
  113   HG23  ILE  15          HG23      ILE  15   5.622   5.203   6.847
  114   HD11  ILE  15          HD11      ILE  15   5.949   2.365   5.365
  115   HD12  ILE  15          HD12      ILE  15   4.865   1.548   4.254
  116   HD13  ILE  15          HD13      ILE  15   5.290   0.798   5.808
  117    H    THR  16           H        THR  16   7.508   2.689   8.446
  118    HA   THR  16           HA       THR  16   7.834   5.257   9.647
  119    HB   THR  16           HB       THR  16  10.136   4.725   9.882
  120    HG1  THR  16           HG1      THR  16  10.181   2.117   9.003
  121   HG21  THR  16          HG21      THR  16   8.562   3.852  11.348
  122   HG22  THR  16          HG22      THR  16  10.112   2.948  11.321
  123   HG23  THR  16          HG23      THR  16   8.665   2.280  10.454
  124    H    LEU  17           H        LEU  17   8.922   6.537   8.570
  125    HA   LEU  17           HA       LEU  17   8.410   7.013   5.835
  126    HB2  LEU  17           HB3      LEU  17   9.476   8.660   7.471
  127    HB3  LEU  17           HB2      LEU  17  11.019   7.912   7.142
  128    HG   LEU  17           HG       LEU  17   9.307   9.583   5.311
  129   HD11  LEU  17          HD11      LEU  17  12.094  10.083   6.252
  130   HD12  LEU  17          HD12      LEU  17  10.662  10.655   7.094
  131   HD13  LEU  17          HD13      LEU  17  11.004  11.217   5.457
  132   HD21  LEU  17          HD21      LEU  17  11.077   9.447   3.627
  133   HD22  LEU  17          HD22      LEU  17  10.347   7.877   3.929
  134   HD23  LEU  17          HD23      LEU  17  11.942   8.247   4.592
  135    H    GLU  18           H        GLU  18  11.208   5.539   7.333
  136    HA   GLU  18           HA       GLU  18  12.642   4.730   5.057
  137    HB2  GLU  18           HB3      GLU  18  12.693   3.525   7.820
  138    HB3  GLU  18           HB2      GLU  18  13.942   3.280   6.600
  139    HG2  GLU  18           HG3      GLU  18  14.367   5.691   6.575
  140    HG3  GLU  18           HG2      GLU  18  13.137   5.933   7.802
  141    H    ASP  19           H        ASP  19  10.502   2.865   7.035
  142    HA   ASP  19           HA       ASP  19  10.489   0.402   5.693
  143    HB2  ASP  19           HB3      ASP  19   8.008   1.673   6.959
  144    HB3  ASP  19           HB2      ASP  19   7.983   0.029   6.300
  145    H    LEU  20           H        LEU  20   8.239   3.011   5.098
  146    HA   LEU  20           HA       LEU  20   7.165   2.176   2.701
  147    HB2  LEU  20           HB3      LEU  20   6.697   4.432   3.916
  148    HB3  LEU  20           HB2      LEU  20   8.091   4.922   2.937
  149    HG   LEU  20           HG       LEU  20   7.075   4.305   0.939
  150   HD11  LEU  20          HD11      LEU  20   4.607   3.711   2.526
  151   HD12  LEU  20          HD12      LEU  20   5.607   2.550   1.652
  152   HD13  LEU  20          HD13      LEU  20   4.713   3.785   0.768
  153   HD21  LEU  20          HD21      LEU  20   6.923   6.539   1.585
  154   HD22  LEU  20          HD22      LEU  20   5.586   6.203   2.683
  155   HD23  LEU  20          HD23      LEU  20   5.335   6.079   0.942
  156    H    GLU  21           H        GLU  21  10.216   3.809   3.126
  157    HA   GLU  21           HA       GLU  21  10.749   4.080   0.368
  158    HB2  GLU  21           HB3      GLU  21  12.837   3.879   2.555
  159    HB3  GLU  21           HB2      GLU  21  13.196   4.254   0.881
  160    HG2  GLU  21           HG3      GLU  21  11.750   6.285   1.094
  161    HG3  GLU  21           HG2      GLU  21  11.619   5.936   2.822
  162    H    GLN  22           H        GLN  22  11.250   1.621   2.476
  163    HA   GLN  22           HA       GLN  22  12.688  -0.125   0.720
  164    HB2  GLN  22           HB3      GLN  22  12.632  -0.672   3.131
  165    HB3  GLN  22           HB2      GLN  22  10.910  -1.046   2.973
  166    HG2  GLN  22           HG3      GLN  22  11.409  -2.809   1.397
  167    HG3  GLN  22           HG2      GLN  22  13.127  -2.446   1.536
  168   HE21  GLN  22          HE22      GLN  22  14.008  -3.885   2.535
  169   HE22  GLN  22          HE21      GLN  22  13.528  -4.726   3.956
  170    H    LEU  23           H        LEU  23   9.167   0.130   1.424
  171    HA   LEU  23           HA       LEU  23   8.379  -1.794  -0.296
  172    HB2  LEU  23           HB3      LEU  23   7.075   0.816   0.538
  173    HB3  LEU  23           HB2      LEU  23   6.238  -0.476  -0.300
  174    HG   LEU  23           HG       LEU  23   7.487  -0.725   2.411
  175   HD11  LEU  23          HD11      LEU  23   5.755   0.813   2.734
  176   HD12  LEU  23          HD12      LEU  23   4.944  -0.732   2.995
  177   HD13  LEU  23          HD13      LEU  23   4.779   0.105   1.446
  178   HD21  LEU  23          HD21      LEU  23   6.895  -2.740   0.816
  179   HD22  LEU  23          HD22      LEU  23   5.270  -2.429   1.425
  180   HD23  LEU  23          HD23      LEU  23   6.577  -2.803   2.553
  181    H    LYS  24           H        LYS  24   8.966   1.484  -0.605
  182    HA   LYS  24           HA       LYS  24   8.248   2.018  -3.356
  183    HB2  LYS  24           HB3      LYS  24  10.465   3.525  -1.891
  184    HB3  LYS  24           HB2      LYS  24   9.698   4.040  -3.384
  185    HG2  LYS  24           HG3      LYS  24   7.508   4.200  -2.071
  186    HG3  LYS  24           HG2      LYS  24   8.458   3.933  -0.609
  187    HD2  LYS  24           HD3      LYS  24   8.871   6.184  -2.548
  188    HD3  LYS  24           HD2      LYS  24   8.042   6.269  -0.993
  189    HE2  LYS  24           HE3      LYS  24  10.119   5.667   0.140
  190    HE3  LYS  24           HE2      LYS  24  10.946   5.553  -1.410
  191    HZ1  LYS  24           HZ1      LYS  24  11.472   7.655  -0.618
  192    HZ2  LYS  24           HZ2      LYS  24   9.897   7.971  -0.062
  193    HZ3  LYS  24           HZ3      LYS  24  10.235   7.961  -1.724
  194    H    SER  25           H        SER  25  10.973   1.311  -2.028
  195    HA   SER  25           HA       SER  25  12.860   0.897  -4.139
  196    HB2  SER  25           HB3      SER  25  13.009  -0.694  -1.564
  197    HB3  SER  25           HB2      SER  25  14.320  -0.620  -2.754
  198    HG   SER  25           HG       SER  25  13.278   1.431  -1.103
  199    H    ALA  26           H        ALA  26  10.940  -1.318  -2.678
  200    HA   ALA  26           HA       ALA  26  11.152  -3.503  -4.563
  201    HB1  ALA  26           HB1      ALA  26   8.494  -3.579  -3.682
  202    HB2  ALA  26           HB2      ALA  26   9.399  -2.891  -2.340
  203    HB3  ALA  26           HB3      ALA  26   9.860  -4.468  -3.010
  204    H    CYS  27           H        CYS  27   8.900  -0.738  -4.366
  205    HA   CYS  27           HA       CYS  27   7.562  -1.281  -6.730
  206    HB2  CYS  27           HB3      CYS  27   7.831   1.361  -5.366
  207    HB3  CYS  27           HB2      CYS  27   6.669   0.829  -6.585
  208    HG   CYS  27           HG       CYS  27   6.901  -0.402  -3.417
  209    H    LYS  28           H        LYS  28  10.729  -0.273  -6.614
  210    HA   LYS  28           HA       LYS  28  10.962   2.122  -7.926
  211    HB2  LYS  28           HB3      LYS  28  12.640  -0.313  -8.346
  212    HB3  LYS  28           HB2      LYS  28  13.041   1.204  -9.129
  213    HG2  LYS  28           HG3      LYS  28  12.988   0.625  -6.178
  214    HG3  LYS  28           HG2      LYS  28  14.428   0.763  -7.188
  215    HD2  LYS  28           HD3      LYS  28  13.582   3.101  -7.755
  216    HD3  LYS  28           HD2      LYS  28  12.473   2.880  -6.388
  217    HE2  LYS  28           HE3      LYS  28  15.393   2.555  -6.332
  218    HE3  LYS  28           HE2      LYS  28  14.573   4.068  -5.856
  219    HZ1  LYS  28           HZ1      LYS  28  13.456   2.121  -4.251
  220    HZ2  LYS  28           HZ2      LYS  28  14.753   3.135  -3.815
  221    HZ3  LYS  28           HZ3      LYS  28  15.075   1.610  -4.400
  222    H    GLU  29           H        GLU  29  10.576  -0.898  -9.417
  223    HA   GLU  29           HA       GLU  29  10.532   0.156 -12.047
  224    HB2  GLU  29           HB3      GLU  29   9.690  -2.550 -11.126
  225    HB3  GLU  29           HB2      GLU  29   9.814  -2.064 -12.821
  226    HG2  GLU  29           HG3      GLU  29  12.174  -1.482 -12.459
  227    HG3  GLU  29           HG2      GLU  29  12.039  -2.075 -10.809
  228    H    ASP  30           H        ASP  30   7.834  -0.599  -9.865
  229    HA   ASP  30           HA       ASP  30   6.042   0.001 -12.027
  230    HB2  ASP  30           HB3      ASP  30   5.440  -1.010  -9.290
  231    HB3  ASP  30           HB2      ASP  30   4.175  -0.257 -10.230
  232    H    ILE  31           H        ILE  31   6.929   1.642  -9.055
  233    HA   ILE  31           HA       ILE  31   5.049   3.668  -9.899
  234    HB   ILE  31           HB       ILE  31   4.999   2.756  -7.498
  235   HG12  ILE  31          HG13      ILE  31   3.985   4.961  -8.022
  236   HG13  ILE  31          HG12      ILE  31   4.568   4.811  -6.364
  237   HG21  ILE  31          HG21      ILE  31   7.456   2.713  -7.261
  238   HG22  ILE  31          HG22      ILE  31   6.499   3.381  -5.909
  239   HG23  ILE  31          HG23      ILE  31   7.357   4.476  -7.007
  240   HD11  ILE  31          HD11      ILE  31   6.015   6.475  -6.615
  241   HD12  ILE  31          HD12      ILE  31   5.040   6.926  -8.022
  242   HD13  ILE  31          HD13      ILE  31   6.476   5.927  -8.243
  243    HA   PRO  32           HA       PRO  32   8.199   5.628 -11.891
  244    HB2  PRO  32           HB2      PRO  32   6.740   8.176 -11.287
  245    HB3  PRO  32           HB3      PRO  32   7.378   7.601 -12.831
  246    HG2  PRO  32           HG3      PRO  32   4.802   7.359 -12.320
  247    HG3  PRO  32           HG2      PRO  32   5.682   6.026 -13.084
  248    HD2  PRO  32           HD3      PRO  32   4.825   6.305 -10.235
  249    HD3  PRO  32           HD2      PRO  32   4.787   4.870 -11.289
  250    H    SER  33           H        SER  33   9.938   6.453 -11.555
  251    HA   SER  33           HA       SER  33  11.293   6.750  -9.067
  252    HB2  SER  33           HB3      SER  33  12.518   6.401 -11.280
  253    HB3  SER  33           HB2      SER  33  12.225   8.090 -11.636
  254    HG   SER  33           HG       SER  33  13.480   8.597  -9.723
  255    H    GLU  34           H        GLU  34  10.435   9.215 -11.205
  256    HA   GLU  34           HA       GLU  34  10.831  11.683 -10.063
  257    HB2  GLU  34           HB3      GLU  34   9.722  11.263 -12.254
  258    HB3  GLU  34           HB2      GLU  34   8.258  10.827 -11.416
  259    HG2  GLU  34           HG3      GLU  34   8.178  13.198 -10.557
  260    HG3  GLU  34           HG2      GLU  34   9.530  13.540 -11.636
  261    H    LYS  35           H        LYS  35   8.207   9.773  -9.669
  262    HA   LYS  35           HA       LYS  35   6.882  11.206  -7.600
  263    HB2  LYS  35           HB3      LYS  35   6.254   8.543  -8.839
  264    HB3  LYS  35           HB2      LYS  35   5.209   9.308  -7.640
  265    HG2  LYS  35           HG3      LYS  35   6.065  10.615 -10.206
  266    HG3  LYS  35           HG2      LYS  35   4.537   9.740 -10.015
  267    HD2  LYS  35           HD3      LYS  35   3.942  11.201  -8.181
  268    HD3  LYS  35           HD2      LYS  35   5.467  12.054  -8.339
  269    HE2  LYS  35           HE3      LYS  35   3.336  11.957 -10.490
  270    HE3  LYS  35           HE2      LYS  35   3.524  13.254  -9.309
  271    HZ1  LYS  35           HZ1      LYS  35   5.670  13.729 -10.196
  272    HZ2  LYS  35           HZ2      LYS  35   4.501  13.834 -11.382
  273    HZ3  LYS  35           HZ3      LYS  35   5.555  12.539 -11.410
  274    H    SER  36           H        SER  36   8.447   8.006  -7.476
  275    HA   SER  36           HA       SER  36   8.127   7.417  -4.834
  276    HB2  SER  36           HB3      SER  36   9.120   5.945  -6.488
  277    HB3  SER  36           HB2      SER  36  10.588   6.929  -6.545
  278    HG   SER  36           HG       SER  36  10.244   4.878  -5.106
  279    H    GLU  37           H        GLU  37  10.126   9.638  -6.117
  280    HA   GLU  37           HA       GLU  37  11.892  10.349  -3.897
  281    HB2  GLU  37           HB3      GLU  37  11.125  12.169  -6.195
  282    HB3  GLU  37           HB2      GLU  37  12.294  12.589  -4.972
  283    HG2  GLU  37           HG3      GLU  37  13.712  10.704  -5.678
  284    HG3  GLU  37           HG2      GLU  37  12.521  10.285  -6.906
  285    H    GLU  38           H        GLU  38   9.027  11.552  -4.941
  286    HA   GLU  38           HA       GLU  38   8.676  13.443  -2.730
  287    HB2  GLU  38           HB3      GLU  38   6.457  14.183  -3.438
  288    HB3  GLU  38           HB2      GLU  38   7.583  14.180  -4.776
  289    HG2  GLU  38           HG3      GLU  38   6.551  12.168  -5.665
  290    HG3  GLU  38           HG2      GLU  38   5.536  12.072  -4.233
  291    H    ILE  39           H        ILE  39   7.838  10.307  -3.137
  292    HA   ILE  39           HA       ILE  39   5.721  10.171  -1.228
  293    HB   ILE  39           HB       ILE  39   7.390   7.898  -2.371
  294   HG12  ILE  39          HG13      ILE  39   4.658   8.861  -3.167
  295   HG13  ILE  39          HG12      ILE  39   6.139   9.261  -4.067
  296   HG21  ILE  39          HG21      ILE  39   4.627   7.804  -1.201
  297   HG22  ILE  39          HG22      ILE  39   6.085   7.515  -0.243
  298   HG23  ILE  39          HG23      ILE  39   5.706   6.450  -1.608
  299   HD11  ILE  39          HD11      ILE  39   5.419   6.451  -3.465
  300   HD12  ILE  39          HD12      ILE  39   6.350   7.146  -4.805
  301   HD13  ILE  39          HD13      ILE  39   4.573   7.340  -4.735
  302    H    THR  40           H        THR  40   7.307  11.441   0.197
  303    HA   THR  40           HA       THR  40   8.918   9.732   1.935
  304    HB   THR  40           HB       THR  40   9.900  11.832   1.365
  305    HG1  THR  40           HG1      THR  40   8.981  11.724   4.000
  306   HG21  THR  40          HG21      THR  40   8.144  13.754   2.590
  307   HG22  THR  40          HG22      THR  40   7.269  12.728   1.436
  308   HG23  THR  40          HG23      THR  40   8.683  13.614   0.905
  309    H    THR  41           H        THR  41   5.970   9.510   1.782
  310    HA   THR  41           HA       THR  41   5.539   8.990   4.442
  311    HB   THR  41           HB       THR  41   4.898  11.164   4.769
  312    HG1  THR  41           HG1      THR  41   3.426  10.153   5.961
  313   HG21  THR  41          HG21      THR  41   4.424  12.122   2.687
  314   HG22  THR  41          HG22      THR  41   2.887  12.225   3.550
  315   HG23  THR  41          HG23      THR  41   3.153  10.947   2.359
  316    H    GLY  42           H        GLY  42   3.769   7.715   4.851
  317    HA2  GLY  42           HA3      GLY  42   3.491   5.803   2.757
  318    HA3  GLY  42           HA2      GLY  42   2.561   5.751   4.251
  319    H    SER  43           H        SER  43   0.885   8.025   4.180
  320    HA   SER  43           HA       SER  43  -1.054   7.516   2.558
  321    HB2  SER  43           HB3      SER  43  -0.021  10.113   3.654
  322    HB3  SER  43           HB2      SER  43  -1.708   9.764   3.248
  323    HG   SER  43           HG       SER  43  -1.911   8.663   5.027
  324    H    ALA  44           H        ALA  44   1.627   9.486   2.040
  325    HA   ALA  44           HA       ALA  44   0.945  10.945  -0.309
  326    HB1  ALA  44           HB1      ALA  44   3.315  10.842   1.044
  327    HB2  ALA  44           HB2      ALA  44   3.105  11.641  -0.520
  328    HB3  ALA  44           HB3      ALA  44   3.735   9.996  -0.448
  329    H    TRP  45           H        TRP  45   2.524   7.811  -0.136
  330    HA   TRP  45           HA       TRP  45   2.517   7.311  -2.903
  331    HB2  TRP  45           HB3      TRP  45   3.825   6.058  -1.127
  332    HB3  TRP  45           HB2      TRP  45   2.305   5.350  -0.647
  333    HD1  TRP  45           HD1      TRP  45   3.589   5.728  -4.278
  334    HE1  TRP  45           HE1      TRP  45   3.711   3.326  -5.235
  335    HE3  TRP  45           HE3      TRP  45   2.344   3.116  -0.108
  336    HZ2  TRP  45           HZ2      TRP  45   3.345   0.721  -4.333
  337    HZ3  TRP  45           HZ3      TRP  45   2.270   0.653  -0.241
  338    HH2  TRP  45           HH2      TRP  45   2.764  -0.474  -2.330
  339    H    PHE  46           H        PHE  46   0.243   6.172  -0.440
  340    HA   PHE  46           HA       PHE  46  -1.389   4.921  -2.276
  341    HB2  PHE  46           HB3      PHE  46  -2.315   6.393   0.171
  342    HB3  PHE  46           HB2      PHE  46  -3.310   5.290  -0.765
  343    HD1  PHE  46           HD1      PHE  46  -2.076   3.006  -1.243
  344    HD2  PHE  46           HD2      PHE  46  -1.428   5.518   2.151
  345    HE1  PHE  46           HE1      PHE  46  -1.449   1.058   0.065
  346    HE2  PHE  46           HE2      PHE  46  -0.837   3.521   3.473
  347    HZ   PHE  46           HZ       PHE  46  -0.836   1.315   2.394
  348    H    SER  47           H        SER  47  -1.704   7.957  -1.105
  349    HA   SER  47           HA       SER  47  -3.777   8.984  -2.816
  350    HB2  SER  47           HB3      SER  47  -1.679  10.622  -1.455
  351    HB3  SER  47           HB2      SER  47  -3.183  11.267  -2.152
  352    HG   SER  47           HG       SER  47  -4.087   9.419  -0.728
  353    H    PHE  48           H        PHE  48  -0.390   8.807  -3.561
  354    HA   PHE  48           HA       PHE  48  -0.611  10.261  -6.056
  355    HB2  PHE  48           HB3      PHE  48   1.612   9.931  -5.169
  356    HB3  PHE  48           HB2      PHE  48   1.308   8.204  -4.978
  357    HD1  PHE  48           HD1      PHE  48   1.142  10.736  -7.759
  358    HD2  PHE  48           HD2      PHE  48   2.204   6.866  -6.432
  359    HE1  PHE  48           HE1      PHE  48   1.875  10.193  -9.996
  360    HE2  PHE  48           HE2      PHE  48   2.999   6.291  -8.691
  361    HZ   PHE  48           HZ       PHE  48   2.817   7.983 -10.507
  362    H    LEU  49           H        LEU  49  -0.407   6.783  -5.101
  363    HA   LEU  49           HA       LEU  49  -0.663   5.579  -7.416
  364    HB2  LEU  49           HB3      LEU  49  -0.274   5.054  -4.947
  365    HB3  LEU  49           HB2      LEU  49  -2.016   4.685  -4.945
  366    HG   LEU  49           HG       LEU  49  -1.450   2.663  -6.478
  367   HD11  LEU  49          HD11      LEU  49   0.308   3.510  -7.753
  368   HD12  LEU  49          HD12      LEU  49   1.041   2.343  -6.664
  369   HD13  LEU  49          HD13      LEU  49   1.177   4.071  -6.327
  370   HD21  LEU  49          HD21      LEU  49   0.099   3.110  -3.937
  371   HD22  LEU  49          HD22      LEU  49   0.154   1.605  -4.848
  372   HD23  LEU  49          HD23      LEU  49  -1.365   2.159  -4.175
  373    H    GLU  50           H        GLU  50  -3.114   6.192  -5.082
  374    HA   GLU  50           HA       GLU  50  -5.670   5.754  -6.168
  375    HB2  GLU  50           HB3      GLU  50  -5.056   8.242  -4.520
  376    HB3  GLU  50           HB2      GLU  50  -6.670   7.661  -4.844
  377    HG2  GLU  50           HG3      GLU  50  -6.261   5.678  -3.514
  378    HG3  GLU  50           HG2      GLU  50  -4.573   6.143  -3.307
  379    H    SER  51           H        SER  51  -3.981   8.372  -6.390
  380    HA   SER  51           HA       SER  51  -5.459  10.073  -8.207
  381    HB2  SER  51           HB3      SER  51  -2.438  10.237  -7.985
  382    HB3  SER  51           HB2      SER  51  -3.437  11.395  -8.874
  383    HG   SER  51           HG       SER  51  -3.441  10.786  -6.128
  384    H    HIS  52           H        HIS  52  -3.256   7.443  -8.911
  385    HA   HIS  52           HA       HIS  52  -3.981   7.785 -11.729
  386    HB2  HIS  52           HB3      HIS  52  -1.667   6.304 -10.539
  387    HB3  HIS  52           HB2      HIS  52  -2.069   6.122 -12.284
  388    HD1  HIS  52           HD1      HIS  52   0.286   7.159 -12.930
  389    HD2  HIS  52           HD2      HIS  52  -1.969   9.266 -10.258
  390    HE1  HIS  52           HE1      HIS  52   1.482   9.337 -12.748
  391    H    ASN  53           H        ASN  53  -3.612   5.181 -12.643
  392    HA   ASN  53           HA       ASN  53  -5.940   3.947 -11.438
  393    HB2  ASN  53           HB3      ASN  53  -4.427   3.283 -13.975
  394    HB3  ASN  53           HB2      ASN  53  -5.894   2.471 -13.427
  395   HD21  ASN  53          HD22      ASN  53  -4.776   4.697 -15.530
  396   HD22  ASN  53          HD21      ASN  53  -6.182   5.680 -15.691
  397    H    LYS  54           H        LYS  54  -3.638   3.862  -9.822
  398    HA   LYS  54           HA       LYS  54  -2.998   1.058 -10.176
  399    HB2  LYS  54           HB3      LYS  54  -1.195   2.998  -8.686
  400    HB3  LYS  54           HB2      LYS  54  -0.887   1.277  -8.867
  401    HG2  LYS  54           HG3      LYS  54  -0.802   3.415 -11.007
  402    HG3  LYS  54           HG2      LYS  54   0.463   2.343 -10.359
  403    HD2  LYS  54           HD3      LYS  54  -1.929   1.407 -11.895
  404    HD3  LYS  54           HD2      LYS  54  -0.353   1.703 -12.619
  405    HE2  LYS  54           HE3      LYS  54   0.602  -0.021 -11.130
  406    HE3  LYS  54           HE2      LYS  54  -0.981  -0.278 -10.425
  407    HZ1  LYS  54           HZ1      LYS  54  -1.765  -1.305 -12.258
  408    HZ2  LYS  54           HZ2      LYS  54  -0.152  -1.811 -12.297
  409    HZ3  LYS  54           HZ3      LYS  54  -0.694  -0.553 -13.333
  410    H    LEU  55           H        LEU  55  -4.914   2.933  -8.279
  411    HA   LEU  55           HA       LEU  55  -5.454   0.666  -6.635
  412    HB2  LEU  55           HB3      LEU  55  -3.480   1.364  -5.431
  413    HB3  LEU  55           HB2      LEU  55  -4.078   2.998  -5.291
  414    HG   LEU  55           HG       LEU  55  -5.455   0.680  -3.885
  415   HD11  LEU  55          HD11      LEU  55  -3.776   0.609  -2.371
  416   HD12  LEU  55          HD12      LEU  55  -3.935   2.331  -2.081
  417   HD13  LEU  55          HD13      LEU  55  -2.854   1.751  -3.342
  418   HD21  LEU  55          HD21      LEU  55  -5.622   3.636  -3.811
  419   HD22  LEU  55          HD22      LEU  55  -5.735   2.810  -2.262
  420   HD23  LEU  55          HD23      LEU  55  -6.890   2.439  -3.553
  421    H    ASP  56           H        ASP  56  -7.380   0.609  -6.872
  422    HA   ASP  56           HA       ASP  56  -9.258   2.768  -6.595
  423    HB2  ASP  56           HB3      ASP  56  -9.841  -0.184  -6.591
  424    HB3  ASP  56           HB2      ASP  56 -11.035   1.098  -6.549
  425    H    LYS  57           H        LYS  57 -11.036   2.526  -5.095
  426    HA   LYS  57           HA       LYS  57 -10.246   2.382  -2.370
  427    HB2  LYS  57           HB3      LYS  57 -12.522   2.633  -1.746
  428    HB3  LYS  57           HB2      LYS  57 -12.291   3.635  -3.161
  429    HG2  LYS  57           HG3      LYS  57 -13.475   0.921  -3.102
  430    HG3  LYS  57           HG2      LYS  57 -14.420   2.416  -3.223
  431    HD2  LYS  57           HD3      LYS  57 -13.193   2.863  -5.350
  432    HD3  LYS  57           HD2      LYS  57 -12.413   1.293  -5.071
  433    HE2  LYS  57           HE3      LYS  57 -14.375   1.170  -6.723
  434    HE3  LYS  57           HE2      LYS  57 -14.481   0.079  -5.350
  435    HZ1  LYS  57           HZ1      LYS  57 -16.185   1.198  -4.454
  436    HZ2  LYS  57           HZ2      LYS  57 -16.544   1.564  -6.052
  437    HZ3  LYS  57           HZ3      LYS  57 -15.784   2.717  -5.074
  438    H    ASP  58           H        ASP  58 -11.162  -0.086  -4.617
  439    HA   ASP  58           HA       ASP  58 -11.528  -1.987  -2.429
  440    HB2  ASP  58           HB3      ASP  58 -12.297  -2.250  -5.319
  441    HB3  ASP  58           HB2      ASP  58 -12.330  -3.607  -4.210
  442    H    ASN  59           H        ASN  59  -9.775  -1.316  -5.185
  443    HA   ASN  59           HA       ASN  59  -8.403  -3.851  -5.090
  444    HB2  ASN  59           HB3      ASN  59  -8.059  -1.502  -6.923
  445    HB3  ASN  59           HB2      ASN  59  -7.128  -3.000  -7.042
  446   HD21  ASN  59          HD22      ASN  59 -10.001  -1.464  -7.794
  447   HD22  ASN  59          HD21      ASN  59 -10.846  -2.818  -8.407
  448    H    LEU  60           H        LEU  60  -6.904  -4.376  -4.164
  449    HA   LEU  60           HA       LEU  60  -4.917  -2.521  -3.125
  450    HB2  LEU  60           HB3      LEU  60  -4.684  -4.072  -1.184
  451    HB3  LEU  60           HB2      LEU  60  -6.179  -3.180  -1.285
  452    HG   LEU  60           HG       LEU  60  -7.279  -5.260  -2.156
  453   HD11  LEU  60          HD11      LEU  60  -4.600  -6.417  -1.628
  454   HD12  LEU  60          HD12      LEU  60  -5.596  -6.482  -3.079
  455   HD13  LEU  60          HD13      LEU  60  -6.072  -7.418  -1.648
  456   HD21  LEU  60          HD21      LEU  60  -5.982  -5.771   0.485
  457   HD22  LEU  60          HD22      LEU  60  -7.625  -6.168  -0.033
  458   HD23  LEU  60          HD23      LEU  60  -7.160  -4.485   0.227
  459    H    SER  61           H        SER  61  -5.315  -5.288  -4.852
  460    HA   SER  61           HA       SER  61  -3.122  -6.792  -4.331
  461    HB2  SER  61           HB3      SER  61  -4.868  -7.576  -5.901
  462    HB3  SER  61           HB2      SER  61  -4.223  -6.526  -7.157
  463    HG   SER  61           HG       SER  61  -2.800  -8.609  -5.871
  464    H    TYR  62           H        TYR  62  -3.026  -3.990  -6.174
  465    HA   TYR  62           HA       TYR  62  -0.343  -4.008  -7.227
  466    HB2  TYR  62           HB3      TYR  62  -1.883  -2.093  -7.760
  467    HB3  TYR  62           HB2      TYR  62  -1.818  -1.577  -6.078
  468    HD1  TYR  62           HD1      TYR  62   0.144  -1.832  -9.216
  469    HD2  TYR  62           HD2      TYR  62   0.105  -0.320  -5.231
  470    HE1  TYR  62           HE1      TYR  62   2.210  -0.614  -9.624
  471    HE2  TYR  62           HE2      TYR  62   2.229   0.733  -5.604
  472    HH   TYR  62           HH       TYR  62   4.159   0.208  -8.287
  473    H    ILE  63           H        ILE  63  -1.635  -2.826  -4.188
  474    HA   ILE  63           HA       ILE  63   0.922  -2.200  -3.043
  475    HB   ILE  63           HB       ILE  63  -0.205  -1.197  -1.259
  476   HG12  ILE  63          HG13      ILE  63  -2.805  -2.402  -2.148
  477   HG13  ILE  63          HG12      ILE  63  -1.839  -3.170  -0.874
  478   HG21  ILE  63          HG21      ILE  63  -1.757  -0.920  -3.697
  479   HG22  ILE  63          HG22      ILE  63  -0.297  -0.033  -3.220
  480   HG23  ILE  63          HG23      ILE  63  -1.812   0.176  -2.312
  481   HD11  ILE  63          HD11      ILE  63  -2.698  -0.327  -0.830
  482   HD12  ILE  63          HD12      ILE  63  -1.937  -1.285   0.427
  483   HD13  ILE  63          HD13      ILE  63  -3.625  -1.647  -0.041
  484    H    GLU  64           H        GLU  64  -1.204  -4.795  -3.083
  485    HA   GLU  64           HA       GLU  64  -0.573  -6.121  -0.596
  486    HB2  GLU  64           HB3      GLU  64  -2.578  -6.691  -1.945
  487    HB3  GLU  64           HB2      GLU  64  -1.516  -7.261  -3.224
  488    HG2  GLU  64           HG3      GLU  64  -0.691  -9.020  -1.755
  489    HG3  GLU  64           HG2      GLU  64  -1.754  -8.448  -0.479
  490    H    HIS  65           H        HIS  65   0.472  -6.715  -3.939
  491    HA   HIS  65           HA       HIS  65   2.670  -8.357  -3.527
  492    HB2  HIS  65           HB3      HIS  65   1.637  -7.659  -5.677
  493    HB3  HIS  65           HB2      HIS  65   2.112  -6.015  -5.328
  494    HD1  HIS  65           HD1      HIS  65   4.002  -9.326  -5.818
  495    HD2  HIS  65           HD2      HIS  65   4.164  -5.277  -6.703
  496    HE1  HIS  65           HE1      HIS  65   5.996  -9.072  -7.336
  497    H    ILE  66           H        ILE  66   2.780  -4.973  -3.730
  498    HA   ILE  66           HA       ILE  66   5.279  -4.524  -3.189
  499    HB   ILE  66           HB       ILE  66   3.125  -2.950  -1.853
  500   HG12  ILE  66          HG13      ILE  66   2.837  -3.311  -4.070
  501   HG13  ILE  66          HG12      ILE  66   3.139  -1.560  -3.964
  502   HG21  ILE  66          HG21      ILE  66   6.057  -2.179  -2.303
  503   HG22  ILE  66          HG22      ILE  66   5.187  -2.221  -0.783
  504   HG23  ILE  66          HG23      ILE  66   4.803  -0.989  -1.964
  505   HD11  ILE  66          HD11      ILE  66   4.208  -3.490  -5.643
  506   HD12  ILE  66          HD12      ILE  66   5.512  -3.121  -4.501
  507   HD13  ILE  66          HD13      ILE  66   4.742  -1.811  -5.454
  508    H    PHE  67           H        PHE  67   2.798  -5.002  -0.509
  509    HA   PHE  67           HA       PHE  67   4.683  -4.772   1.365
  510    HB2  PHE  67           HB3      PHE  67   1.954  -6.029   1.404
  511    HB3  PHE  67           HB2      PHE  67   2.943  -5.678   2.833
  512    HD1  PHE  67           HD1      PHE  67   3.940  -3.178   2.693
  513    HD2  PHE  67           HD2      PHE  67   0.354  -4.572   0.993
  514    HE1  PHE  67           HE1      PHE  67   3.096  -0.876   2.653
  515    HE2  PHE  67           HE2      PHE  67  -0.525  -2.280   0.948
  516    HZ   PHE  67           HZ       PHE  67   0.866  -0.418   1.783
  517    H    GLU  68           H        GLU  68   3.788  -7.584  -0.719
  518    HA   GLU  68           HA       GLU  68   4.754  -9.488   1.151
  519    HB2  GLU  68           HB3      GLU  68   3.114 -10.049  -0.555
  520    HB3  GLU  68           HB2      GLU  68   4.234  -9.567  -1.832
  521    HG2  GLU  68           HG3      GLU  68   5.741 -11.389  -1.114
  522    HG3  GLU  68           HG2      GLU  68   4.533 -11.866   0.079
  523    H    ILE  69           H        ILE  69   5.901  -8.146  -1.912
  524    HA   ILE  69           HA       ILE  69   8.288  -9.363  -1.938
  525    HB   ILE  69           HB       ILE  69   9.022  -7.832  -3.630
  526   HG12  ILE  69          HG13      ILE  69   6.456  -6.327  -3.027
  527   HG13  ILE  69          HG12      ILE  69   8.105  -5.745  -2.786
  528   HG21  ILE  69          HG21      ILE  69   7.799  -9.048  -5.028
  529   HG22  ILE  69          HG22      ILE  69   6.332  -8.191  -4.546
  530   HG23  ILE  69          HG23      ILE  69   6.875  -9.597  -3.621
  531   HD11  ILE  69          HD11      ILE  69   6.503  -5.559  -5.040
  532   HD12  ILE  69          HD12      ILE  69   7.803  -6.716  -5.376
  533   HD13  ILE  69          HD13      ILE  69   8.220  -5.077  -4.826
  534    H    SER  70           H        SER  70   7.551  -6.340  -0.502
  535    HA   SER  70           HA       SER  70  10.291  -5.771   0.165
  536    HB2  SER  70           HB3      SER  70   8.711  -3.958  -0.394
  537    HB3  SER  70           HB2      SER  70   7.693  -4.452   0.948
  538    HG   SER  70           HG       SER  70   9.196  -3.723   2.368
  539    H    ARG  71           H        ARG  71  11.107  -5.961   2.252
  540    HA   ARG  71           HA       ARG  71   9.989  -8.129   3.583
  541    HB2  ARG  71           HB3      ARG  71  12.475  -6.609   4.311
  542    HB3  ARG  71           HB2      ARG  71  11.940  -8.123   5.042
  543    HG2  ARG  71           HG3      ARG  71  12.548  -7.686   2.175
  544    HG3  ARG  71           HG2      ARG  71  13.616  -8.541   3.323
  545    HD2  ARG  71           HD3      ARG  71  10.852  -9.267   2.406
  546    HD3  ARG  71           HD2      ARG  71  12.321 -10.077   1.871
  547    HE   ARG  71           HE       ARG  71  10.722 -10.771   4.005
  548   HH11  ARG  71          HH11      ARG  71  14.276 -10.266   3.683
  549   HH12  ARG  71          HH12      ARG  71  14.601 -11.480   4.808
  550   HH21  ARG  71          HH22      ARG  71  11.285 -12.356   5.551
  551   HH22  ARG  71          HH21      ARG  71  12.887 -12.644   5.977
  552    H    ARG  72           H        ARG  72   8.090  -6.658   3.981
  553    HA   ARG  72           HA       ARG  72   7.987  -6.081   6.814
  554    HB2  ARG  72           HB3      ARG  72   7.195  -3.963   4.790
  555    HB3  ARG  72           HB2      ARG  72   6.624  -3.940   6.460
  556    HG2  ARG  72           HG3      ARG  72   9.509  -4.055   5.697
  557    HG3  ARG  72           HG2      ARG  72   8.629  -2.537   6.058
  558    HD2  ARG  72           HD3      ARG  72   8.753  -4.877   7.939
  559    HD3  ARG  72           HD2      ARG  72   9.978  -3.605   7.971
  560    HE   ARG  72           HE       ARG  72   7.725  -2.197   8.132
  561   HH11  ARG  72          HH11      ARG  72   8.320  -5.124  10.031
  562   HH12  ARG  72          HH12      ARG  72   7.944  -4.410  11.503
  563   HH21  ARG  72          HH22      ARG  72   7.372  -1.177  10.107
  564   HH22  ARG  72          HH21      ARG  72   7.408  -2.015  11.598
  565    HA   PRO  73           HA       PRO  73   4.654  -8.780   5.200
  566    HB2  PRO  73           HB2      PRO  73   5.264 -10.298   7.626
  567    HB3  PRO  73           HB3      PRO  73   5.215 -10.825   5.942
  568    HG2  PRO  73           HG3      PRO  73   7.517 -10.531   7.371
  569    HG3  PRO  73           HG2      PRO  73   7.422 -10.409   5.608
  570    HD2  PRO  73           HD3      PRO  73   7.648  -8.248   7.650
  571    HD3  PRO  73           HD2      PRO  73   8.258  -8.325   5.985
  572    H    ASP  74           H        ASP  74   5.210  -6.922   8.037
  573    HA   ASP  74           HA       ASP  74   2.899  -7.744   9.569
  574    HB2  ASP  74           HB3      ASP  74   4.487  -5.165   9.674
  575    HB3  ASP  74           HB2      ASP  74   3.285  -5.658  10.862
  576    H    LEU  75           H        LEU  75   3.642  -5.234   7.544
  577    HA   LEU  75           HA       LEU  75   1.028  -4.057   7.434
  578    HB2  LEU  75           HB3      LEU  75   3.253  -3.701   5.439
  579    HB3  LEU  75           HB2      LEU  75   1.722  -2.873   5.312
  580    HG   LEU  75           HG       LEU  75   2.213  -1.606   7.399
  581   HD11  LEU  75          HD11      LEU  75   5.039  -2.653   7.366
  582   HD12  LEU  75          HD12      LEU  75   3.792  -3.515   8.267
  583   HD13  LEU  75          HD13      LEU  75   4.134  -1.825   8.636
  584   HD21  LEU  75          HD21      LEU  75   4.526  -1.525   5.543
  585   HD22  LEU  75          HD22      LEU  75   3.774  -0.201   6.422
  586   HD23  LEU  75          HD23      LEU  75   2.918  -0.980   5.092
  587    H    LEU  76           H        LEU  76   2.648  -6.085   5.301
  588    HA   LEU  76           HA       LEU  76   0.697  -6.701   3.285
  589    HB2  LEU  76           HB3      LEU  76   2.875  -8.083   3.343
  590    HB3  LEU  76           HB2      LEU  76   2.060  -9.019   4.620
  591    HG   LEU  76           HG       LEU  76   0.206  -9.319   2.994
  592   HD11  LEU  76          HD11      LEU  76   0.122  -8.415   1.199
  593   HD12  LEU  76          HD12      LEU  76   1.414  -9.478   0.628
  594   HD13  LEU  76          HD13      LEU  76   1.807  -7.893   1.279
  595   HD21  LEU  76          HD21      LEU  76   2.019 -11.084   1.781
  596   HD22  LEU  76          HD22      LEU  76   0.903 -11.348   3.136
  597   HD23  LEU  76          HD23      LEU  76   2.560 -10.828   3.461
  598    H    THR  77           H        THR  77   1.155  -8.315   6.202
  599    HA   THR  77           HA       THR  77  -0.978  -9.962   6.480
  600    HB   THR  77           HB       THR  77   0.421  -8.367   8.541
  601    HG1  THR  77           HG1      THR  77   1.827  -9.767   7.781
  602   HG21  THR  77          HG21      THR  77  -1.578 -10.520   8.825
  603   HG22  THR  77          HG22      THR  77  -1.500  -8.900   9.550
  604   HG23  THR  77          HG23      THR  77  -0.362 -10.177  10.105
  605    H    MET  78           H        MET  78  -0.863  -6.609   7.407
  606    HA   MET  78           HA       MET  78  -3.542  -6.450   8.294
  607    HB2  MET  78           HB3      MET  78  -1.751  -4.229   7.336
  608    HB3  MET  78           HB2      MET  78  -3.349  -3.988   8.038
  609    HG2  MET  78           HG3      MET  78  -1.140  -5.478   9.404
  610    HG3  MET  78           HG2      MET  78  -1.530  -3.768   9.742
  611    HE1  MET  78           HE1      MET  78  -1.456  -4.575  12.095
  612    HE2  MET  78           HE2      MET  78  -1.761  -6.306  12.240
  613    HE3  MET  78           HE3      MET  78  -2.880  -5.161  12.967
  614    H    VAL  79           H        VAL  79  -2.157  -6.087   5.092
  615    HA   VAL  79           HA       VAL  79  -4.547  -5.159   3.808
  616    HB   VAL  79           HB       VAL  79  -2.172  -6.672   2.694
  617   HG11  VAL  79          HG11      VAL  79  -3.234  -4.747   0.881
  618   HG12  VAL  79          HG12      VAL  79  -4.523  -5.826   1.428
  619   HG13  VAL  79          HG13      VAL  79  -3.068  -6.493   0.686
  620   HG21  VAL  79          HG21      VAL  79  -1.048  -4.948   3.476
  621   HG22  VAL  79          HG22      VAL  79  -2.458  -3.904   3.593
  622   HG23  VAL  79          HG23      VAL  79  -1.648  -4.113   2.034
  623    H    VAL  80           H        VAL  80  -2.907  -8.233   4.098
  624    HA   VAL  80           HA       VAL  80  -4.781  -9.961   2.919
  625    HB   VAL  80           HB       VAL  80  -2.874 -10.485   5.256
  626   HG11  VAL  80          HG11      VAL  80  -3.105 -12.814   4.845
  627   HG12  VAL  80          HG12      VAL  80  -4.204 -12.523   3.475
  628   HG13  VAL  80          HG13      VAL  80  -4.698 -12.107   5.128
  629   HG21  VAL  80          HG21      VAL  80  -2.457 -10.188   2.409
  630   HG22  VAL  80          HG22      VAL  80  -1.905 -11.762   3.005
  631   HG23  VAL  80          HG23      VAL  80  -1.301 -10.267   3.727
  632    H    ASP  81           H        ASP  81  -4.400  -9.114   6.106
  633    HA   ASP  81           HA       ASP  81  -6.546 -10.309   7.432
  634    HB2  ASP  81           HB3      ASP  81  -4.847  -9.112   8.729
  635    HB3  ASP  81           HB2      ASP  81  -5.421  -7.578   8.110
  636    H    TYR  82           H        TYR  82  -6.348  -7.157   6.058
  637    HA   TYR  82           HA       TYR  82  -8.950  -6.065   6.407
  638    HB2  TYR  82           HB3      TYR  82  -7.219  -4.690   5.642
  639    HB3  TYR  82           HB2      TYR  82  -6.923  -5.740   4.243
  640    HD1  TYR  82           HD2      TYR  82  -9.632  -3.795   5.817
  641    HD2  TYR  82           HD1      TYR  82  -7.753  -5.121   2.311
  642    HE1  TYR  82           HE2      TYR  82 -11.204  -2.454   4.466
  643    HE2  TYR  82           HE1      TYR  82  -9.299  -3.855   0.932
  644    HH   TYR  82           HH       TYR  82 -10.978  -2.406   0.936
  645    H    ARG  83           H        ARG  83  -7.566  -7.777   3.615
  646    HA   ARG  83           HA       ARG  83  -9.727  -7.772   1.963
  647    HB2  ARG  83           HB3      ARG  83  -7.530  -8.163   1.210
  648    HB3  ARG  83           HB2      ARG  83  -7.265  -9.421   2.373
  649    HG2  ARG  83           HG3      ARG  83  -9.153  -9.747   0.131
  650    HG3  ARG  83           HG2      ARG  83  -7.399 -10.001  -0.093
  651    HD2  ARG  83           HD3      ARG  83  -7.541 -11.634   1.768
  652    HD3  ARG  83           HD2      ARG  83  -9.294 -11.452   1.765
  653    HE   ARG  83           HE       ARG  83  -8.441 -12.038  -0.819
  654   HH11  ARG  83          HH11      ARG  83  -8.745 -13.660   2.314
  655   HH12  ARG  83          HH12      ARG  83  -8.828 -15.231   1.671
  656   HH21  ARG  83          HH22      ARG  83  -8.506 -14.158  -1.716
  657   HH22  ARG  83          HH21      ARG  83  -8.569 -15.541  -0.716
  658    H    THR  84           H        THR  84  -8.719 -10.033   4.025
  659    HA   THR  84           HA       THR  84 -10.841 -11.956   3.837
  660    HB   THR  84           HB       THR  84  -9.072 -11.419   6.166
  661    HG1  THR  84           HG1      THR  84  -7.663 -11.937   4.655
  662   HG21  THR  84          HG21      THR  84  -9.429 -13.971   6.304
  663   HG22  THR  84          HG22      THR  84 -10.881 -13.540   5.349
  664   HG23  THR  84          HG23      THR  84 -10.607 -12.754   6.923
  665    H    ARG  85           H        ARG  85 -10.189 -10.049   6.338
  666    HA   ARG  85           HA       ARG  85 -12.353 -10.287   7.878
  667    HB2  ARG  85           HB3      ARG  85 -11.772  -8.494   9.426
  668    HB3  ARG  85           HB2      ARG  85 -10.316  -9.231   8.798
  669    HG2  ARG  85           HG3      ARG  85  -9.708  -7.012   8.835
  670    HG3  ARG  85           HG2      ARG  85 -10.368  -7.085   7.199
  671    HD2  ARG  85           HD3      ARG  85 -12.480  -6.352   7.971
  672    HD3  ARG  85           HD2      ARG  85 -11.924  -6.330   9.640
  673    HE   ARG  85           HE       ARG  85 -11.889  -4.147   8.009
  674   HH11  ARG  85          HH11      ARG  85  -9.043  -5.776   9.563
  675   HH12  ARG  85          HH12      ARG  85  -8.302  -4.301   9.909
  676   HH21  ARG  85          HH22      ARG  85 -10.896  -2.262   8.686
  677   HH22  ARG  85          HH21      ARG  85  -9.326  -2.233   9.394
  678    H    VAL  86           H        VAL  86 -11.997  -7.837   5.825
  679    HA   VAL  86           HA       VAL  86 -14.638  -6.753   5.907
  680    HB   VAL  86           HB       VAL  86 -12.656  -6.542   3.639
  681   HG11  VAL  86          HG11      VAL  86 -14.747  -4.456   3.911
  682   HG12  VAL  86          HG12      VAL  86 -15.374  -6.015   3.382
  683   HG13  VAL  86          HG13      VAL  86 -14.110  -5.209   2.452
  684   HG21  VAL  86          HG21      VAL  86 -11.661  -5.147   5.083
  685   HG22  VAL  86          HG22      VAL  86 -13.021  -5.285   6.195
  686   HG23  VAL  86          HG23      VAL  86 -13.067  -4.097   4.898
  687    H    LEU  87           H        LEU  87 -13.355  -9.354   4.005
  688    HA   LEU  87           HA       LEU  87 -15.706  -9.849   2.447
  689    HB2  LEU  87           HB3      LEU  87 -13.478 -11.676   3.319
  690    HB3  LEU  87           HB2      LEU  87 -14.806 -12.229   2.290
  691    HG   LEU  87           HG       LEU  87 -12.726 -10.129   1.654
  692   HD11  LEU  87          HD11      LEU  87 -12.039 -12.557   1.667
  693   HD12  LEU  87          HD12      LEU  87 -11.759 -11.666   0.170
  694   HD13  LEU  87          HD13      LEU  87 -13.119 -12.778   0.287
  695   HD21  LEU  87          HD21      LEU  87 -14.802  -9.526   0.601
  696   HD22  LEU  87          HD22      LEU  87 -15.012 -11.163  -0.034
  697   HD23  LEU  87          HD23      LEU  87 -13.687 -10.152  -0.609
  698    H    LYS  88           H        LYS  88 -14.564 -11.110   5.457
  699    HA   LYS  88           HA       LYS  88 -16.829 -12.665   5.975
  700    HB2  LYS  88           HB3      LYS  88 -14.784 -13.228   7.153
  701    HB3  LYS  88           HB2      LYS  88 -14.771 -11.645   7.937
  702    HG2  LYS  88           HG3      LYS  88 -15.446 -13.489   9.462
  703    HG3  LYS  88           HG2      LYS  88 -16.676 -12.244   9.283
  704    HD2  LYS  88           HD3      LYS  88 -17.867 -13.665   7.674
  705    HD3  LYS  88           HD2      LYS  88 -16.642 -14.922   7.869
  706    HE2  LYS  88           HE3      LYS  88 -17.218 -15.169  10.187
  707    HE3  LYS  88           HE2      LYS  88 -18.357 -13.818  10.097
  708    HZ1  LYS  88           HZ1      LYS  88 -19.358 -16.098   9.990
  709    HZ2  LYS  88           HZ2      LYS  88 -18.637 -16.298   8.478
  710    HZ3  LYS  88           HZ3      LYS  88 -19.779 -15.061   8.735
  711    H    ILE  89           H        ILE  89 -16.280  -9.244   6.690
  712    HA   ILE  89           HA       ILE  89 -18.469  -8.909   8.404
  713    HB   ILE  89           HB       ILE  89 -16.771  -7.176   6.666
  714   HG12  ILE  89          HG13      ILE  89 -16.888  -7.393   9.676
  715   HG13  ILE  89          HG12      ILE  89 -15.618  -7.996   8.611
  716   HG21  ILE  89          HG21      ILE  89 -18.551  -5.773   8.533
  717   HG22  ILE  89          HG22      ILE  89 -19.131  -6.451   6.974
  718   HG23  ILE  89          HG23      ILE  89 -17.799  -5.311   6.977
  719   HD11  ILE  89          HD11      ILE  89 -15.699  -5.560   9.905
  720   HD12  ILE  89          HD12      ILE  89 -16.069  -5.186   8.225
  721   HD13  ILE  89          HD13      ILE  89 -14.581  -6.041   8.615
  722    H    SER  90           H        SER  90 -17.865  -8.490   4.958
  723    HA   SER  90           HA       SER  90 -20.518  -7.508   4.488
  724    HB2  SER  90           HB3      SER  90 -18.300  -8.247   2.624
  725    HB3  SER  90           HB2      SER  90 -19.764  -7.334   2.178
  726    HG   SER  90           HG       SER  90 -17.567  -6.612   3.734
  Start of MODEL   15
    1    H1   MET   1           H        MET   1 -12.583   3.502   0.655
    2    H2   MET   1           H2       MET   1 -12.710   2.274  -0.449
    3    H3   MET   1           H3       MET   1 -13.807   3.593  -0.477
    4    HA   MET   1           HA       MET   1 -15.062   2.697   1.072
    5    HB2  MET   1           HB3      MET   1 -13.175   0.320   0.796
    6    HB3  MET   1           HB2      MET   1 -14.727   0.231   1.600
    7    HG2  MET   1           HG3      MET   1 -15.809   0.909  -0.561
    8    HG3  MET   1           HG2      MET   1 -14.231   0.836  -1.313
    9    HE1  MET   1           HE1      MET   1 -12.935  -1.796  -1.776
   10    HE2  MET   1           HE2      MET   1 -13.453  -3.073  -0.674
   11    HE3  MET   1           HE3      MET   1 -12.863  -1.536  -0.034
   12    H    ALA   2           H        ALA   2 -15.224   2.758   3.202
   13    HA   ALA   2           HA       ALA   2 -13.149   4.156   4.519
   14    HB1  ALA   2           HB1      ALA   2 -15.084   2.931   6.415
   15    HB2  ALA   2           HB2      ALA   2 -15.753   3.913   5.116
   16    HB3  ALA   2           HB3      ALA   2 -14.597   4.620   6.248
   17    H    GLU   3           H        GLU   3 -14.161   1.045   5.652
   18    HA   GLU   3           HA       GLU   3 -12.052   0.583   7.225
   19    HB2  GLU   3           HB3      GLU   3 -13.381  -1.547   5.513
   20    HB3  GLU   3           HB2      GLU   3 -12.223  -1.925   6.781
   21    HG2  GLU   3           HG3      GLU   3 -14.478  -2.296   7.603
   22    HG3  GLU   3           HG2      GLU   3 -13.725  -0.971   8.460
   23    H    TYR   4           H        TYR   4 -12.093   0.224   4.036
   24    HA   TYR   4           HA       TYR   4  -9.417  -0.670   3.467
   25    HB2  TYR   4           HB3      TYR   4 -10.898  -0.548   1.532
   26    HB3  TYR   4           HB2      TYR   4 -10.802   1.251   1.498
   27    HD1  TYR   4           HD1      TYR   4  -8.411  -1.571   1.796
   28    HD2  TYR   4           HD2      TYR   4  -9.551   1.823  -0.587
   29    HE1  TYR   4           HE1      TYR   4  -6.549  -1.997   0.273
   30    HE2  TYR   4           HE2      TYR   4  -7.698   1.390  -2.038
   31    HH   TYR   4           HH       TYR   4  -6.309  -0.648  -2.713
   32    H    GLY   5           H        GLY   5 -10.774   2.426   3.669
   33    HA2  GLY   5           HA3      GLY   5  -8.598   4.229   3.455
   34    HA3  GLY   5           HA2      GLY   5  -9.978   4.599   4.485
   35    H    THR   6           H        THR   6  -9.783   2.697   6.546
   36    HA   THR   6           HA       THR   6  -7.598   3.595   8.126
   37    HB   THR   6           HB       THR   6  -9.391   1.199   8.393
   38    HG1  THR   6           HG1      THR   6  -9.938   3.816   8.437
   39   HG21  THR   6          HG21      THR   6  -9.001   1.825  10.845
   40   HG22  THR   6          HG22      THR   6  -7.647   2.755  10.201
   41   HG23  THR   6          HG23      THR   6  -7.716   1.003   9.918
   42    H    LEU   7           H        LEU   7  -8.313   0.709   6.433
   43    HA   LEU   7           HA       LEU   7  -6.077  -0.928   6.892
   44    HB2  LEU   7           HB3      LEU   7  -7.832  -1.676   5.524
   45    HB3  LEU   7           HB2      LEU   7  -7.470  -0.479   4.312
   46    HG   LEU   7           HG       LEU   7  -6.977  -2.876   3.983
   47   HD11  LEU   7          HD11      LEU   7  -4.793  -0.838   3.433
   48   HD12  LEU   7          HD12      LEU   7  -6.273  -1.125   2.485
   49   HD13  LEU   7          HD13      LEU   7  -5.014  -2.361   2.534
   50   HD21  LEU   7          HD21      LEU   7  -5.358  -3.963   5.046
   51   HD22  LEU   7          HD22      LEU   7  -5.496  -2.667   6.228
   52   HD23  LEU   7          HD23      LEU   7  -4.256  -2.589   4.977
   53    H    LEU   8           H        LEU   8  -6.159   1.332   4.492
   54    HA   LEU   8           HA       LEU   8  -3.383   1.465   3.757
   55    HB2  LEU   8           HB3      LEU   8  -5.351   3.744   3.591
   56    HB3  LEU   8           HB2      LEU   8  -3.650   3.877   3.146
   57    HG   LEU   8           HG       LEU   8  -3.929   2.405   1.286
   58   HD11  LEU   8          HD11      LEU   8  -5.445   0.776   2.318
   59   HD12  LEU   8          HD12      LEU   8  -5.985   1.284   0.725
   60   HD13  LEU   8          HD13      LEU   8  -6.759   1.928   2.170
   61   HD21  LEU   8          HD21      LEU   8  -5.560   4.740   1.609
   62   HD22  LEU   8          HD22      LEU   8  -6.322   3.604   0.493
   63   HD23  LEU   8          HD23      LEU   8  -4.664   4.154   0.200
   64    H    GLN   9           H        GLN   9  -5.064   3.093   6.224
   65    HA   GLN   9           HA       GLN   9  -2.930   4.561   7.321
   66    HB2  GLN   9           HB3      GLN   9  -5.002   5.575   7.390
   67    HB3  GLN   9           HB2      GLN   9  -5.761   4.070   7.884
   68    HG2  GLN   9           HG3      GLN   9  -5.340   4.232   9.811
   69    HG3  GLN   9           HG2      GLN   9  -3.849   5.249   9.825
   70   HE21  GLN   9          HE22      GLN   9  -4.205   7.396  10.009
   71   HE22  GLN   9          HE21      GLN   9  -5.738   8.135  10.327
   72    H    ASP  10           H        ASP  10  -4.058   1.541   7.694
   73    HA   ASP  10           HA       ASP  10  -3.324   0.838  10.448
   74    HB2  ASP  10           HB3      ASP  10  -4.108  -0.884   8.097
   75    HB3  ASP  10           HB2      ASP  10  -3.487  -1.620   9.569
   76    H    LEU  11           H        LEU  11  -1.995   0.422   7.210
   77    HA   LEU  11           HA       LEU  11   0.392  -0.664   8.204
   78    HB2  LEU  11           HB3      LEU  11   1.059  -0.818   5.906
   79    HB3  LEU  11           HB2      LEU  11  -0.453  -1.666   6.224
   80    HG   LEU  11           HG       LEU  11  -1.404   0.593   5.288
   81   HD11  LEU  11          HD11      LEU  11   0.904   0.612   3.495
   82   HD12  LEU  11          HD12      LEU  11   1.229   1.090   5.169
   83   HD13  LEU  11          HD13      LEU  11  -0.001   1.936   4.259
   84   HD21  LEU  11          HD21      LEU  11  -1.638  -1.774   4.414
   85   HD22  LEU  11          HD22      LEU  11  -0.228  -1.482   3.421
   86   HD23  LEU  11          HD23      LEU  11  -1.686  -0.528   3.178
   87    H    THR  12           H        THR  12  -0.817   2.312   7.202
   88    HA   THR  12           HA       THR  12   1.607   3.823   6.835
   89    HB   THR  12           HB       THR  12  -1.260   4.613   7.250
   90    HG1  THR  12           HG1      THR  12  -0.935   3.805   5.299
   91   HG21  THR  12          HG21      THR  12   1.027   6.260   7.492
   92   HG22  THR  12          HG22      THR  12  -0.722   6.576   7.728
   93   HG23  THR  12          HG23      THR  12  -0.023   6.649   6.072
   94    H    ASN  13           H        ASN  13  -0.446   3.199   9.615
   95    HA   ASN  13           HA       ASN  13   0.984   4.840  11.480
   96    HB2  ASN  13           HB3      ASN  13  -0.732   2.399  12.033
   97    HB3  ASN  13           HB2      ASN  13   0.033   3.333  13.306
   98   HD21  ASN  13          HD22      ASN  13  -2.845   2.816  11.976
   99   HD22  ASN  13          HD21      ASN  13  -3.563   4.371  12.167
  100    H    ASN  14           H        ASN  14   1.498   1.713  10.198
  101    HA   ASN  14           HA       ASN  14   3.619   1.089  12.097
  102    HB2  ASN  14           HB3      ASN  14   2.497  -0.545   9.796
  103    HB3  ASN  14           HB2      ASN  14   3.780  -1.084  10.868
  104   HD21  ASN  14          HD22      ASN  14   1.838   0.582  12.902
  105   HD22  ASN  14          HD21      ASN  14   0.751  -0.680  13.370
  106    H    ILE  15           H        ILE  15   3.316   2.586   9.134
  107    HA   ILE  15           HA       ILE  15   5.770   1.859   7.864
  108    HB   ILE  15           HB       ILE  15   3.586   3.840   7.373
  109   HG12  ILE  15          HG13      ILE  15   3.393   1.562   6.447
  110   HG13  ILE  15          HG12      ILE  15   3.334   2.833   5.216
  111   HG21  ILE  15          HG21      ILE  15   6.244   4.184   6.108
  112   HG22  ILE  15          HG22      ILE  15   5.108   5.382   6.783
  113   HG23  ILE  15          HG23      ILE  15   4.745   4.569   5.257
  114   HD11  ILE  15          HD11      ILE  15   6.033   1.898   5.668
  115   HD12  ILE  15          HD12      ILE  15   5.109   2.093   4.188
  116   HD13  ILE  15          HD13      ILE  15   4.943   0.616   5.120
  117    H    THR  16           H        THR  16   7.734   2.515   8.395
  118    HA   THR  16           HA       THR  16   8.140   5.063   9.639
  119    HB   THR  16           HB       THR  16  10.438   4.510   9.747
  120    HG1  THR  16           HG1      THR  16  10.396   1.913   8.743
  121   HG21  THR  16          HG21      THR  16  10.474   2.694  11.153
  122   HG22  THR  16          HG22      THR  16   9.034   2.021  10.312
  123   HG23  THR  16          HG23      THR  16   8.893   3.548  11.257
  124    H    LEU  17           H        LEU  17   9.208   6.371   8.528
  125    HA   LEU  17           HA       LEU  17   8.606   6.774   5.800
  126    HB2  LEU  17           HB3      LEU  17   9.772   8.494   7.422
  127    HB3  LEU  17           HB2      LEU  17  11.263   7.847   6.809
  128    HG   LEU  17           HG       LEU  17   9.163   9.385   5.270
  129   HD11  LEU  17          HD11      LEU  17  10.995  10.471   6.840
  130   HD12  LEU  17          HD12      LEU  17  10.400  11.204   5.348
  131   HD13  LEU  17          HD13      LEU  17  11.920  10.331   5.339
  132   HD21  LEU  17          HD21      LEU  17  11.093   9.380   3.501
  133   HD22  LEU  17          HD22      LEU  17   9.871   8.117   3.532
  134   HD23  LEU  17          HD23      LEU  17  11.460   7.801   4.223
  135    H    GLU  18           H        GLU  18  11.447   5.310   7.185
  136    HA   GLU  18           HA       GLU  18  12.785   4.496   4.799
  137    HB2  GLU  18           HB3      GLU  18  12.882   2.964   7.379
  138    HB3  GLU  18           HB2      GLU  18  14.011   2.808   6.049
  139    HG2  GLU  18           HG3      GLU  18  14.669   5.144   6.350
  140    HG3  GLU  18           HG2      GLU  18  13.635   5.197   7.787
  141    H    ASP  19           H        ASP  19  10.621   2.754   6.768
  142    HA   ASP  19           HA       ASP  19  10.499   0.363   5.326
  143    HB2  ASP  19           HB3      ASP  19   8.172   1.633   6.855
  144    HB3  ASP  19           HB2      ASP  19   8.065   0.011   6.106
  145    H    LEU  20           H        LEU  20   8.311   3.092   4.886
  146    HA   LEU  20           HA       LEU  20   7.216   2.360   2.501
  147    HB2  LEU  20           HB3      LEU  20   6.759   4.528   3.830
  148    HB3  LEU  20           HB2      LEU  20   8.126   5.096   2.832
  149    HG   LEU  20           HG       LEU  20   7.030   4.576   0.840
  150   HD11  LEU  20          HD11      LEU  20   4.685   3.748   2.559
  151   HD12  LEU  20          HD12      LEU  20   5.596   2.765   1.421
  152   HD13  LEU  20          HD13      LEU  20   4.579   4.080   0.829
  153   HD21  LEU  20          HD21      LEU  20   6.141   6.598   0.810
  154   HD22  LEU  20          HD22      LEU  20   6.538   6.656   2.530
  155   HD23  LEU  20          HD23      LEU  20   4.924   6.153   2.004
  156    H    GLU  21           H        GLU  21  10.316   3.963   2.956
  157    HA   GLU  21           HA       GLU  21  11.106   4.508   0.335
  158    HB2  GLU  21           HB3      GLU  21  12.759   3.507   2.657
  159    HB3  GLU  21           HB2      GLU  21  13.469   4.006   1.141
  160    HG2  GLU  21           HG3      GLU  21  11.771   5.771   2.801
  161    HG3  GLU  21           HG2      GLU  21  13.535   5.652   3.045
  162    H    GLN  22           H        GLN  22  11.321   1.792   2.236
  163    HA   GLN  22           HA       GLN  22  12.684   0.033   0.439
  164    HB2  GLN  22           HB3      GLN  22  12.759  -0.629   2.755
  165    HB3  GLN  22           HB2      GLN  22  10.994  -0.801   2.788
  166    HG2  GLN  22           HG3      GLN  22  11.132  -2.667   1.236
  167    HG3  GLN  22           HG2      GLN  22  12.874  -2.470   1.119
  168   HE21  GLN  22          HE22      GLN  22  13.751  -4.066   2.052
  169   HE22  GLN  22          HE21      GLN  22  13.363  -4.690   3.626
  170    H    LEU  23           H        LEU  23   9.188   0.384   1.165
  171    HA   LEU  23           HA       LEU  23   8.339  -1.501  -0.584
  172    HB2  LEU  23           HB3      LEU  23   7.114   1.158   0.276
  173    HB3  LEU  23           HB2      LEU  23   6.232  -0.127  -0.522
  174    HG   LEU  23           HG       LEU  23   7.493  -0.297   2.203
  175   HD11  LEU  23          HD11      LEU  23   4.576  -0.116   1.551
  176   HD12  LEU  23          HD12      LEU  23   5.574   1.321   1.799
  177   HD13  LEU  23          HD13      LEU  23   5.388   0.144   3.098
  178   HD21  LEU  23          HD21      LEU  23   5.325  -2.098   1.714
  179   HD22  LEU  23          HD22      LEU  23   6.971  -2.455   2.209
  180   HD23  LEU  23          HD23      LEU  23   6.582  -2.324   0.494
  181    H    LYS  24           H        LYS  24   9.093   1.762  -0.819
  182    HA   LYS  24           HA       LYS  24   8.460   2.394  -3.560
  183    HB2  LYS  24           HB3      LYS  24  10.642   3.726  -1.901
  184    HB3  LYS  24           HB2      LYS  24  10.088   4.324  -3.432
  185    HG2  LYS  24           HG3      LYS  24   8.372   4.252  -0.869
  186    HG3  LYS  24           HG2      LYS  24   9.144   5.642  -1.565
  187    HD2  LYS  24           HD3      LYS  24   6.806   5.662  -2.074
  188    HD3  LYS  24           HD2      LYS  24   7.732   5.423  -3.553
  189    HE2  LYS  24           HE3      LYS  24   5.742   4.014  -3.467
  190    HE3  LYS  24           HE2      LYS  24   7.210   3.040  -3.494
  191    HZ1  LYS  24           HZ1      LYS  24   5.894   2.092  -1.870
  192    HZ2  LYS  24           HZ2      LYS  24   5.384   3.582  -1.252
  193    HZ3  LYS  24           HZ3      LYS  24   6.967   3.057  -0.975
  194    H    SER  25           H        SER  25  11.139   1.558  -2.266
  195    HA   SER  25           HA       SER  25  13.028   1.055  -4.401
  196    HB2  SER  25           HB3      SER  25  13.084  -0.615  -1.851
  197    HB3  SER  25           HB2      SER  25  14.416  -0.502  -3.021
  198    HG   SER  25           HG       SER  25  13.318   1.576  -1.433
  199    H    ALA  26           H        ALA  26  10.991  -1.083  -2.924
  200    HA   ALA  26           HA       ALA  26  11.142  -3.260  -4.799
  201    HB1  ALA  26           HB1      ALA  26   9.574  -2.712  -2.487
  202    HB2  ALA  26           HB2      ALA  26   9.728  -4.258  -3.333
  203    HB3  ALA  26           HB3      ALA  26   8.464  -3.122  -3.797
  204    H    CYS  27           H        CYS  27   8.936  -0.459  -4.550
  205    HA   CYS  27           HA       CYS  27   7.545  -1.008  -6.871
  206    HB2  CYS  27           HB3      CYS  27   7.812   1.624  -5.451
  207    HB3  CYS  27           HB2      CYS  27   6.675   1.135  -6.693
  208    HG   CYS  27           HG       CYS  27   5.727  -0.953  -4.984
  209    H    LYS  28           H        LYS  28  10.698  -0.041  -6.876
  210    HA   LYS  28           HA       LYS  28  10.814   2.282  -8.359
  211    HB2  LYS  28           HB3      LYS  28  12.625  -0.093  -8.651
  212    HB3  LYS  28           HB2      LYS  28  12.971   1.475  -9.404
  213    HG2  LYS  28           HG3      LYS  28  13.048   2.462  -7.181
  214    HG3  LYS  28           HG2      LYS  28  12.731   0.889  -6.462
  215    HD2  LYS  28           HD3      LYS  28  15.104   1.371  -6.312
  216    HD3  LYS  28           HD2      LYS  28  14.862   0.048  -7.445
  217    HE2  LYS  28           HE3      LYS  28  15.343   2.943  -8.215
  218    HE3  LYS  28           HE2      LYS  28  16.596   1.723  -8.137
  219    HZ1  LYS  28           HZ1      LYS  28  15.594   2.264 -10.416
  220    HZ2  LYS  28           HZ2      LYS  28  14.228   1.418  -9.910
  221    HZ3  LYS  28           HZ3      LYS  28  15.735   0.653 -10.038
  222    H    GLU  29           H        GLU  29  10.235  -0.895  -9.685
  223    HA   GLU  29           HA       GLU  29  10.180   0.089 -12.351
  224    HB2  GLU  29           HB3      GLU  29   9.204  -2.513 -11.255
  225    HB3  GLU  29           HB2      GLU  29   9.260  -2.115 -12.964
  226    HG2  GLU  29           HG3      GLU  29  11.711  -1.715 -12.704
  227    HG3  GLU  29           HG2      GLU  29  11.570  -2.335 -11.064
  228    H    ASP  30           H        ASP  30   7.789  -0.497  -9.870
  229    HA   ASP  30           HA       ASP  30   5.593  -0.295 -11.652
  230    HB2  ASP  30           HB3      ASP  30   5.777  -0.406  -8.664
  231    HB3  ASP  30           HB2      ASP  30   4.274  -0.403  -9.544
  232    H    ILE  31           H        ILE  31   6.823   1.794  -9.064
  233    HA   ILE  31           HA       ILE  31   4.889   3.782  -9.948
  234    HB   ILE  31           HB       ILE  31   4.883   2.982  -7.494
  235   HG12  ILE  31          HG13      ILE  31   3.899   5.224  -8.099
  236   HG13  ILE  31          HG12      ILE  31   4.451   5.070  -6.441
  237   HG21  ILE  31          HG21      ILE  31   7.346   2.913  -7.311
  238   HG22  ILE  31          HG22      ILE  31   6.470   3.680  -5.977
  239   HG23  ILE  31          HG23      ILE  31   7.280   4.687  -7.165
  240   HD11  ILE  31          HD11      ILE  31   5.019   7.180  -8.110
  241   HD12  ILE  31          HD12      ILE  31   6.439   6.114  -8.254
  242   HD13  ILE  31          HD13      ILE  31   5.869   6.697  -6.657
  243    HA   PRO  32           HA       PRO  32   8.087   5.642 -11.974
  244    HB2  PRO  32           HB2      PRO  32   6.838   8.270 -11.311
  245    HB3  PRO  32           HB3      PRO  32   7.336   7.654 -12.886
  246    HG2  PRO  32           HG3      PRO  32   4.767   7.655 -12.187
  247    HG3  PRO  32           HG2      PRO  32   5.479   6.283 -13.086
  248    HD2  PRO  32           HD3      PRO  32   4.815   6.503 -10.191
  249    HD3  PRO  32           HD2      PRO  32   4.620   5.106 -11.271
  250    H    SER  33           H        SER  33   9.873   6.305 -11.569
  251    HA   SER  33           HA       SER  33  11.124   6.535  -9.013
  252    HB2  SER  33           HB3      SER  33  12.456   6.006 -11.060
  253    HB3  SER  33           HB2      SER  33  12.296   7.672 -11.586
  254    HG   SER  33           HG       SER  33  13.495   8.280  -9.673
  255    H    GLU  34           H        GLU  34  10.457   9.000 -11.257
  256    HA   GLU  34           HA       GLU  34  10.852  11.530 -10.293
  257    HB2  GLU  34           HB3      GLU  34   9.553  10.785 -12.346
  258    HB3  GLU  34           HB2      GLU  34   8.184  10.596 -11.295
  259    HG2  GLU  34           HG3      GLU  34   7.841  12.670 -12.320
  260    HG3  GLU  34           HG2      GLU  34   8.518  13.006 -10.715
  261    H    LYS  35           H        LYS  35   8.194   9.717  -9.775
  262    HA   LYS  35           HA       LYS  35   6.975  11.292  -7.789
  263    HB2  LYS  35           HB3      LYS  35   6.037   8.634  -8.894
  264    HB3  LYS  35           HB2      LYS  35   5.064   9.786  -7.979
  265    HG2  LYS  35           HG3      LYS  35   6.474  10.578 -10.467
  266    HG3  LYS  35           HG2      LYS  35   4.794   9.995 -10.479
  267    HD2  LYS  35           HD3      LYS  35   4.139  11.681  -9.033
  268    HD3  LYS  35           HD2      LYS  35   5.774  12.216  -8.696
  269    HE2  LYS  35           HE3      LYS  35   4.657  13.794 -10.274
  270    HE3  LYS  35           HE2      LYS  35   6.035  13.034 -11.009
  271    HZ1  LYS  35           HZ1      LYS  35   3.361  13.069 -11.853
  272    HZ2  LYS  35           HZ2      LYS  35   3.857  11.437 -11.685
  273    HZ3  LYS  35           HZ3      LYS  35   4.732  12.517 -12.635
  274    H    SER  36           H        SER  36   8.144   7.962  -7.567
  275    HA   SER  36           HA       SER  36   7.659   7.321  -4.978
  276    HB2  SER  36           HB3      SER  36   8.524   5.907  -6.704
  277    HB3  SER  36           HB2      SER  36  10.099   6.739  -6.673
  278    HG   SER  36           HG       SER  36  10.641   5.536  -5.107
  279    H    GLU  37           H        GLU  37   9.937   9.237  -6.147
  280    HA   GLU  37           HA       GLU  37  11.544   9.737  -3.779
  281    HB2  GLU  37           HB3      GLU  37  11.580  11.437  -6.279
  282    HB3  GLU  37           HB2      GLU  37  12.626  11.714  -4.879
  283    HG2  GLU  37           HG3      GLU  37  13.528   9.431  -5.110
  284    HG3  GLU  37           HG2      GLU  37  12.499   9.205  -6.516
  285    H    GLU  38           H        GLU  38   9.046  11.405  -5.075
  286    HA   GLU  38           HA       GLU  38   8.917  13.379  -2.925
  287    HB2  GLU  38           HB3      GLU  38   6.809  14.332  -3.708
  288    HB3  GLU  38           HB2      GLU  38   8.009  14.218  -4.975
  289    HG2  GLU  38           HG3      GLU  38   6.843  12.313  -5.903
  290    HG3  GLU  38           HG2      GLU  38   5.690  12.354  -4.589
  291    H    ILE  39           H        ILE  39   7.787  10.319  -3.071
  292    HA   ILE  39           HA       ILE  39   5.515  10.542  -1.369
  293    HB   ILE  39           HB       ILE  39   7.048   8.081  -2.227
  294   HG12  ILE  39          HG13      ILE  39   4.467   9.212  -3.276
  295   HG13  ILE  39          HG12      ILE  39   6.030   9.455  -4.078
  296   HG21  ILE  39          HG21      ILE  39   5.631   6.882  -1.041
  297   HG22  ILE  39          HG22      ILE  39   4.246   7.803  -1.677
  298   HG23  ILE  39          HG23      ILE  39   5.132   8.374  -0.252
  299   HD11  ILE  39          HD11      ILE  39   4.202   7.516  -4.503
  300   HD12  ILE  39          HD12      ILE  39   5.391   6.705  -3.467
  301   HD13  ILE  39          HD13      ILE  39   5.904   7.485  -4.983
  302    H    THR  40           H        THR  40   7.056  11.746   0.200
  303    HA   THR  40           HA       THR  40   8.515  10.015   2.006
  304    HB   THR  40           HB       THR  40   9.512  12.069   1.506
  305    HG1  THR  40           HG1      THR  40   8.634  11.772   4.092
  306   HG21  THR  40          HG21      THR  40   6.856  13.014   1.545
  307   HG22  THR  40          HG22      THR  40   8.280  13.748   0.848
  308   HG23  THR  40          HG23      THR  40   7.858  14.102   2.539
  309    H    THR  41           H        THR  41   5.601   9.618   1.877
  310    HA   THR  41           HA       THR  41   5.256   9.080   4.531
  311    HB   THR  41           HB       THR  41   4.513  11.219   4.908
  312    HG1  THR  41           HG1      THR  41   3.002  10.526   6.147
  313   HG21  THR  41          HG21      THR  41   3.439  12.544   3.467
  314   HG22  THR  41          HG22      THR  41   2.036  11.473   3.510
  315   HG23  THR  41          HG23      THR  41   3.334  11.175   2.363
  316    H    GLY  42           H        GLY  42   3.516   7.704   5.028
  317    HA2  GLY  42           HA3      GLY  42   3.284   5.785   2.937
  318    HA3  GLY  42           HA2      GLY  42   2.361   5.725   4.455
  319    H    SER  43           H        SER  43   0.626   7.919   4.375
  320    HA   SER  43           HA       SER  43  -1.295   7.340   2.748
  321    HB2  SER  43           HB3      SER  43  -0.387   9.983   3.869
  322    HB3  SER  43           HB2      SER  43  -2.053   9.572   3.399
  323    HG   SER  43           HG       SER  43  -2.119   8.094   5.023
  324    H    ALA  44           H        ALA  44   1.285   9.449   2.262
  325    HA   ALA  44           HA       ALA  44   0.603  10.899  -0.106
  326    HB1  ALA  44           HB1      ALA  44   2.893  11.381  -0.603
  327    HB2  ALA  44           HB2      ALA  44   3.434   9.910   0.230
  328    HB3  ALA  44           HB3      ALA  44   2.794  11.258   1.157
  329    H    TRP  45           H        TRP  45   2.293   7.825   0.115
  330    HA   TRP  45           HA       TRP  45   2.384   7.312  -2.638
  331    HB2  TRP  45           HB3      TRP  45   3.736   6.125  -0.830
  332    HB3  TRP  45           HB2      TRP  45   2.257   5.327  -0.390
  333    HD1  TRP  45           HD1      TRP  45   3.785   5.786  -3.966
  334    HE1  TRP  45           HE1      TRP  45   3.777   3.438  -5.011
  335    HE3  TRP  45           HE3      TRP  45   2.083   3.079  -0.005
  336    HZ2  TRP  45           HZ2      TRP  45   3.250   0.885  -4.296
  337    HZ3  TRP  45           HZ3      TRP  45   1.873   0.690  -0.268
  338    HH2  TRP  45           HH2      TRP  45   2.487  -0.373  -2.452
  339    H    PHE  46           H        PHE  46  -0.101   6.392  -0.209
  340    HA   PHE  46           HA       PHE  46  -1.433   4.849  -2.083
  341    HB2  PHE  46           HB3      PHE  46  -2.393   6.313   0.357
  342    HB3  PHE  46           HB2      PHE  46  -3.405   5.225  -0.587
  343    HD1  PHE  46           HD1      PHE  46  -2.184   2.973  -1.099
  344    HD2  PHE  46           HD2      PHE  46  -1.483   5.419   2.346
  345    HE1  PHE  46           HE1      PHE  46  -1.535   1.002   0.150
  346    HE2  PHE  46           HE2      PHE  46  -0.859   3.407   3.617
  347    HZ   PHE  46           HZ       PHE  46  -0.872   1.172   2.430
  348    H    SER  47           H        SER  47  -1.845   7.908  -0.972
  349    HA   SER  47           HA       SER  47  -3.907   8.834  -2.709
  350    HB2  SER  47           HB3      SER  47  -1.906  10.597  -1.329
  351    HB3  SER  47           HB2      SER  47  -3.373  11.171  -2.126
  352    HG   SER  47           HG       SER  47  -4.388   9.427  -0.673
  353    H    PHE  48           H        PHE  48  -0.526   8.784  -3.394
  354    HA   PHE  48           HA       PHE  48  -0.733  10.245  -5.843
  355    HB2  PHE  48           HB3      PHE  48   1.453   9.949  -4.842
  356    HB3  PHE  48           HB2      PHE  48   1.250   8.195  -4.830
  357    HD1  PHE  48           HD1      PHE  48   1.263  11.057  -7.262
  358    HD2  PHE  48           HD2      PHE  48   2.047   6.994  -6.428
  359    HE1  PHE  48           HE1      PHE  48   2.110  10.787  -9.518
  360    HE2  PHE  48           HE2      PHE  48   2.941   6.697  -8.697
  361    HZ   PHE  48           HZ       PHE  48   2.982   8.599 -10.257
  362    H    LEU  49           H        LEU  49  -0.452   6.755  -4.870
  363    HA   LEU  49           HA       LEU  49  -0.717   5.528  -7.207
  364    HB2  LEU  49           HB3      LEU  49  -0.158   4.966  -4.824
  365    HB3  LEU  49           HB2      LEU  49  -1.891   4.661  -4.607
  366    HG   LEU  49           HG       LEU  49  -1.595   2.622  -6.209
  367   HD11  LEU  49          HD11      LEU  49   0.732   2.164  -6.823
  368   HD12  LEU  49          HD12      LEU  49   1.168   3.765  -6.235
  369   HD13  LEU  49          HD13      LEU  49   0.079   3.606  -7.606
  370   HD21  LEU  49          HD21      LEU  49   0.451   1.764  -4.703
  371   HD22  LEU  49          HD22      LEU  49  -1.225   1.750  -4.178
  372   HD23  LEU  49          HD23      LEU  49  -0.154   3.061  -3.682
  373    H    GLU  50           H        GLU  50  -3.175   6.097  -4.901
  374    HA   GLU  50           HA       GLU  50  -5.702   5.523  -5.979
  375    HB2  GLU  50           HB3      GLU  50  -5.252   8.239  -4.718
  376    HB3  GLU  50           HB2      GLU  50  -6.831   7.545  -5.023
  377    HG2  GLU  50           HG3      GLU  50  -6.395   5.902  -3.284
  378    HG3  GLU  50           HG2      GLU  50  -4.791   6.606  -3.022
  379    H    SER  51           H        SER  51  -4.136   8.179  -6.293
  380    HA   SER  51           HA       SER  51  -5.686   9.772  -8.157
  381    HB2  SER  51           HB3      SER  51  -2.702  10.197  -7.785
  382    HB3  SER  51           HB2      SER  51  -3.762  11.292  -8.693
  383    HG   SER  51           HG       SER  51  -3.796  10.642  -5.939
  384    H    HIS  52           H        HIS  52  -3.217   7.426  -8.716
  385    HA   HIS  52           HA       HIS  52  -3.809   7.590 -11.575
  386    HB2  HIS  52           HB3      HIS  52  -1.403   6.369 -10.237
  387    HB3  HIS  52           HB2      HIS  52  -1.691   6.162 -11.992
  388    HD1  HIS  52           HD1      HIS  52   0.542   7.490 -12.610
  389    HD2  HIS  52           HD2      HIS  52  -1.952   9.278  -9.891
  390    HE1  HIS  52           HE1      HIS  52   1.501   9.770 -12.333
  391    H    ASN  53           H        ASN  53  -3.624   5.261 -12.580
  392    HA   ASN  53           HA       ASN  53  -5.679   3.910 -11.104
  393    HB2  ASN  53           HB3      ASN  53  -4.670   3.436 -13.898
  394    HB3  ASN  53           HB2      ASN  53  -6.004   2.548 -13.168
  395   HD21  ASN  53          HD22      ASN  53  -5.422   4.910 -15.294
  396   HD22  ASN  53          HD21      ASN  53  -6.799   5.910 -15.031
  397    H    LYS  54           H        LYS  54  -3.269   3.592  -9.768
  398    HA   LYS  54           HA       LYS  54  -2.864   0.758 -10.235
  399    HB2  LYS  54           HB3      LYS  54  -0.894   2.595  -8.843
  400    HB3  LYS  54           HB2      LYS  54  -0.685   0.858  -8.954
  401    HG2  LYS  54           HG3      LYS  54  -0.613   2.851 -11.219
  402    HG3  LYS  54           HG2      LYS  54   0.667   1.807 -10.554
  403    HD2  LYS  54           HD3      LYS  54  -1.824   0.815 -11.802
  404    HD3  LYS  54           HD2      LYS  54  -0.313   0.972 -12.721
  405    HE2  LYS  54           HE3      LYS  54   0.747  -0.588 -11.062
  406    HE3  LYS  54           HE2      LYS  54  -0.819  -0.797 -10.304
  407    HZ1  LYS  54           HZ1      LYS  54  -1.625  -1.783 -12.445
  408    HZ2  LYS  54           HZ2      LYS  54  -0.306  -2.611 -11.764
  409    HZ3  LYS  54           HZ3      LYS  54  -0.047  -1.586 -13.052
  410    H    LEU  55           H        LEU  55  -4.724   2.623  -8.402
  411    HA   LEU  55           HA       LEU  55  -5.252   0.489  -6.674
  412    HB2  LEU  55           HB3      LEU  55  -3.257   1.208  -5.469
  413    HB3  LEU  55           HB2      LEU  55  -3.856   2.852  -5.403
  414    HG   LEU  55           HG       LEU  55  -5.260   0.601  -3.925
  415   HD11  LEU  55          HD11      LEU  55  -2.768   2.079  -3.230
  416   HD12  LEU  55          HD12      LEU  55  -3.313   0.458  -2.754
  417   HD13  LEU  55          HD13      LEU  55  -3.954   1.866  -1.932
  418   HD21  LEU  55          HD21      LEU  55  -6.622   2.206  -3.219
  419   HD22  LEU  55          HD22      LEU  55  -5.766   3.346  -4.248
  420   HD23  LEU  55          HD23      LEU  55  -5.248   3.120  -2.572
  421    H    ASP  56           H        ASP  56  -7.215   0.531  -7.037
  422    HA   ASP  56           HA       ASP  56  -8.954   2.851  -6.675
  423    HB2  ASP  56           HB3      ASP  56  -9.759  -0.067  -6.941
  424    HB3  ASP  56           HB2      ASP  56 -10.865   1.269  -6.776
  425    H    LYS  57           H        LYS  57 -10.812   2.421  -5.397
  426    HA   LYS  57           HA       LYS  57 -10.183   2.270  -2.647
  427    HB2  LYS  57           HB3      LYS  57 -12.674   2.280  -2.359
  428    HB3  LYS  57           HB2      LYS  57 -12.004   3.667  -3.198
  429    HG2  LYS  57           HG3      LYS  57 -14.037   2.989  -4.352
  430    HG3  LYS  57           HG2      LYS  57 -12.605   2.639  -5.331
  431    HD2  LYS  57           HD3      LYS  57 -12.630   0.376  -4.614
  432    HD3  LYS  57           HD2      LYS  57 -14.089   0.633  -3.648
  433    HE2  LYS  57           HE3      LYS  57 -13.897   0.837  -6.698
  434    HE3  LYS  57           HE2      LYS  57 -14.606  -0.516  -5.823
  435    HZ1  LYS  57           HZ1      LYS  57 -16.003   1.409  -6.887
  436    HZ2  LYS  57           HZ2      LYS  57 -15.812   2.145  -5.376
  437    HZ3  LYS  57           HZ3      LYS  57 -16.515   0.594  -5.567
  438    H    ASP  58           H        ASP  58 -10.805  -0.032  -5.028
  439    HA   ASP  58           HA       ASP  58 -11.822  -2.211  -3.356
  440    HB2  ASP  58           HB3      ASP  58 -12.916  -1.466  -5.411
  441    HB3  ASP  58           HB2      ASP  58 -11.436  -1.707  -6.298
  442    H    ASN  59           H        ASN  59  -9.497  -1.326  -5.623
  443    HA   ASN  59           HA       ASN  59  -8.112  -3.845  -5.534
  444    HB2  ASN  59           HB3      ASN  59  -7.641  -1.374  -7.146
  445    HB3  ASN  59           HB2      ASN  59  -6.689  -2.845  -7.329
  446   HD21  ASN  59          HD22      ASN  59  -9.427  -1.214  -8.276
  447   HD22  ASN  59          HD21      ASN  59 -10.221  -2.522  -9.065
  448    H    LEU  60           H        LEU  60  -6.622  -4.408  -4.655
  449    HA   LEU  60           HA       LEU  60  -4.719  -2.645  -3.307
  450    HB2  LEU  60           HB3      LEU  60  -4.730  -4.209  -1.348
  451    HB3  LEU  60           HB2      LEU  60  -6.171  -3.266  -1.582
  452    HG   LEU  60           HG       LEU  60  -7.282  -5.313  -2.545
  453   HD11  LEU  60          HD11      LEU  60  -5.320  -6.432  -3.279
  454   HD12  LEU  60          HD12      LEU  60  -6.284  -7.479  -2.223
  455   HD13  LEU  60          HD13      LEU  60  -4.797  -6.715  -1.626
  456   HD21  LEU  60          HD21      LEU  60  -6.598  -4.706   0.127
  457   HD22  LEU  60          HD22      LEU  60  -6.667  -6.460  -0.057
  458   HD23  LEU  60          HD23      LEU  60  -8.064  -5.468  -0.505
  459    H    SER  61           H        SER  61  -5.128  -5.389  -5.063
  460    HA   SER  61           HA       SER  61  -3.059  -7.069  -4.635
  461    HB2  SER  61           HB3      SER  61  -3.928  -6.273  -7.416
  462    HB3  SER  61           HB2      SER  61  -3.154  -7.805  -6.969
  463    HG   SER  61           HG       SER  61  -5.016  -8.519  -6.337
  464    H    TYR  62           H        TYR  62  -2.798  -4.165  -6.290
  465    HA   TYR  62           HA       TYR  62  -0.117  -4.208  -7.238
  466    HB2  TYR  62           HB3      TYR  62  -1.618  -2.342  -7.811
  467    HB3  TYR  62           HB2      TYR  62  -1.657  -1.828  -6.130
  468    HD1  TYR  62           HD1      TYR  62   0.560  -2.170  -9.082
  469    HD2  TYR  62           HD2      TYR  62   0.076  -0.389  -5.257
  470    HE1  TYR  62           HE1      TYR  62   2.593  -0.869  -9.373
  471    HE2  TYR  62           HE2      TYR  62   2.151   0.749  -5.498
  472    HH   TYR  62           HH       TYR  62   4.311   0.179  -7.985
  473    H    ILE  63           H        ILE  63  -1.501  -3.037  -4.218
  474    HA   ILE  63           HA       ILE  63   1.022  -2.388  -3.025
  475    HB   ILE  63           HB       ILE  63  -0.125  -1.388  -1.275
  476   HG12  ILE  63          HG13      ILE  63  -2.681  -2.773  -2.085
  477   HG13  ILE  63          HG12      ILE  63  -1.671  -3.342  -0.760
  478   HG21  ILE  63          HG21      ILE  63  -2.111  -1.105  -3.365
  479   HG22  ILE  63          HG22      ILE  63  -0.425  -0.662  -3.643
  480   HG23  ILE  63          HG23      ILE  63  -1.326   0.136  -2.353
  481   HD11  ILE  63          HD11      ILE  63  -3.564  -1.170  -0.802
  482   HD12  ILE  63          HD12      ILE  63  -1.917  -0.691  -0.324
  483   HD13  ILE  63          HD13      ILE  63  -2.734  -1.989   0.564
  484    H    GLU  64           H        GLU  64  -1.053  -4.991  -3.033
  485    HA   GLU  64           HA       GLU  64  -0.351  -6.201  -0.499
  486    HB2  GLU  64           HB3      GLU  64  -2.462  -6.831  -1.635
  487    HB3  GLU  64           HB2      GLU  64  -1.566  -7.466  -2.985
  488    HG2  GLU  64           HG3      GLU  64  -1.362  -8.642  -0.215
  489    HG3  GLU  64           HG2      GLU  64  -2.602  -9.122  -1.364
  490    H    HIS  65           H        HIS  65   0.666  -6.883  -3.824
  491    HA   HIS  65           HA       HIS  65   2.923  -8.459  -3.312
  492    HB2  HIS  65           HB3      HIS  65   1.868  -7.881  -5.486
  493    HB3  HIS  65           HB2      HIS  65   2.389  -6.225  -5.258
  494    HD1  HIS  65           HD1      HIS  65   4.060  -9.669  -5.504
  495    HD2  HIS  65           HD2      HIS  65   4.582  -5.666  -6.453
  496    HE1  HIS  65           HE1      HIS  65   6.160  -9.624  -6.862
  497    H    ILE  66           H        ILE  66   2.921  -5.036  -3.693
  498    HA   ILE  66           HA       ILE  66   5.410  -4.544  -3.140
  499    HB   ILE  66           HB       ILE  66   3.202  -2.963  -1.913
  500   HG12  ILE  66          HG13      ILE  66   3.004  -3.409  -4.142
  501   HG13  ILE  66          HG12      ILE  66   3.181  -1.627  -4.043
  502   HG21  ILE  66          HG21      ILE  66   5.190  -2.161  -0.831
  503   HG22  ILE  66          HG22      ILE  66   4.877  -0.972  -2.071
  504   HG23  ILE  66          HG23      ILE  66   6.113  -2.191  -2.325
  505   HD11  ILE  66          HD11      ILE  66   5.654  -3.078  -4.513
  506   HD12  ILE  66          HD12      ILE  66   4.848  -1.810  -5.482
  507   HD13  ILE  66          HD13      ILE  66   4.382  -3.512  -5.669
  508    H    PHE  67           H        PHE  67   2.928  -4.927  -0.455
  509    HA   PHE  67           HA       PHE  67   4.839  -4.657   1.409
  510    HB2  PHE  67           HB3      PHE  67   2.105  -5.912   1.597
  511    HB3  PHE  67           HB2      PHE  67   3.120  -5.488   2.974
  512    HD1  PHE  67           HD2      PHE  67   4.031  -3.033   2.882
  513    HD2  PHE  67           HD1      PHE  67   0.575  -4.464   0.977
  514    HE1  PHE  67           HE2      PHE  67   3.220  -0.710   2.679
  515    HE2  PHE  67           HE1      PHE  67  -0.276  -2.157   0.742
  516    HZ   PHE  67           HZ       PHE  67   1.059  -0.277   1.605
  517    H    GLU  68           H        GLU  68   3.989  -7.511  -0.579
  518    HA   GLU  68           HA       GLU  68   4.947  -9.435   1.304
  519    HB2  GLU  68           HB3      GLU  68   3.460  -9.980  -0.599
  520    HB3  GLU  68           HB2      GLU  68   4.723  -9.482  -1.719
  521    HG2  GLU  68           HG3      GLU  68   6.194 -11.239  -0.710
  522    HG3  GLU  68           HG2      GLU  68   4.802 -11.805   0.187
  523    H    ILE  69           H        ILE  69   6.134  -7.979  -1.673
  524    HA   ILE  69           HA       ILE  69   8.568  -9.114  -1.592
  525    HB   ILE  69           HB       ILE  69   9.314  -7.573  -3.285
  526   HG12  ILE  69          HG13      ILE  69   6.606  -6.290  -2.897
  527   HG13  ILE  69          HG12      ILE  69   8.167  -5.516  -2.619
  528   HG21  ILE  69          HG21      ILE  69   7.099  -9.379  -3.281
  529   HG22  ILE  69          HG22      ILE  69   8.346  -9.131  -4.510
  530   HG23  ILE  69          HG23      ILE  69   6.888  -8.125  -4.517
  531   HD11  ILE  69          HD11      ILE  69   8.262  -4.917  -4.712
  532   HD12  ILE  69          HD12      ILE  69   6.657  -5.682  -4.950
  533   HD13  ILE  69          HD13      ILE  69   8.132  -6.649  -5.143
  534    H    SER  70           H        SER  70   7.674  -6.123  -0.216
  535    HA   SER  70           HA       SER  70  10.367  -5.427   0.525
  536    HB2  SER  70           HB3      SER  70   7.747  -4.270   1.431
  537    HB3  SER  70           HB2      SER  70   9.353  -3.544   1.583
  538    HG   SER  70           HG       SER  70   7.846  -4.014  -0.712
  539    H    ARG  71           H        ARG  71  11.086  -5.474   2.702
  540    HA   ARG  71           HA       ARG  71   9.989  -7.615   4.151
  541    HB2  ARG  71           HB3      ARG  71  12.471  -5.980   4.706
  542    HB3  ARG  71           HB2      ARG  71  11.903  -7.289   5.748
  543    HG2  ARG  71           HG3      ARG  71  12.490  -7.583   2.832
  544    HG3  ARG  71           HG2      ARG  71  13.620  -8.049   4.137
  545    HD2  ARG  71           HD3      ARG  71  10.831  -9.132   3.689
  546    HD3  ARG  71           HD2      ARG  71  12.307  -9.981   3.264
  547    HE   ARG  71           HE       ARG  71  11.095  -9.754   5.848
  548   HH11  ARG  71          HH11      ARG  71  14.073 -10.695   4.196
  549   HH12  ARG  71          HH12      ARG  71  14.957 -10.924   5.657
  550   HH21  ARG  71          HH22      ARG  71  12.317 -10.104   7.825
  551   HH22  ARG  71          HH21      ARG  71  13.957 -10.621   7.721
  552    H    ARG  72           H        ARG  72   8.062  -6.381   4.235
  553    HA   ARG  72           HA       ARG  72   7.584  -5.558   6.916
  554    HB2  ARG  72           HB3      ARG  72   7.242  -3.633   4.690
  555    HB3  ARG  72           HB2      ARG  72   5.927  -3.693   5.842
  556    HG2  ARG  72           HG3      ARG  72   8.829  -3.179   6.482
  557    HG3  ARG  72           HG2      ARG  72   7.489  -1.992   6.512
  558    HD2  ARG  72           HD3      ARG  72   6.289  -3.511   8.083
  559    HD3  ARG  72           HD2      ARG  72   7.756  -4.474   8.176
  560    HE   ARG  72           HE       ARG  72   8.159  -1.760   8.881
  561   HH11  ARG  72          HH11      ARG  72   7.139  -4.930   9.998
  562   HH12  ARG  72          HH12      ARG  72   6.871  -4.528  11.604
  563   HH21  ARG  72          HH22      ARG  72   7.915  -1.134  11.134
  564   HH22  ARG  72          HH21      ARG  72   7.383  -2.264  12.297
  565    HA   PRO  73           HA       PRO  73   4.586  -8.647   5.308
  566    HB2  PRO  73           HB2      PRO  73   5.371  -9.934   7.854
  567    HB3  PRO  73           HB3      PRO  73   5.211 -10.633   6.235
  568    HG2  PRO  73           HG3      PRO  73   7.595 -10.191   7.290
  569    HG3  PRO  73           HG2      PRO  73   7.307  -9.908   5.561
  570    HD2  PRO  73           HD3      PRO  73   7.419  -7.943   7.822
  571    HD3  PRO  73           HD2      PRO  73   8.143  -7.857   6.212
  572    H    ASP  74           H        ASP  74   4.996  -6.823   8.150
  573    HA   ASP  74           HA       ASP  74   2.632  -7.640   9.643
  574    HB2  ASP  74           HB3      ASP  74   3.962  -4.898   9.792
  575    HB3  ASP  74           HB2      ASP  74   2.844  -5.572  10.964
  576    H    LEU  75           H        LEU  75   3.456  -5.195   7.595
  577    HA   LEU  75           HA       LEU  75   0.937  -3.858   7.355
  578    HB2  LEU  75           HB3      LEU  75   3.270  -3.849   5.439
  579    HB3  LEU  75           HB2      LEU  75   1.847  -2.882   5.222
  580    HG   LEU  75           HG       LEU  75   2.362  -1.554   7.210
  581   HD11  LEU  75          HD11      LEU  75   4.855  -1.974   8.038
  582   HD12  LEU  75          HD12      LEU  75   4.398  -3.645   7.674
  583   HD13  LEU  75          HD13      LEU  75   3.451  -2.696   8.827
  584   HD21  LEU  75          HD21      LEU  75   4.609  -1.976   5.317
  585   HD22  LEU  75          HD22      LEU  75   4.472  -0.597   6.404
  586   HD23  LEU  75          HD23      LEU  75   3.254  -0.863   5.154
  587    H    LEU  76           H        LEU  76   2.539  -6.023   5.348
  588    HA   LEU  76           HA       LEU  76   0.611  -6.642   3.326
  589    HB2  LEU  76           HB3      LEU  76   2.820  -7.917   3.466
  590    HB3  LEU  76           HB2      LEU  76   2.019  -8.889   4.715
  591    HG   LEU  76           HG       LEU  76   0.207  -9.221   3.037
  592   HD11  LEU  76          HD11      LEU  76   1.272  -7.562   1.503
  593   HD12  LEU  76          HD12      LEU  76   0.182  -8.860   1.042
  594   HD13  LEU  76          HD13      LEU  76   1.920  -9.042   0.793
  595   HD21  LEU  76          HD21      LEU  76   2.626 -10.698   3.490
  596   HD22  LEU  76          HD22      LEU  76   1.986 -10.991   1.858
  597   HD23  LEU  76          HD23      LEU  76   0.966 -11.246   3.282
  598    H    THR  77           H        THR  77   1.044  -8.281   6.275
  599    HA   THR  77           HA       THR  77  -1.138  -9.901   6.561
  600    HB   THR  77           HB       THR  77   0.263  -8.289   8.608
  601    HG1  THR  77           HG1      THR  77   1.353 -10.259   8.972
  602   HG21  THR  77          HG21      THR  77  -0.685 -10.284  10.062
  603   HG22  THR  77          HG22      THR  77  -1.922 -10.183   8.778
  604   HG23  THR  77          HG23      THR  77  -1.512  -8.725   9.728
  605    H    MET  78           H        MET  78  -0.936  -6.549   7.442
  606    HA   MET  78           HA       MET  78  -3.536  -6.219   8.407
  607    HB2  MET  78           HB3      MET  78  -1.743  -4.173   7.101
  608    HB3  MET  78           HB2      MET  78  -3.238  -3.787   7.941
  609    HG2  MET  78           HG3      MET  78  -0.997  -5.292   9.175
  610    HG3  MET  78           HG2      MET  78  -1.139  -3.514   9.330
  611    HE1  MET  78           HE1      MET  78  -1.435  -3.586  12.273
  612    HE2  MET  78           HE2      MET  78  -0.537  -4.929  11.575
  613    HE3  MET  78           HE3      MET  78  -1.788  -5.234  12.781
  614    H    VAL  79           H        VAL  79  -2.233  -6.045   5.142
  615    HA   VAL  79           HA       VAL  79  -4.653  -5.166   3.856
  616    HB   VAL  79           HB       VAL  79  -2.270  -6.638   2.698
  617   HG11  VAL  79          HG11      VAL  79  -3.023  -5.127   0.674
  618   HG12  VAL  79          HG12      VAL  79  -4.587  -5.266   1.463
  619   HG13  VAL  79          HG13      VAL  79  -3.732  -6.724   0.970
  620   HG21  VAL  79          HG21      VAL  79  -1.697  -4.595   3.949
  621   HG22  VAL  79          HG22      VAL  79  -2.641  -3.657   2.793
  622   HG23  VAL  79          HG23      VAL  79  -1.219  -4.566   2.251
  623    H    VAL  80           H        VAL  80  -2.955  -8.260   4.102
  624    HA   VAL  80           HA       VAL  80  -4.819  -9.986   2.826
  625    HB   VAL  80           HB       VAL  80  -2.915 -10.545   5.164
  626   HG11  VAL  80          HG11      VAL  80  -3.180 -12.768   4.903
  627   HG12  VAL  80          HG12      VAL  80  -3.732 -12.649   3.215
  628   HG13  VAL  80          HG13      VAL  80  -4.811 -12.193   4.546
  629   HG21  VAL  80          HG21      VAL  80  -1.287 -10.161   3.717
  630   HG22  VAL  80          HG22      VAL  80  -2.409 -10.006   2.371
  631   HG23  VAL  80          HG23      VAL  80  -1.785 -11.587   2.835
  632    H    ASP  81           H        ASP  81  -4.444  -9.427   6.064
  633    HA   ASP  81           HA       ASP  81  -6.755 -10.707   6.965
  634    HB2  ASP  81           HB3      ASP  81  -5.176 -10.210   8.731
  635    HB3  ASP  81           HB2      ASP  81  -5.456  -8.482   8.572
  636    H    TYR  82           H        TYR  82  -6.371  -7.448   6.114
  637    HA   TYR  82           HA       TYR  82  -8.921  -6.284   6.552
  638    HB2  TYR  82           HB3      TYR  82  -7.236  -4.881   5.855
  639    HB3  TYR  82           HB2      TYR  82  -6.884  -5.847   4.397
  640    HD1  TYR  82           HD2      TYR  82  -9.606  -4.017   6.035
  641    HD2  TYR  82           HD1      TYR  82  -7.694  -5.163   2.487
  642    HE1  TYR  82           HE2      TYR  82 -11.178  -2.598   4.719
  643    HE2  TYR  82           HE1      TYR  82  -9.234  -3.833   1.154
  644    HH   TYR  82           HH       TYR  82 -11.152  -2.747   1.217
  645    H    ARG  83           H        ARG  83  -7.615  -7.885   3.686
  646    HA   ARG  83           HA       ARG  83  -9.771  -7.716   2.034
  647    HB2  ARG  83           HB3      ARG  83  -7.656  -8.216   1.168
  648    HB3  ARG  83           HB2      ARG  83  -7.340  -9.442   2.353
  649    HG2  ARG  83           HG3      ARG  83  -9.309  -9.788   0.157
  650    HG3  ARG  83           HG2      ARG  83  -7.572 -10.141  -0.073
  651    HD2  ARG  83           HD3      ARG  83  -7.725 -11.649   1.826
  652    HD3  ARG  83           HD2      ARG  83  -9.459 -11.371   1.934
  653    HE   ARG  83           HE       ARG  83  -8.679 -12.291  -0.661
  654   HH11  ARG  83          HH11      ARG  83  -9.312 -13.417   2.635
  655   HH12  ARG  83          HH12      ARG  83  -9.747 -14.978   2.181
  656   HH21  ARG  83          HH22      ARG  83  -9.115 -14.437  -1.301
  657   HH22  ARG  83          HH21      ARG  83  -9.530 -15.617  -0.148
  658    H    THR  84           H        THR  84  -8.903 -10.073   4.039
  659    HA   THR  84           HA       THR  84 -11.093 -11.909   3.805
  660    HB   THR  84           HB       THR  84  -9.293 -11.441   6.114
  661    HG1  THR  84           HG1      THR  84  -7.912 -12.101   4.650
  662   HG21  THR  84          HG21      THR  84  -9.723 -13.859   6.509
  663   HG22  THR  84          HG22      THR  84 -11.067 -13.657   5.343
  664   HG23  THR  84          HG23      THR  84 -11.024 -12.664   6.827
  665    H    ARG  85           H        ARG  85 -10.393 -10.054   6.362
  666    HA   ARG  85           HA       ARG  85 -12.641 -10.191   7.809
  667    HB2  ARG  85           HB3      ARG  85 -12.074  -8.306   9.328
  668    HB3  ARG  85           HB2      ARG  85 -10.738  -9.391   9.008
  669    HG2  ARG  85           HG3      ARG  85  -9.656  -7.343   8.975
  670    HG3  ARG  85           HG2      ARG  85 -10.050  -7.472   7.292
  671    HD2  ARG  85           HD3      ARG  85 -11.924  -6.127   7.566
  672    HD3  ARG  85           HD2      ARG  85 -11.606  -5.965   9.306
  673    HE   ARG  85           HE       ARG  85 -10.574  -4.276   7.420
  674   HH11  ARG  85          HH11      ARG  85  -8.638  -6.574   9.505
  675   HH12  ARG  85          HH12      ARG  85  -7.457  -5.425   9.866
  676   HH21  ARG  85          HH22      ARG  85  -8.783  -2.692   8.009
  677   HH22  ARG  85          HH21      ARG  85  -7.531  -3.151   8.984
  678    H    VAL  86           H        VAL  86 -12.092  -7.704   5.829
  679    HA   VAL  86           HA       VAL  86 -14.676  -6.558   5.949
  680    HB   VAL  86           HB       VAL  86 -12.661  -6.329   3.740
  681   HG11  VAL  86          HG11      VAL  86 -15.356  -5.728   3.410
  682   HG12  VAL  86          HG12      VAL  86 -14.054  -4.895   2.552
  683   HG13  VAL  86          HG13      VAL  86 -14.716  -4.207   4.032
  684   HG21  VAL  86          HG21      VAL  86 -13.130  -5.169   6.314
  685   HG22  VAL  86          HG22      VAL  86 -13.039  -3.931   5.065
  686   HG23  VAL  86          HG23      VAL  86 -11.709  -5.070   5.267
  687    H    LEU  87           H        LEU  87 -13.520  -9.150   4.027
  688    HA   LEU  87           HA       LEU  87 -15.858  -9.593   2.415
  689    HB2  LEU  87           HB3      LEU  87 -13.810 -11.531   3.456
  690    HB3  LEU  87           HB2      LEU  87 -15.126 -12.046   2.409
  691    HG   LEU  87           HG       LEU  87 -12.872 -10.153   1.749
  692   HD11  LEU  87          HD11      LEU  87 -12.170 -11.945   0.218
  693   HD12  LEU  87          HD12      LEU  87 -13.481 -12.959   0.830
  694   HD13  LEU  87          HD13      LEU  87 -12.176 -12.466   1.907
  695   HD21  LEU  87          HD21      LEU  87 -15.053 -11.189  -0.068
  696   HD22  LEU  87          HD22      LEU  87 -13.730 -10.112  -0.518
  697   HD23  LEU  87          HD23      LEU  87 -14.980  -9.555   0.586
  698    H    LYS  88           H        LYS  88 -14.864 -10.805   5.492
  699    HA   LYS  88           HA       LYS  88 -17.130 -12.357   6.060
  700    HB2  LYS  88           HB3      LYS  88 -15.252 -11.106   7.987
  701    HB3  LYS  88           HB2      LYS  88 -16.445 -12.352   8.378
  702    HG2  LYS  88           HG3      LYS  88 -15.363 -13.721   6.562
  703    HG3  LYS  88           HG2      LYS  88 -14.043 -12.533   6.622
  704    HD2  LYS  88           HD3      LYS  88 -15.251 -13.832   8.826
  705    HD3  LYS  88           HD2      LYS  88 -13.790 -14.578   8.081
  706    HE2  LYS  88           HE3      LYS  88 -12.612 -12.380   8.741
  707    HE3  LYS  88           HE2      LYS  88 -14.079 -11.960   9.642
  708    HZ1  LYS  88           HZ1      LYS  88 -11.943 -13.790  10.368
  709    HZ2  LYS  88           HZ2      LYS  88 -13.471 -14.433  10.562
  710    HZ3  LYS  88           HZ3      LYS  88 -13.060 -13.044  11.379
  711    H    ILE  89           H        ILE  89 -16.516  -8.985   6.642
  712    HA   ILE  89           HA       ILE  89 -18.776  -8.514   8.267
  713    HB   ILE  89           HB       ILE  89 -16.886  -6.863   6.650
  714   HG12  ILE  89          HG13      ILE  89 -17.183  -7.176   9.639
  715   HG13  ILE  89          HG12      ILE  89 -15.905  -7.815   8.603
  716   HG21  ILE  89          HG21      ILE  89 -17.809  -4.834   7.700
  717   HG22  ILE  89          HG22      ILE  89 -19.216  -5.839   8.176
  718   HG23  ILE  89          HG23      ILE  89 -18.749  -5.685   6.461
  719   HD11  ILE  89          HD11      ILE  89 -14.738  -5.936   8.793
  720   HD12  ILE  89          HD12      ILE  89 -15.898  -5.431  10.025
  721   HD13  ILE  89          HD13      ILE  89 -16.116  -4.953   8.347
  722    H    SER  90           H        SER  90 -17.970  -8.044   4.868
  723    HA   SER  90           HA       SER  90 -20.628  -7.112   4.208
  724    HB2  SER  90           HB3      SER  90 -18.261  -7.769   2.491
  725    HB3  SER  90           HB2      SER  90 -19.718  -6.917   1.952
  726    HG   SER  90           HG       SER  90 -17.624  -6.085   3.587
  Start of MODEL   16
    1    H1   MET   1           H        MET   1 -16.056   1.752   1.558
    2    H2   MET   1           H2       MET   1 -15.218   0.822   0.352
    3    H3   MET   1           H3       MET   1 -14.852   0.620   1.971
    4    HA   MET   1           HA       MET   1 -13.288   1.885   0.612
    5    HB2  MET   1           HB3      MET   1 -15.348   4.073   1.030
    6    HB3  MET   1           HB2      MET   1 -13.705   4.322   0.470
    7    HG2  MET   1           HG3      MET   1 -14.276   2.889  -1.510
    8    HG3  MET   1           HG2      MET   1 -15.937   2.868  -0.928
    9    HE1  MET   1           HE1      MET   1 -17.541   5.316  -0.962
   10    HE2  MET   1           HE2      MET   1 -16.647   6.830  -1.009
   11    HE3  MET   1           HE3      MET   1 -16.329   5.658   0.278
   12    H    ALA   2           H        ALA   2 -15.281   2.817   3.273
   13    HA   ALA   2           HA       ALA   2 -13.208   4.174   4.669
   14    HB1  ALA   2           HB1      ALA   2 -15.386   4.622   5.577
   15    HB2  ALA   2           HB2      ALA   2 -14.525   3.742   6.846
   16    HB3  ALA   2           HB3      ALA   2 -15.679   2.891   5.820
   17    H    GLU   3           H        GLU   3 -14.223   0.985   5.516
   18    HA   GLU   3           HA       GLU   3 -12.138   0.286   7.051
   19    HB2  GLU   3           HB3      GLU   3 -13.465  -1.474   5.006
   20    HB3  GLU   3           HB2      GLU   3 -12.203  -2.070   6.061
   21    HG2  GLU   3           HG3      GLU   3 -14.721  -0.774   6.999
   22    HG3  GLU   3           HG2      GLU   3 -14.449  -2.530   6.920
   23    H    TYR   4           H        TYR   4 -12.138   0.276   3.849
   24    HA   TYR   4           HA       TYR   4  -9.467  -0.563   3.296
   25    HB2  TYR   4           HB3      TYR   4 -10.998  -0.331   1.371
   26    HB3  TYR   4           HB2      TYR   4 -10.783   1.450   1.402
   27    HD1  TYR   4           HD1      TYR   4  -8.546  -1.473   1.668
   28    HD2  TYR   4           HD2      TYR   4  -9.525   2.026  -0.584
   29    HE1  TYR   4           HE1      TYR   4  -6.672  -1.902   0.199
   30    HE2  TYR   4           HE2      TYR   4  -7.647   1.581  -2.056
   31    HH   TYR   4           HH       TYR   4  -6.299  -0.589  -2.734
   32    H    GLY   5           H        GLY   5 -10.842   2.504   3.651
   33    HA2  GLY   5           HA3      GLY   5  -8.646   4.314   3.546
   34    HA3  GLY   5           HA2      GLY   5 -10.064   4.659   4.546
   35    H    THR   6           H        THR   6  -9.896   2.692   6.547
   36    HA   THR   6           HA       THR   6  -7.814   3.599   8.175
   37    HB   THR   6           HB       THR   6  -9.428   1.092   8.326
   38    HG1  THR   6           HG1      THR   6 -11.058   2.349   9.214
   39   HG21  THR   6          HG21      THR   6  -9.164   1.342  10.711
   40   HG22  THR   6          HG22      THR   6  -8.296   2.862  10.454
   41   HG23  THR   6          HG23      THR   6  -7.605   1.343   9.869
   42    H    LEU   7           H        LEU   7  -8.392   0.745   6.403
   43    HA   LEU   7           HA       LEU   7  -6.185  -0.893   6.850
   44    HB2  LEU   7           HB3      LEU   7  -7.891  -1.608   5.467
   45    HB3  LEU   7           HB2      LEU   7  -7.577  -0.380   4.278
   46    HG   LEU   7           HG       LEU   7  -7.076  -2.733   3.877
   47   HD11  LEU   7          HD11      LEU   7  -4.917  -0.657   3.369
   48   HD12  LEU   7          HD12      LEU   7  -6.370  -0.987   2.395
   49   HD13  LEU   7          HD13      LEU   7  -5.063  -2.171   2.453
   50   HD21  LEU   7          HD21      LEU   7  -4.761  -2.108   5.624
   51   HD22  LEU   7          HD22      LEU   7  -4.671  -3.391   4.416
   52   HD23  LEU   7          HD23      LEU   7  -5.888  -3.458   5.705
   53    H    LEU   8           H        LEU   8  -6.226   1.399   4.465
   54    HA   LEU   8           HA       LEU   8  -3.409   1.538   3.832
   55    HB2  LEU   8           HB3      LEU   8  -5.313   3.880   3.559
   56    HB3  LEU   8           HB2      LEU   8  -3.604   3.926   3.136
   57    HG   LEU   8           HG       LEU   8  -3.893   2.440   1.320
   58   HD11  LEU   8          HD11      LEU   8  -6.773   2.153   2.096
   59   HD12  LEU   8          HD12      LEU   8  -5.538   0.921   2.300
   60   HD13  LEU   8          HD13      LEU   8  -5.995   1.434   0.679
   61   HD21  LEU   8          HD21      LEU   8  -5.771   4.710   1.539
   62   HD22  LEU   8          HD22      LEU   8  -5.863   3.667   0.115
   63   HD23  LEU   8          HD23      LEU   8  -4.357   4.475   0.491
   64    H    GLN   9           H        GLN   9  -5.198   3.180   6.260
   65    HA   GLN   9           HA       GLN   9  -3.212   4.862   7.403
   66    HB2  GLN   9           HB3      GLN   9  -5.523   5.367   7.298
   67    HB3  GLN   9           HB2      GLN   9  -5.920   3.874   8.119
   68    HG2  GLN   9           HG3      GLN   9  -6.166   5.535   9.534
   69    HG3  GLN   9           HG2      GLN   9  -4.725   4.572   9.940
   70   HE21  GLN   9          HE22      GLN   9  -5.657   7.846   9.668
   71   HE22  GLN   9          HE21      GLN   9  -4.058   8.481   9.423
   72    H    ASP  10           H        ASP  10  -4.082   1.745   7.826
   73    HA   ASP  10           HA       ASP  10  -3.097   1.334  10.547
   74    HB2  ASP  10           HB3      ASP  10  -4.180  -0.732   8.664
   75    HB3  ASP  10           HB2      ASP  10  -3.373  -1.147  10.183
   76    H    LEU  11           H        LEU  11  -2.022   0.646   7.226
   77    HA   LEU  11           HA       LEU  11   0.342  -0.465   8.238
   78    HB2  LEU  11           HB3      LEU  11   0.983  -0.803   5.978
   79    HB3  LEU  11           HB2      LEU  11  -0.607  -1.520   6.277
   80    HG   LEU  11           HG       LEU  11  -1.392   0.717   5.184
   81   HD11  LEU  11          HD11      LEU  11   1.334   0.978   5.114
   82   HD12  LEU  11          HD12      LEU  11   0.161   2.015   4.287
   83   HD13  LEU  11          HD13      LEU  11   0.899   0.648   3.437
   84   HD21  LEU  11          HD21      LEU  11  -1.677  -0.455   3.168
   85   HD22  LEU  11          HD22      LEU  11  -1.560  -1.720   4.388
   86   HD23  LEU  11          HD23      LEU  11  -0.167  -1.352   3.380
   87    H    THR  12           H        THR  12  -0.863   2.440   7.092
   88    HA   THR  12           HA       THR  12   1.529   3.948   6.639
   89    HB   THR  12           HB       THR  12  -1.318   4.760   7.144
   90    HG1  THR  12           HG1      THR  12  -1.114   3.939   5.198
   91   HG21  THR  12          HG21      THR  12  -0.695   6.789   7.522
   92   HG22  THR  12          HG22      THR  12   0.006   6.770   5.879
   93   HG23  THR  12          HG23      THR  12   1.021   6.311   7.298
   94    H    ASN  13           H        ASN  13  -0.410   3.352   9.498
   95    HA   ASN  13           HA       ASN  13   1.010   5.128  11.244
   96    HB2  ASN  13           HB3      ASN  13  -0.552   2.625  11.974
   97    HB3  ASN  13           HB2      ASN  13   0.252   3.640  13.152
   98   HD21  ASN  13          HD22      ASN  13  -2.664   2.931  12.012
   99   HD22  ASN  13          HD21      ASN  13  -3.455   4.454  12.198
  100    H    ASN  14           H        ASN  14   1.589   1.974  10.095
  101    HA   ASN  14           HA       ASN  14   3.941   1.695  11.803
  102    HB2  ASN  14           HB3      ASN  14   2.646  -0.257   9.879
  103    HB3  ASN  14           HB2      ASN  14   4.128  -0.584  10.768
  104   HD21  ASN  14          HD22      ASN  14   0.769  -0.795  10.887
  105   HD22  ASN  14          HD21      ASN  14   0.635  -1.102  12.580
  106    H    ILE  15           H        ILE  15   3.278   3.139   8.936
  107    HA   ILE  15           HA       ILE  15   5.667   2.386   7.573
  108    HB   ILE  15           HB       ILE  15   3.369   4.177   6.871
  109   HG12  ILE  15          HG13      ILE  15   3.336   1.777   6.411
  110   HG13  ILE  15          HG12      ILE  15   3.221   2.767   4.945
  111   HG21  ILE  15          HG21      ILE  15   5.085   4.141   4.705
  112   HG22  ILE  15          HG22      ILE  15   6.023   4.780   6.062
  113   HG23  ILE  15          HG23      ILE  15   4.473   5.543   5.582
  114   HD11  ILE  15          HD11      ILE  15   5.043   0.701   5.421
  115   HD12  ILE  15          HD12      ILE  15   5.969   2.205   5.552
  116   HD13  ILE  15          HD13      ILE  15   5.046   1.877   4.098
  117    H    THR  16           H        THR  16   7.496   3.041   8.172
  118    HA   THR  16           HA       THR  16   7.955   5.696   9.146
  119    HB   THR  16           HB       THR  16  10.231   4.972   9.393
  120    HG1  THR  16           HG1      THR  16   9.663   2.279   8.978
  121   HG21  THR  16          HG21      THR  16   8.476   4.524  11.077
  122   HG22  THR  16          HG22      THR  16  10.025   3.646  11.200
  123   HG23  THR  16          HG23      THR  16   8.580   2.823  10.502
  124    H    LEU  17           H        LEU  17   9.473   6.736   8.121
  125    HA   LEU  17           HA       LEU  17   9.430   7.123   5.258
  126    HB2  LEU  17           HB3      LEU  17  11.819   7.646   7.016
  127    HB3  LEU  17           HB2      LEU  17  11.858   7.973   5.299
  128    HG   LEU  17           HG       LEU  17   9.991   9.356   7.245
  129   HD11  LEU  17          HD11      LEU  17  12.718   9.948   6.131
  130   HD12  LEU  17          HD12      LEU  17  12.083  10.211   7.755
  131   HD13  LEU  17          HD13      LEU  17  11.577  11.260   6.434
  132   HD21  LEU  17          HD21      LEU  17   9.048   9.247   5.057
  133   HD22  LEU  17          HD22      LEU  17  10.611   9.599   4.328
  134   HD23  LEU  17          HD23      LEU  17   9.763  10.839   5.263
  135    H    GLU  18           H        GLU  18  11.706   5.262   7.141
  136    HA   GLU  18           HA       GLU  18  13.034   4.190   4.933
  137    HB2  GLU  18           HB3      GLU  18  12.928   3.142   7.769
  138    HB3  GLU  18           HB2      GLU  18  14.062   2.580   6.545
  139    HG2  GLU  18           HG3      GLU  18  15.045   4.804   6.349
  140    HG3  GLU  18           HG2      GLU  18  13.849   5.424   7.496
  141    H    ASP  19           H        ASP  19  10.633   2.691   6.955
  142    HA   ASP  19           HA       ASP  19  10.373   0.255   5.574
  143    HB2  ASP  19           HB3      ASP  19   8.218   1.756   7.111
  144    HB3  ASP  19           HB2      ASP  19   7.887   0.189   6.331
  145    H    LEU  20           H        LEU  20   8.287   3.021   5.083
  146    HA   LEU  20           HA       LEU  20   7.138   2.260   2.745
  147    HB2  LEU  20           HB3      LEU  20   6.894   4.519   4.029
  148    HB3  LEU  20           HB2      LEU  20   8.239   4.924   2.949
  149    HG   LEU  20           HG       LEU  20   7.064   4.442   1.037
  150   HD11  LEU  20          HD11      LEU  20   5.490   2.746   1.754
  151   HD12  LEU  20          HD12      LEU  20   4.623   4.091   1.026
  152   HD13  LEU  20          HD13      LEU  20   4.651   3.908   2.781
  153   HD21  LEU  20          HD21      LEU  20   5.185   6.283   1.637
  154   HD22  LEU  20          HD22      LEU  20   6.894   6.627   1.347
  155   HD23  LEU  20          HD23      LEU  20   6.303   6.434   2.994
  156    H    GLU  21           H        GLU  21  10.256   3.750   3.088
  157    HA   GLU  21           HA       GLU  21  10.626   3.858   0.315
  158    HB2  GLU  21           HB3      GLU  21  12.808   4.142   2.357
  159    HB3  GLU  21           HB2      GLU  21  13.123   4.270   0.613
  160    HG2  GLU  21           HG3      GLU  21  11.178   5.966   0.642
  161    HG3  GLU  21           HG2      GLU  21  11.446   5.894   2.386
  162    H    GLN  22           H        GLN  22  11.187   1.572   2.379
  163    HA   GLN  22           HA       GLN  22  12.496  -0.202   0.568
  164    HB2  GLN  22           HB3      GLN  22  12.700  -0.683   2.905
  165    HB3  GLN  22           HB2      GLN  22  10.951  -0.869   3.029
  166    HG2  GLN  22           HG3      GLN  22  11.028  -2.904   1.790
  167    HG3  GLN  22           HG2      GLN  22  12.739  -2.641   1.418
  168   HE21  GLN  22          HE22      GLN  22  10.529  -3.938   3.617
  169   HE22  GLN  22          HE21      GLN  22  11.658  -4.367   4.854
  170    H    LEU  23           H        LEU  23   8.980   0.221   1.300
  171    HA   LEU  23           HA       LEU  23   8.033  -1.617  -0.566
  172    HB2  LEU  23           HB3      LEU  23   6.960   1.088   0.277
  173    HB3  LEU  23           HB2      LEU  23   6.045  -0.210  -0.467
  174    HG   LEU  23           HG       LEU  23   7.312  -0.267   2.226
  175   HD11  LEU  23          HD11      LEU  23   5.041  -0.047   3.061
  176   HD12  LEU  23          HD12      LEU  23   4.447  -0.016   1.383
  177   HD13  LEU  23          HD13      LEU  23   5.426   1.309   2.001
  178   HD21  LEU  23          HD21      LEU  23   5.306  -2.166   2.070
  179   HD22  LEU  23          HD22      LEU  23   7.051  -2.396   2.130
  180   HD23  LEU  23          HD23      LEU  23   6.226  -2.319   0.567
  181    H    LYS  24           H        LYS  24   8.908   1.632  -0.682
  182    HA   LYS  24           HA       LYS  24   8.316   2.403  -3.389
  183    HB2  LYS  24           HB3      LYS  24  10.606   3.433  -1.642
  184    HB3  LYS  24           HB2      LYS  24  10.004   4.222  -3.084
  185    HG2  LYS  24           HG3      LYS  24   7.873   4.756  -2.001
  186    HG3  LYS  24           HG2      LYS  24   8.307   3.778  -0.594
  187    HD2  LYS  24           HD3      LYS  24   8.500   6.171  -0.171
  188    HD3  LYS  24           HD2      LYS  24  10.001   5.276   0.047
  189    HE2  LYS  24           HE3      LYS  24  10.777   6.103  -2.112
  190    HE3  LYS  24           HE2      LYS  24   9.271   6.961  -2.330
  191    HZ1  LYS  24           HZ1      LYS  24  10.741   8.535  -1.534
  192    HZ2  LYS  24           HZ2      LYS  24  11.371   7.579  -0.279
  193    HZ3  LYS  24           HZ3      LYS  24   9.798   8.147  -0.193
  194    H    SER  25           H        SER  25  10.940   1.405  -2.107
  195    HA   SER  25           HA       SER  25  12.881   0.908  -4.169
  196    HB2  SER  25           HB3      SER  25  12.812  -0.820  -1.668
  197    HB3  SER  25           HB2      SER  25  14.181  -0.776  -2.798
  198    HG   SER  25           HG       SER  25  13.144   1.353  -1.226
  199    H    ALA  26           H        ALA  26  10.794  -1.192  -2.782
  200    HA   ALA  26           HA       ALA  26  10.992  -3.342  -4.693
  201    HB1  ALA  26           HB1      ALA  26   9.401  -4.468  -3.517
  202    HB2  ALA  26           HB2      ALA  26   8.309  -3.081  -3.450
  203    HB3  ALA  26           HB3      ALA  26   9.653  -3.194  -2.330
  204    H    CYS  27           H        CYS  27   8.705  -0.608  -4.449
  205    HA   CYS  27           HA       CYS  27   7.401  -1.232  -6.855
  206    HB2  CYS  27           HB3      CYS  27   7.474   1.390  -5.419
  207    HB3  CYS  27           HB2      CYS  27   6.358   0.831  -6.672
  208    HG   CYS  27           HG       CYS  27   6.635  -0.392  -3.511
  209    H    LYS  28           H        LYS  28  10.479  -0.027  -6.602
  210    HA   LYS  28           HA       LYS  28  10.420   2.347  -7.887
  211    HB2  LYS  28           HB3      LYS  28  12.789   2.231  -8.191
  212    HB3  LYS  28           HB2      LYS  28  12.348   1.308  -6.762
  213    HG2  LYS  28           HG3      LYS  28  12.643  -0.753  -7.946
  214    HG3  LYS  28           HG2      LYS  28  13.051   0.158  -9.414
  215    HD2  LYS  28           HD3      LYS  28  14.927   1.210  -8.212
  216    HD3  LYS  28           HD2      LYS  28  14.575   0.230  -6.801
  217    HE2  LYS  28           HE3      LYS  28  16.405  -0.738  -8.006
  218    HE3  LYS  28           HE2      LYS  28  15.007  -1.803  -8.153
  219    HZ1  LYS  28           HZ1      LYS  28  16.239  -1.491 -10.212
  220    HZ2  LYS  28           HZ2      LYS  28  15.899   0.152 -10.186
  221    HZ3  LYS  28           HZ3      LYS  28  14.635  -1.008 -10.414
  222    H    GLU  29           H        GLU  29  10.231  -0.699  -9.321
  223    HA   GLU  29           HA       GLU  29  10.650   0.088 -11.983
  224    HB2  GLU  29           HB3      GLU  29   9.193  -2.307 -10.903
  225    HB3  GLU  29           HB2      GLU  29   9.763  -2.132 -12.556
  226    HG2  GLU  29           HG3      GLU  29  11.452  -2.047 -10.125
  227    HG3  GLU  29           HG2      GLU  29  11.282  -3.513 -11.118
  228    H    ASP  30           H        ASP  30   7.796  -0.335  -9.920
  229    HA   ASP  30           HA       ASP  30   5.892   0.204 -12.026
  230    HB2  ASP  30           HB3      ASP  30   5.482  -0.421  -9.115
  231    HB3  ASP  30           HB2      ASP  30   4.159  -0.015 -10.186
  232    H    ILE  31           H        ILE  31   6.890   1.965  -9.123
  233    HA   ILE  31           HA       ILE  31   5.048   4.077  -9.901
  234    HB   ILE  31           HB       ILE  31   5.060   3.094  -7.568
  235   HG12  ILE  31          HG13      ILE  31   4.116   5.315  -7.902
  236   HG13  ILE  31          HG12      ILE  31   4.761   5.095  -6.283
  237   HG21  ILE  31          HG21      ILE  31   7.699   4.389  -7.377
  238   HG22  ILE  31          HG22      ILE  31   7.208   2.690  -7.050
  239   HG23  ILE  31          HG23      ILE  31   6.662   4.010  -5.987
  240   HD11  ILE  31          HD11      ILE  31   6.603   6.261  -8.203
  241   HD12  ILE  31          HD12      ILE  31   6.274   6.695  -6.520
  242   HD13  ILE  31          HD13      ILE  31   5.201   7.301  -7.787
  243    HA   PRO  32           HA       PRO  32   8.233   6.016 -11.921
  244    HB2  PRO  32           HB2      PRO  32   6.877   8.611 -11.445
  245    HB3  PRO  32           HB3      PRO  32   7.367   7.884 -12.978
  246    HG2  PRO  32           HG3      PRO  32   4.816   7.858 -12.234
  247    HG3  PRO  32           HG2      PRO  32   5.532   6.423 -13.006
  248    HD2  PRO  32           HD3      PRO  32   5.061   7.019 -10.123
  249    HD3  PRO  32           HD2      PRO  32   4.671   5.502 -10.997
  250    H    SER  33           H        SER  33   9.967   6.941 -11.660
  251    HA   SER  33           HA       SER  33  11.369   7.321  -9.199
  252    HB2  SER  33           HB3      SER  33  12.685   7.097 -11.293
  253    HB3  SER  33           HB2      SER  33  12.149   8.695 -11.808
  254    HG   SER  33           HG       SER  33  13.315   9.440  -9.777
  255    H    GLU  34           H        GLU  34  10.313   9.697 -11.286
  256    HA   GLU  34           HA       GLU  34  10.656  12.088  -9.921
  257    HB2  GLU  34           HB3      GLU  34   9.789  12.073 -12.178
  258    HB3  GLU  34           HB2      GLU  34   8.255  11.404 -11.628
  259    HG2  GLU  34           HG3      GLU  34   7.755  13.498 -10.486
  260    HG3  GLU  34           HG2      GLU  34   9.318  14.152 -10.982
  261    H    LYS  35           H        LYS  35   8.041  10.106  -9.664
  262    HA   LYS  35           HA       LYS  35   6.957  11.480  -7.391
  263    HB2  LYS  35           HB3      LYS  35   5.902   9.034  -8.728
  264    HB3  LYS  35           HB2      LYS  35   5.195   9.679  -7.252
  265    HG2  LYS  35           HG3      LYS  35   5.541  11.248  -9.786
  266    HG3  LYS  35           HG2      LYS  35   4.052  10.438  -9.249
  267    HD2  LYS  35           HD3      LYS  35   4.097  11.635  -7.185
  268    HD3  LYS  35           HD2      LYS  35   5.564  12.489  -7.613
  269    HE2  LYS  35           HE3      LYS  35   4.278  13.590  -9.483
  270    HE3  LYS  35           HE2      LYS  35   2.841  12.784  -8.884
  271    HZ1  LYS  35           HZ1      LYS  35   2.636  14.673  -7.571
  272    HZ2  LYS  35           HZ2      LYS  35   4.254  15.066  -7.790
  273    HZ3  LYS  35           HZ3      LYS  35   3.820  13.931  -6.643
  274    H    SER  36           H        SER  36   8.377   8.202  -7.530
  275    HA   SER  36           HA       SER  36   8.136   7.596  -4.926
  276    HB2  SER  36           HB3      SER  36   8.938   6.108  -6.671
  277    HB3  SER  36           HB2      SER  36  10.446   7.011  -6.798
  278    HG   SER  36           HG       SER  36  10.607   5.127  -5.511
  279    H    GLU  37           H        GLU  37  10.184   9.687  -6.344
  280    HA   GLU  37           HA       GLU  37  12.060  10.121  -4.237
  281    HB2  GLU  37           HB3      GLU  37  11.358  12.073  -6.430
  282    HB3  GLU  37           HB2      GLU  37  12.689  12.343  -5.295
  283    HG2  GLU  37           HG3      GLU  37  13.775  10.272  -6.064
  284    HG3  GLU  37           HG2      GLU  37  12.424   9.977  -7.134
  285    H    GLU  38           H        GLU  38   8.964  12.047  -4.788
  286    HA   GLU  38           HA       GLU  38   9.367  13.432  -2.458
  287    HB2  GLU  38           HB3      GLU  38   7.179  14.305  -2.866
  288    HB3  GLU  38           HB2      GLU  38   8.054  14.211  -4.390
  289    HG2  GLU  38           HG3      GLU  38   6.777  12.211  -5.005
  290    HG3  GLU  38           HG2      GLU  38   5.995  12.232  -3.454
  291    H    ILE  39           H        ILE  39   8.288  10.275  -2.846
  292    HA   ILE  39           HA       ILE  39   6.082  10.381  -1.100
  293    HB   ILE  39           HB       ILE  39   7.593   7.996  -2.131
  294   HG12  ILE  39          HG13      ILE  39   4.863   9.026  -2.970
  295   HG13  ILE  39          HG12      ILE  39   6.377   9.355  -3.860
  296   HG21  ILE  39          HG21      ILE  39   6.416   6.730  -0.707
  297   HG22  ILE  39          HG22      ILE  39   4.965   7.341  -1.541
  298   HG23  ILE  39          HG23      ILE  39   5.565   8.176  -0.100
  299   HD11  ILE  39          HD11      ILE  39   5.329   6.610  -3.236
  300   HD12  ILE  39          HD12      ILE  39   6.466   7.135  -4.483
  301   HD13  ILE  39          HD13      ILE  39   4.762   7.581  -4.588
  302    H    THR  40           H        THR  40   7.008  11.435   0.592
  303    HA   THR  40           HA       THR  40   8.744  10.154   2.490
  304    HB   THR  40           HB       THR  40   9.055  12.531   2.156
  305    HG1  THR  40           HG1      THR  40   8.162  11.682   4.608
  306   HG21  THR  40          HG21      THR  40   6.904  13.127   1.239
  307   HG22  THR  40          HG22      THR  40   7.178  14.137   2.663
  308   HG23  THR  40          HG23      THR  40   6.115  12.715   2.760
  309    H    THR  41           H        THR  41   5.701   9.692   1.953
  310    HA   THR  41           HA       THR  41   5.227   8.692   4.567
  311    HB   THR  41           HB       THR  41   4.577  10.855   5.082
  312    HG1  THR  41           HG1      THR  41   2.422  10.581   5.809
  313   HG21  THR  41          HG21      THR  41   3.247  10.916   2.486
  314   HG22  THR  41          HG22      THR  41   3.894  12.227   3.470
  315   HG23  THR  41          HG23      THR  41   2.275  11.599   3.782
  316    H    GLY  42           H        GLY  42   3.455   7.471   4.879
  317    HA2  GLY  42           HA3      GLY  42   3.146   5.622   2.718
  318    HA3  GLY  42           HA2      GLY  42   2.203   5.521   4.211
  319    H    SER  43           H        SER  43   0.592   7.916   4.205
  320    HA   SER  43           HA       SER  43  -1.346   7.477   2.531
  321    HB2  SER  43           HB3      SER  43  -0.290  10.056   3.689
  322    HB3  SER  43           HB2      SER  43  -1.957   9.752   3.180
  323    HG   SER  43           HG       SER  43  -2.289   8.611   4.931
  324    H    ALA  44           H        ALA  44   1.387   9.495   2.142
  325    HA   ALA  44           HA       ALA  44   0.804  10.943  -0.193
  326    HB1  ALA  44           HB1      ALA  44   3.577  10.159  -0.375
  327    HB2  ALA  44           HB2      ALA  44   3.171  10.642   1.272
  328    HB3  ALA  44           HB3      ALA  44   2.894  11.756  -0.061
  329    H    TRP  45           H        TRP  45   2.475   7.879  -0.002
  330    HA   TRP  45           HA       TRP  45   2.543   7.378  -2.791
  331    HB2  TRP  45           HB3      TRP  45   3.891   6.130  -0.970
  332    HB3  TRP  45           HB2      TRP  45   2.412   5.377  -0.538
  333    HD1  TRP  45           HD1      TRP  45   3.777   5.788  -4.159
  334    HE1  TRP  45           HE1      TRP  45   3.801   3.308  -5.134
  335    HE3  TRP  45           HE3      TRP  45   2.422   3.112  -0.018
  336    HZ2  TRP  45           HZ2      TRP  45   3.415   0.797  -4.307
  337    HZ3  TRP  45           HZ3      TRP  45   2.310   0.656  -0.203
  338    HH2  TRP  45           HH2      TRP  45   2.805  -0.433  -2.351
  339    H    PHE  46           H        PHE  46   0.236   6.268  -0.338
  340    HA   PHE  46           HA       PHE  46  -1.314   4.938  -2.197
  341    HB2  PHE  46           HB3      PHE  46  -2.229   6.400   0.266
  342    HB3  PHE  46           HB2      PHE  46  -3.271   5.337  -0.669
  343    HD1  PHE  46           HD1      PHE  46  -2.013   3.035  -1.210
  344    HD2  PHE  46           HD2      PHE  46  -1.428   5.480   2.234
  345    HE1  PHE  46           HE1      PHE  46  -1.379   1.057   0.081
  346    HE2  PHE  46           HE2      PHE  46  -0.827   3.460   3.545
  347    HZ   PHE  46           HZ       PHE  46  -0.787   1.262   2.413
  348    H    SER  47           H        SER  47  -1.715   8.021  -1.088
  349    HA   SER  47           HA       SER  47  -3.743   8.916  -2.894
  350    HB2  SER  47           HB3      SER  47  -1.797  10.627  -1.394
  351    HB3  SER  47           HB2      SER  47  -3.203  11.282  -2.239
  352    HG   SER  47           HG       SER  47  -4.327   9.539  -0.965
  353    H    PHE  48           H        PHE  48  -0.362   8.904  -3.528
  354    HA   PHE  48           HA       PHE  48  -0.608  10.325  -6.035
  355    HB2  PHE  48           HB3      PHE  48   1.609  10.096  -5.165
  356    HB3  PHE  48           HB2      PHE  48   1.419   8.355  -4.953
  357    HD1  PHE  48           HD2      PHE  48   1.091  10.879  -7.730
  358    HD2  PHE  48           HD1      PHE  48   2.270   7.052  -6.431
  359    HE1  PHE  48           HE2      PHE  48   1.888  10.396  -9.962
  360    HE2  PHE  48           HE1      PHE  48   3.110   6.541  -8.712
  361    HZ   PHE  48           HZ       PHE  48   2.896   8.218 -10.470
  362    H    LEU  49           H        LEU  49  -0.349   6.866  -5.031
  363    HA   LEU  49           HA       LEU  49  -0.606   5.670  -7.416
  364    HB2  LEU  49           HB3      LEU  49  -0.129   5.058  -5.023
  365    HB3  LEU  49           HB2      LEU  49  -1.876   4.736  -4.927
  366    HG   LEU  49           HG       LEU  49  -1.532   2.960  -6.705
  367   HD11  LEU  49          HD11      LEU  49   1.367   3.056  -6.323
  368   HD12  LEU  49          HD12      LEU  49   0.725   4.466  -7.163
  369   HD13  LEU  49          HD13      LEU  49   0.429   2.857  -7.814
  370   HD21  LEU  49          HD21      LEU  49  -0.935   2.870  -3.998
  371   HD22  LEU  49          HD22      LEU  49   0.513   2.208  -4.736
  372   HD23  LEU  49          HD23      LEU  49  -1.045   1.469  -5.052
  373    H    GLU  50           H        GLU  50  -3.061   6.288  -5.075
  374    HA   GLU  50           HA       GLU  50  -5.558   5.763  -6.246
  375    HB2  GLU  50           HB3      GLU  50  -5.090   8.350  -4.697
  376    HB3  GLU  50           HB2      GLU  50  -6.655   7.745  -5.153
  377    HG2  GLU  50           HG3      GLU  50  -6.340   5.847  -3.631
  378    HG3  GLU  50           HG2      GLU  50  -4.743   6.481  -3.223
  379    H    SER  51           H        SER  51  -3.863   8.375  -6.499
  380    HA   SER  51           HA       SER  51  -5.327  10.045  -8.382
  381    HB2  SER  51           HB3      SER  51  -2.304  10.124  -8.214
  382    HB3  SER  51           HB2      SER  51  -3.311  11.334  -9.034
  383    HG   SER  51           HG       SER  51  -3.315  10.617  -6.316
  384    H    HIS  52           H        HIS  52  -3.172   7.363  -8.996
  385    HA   HIS  52           HA       HIS  52  -3.939   7.532 -11.835
  386    HB2  HIS  52           HB3      HIS  52  -1.589   6.124 -10.605
  387    HB3  HIS  52           HB2      HIS  52  -1.997   5.881 -12.338
  388    HD1  HIS  52           HD1      HIS  52   0.312   6.953 -13.097
  389    HD2  HIS  52           HD2      HIS  52  -1.867   9.089 -10.384
  390    HE1  HIS  52           HE1      HIS  52   1.650   9.074 -12.727
  391    H    ASN  53           H        ASN  53  -3.903   5.072 -12.762
  392    HA   ASN  53           HA       ASN  53  -5.998   3.825 -11.193
  393    HB2  ASN  53           HB3      ASN  53  -5.007   3.110 -13.972
  394    HB3  ASN  53           HB2      ASN  53  -6.285   2.245 -13.146
  395   HD21  ASN  53          HD22      ASN  53  -5.770   4.456 -15.458
  396   HD22  ASN  53          HD21      ASN  53  -7.244   5.345 -15.360
  397    H    LYS  54           H        LYS  54  -3.605   3.626  -9.861
  398    HA   LYS  54           HA       LYS  54  -2.954   0.820 -10.276
  399    HB2  LYS  54           HB3      LYS  54  -1.268   2.689  -8.612
  400    HB3  LYS  54           HB2      LYS  54  -1.009   0.974  -8.917
  401    HG2  LYS  54           HG3      LYS  54  -0.845   3.192 -10.965
  402    HG3  LYS  54           HG2      LYS  54   0.473   2.242 -10.268
  403    HD2  LYS  54           HD3      LYS  54  -1.797   1.112 -11.865
  404    HD3  LYS  54           HD2      LYS  54  -0.212   1.500 -12.550
  405    HE2  LYS  54           HE3      LYS  54  -0.737  -0.530 -10.370
  406    HE3  LYS  54           HE2      LYS  54  -0.490  -0.916 -12.065
  407    HZ1  LYS  54           HZ1      LYS  54   1.596   0.532 -10.499
  408    HZ2  LYS  54           HZ2      LYS  54   1.733  -0.286 -11.970
  409    HZ3  LYS  54           HZ3      LYS  54   1.507  -1.174 -10.613
  410    H    LEU  55           H        LEU  55  -4.866   2.692  -8.394
  411    HA   LEU  55           HA       LEU  55  -5.426   0.489  -6.685
  412    HB2  LEU  55           HB3      LEU  55  -3.370   1.205  -5.564
  413    HB3  LEU  55           HB2      LEU  55  -3.959   2.835  -5.472
  414    HG   LEU  55           HG       LEU  55  -5.337   0.594  -3.961
  415   HD11  LEU  55          HD11      LEU  55  -3.574   0.506  -2.517
  416   HD12  LEU  55          HD12      LEU  55  -3.693   2.241  -2.231
  417   HD13  LEU  55          HD13      LEU  55  -2.668   1.624  -3.521
  418   HD21  LEU  55          HD21      LEU  55  -5.470   2.813  -2.380
  419   HD22  LEU  55          HD22      LEU  55  -6.705   2.331  -3.549
  420   HD23  LEU  55          HD23      LEU  55  -5.486   3.546  -3.971
  421    H    ASP  56           H        ASP  56  -7.318   0.550  -7.074
  422    HA   ASP  56           HA       ASP  56  -9.074   2.807  -6.710
  423    HB2  ASP  56           HB3      ASP  56  -9.799  -0.103  -7.027
  424    HB3  ASP  56           HB2      ASP  56 -10.971   1.162  -6.777
  425    H    LYS  57           H        LYS  57 -10.987   2.356  -5.380
  426    HA   LYS  57           HA       LYS  57 -10.274   2.089  -2.694
  427    HB2  LYS  57           HB3      LYS  57 -12.810   2.016  -2.311
  428    HB3  LYS  57           HB2      LYS  57 -12.071   3.473  -2.948
  429    HG2  LYS  57           HG3      LYS  57 -14.215   2.893  -4.036
  430    HG3  LYS  57           HG2      LYS  57 -12.783   2.977  -5.097
  431    HD2  LYS  57           HD3      LYS  57 -12.625   0.680  -5.205
  432    HD3  LYS  57           HD2      LYS  57 -13.813   0.430  -3.974
  433    HE2  LYS  57           HE3      LYS  57 -14.667  -0.038  -6.211
  434    HE3  LYS  57           HE2      LYS  57 -15.624   1.202  -5.384
  435    HZ1  LYS  57           HZ1      LYS  57 -15.465   2.094  -7.365
  436    HZ2  LYS  57           HZ2      LYS  57 -14.036   1.393  -7.858
  437    HZ3  LYS  57           HZ3      LYS  57 -14.041   2.773  -6.851
  438    H    ASP  58           H        ASP  58 -11.146  -0.293  -5.039
  439    HA   ASP  58           HA       ASP  58 -11.524  -2.137  -2.920
  440    HB2  ASP  58           HB3      ASP  58 -12.301  -2.484  -5.810
  441    HB3  ASP  58           HB2      ASP  58 -12.259  -3.821  -4.669
  442    H    ASN  59           H        ASN  59  -9.572  -1.361  -5.488
  443    HA   ASN  59           HA       ASN  59  -8.201  -3.872  -5.458
  444    HB2  ASN  59           HB3      ASN  59  -7.789  -1.446  -7.150
  445    HB3  ASN  59           HB2      ASN  59  -6.838  -2.949  -7.282
  446   HD21  ASN  59          HD22      ASN  59  -9.648  -1.405  -8.211
  447   HD22  ASN  59          HD21      ASN  59 -10.463  -2.781  -8.828
  448    H    LEU  60           H        LEU  60  -6.617  -4.401  -4.714
  449    HA   LEU  60           HA       LEU  60  -4.812  -2.584  -3.292
  450    HB2  LEU  60           HB3      LEU  60  -4.794  -3.987  -1.318
  451    HB3  LEU  60           HB2      LEU  60  -6.401  -3.416  -1.660
  452    HG   LEU  60           HG       LEU  60  -5.401  -6.245  -2.144
  453   HD11  LEU  60          HD11      LEU  60  -7.587  -5.954  -0.286
  454   HD12  LEU  60          HD12      LEU  60  -6.198  -4.968   0.177
  455   HD13  LEU  60          HD13      LEU  60  -5.996  -6.697  -0.056
  456   HD21  LEU  60          HD21      LEU  60  -7.079  -6.209  -3.649
  457   HD22  LEU  60          HD22      LEU  60  -7.846  -4.815  -2.904
  458   HD23  LEU  60          HD23      LEU  60  -8.095  -6.429  -2.204
  459    H    SER  61           H        SER  61  -5.221  -5.527  -4.850
  460    HA   SER  61           HA       SER  61  -3.194  -7.106  -4.056
  461    HB2  SER  61           HB3      SER  61  -4.940  -7.851  -5.704
  462    HB3  SER  61           HB2      SER  61  -4.019  -7.066  -6.979
  463    HG   SER  61           HG       SER  61  -3.076  -9.092  -5.276
  464    H    TYR  62           H        TYR  62  -2.743  -4.612  -6.200
  465    HA   TYR  62           HA       TYR  62   0.017  -4.990  -6.942
  466    HB2  TYR  62           HB3      TYR  62  -1.009  -3.331  -8.211
  467    HB3  TYR  62           HB2      TYR  62  -1.640  -2.497  -6.797
  468    HD1  TYR  62           HD2      TYR  62   1.896  -3.589  -7.420
  469    HD2  TYR  62           HD1      TYR  62  -0.821  -0.366  -7.012
  470    HE1  TYR  62           HE2      TYR  62   3.798  -1.983  -7.341
  471    HE2  TYR  62           HE1      TYR  62   1.046   1.208  -7.035
  472    HH   TYR  62           HH       TYR  62   4.236   0.274  -6.581
  473    H    ILE  63           H        ILE  63  -1.402  -3.194  -4.315
  474    HA   ILE  63           HA       ILE  63   1.152  -2.465  -3.211
  475    HB   ILE  63           HB       ILE  63   0.026  -1.231  -1.594
  476   HG12  ILE  63          HG13      ILE  63  -2.593  -2.602  -2.194
  477   HG13  ILE  63          HG12      ILE  63  -1.552  -3.151  -0.880
  478   HG21  ILE  63          HG21      ILE  63  -1.305   0.142  -2.768
  479   HG22  ILE  63          HG22      ILE  63  -1.994  -1.205  -3.674
  480   HG23  ILE  63          HG23      ILE  63  -0.325  -0.671  -4.015
  481   HD11  ILE  63          HD11      ILE  63  -3.050  -0.607  -1.161
  482   HD12  ILE  63          HD12      ILE  63  -1.550  -0.741  -0.239
  483   HD13  ILE  63          HD13      ILE  63  -2.937  -1.756   0.217
  484    H    GLU  64           H        GLU  64  -1.049  -4.935  -3.005
  485    HA   GLU  64           HA       GLU  64  -0.545  -6.115  -0.407
  486    HB2  GLU  64           HB3      GLU  64  -2.504  -6.673  -1.817
  487    HB3  GLU  64           HB2      GLU  64  -1.443  -7.382  -3.014
  488    HG2  GLU  64           HG3      GLU  64  -0.791  -9.066  -1.257
  489    HG3  GLU  64           HG2      GLU  64  -2.072  -8.373  -0.261
  490    H    HIS  65           H        HIS  65   0.520  -7.000  -3.708
  491    HA   HIS  65           HA       HIS  65   2.634  -8.678  -3.129
  492    HB2  HIS  65           HB3      HIS  65   1.607  -8.176  -5.315
  493    HB3  HIS  65           HB2      HIS  65   2.215  -6.540  -5.209
  494    HD1  HIS  65           HD1      HIS  65   3.851 -10.016  -5.081
  495    HD2  HIS  65           HD2      HIS  65   4.290  -6.183  -6.574
  496    HE1  HIS  65           HE1      HIS  65   5.782 -10.195  -6.675
  497    H    ILE  66           H        ILE  66   2.845  -5.285  -3.677
  498    HA   ILE  66           HA       ILE  66   5.373  -4.905  -3.142
  499    HB   ILE  66           HB       ILE  66   3.238  -3.128  -2.051
  500   HG12  ILE  66          HG13      ILE  66   3.094  -3.681  -4.265
  501   HG13  ILE  66          HG12      ILE  66   3.459  -1.921  -4.277
  502   HG21  ILE  66          HG21      ILE  66   5.087  -2.303  -0.888
  503   HG22  ILE  66          HG22      ILE  66   5.076  -1.254  -2.277
  504   HG23  ILE  66          HG23      ILE  66   6.221  -2.603  -2.182
  505   HD11  ILE  66          HD11      ILE  66   4.677  -4.235  -5.399
  506   HD12  ILE  66          HD12      ILE  66   5.864  -3.244  -4.519
  507   HD13  ILE  66          HD13      ILE  66   4.861  -2.528  -5.823
  508    H    PHE  67           H        PHE  67   2.883  -5.107  -0.477
  509    HA   PHE  67           HA       PHE  67   4.819  -4.826   1.376
  510    HB2  PHE  67           HB3      PHE  67   2.072  -6.059   1.666
  511    HB3  PHE  67           HB2      PHE  67   3.137  -5.578   2.983
  512    HD1  PHE  67           HD2      PHE  67   3.963  -3.094   2.866
  513    HD2  PHE  67           HD1      PHE  67   0.547  -4.623   0.953
  514    HE1  PHE  67           HE2      PHE  67   3.122  -0.811   2.593
  515    HE2  PHE  67           HE1      PHE  67  -0.331  -2.347   0.669
  516    HZ   PHE  67           HZ       PHE  67   0.967  -0.422   1.490
  517    H    GLU  68           H        GLU  68   3.863  -7.714  -0.569
  518    HA   GLU  68           HA       GLU  68   4.693  -9.757   1.172
  519    HB2  GLU  68           HB3      GLU  68   3.084 -10.031  -0.641
  520    HB3  GLU  68           HB2      GLU  68   4.200  -9.329  -1.784
  521    HG2  GLU  68           HG3      GLU  68   5.655 -11.309  -1.464
  522    HG3  GLU  68           HG2      GLU  68   4.397 -12.021  -0.451
  523    H    ILE  69           H        ILE  69   5.982  -8.395  -1.763
  524    HA   ILE  69           HA       ILE  69   8.374  -9.638  -1.676
  525    HB   ILE  69           HB       ILE  69   9.196  -8.134  -3.349
  526   HG12  ILE  69          HG13      ILE  69   6.581  -6.681  -2.929
  527   HG13  ILE  69          HG12      ILE  69   8.189  -6.044  -2.636
  528   HG21  ILE  69          HG21      ILE  69   6.461  -8.677  -4.222
  529   HG22  ILE  69          HG22      ILE  69   7.313 -10.044  -3.481
  530   HG23  ILE  69          HG23      ILE  69   7.991  -9.231  -4.899
  531   HD11  ILE  69          HD11      ILE  69   8.081  -7.101  -5.205
  532   HD12  ILE  69          HD12      ILE  69   8.338  -5.388  -4.747
  533   HD13  ILE  69          HD13      ILE  69   6.679  -6.045  -4.992
  534    H    SER  70           H        SER  70   7.692  -6.522  -0.352
  535    HA   SER  70           HA       SER  70  10.444  -6.043   0.307
  536    HB2  SER  70           HB3      SER  70   9.559  -3.958   1.304
  537    HB3  SER  70           HB2      SER  70   8.969  -4.187  -0.350
  538    HG   SER  70           HG       SER  70   7.013  -4.785   0.403
  539    H    ARG  71           H        ARG  71  11.121  -5.957   2.554
  540    HA   ARG  71           HA       ARG  71   9.870  -8.001   3.985
  541    HB2  ARG  71           HB3      ARG  71  12.378  -6.501   4.691
  542    HB3  ARG  71           HB2      ARG  71  11.701  -7.821   5.640
  543    HG2  ARG  71           HG3      ARG  71  12.487  -8.017   2.781
  544    HG3  ARG  71           HG2      ARG  71  13.433  -8.650   4.163
  545    HD2  ARG  71           HD3      ARG  71  10.648  -9.457   3.297
  546    HD3  ARG  71           HD2      ARG  71  12.106 -10.431   3.103
  547    HE   ARG  71           HE       ARG  71  11.833  -9.822   5.799
  548   HH11  ARG  71          HH11      ARG  71  10.201 -11.796   3.320
  549   HH12  ARG  71          HH12      ARG  71   9.509 -12.873   4.426
  550   HH21  ARG  71          HH22      ARG  71  10.823 -11.331   7.350
  551   HH22  ARG  71          HH21      ARG  71   9.819 -12.570   6.759
  552    H    ARG  72           H        ARG  72   7.988  -6.774   4.062
  553    HA   ARG  72           HA       ARG  72   7.535  -5.937   6.743
  554    HB2  ARG  72           HB3      ARG  72   7.049  -4.052   4.516
  555    HB3  ARG  72           HB2      ARG  72   5.840  -4.115   5.786
  556    HG2  ARG  72           HG3      ARG  72   8.769  -3.575   6.183
  557    HG3  ARG  72           HG2      ARG  72   7.471  -2.376   6.226
  558    HD2  ARG  72           HD3      ARG  72   6.390  -3.692   8.067
  559    HD3  ARG  72           HD2      ARG  72   7.828  -4.717   8.110
  560    HE   ARG  72           HE       ARG  72   8.556  -2.055   8.267
  561   HH11  ARG  72          HH11      ARG  72   7.159  -4.577  10.438
  562   HH12  ARG  72          HH12      ARG  72   7.515  -3.702  11.830
  563   HH21  ARG  72          HH22      ARG  72   8.956  -0.883  10.122
  564   HH22  ARG  72          HH21      ARG  72   8.615  -1.501  11.684
  565    HA   PRO  73           HA       PRO  73   4.416  -8.953   5.238
  566    HB2  PRO  73           HB2      PRO  73   4.784 -10.661   7.304
  567    HB3  PRO  73           HB3      PRO  73   5.696 -10.758   5.796
  568    HG2  PRO  73           HG3      PRO  73   6.407  -9.448   8.354
  569    HG3  PRO  73           HG2      PRO  73   7.390 -10.574   7.358
  570    HD2  PRO  73           HD3      PRO  73   7.804  -7.941   7.249
  571    HD3  PRO  73           HD2      PRO  73   7.835  -8.936   5.776
  572    H    ASP  74           H        ASP  74   5.119  -7.048   8.050
  573    HA   ASP  74           HA       ASP  74   2.852  -7.685   9.675
  574    HB2  ASP  74           HB3      ASP  74   4.453  -5.101   9.481
  575    HB3  ASP  74           HB2      ASP  74   3.441  -5.593  10.825
  576    H    LEU  75           H        LEU  75   3.678  -5.255   7.551
  577    HA   LEU  75           HA       LEU  75   1.157  -3.929   7.387
  578    HB2  LEU  75           HB3      LEU  75   3.481  -3.777   5.468
  579    HB3  LEU  75           HB2      LEU  75   2.051  -2.815   5.247
  580    HG   LEU  75           HG       LEU  75   2.558  -1.526   7.354
  581   HD11  LEU  75          HD11      LEU  75   5.083  -3.149   7.559
  582   HD12  LEU  75          HD12      LEU  75   3.682  -3.404   8.592
  583   HD13  LEU  75          HD13      LEU  75   4.516  -1.852   8.611
  584   HD21  LEU  75          HD21      LEU  75   4.000  -0.263   6.287
  585   HD22  LEU  75          HD22      LEU  75   3.754  -1.400   4.959
  586   HD23  LEU  75          HD23      LEU  75   5.141  -1.586   6.045
  587    H    LEU  76           H        LEU  76   2.652  -6.075   5.344
  588    HA   LEU  76           HA       LEU  76   0.705  -6.729   3.316
  589    HB2  LEU  76           HB3      LEU  76   2.829  -8.115   3.505
  590    HB3  LEU  76           HB2      LEU  76   1.990  -8.970   4.820
  591    HG   LEU  76           HG       LEU  76   0.162  -9.285   3.087
  592   HD11  LEU  76          HD11      LEU  76   0.804  -7.970   1.428
  593   HD12  LEU  76          HD12      LEU  76   0.762  -9.647   0.876
  594   HD13  LEU  76          HD13      LEU  76   2.310  -8.855   1.215
  595   HD21  LEU  76          HD21      LEU  76   2.492 -10.921   3.716
  596   HD22  LEU  76          HD22      LEU  76   1.696 -11.340   2.190
  597   HD23  LEU  76          HD23      LEU  76   0.771 -11.317   3.689
  598    H    THR  77           H        THR  77   1.065  -8.213   6.342
  599    HA   THR  77           HA       THR  77  -1.126  -9.795   6.679
  600    HB   THR  77           HB       THR  77   0.297  -8.115   8.644
  601    HG1  THR  77           HG1      THR  77   1.650  -9.668   8.090
  602   HG21  THR  77          HG21      THR  77  -2.111  -9.195   9.012
  603   HG22  THR  77          HG22      THR  77  -0.993  -8.625  10.254
  604   HG23  THR  77          HG23      THR  77  -1.038 -10.386   9.810
  605    H    MET  78           H        MET  78  -0.907  -6.421   7.419
  606    HA   MET  78           HA       MET  78  -3.519  -6.045   8.350
  607    HB2  MET  78           HB3      MET  78  -1.708  -4.065   6.982
  608    HB3  MET  78           HB2      MET  78  -3.162  -3.646   7.882
  609    HG2  MET  78           HG3      MET  78  -0.890  -5.174   9.014
  610    HG3  MET  78           HG2      MET  78  -1.008  -3.398   9.193
  611    HE1  MET  78           HE1      MET  78  -1.724  -4.289  12.771
  612    HE2  MET  78           HE2      MET  78  -0.585  -3.732  11.560
  613    HE3  MET  78           HE3      MET  78  -0.720  -5.449  11.886
  614    H    VAL  79           H        VAL  79  -2.202  -5.970   5.092
  615    HA   VAL  79           HA       VAL  79  -4.586  -5.094   3.747
  616    HB   VAL  79           HB       VAL  79  -2.187  -6.639   2.707
  617   HG11  VAL  79          HG11      VAL  79  -4.533  -5.613   1.400
  618   HG12  VAL  79          HG12      VAL  79  -3.292  -6.718   0.823
  619   HG13  VAL  79          HG13      VAL  79  -3.042  -4.963   0.701
  620   HG21  VAL  79          HG21      VAL  79  -2.550  -3.714   3.196
  621   HG22  VAL  79          HG22      VAL  79  -1.448  -4.287   1.949
  622   HG23  VAL  79          HG23      VAL  79  -1.212  -4.770   3.629
  623    H    VAL  80           H        VAL  80  -2.982  -8.199   4.202
  624    HA   VAL  80           HA       VAL  80  -4.855  -9.998   3.078
  625    HB   VAL  80           HB       VAL  80  -3.003 -10.338   5.499
  626   HG11  VAL  80          HG11      VAL  80  -3.203 -12.718   5.219
  627   HG12  VAL  80          HG12      VAL  80  -4.336 -12.502   3.867
  628   HG13  VAL  80          HG13      VAL  80  -4.780 -11.988   5.495
  629   HG21  VAL  80          HG21      VAL  80  -1.379 -10.200   4.001
  630   HG22  VAL  80          HG22      VAL  80  -2.515 -10.243   2.651
  631   HG23  VAL  80          HG23      VAL  80  -1.932 -11.758   3.358
  632    H    ASP  81           H        ASP  81  -4.520  -9.009   6.245
  633    HA   ASP  81           HA       ASP  81  -6.694 -10.119   7.630
  634    HB2  ASP  81           HB3      ASP  81  -5.061  -8.809   8.897
  635    HB3  ASP  81           HB2      ASP  81  -5.602  -7.315   8.143
  636    H    TYR  82           H        TYR  82  -6.479  -7.092   6.094
  637    HA   TYR  82           HA       TYR  82  -9.070  -5.995   6.397
  638    HB2  TYR  82           HB3      TYR  82  -7.377  -4.603   5.641
  639    HB3  TYR  82           HB2      TYR  82  -7.029  -5.631   4.243
  640    HD1  TYR  82           HD2      TYR  82  -9.828  -3.776   5.763
  641    HD2  TYR  82           HD1      TYR  82  -7.839  -5.085   2.322
  642    HE1  TYR  82           HE2      TYR  82 -11.394  -2.435   4.349
  643    HE2  TYR  82           HE1      TYR  82  -9.349  -3.829   0.876
  644    HH   TYR  82           HH       TYR  82 -11.092  -2.496   0.816
  645    H    ARG  83           H        ARG  83  -7.677  -7.781   3.641
  646    HA   ARG  83           HA       ARG  83  -9.890  -7.732   2.066
  647    HB2  ARG  83           HB3      ARG  83  -7.838  -8.202   1.039
  648    HB3  ARG  83           HB2      ARG  83  -7.431  -9.415   2.228
  649    HG2  ARG  83           HG3      ARG  83  -9.663  -9.898   0.377
  650    HG3  ARG  83           HG2      ARG  83  -7.976 -10.140  -0.204
  651    HD2  ARG  83           HD3      ARG  83  -7.658 -11.613   1.723
  652    HD3  ARG  83           HD2      ARG  83  -9.328 -11.405   2.199
  653    HE   ARG  83           HE       ARG  83  -9.184 -12.301  -0.479
  654   HH11  ARG  83          HH11      ARG  83  -8.922 -13.509   2.899
  655   HH12  ARG  83          HH12      ARG  83  -9.221 -15.128   2.446
  656   HH21  ARG  83          HH22      ARG  83  -9.603 -14.597  -1.005
  657   HH22  ARG  83          HH21      ARG  83  -9.617 -15.732   0.268
  658    H    THR  84           H        THR  84  -8.883 -10.023   4.143
  659    HA   THR  84           HA       THR  84 -11.061 -11.870   3.949
  660    HB   THR  84           HB       THR  84  -9.150 -11.409   6.181
  661    HG1  THR  84           HG1      THR  84  -7.801 -12.257   4.846
  662   HG21  THR  84          HG21      THR  84 -11.170 -13.420   5.574
  663   HG22  THR  84          HG22      THR  84 -10.728 -12.641   7.103
  664   HG23  THR  84          HG23      THR  84  -9.674 -13.928   6.438
  665    H    ARG  85           H        ARG  85 -10.352 -10.015   6.517
  666    HA   ARG  85           HA       ARG  85 -12.529 -10.225   8.039
  667    HB2  ARG  85           HB3      ARG  85 -11.965  -8.384   9.530
  668    HB3  ARG  85           HB2      ARG  85 -10.517  -9.208   8.999
  669    HG2  ARG  85           HG3      ARG  85  -9.754  -7.056   8.853
  670    HG3  ARG  85           HG2      ARG  85 -10.545  -7.062   7.290
  671    HD2  ARG  85           HD3      ARG  85 -12.480  -6.160   8.168
  672    HD3  ARG  85           HD2      ARG  85 -11.855  -6.236   9.816
  673    HE   ARG  85           HE       ARG  85 -11.591  -4.033   8.185
  674   HH11  ARG  85          HH11      ARG  85  -8.968  -6.116   9.636
  675   HH12  ARG  85          HH12      ARG  85  -7.951  -4.817   9.925
  676   HH21  ARG  85          HH22      ARG  85 -10.203  -2.340   8.657
  677   HH22  ARG  85          HH21      ARG  85  -8.659  -2.554   9.376
  678    H    VAL  86           H        VAL  86 -12.106  -7.753   6.021
  679    HA   VAL  86           HA       VAL  86 -14.755  -6.631   6.081
  680    HB   VAL  86           HB       VAL  86 -12.729  -6.380   3.858
  681   HG11  VAL  86          HG11      VAL  86 -15.419  -5.080   4.264
  682   HG12  VAL  86          HG12      VAL  86 -14.714  -5.650   2.753
  683   HG13  VAL  86          HG13      VAL  86 -14.133  -4.153   3.493
  684   HG21  VAL  86          HG21      VAL  86 -12.416  -4.118   4.904
  685   HG22  VAL  86          HG22      VAL  86 -11.918  -5.511   5.859
  686   HG23  VAL  86          HG23      VAL  86 -13.434  -4.697   6.238
  687    H    LEU  87           H        LEU  87 -13.405  -9.194   4.163
  688    HA   LEU  87           HA       LEU  87 -15.508  -9.741   2.350
  689    HB2  LEU  87           HB3      LEU  87 -13.121 -10.538   2.334
  690    HB3  LEU  87           HB2      LEU  87 -13.434 -11.483   3.743
  691    HG   LEU  87           HG       LEU  87 -13.116 -12.825   1.864
  692   HD11  LEU  87          HD11      LEU  87 -14.726 -14.361   2.139
  693   HD12  LEU  87          HD12      LEU  87 -16.042 -13.164   2.124
  694   HD13  LEU  87          HD13      LEU  87 -15.006 -13.330   3.546
  695   HD21  LEU  87          HD21      LEU  87 -14.437 -12.776  -0.155
  696   HD22  LEU  87          HD22      LEU  87 -13.672 -11.219   0.165
  697   HD23  LEU  87          HD23      LEU  87 -15.401 -11.423   0.476
  698    H    LYS  88           H        LYS  88 -14.614 -10.980   5.498
  699    HA   LYS  88           HA       LYS  88 -16.780 -12.650   6.041
  700    HB2  LYS  88           HB3      LYS  88 -14.613 -12.733   7.276
  701    HB3  LYS  88           HB2      LYS  88 -15.045 -11.233   8.104
  702    HG2  LYS  88           HG3      LYS  88 -15.368 -13.120   9.575
  703    HG3  LYS  88           HG2      LYS  88 -16.928 -12.424   9.154
  704    HD2  LYS  88           HD3      LYS  88 -17.318 -14.189   7.541
  705    HD3  LYS  88           HD2      LYS  88 -15.711 -14.867   7.862
  706    HE2  LYS  88           HE3      LYS  88 -16.402 -15.239  10.225
  707    HE3  LYS  88           HE2      LYS  88 -17.994 -14.622   9.826
  708    HZ1  LYS  88           HZ1      LYS  88 -17.621 -17.118   9.868
  709    HZ2  LYS  88           HZ2      LYS  88 -16.911 -16.956   8.357
  710    HZ3  LYS  88           HZ3      LYS  88 -18.520 -16.499   8.610
  711    H    ILE  89           H        ILE  89 -16.472  -9.187   6.517
  712    HA   ILE  89           HA       ILE  89 -18.714  -8.808   8.206
  713    HB   ILE  89           HB       ILE  89 -16.981  -7.087   6.483
  714   HG12  ILE  89          HG13      ILE  89 -17.273  -7.233   9.487
  715   HG13  ILE  89          HG12      ILE  89 -15.932  -7.856   8.526
  716   HG21  ILE  89          HG21      ILE  89 -19.268  -6.058   8.095
  717   HG22  ILE  89          HG22      ILE  89 -19.071  -6.162   6.322
  718   HG23  ILE  89          HG23      ILE  89 -18.006  -5.097   7.266
  719   HD11  ILE  89          HD11      ILE  89 -16.508  -5.004   8.186
  720   HD12  ILE  89          HD12      ILE  89 -14.972  -5.848   8.321
  721   HD13  ILE  89          HD13      ILE  89 -15.910  -5.480   9.778
  722    H    SER  90           H        SER  90 -18.012  -8.532   4.768
  723    HA   SER  90           HA       SER  90 -20.656  -7.605   4.127
  724    HB2  SER  90           HB3      SER  90 -18.367  -8.449   2.391
  725    HB3  SER  90           HB2      SER  90 -19.798  -7.529   1.872
  726    HG   SER  90           HG       SER  90 -17.636  -6.764   3.465
  Start of MODEL   17
    1    H1   MET   1           H        MET   1 -15.697   1.237   0.098
    2    H2   MET   1           H2       MET   1 -15.048   0.405   1.397
    3    H3   MET   1           H3       MET   1 -16.140   1.640   1.667
    4    HA   MET   1           HA       MET   1 -13.393   1.828   0.581
    5    HB2  MET   1           HB3      MET   1 -15.403   4.049   0.844
    6    HB3  MET   1           HB2      MET   1 -13.689   4.320   0.565
    7    HG2  MET   1           HG3      MET   1 -13.866   3.068  -1.536
    8    HG3  MET   1           HG2      MET   1 -15.595   2.881  -1.264
    9    HE1  MET   1           HE1      MET   1 -16.545   6.741  -1.023
   10    HE2  MET   1           HE2      MET   1 -16.506   5.302  -0.024
   11    HE3  MET   1           HE3      MET   1 -17.391   5.284  -1.544
   12    H    ALA   2           H        ALA   2 -15.418   2.741   3.206
   13    HA   ALA   2           HA       ALA   2 -13.354   4.092   4.608
   14    HB1  ALA   2           HB1      ALA   2 -15.254   4.646   5.810
   15    HB2  ALA   2           HB2      ALA   2 -14.852   3.201   6.752
   16    HB3  ALA   2           HB3      ALA   2 -16.002   3.099   5.429
   17    H    GLU   3           H        GLU   3 -14.379   0.923   5.474
   18    HA   GLU   3           HA       GLU   3 -12.423   0.170   7.104
   19    HB2  GLU   3           HB3      GLU   3 -13.519  -1.532   4.843
   20    HB3  GLU   3           HB2      GLU   3 -12.741  -2.176   6.301
   21    HG2  GLU   3           HG3      GLU   3 -14.420  -1.469   7.661
   22    HG3  GLU   3           HG2      GLU   3 -15.139  -0.364   6.494
   23    H    TYR   4           H        TYR   4 -12.303   0.084   3.900
   24    HA   TYR   4           HA       TYR   4  -9.571  -0.724   3.381
   25    HB2  TYR   4           HB3      TYR   4 -11.129  -0.658   1.460
   26    HB3  TYR   4           HB2      TYR   4 -11.029   1.111   1.385
   27    HD1  TYR   4           HD1      TYR   4  -8.576  -1.684   1.673
   28    HD2  TYR   4           HD2      TYR   4  -9.763   1.750  -0.566
   29    HE1  TYR   4           HE1      TYR   4  -6.709  -2.042   0.134
   30    HE2  TYR   4           HE2      TYR   4  -7.900   1.396  -2.080
   31    HH   TYR   4           HH       TYR   4  -6.469  -0.456  -2.838
   32    H    GLY   5           H        GLY   5 -11.019   2.347   3.577
   33    HA2  GLY   5           HA3      GLY   5  -8.921   4.217   3.362
   34    HA3  GLY   5           HA2      GLY   5 -10.306   4.487   4.410
   35    H    THR   6           H        THR   6 -10.037   2.643   6.421
   36    HA   THR   6           HA       THR   6  -7.991   3.654   8.088
   37    HB   THR   6           HB       THR   6  -9.347   1.005   8.260
   38    HG1  THR   6           HG1      THR   6 -10.446   3.626   8.763
   39   HG21  THR   6          HG21      THR   6  -8.649   0.979  10.350
   40   HG22  THR   6          HG22      THR   6  -9.096   2.687  10.623
   41   HG23  THR   6          HG23      THR   6  -7.585   2.289   9.777
   42    H    LEU   7           H        LEU   7  -8.433   0.812   6.366
   43    HA   LEU   7           HA       LEU   7  -6.223  -0.736   6.990
   44    HB2  LEU   7           HB3      LEU   7  -7.711  -1.653   5.357
   45    HB3  LEU   7           HB2      LEU   7  -7.262  -0.437   4.174
   46    HG   LEU   7           HG       LEU   7  -4.976  -1.377   4.187
   47   HD11  LEU   7          HD11      LEU   7  -4.491  -2.589   5.921
   48   HD12  LEU   7          HD12      LEU   7  -5.230  -3.919   5.012
   49   HD13  LEU   7          HD13      LEU   7  -6.167  -3.019   6.214
   50   HD21  LEU   7          HD21      LEU   7  -5.499  -2.681   2.426
   51   HD22  LEU   7          HD22      LEU   7  -7.125  -2.075   2.717
   52   HD23  LEU   7          HD23      LEU   7  -6.653  -3.648   3.341
   53    H    LEU   8           H        LEU   8  -6.238   1.415   4.444
   54    HA   LEU   8           HA       LEU   8  -3.440   1.556   3.765
   55    HB2  LEU   8           HB3      LEU   8  -5.422   3.836   3.426
   56    HB3  LEU   8           HB2      LEU   8  -3.711   3.895   2.995
   57    HG   LEU   8           HG       LEU   8  -3.990   2.341   1.218
   58   HD11  LEU   8          HD11      LEU   8  -5.748   0.979   2.520
   59   HD12  LEU   8          HD12      LEU   8  -5.830   1.025   0.765
   60   HD13  LEU   8          HD13      LEU   8  -6.911   2.041   1.728
   61   HD21  LEU   8          HD21      LEU   8  -5.685   4.681   1.404
   62   HD22  LEU   8          HD22      LEU   8  -6.215   3.523   0.172
   63   HD23  LEU   8          HD23      LEU   8  -4.574   4.144   0.127
   64    H    GLN   9           H        GLN   9  -5.282   3.290   6.074
   65    HA   GLN   9           HA       GLN   9  -3.252   4.944   7.058
   66    HB2  GLN   9           HB3      GLN   9  -5.324   5.876   7.070
   67    HB3  GLN   9           HB2      GLN   9  -6.085   4.376   7.572
   68    HG2  GLN   9           HG3      GLN   9  -5.770   4.651   9.553
   69    HG3  GLN   9           HG2      GLN   9  -4.270   5.663   9.510
   70   HE21  GLN   9          HE22      GLN   9  -4.602   7.740   9.676
   71   HE22  GLN   9          HE21      GLN   9  -6.126   8.580   9.740
   72    H    ASP  10           H        ASP  10  -4.207   2.078   7.791
   73    HA   ASP  10           HA       ASP  10  -3.008   1.955  10.428
   74    HB2  ASP  10           HB3      ASP  10  -4.671  -0.245   9.312
   75    HB3  ASP  10           HB2      ASP  10  -3.475  -0.606  10.559
   76    H    LEU  11           H        LEU  11  -2.164   0.894   7.266
   77    HA   LEU  11           HA       LEU  11   0.192  -0.221   8.317
   78    HB2  LEU  11           HB3      LEU  11   0.829  -0.669   6.028
   79    HB3  LEU  11           HB2      LEU  11  -0.719  -1.408   6.443
   80    HG   LEU  11           HG       LEU  11  -1.630   0.694   5.229
   81   HD11  LEU  11          HD11      LEU  11   1.031   1.155   5.125
   82   HD12  LEU  11          HD12      LEU  11  -0.201   2.006   4.196
   83   HD13  LEU  11          HD13      LEU  11   0.668   0.629   3.486
   84   HD21  LEU  11          HD21      LEU  11  -1.054  -0.735   2.985
   85   HD22  LEU  11          HD22      LEU  11  -2.253  -1.221   4.178
   86   HD23  LEU  11          HD23      LEU  11  -0.681  -1.929   4.253
   87    H    THR  12           H        THR  12  -0.995   2.608   7.073
   88    HA   THR  12           HA       THR  12   1.368   4.116   6.579
   89    HB   THR  12           HB       THR  12  -1.481   4.805   7.077
   90    HG1  THR  12           HG1      THR  12  -1.183   4.047   5.134
   91   HG21  THR  12          HG21      THR  12  -0.296   6.941   5.876
   92   HG22  THR  12          HG22      THR  12   0.692   6.603   7.332
   93   HG23  THR  12          HG23      THR  12  -1.083   6.859   7.487
   94    H    ASN  13           H        ASN  13  -0.554   3.564   9.487
   95    HA   ASN  13           HA       ASN  13   0.866   5.339  11.189
   96    HB2  ASN  13           HB3      ASN  13  -0.590   2.769  11.984
   97    HB3  ASN  13           HB2      ASN  13   0.069   3.959  13.084
   98   HD21  ASN  13          HD22      ASN  13  -2.752   2.892  11.921
   99   HD22  ASN  13          HD21      ASN  13  -3.663   4.329  11.956
  100    H    ASN  14           H        ASN  14   1.374   2.063  10.136
  101    HA   ASN  14           HA       ASN  14   3.750   1.816  11.825
  102    HB2  ASN  14           HB3      ASN  14   2.396  -0.226  10.020
  103    HB3  ASN  14           HB2      ASN  14   3.803  -0.521  11.017
  104   HD21  ASN  14          HD22      ASN  14   0.461  -0.643  10.979
  105   HD22  ASN  14          HD21      ASN  14   0.229  -0.791  12.675
  106    H    ILE  15           H        ILE  15   3.253   3.292   9.078
  107    HA   ILE  15           HA       ILE  15   5.435   2.224   7.575
  108    HB   ILE  15           HB       ILE  15   3.230   4.056   6.984
  109   HG12  ILE  15          HG13      ILE  15   3.344   1.746   6.197
  110   HG13  ILE  15          HG12      ILE  15   3.188   2.886   4.873
  111   HG21  ILE  15          HG21      ILE  15   4.217   5.696   6.037
  112   HG22  ILE  15          HG22      ILE  15   4.849   4.551   4.838
  113   HG23  ILE  15          HG23      ILE  15   5.815   4.962   6.262
  114   HD11  ILE  15          HD11      ILE  15   5.696   1.414   5.715
  115   HD12  ILE  15          HD12      ILE  15   5.693   2.774   4.605
  116   HD13  ILE  15          HD13      ILE  15   4.830   1.321   4.170
  117    H    THR  16           H        THR  16   7.479   2.715   7.914
  118    HA   THR  16           HA       THR  16   8.138   5.270   9.017
  119    HB   THR  16           HB       THR  16  10.393   4.419   9.204
  120    HG1  THR  16           HG1      THR  16   9.601   1.821   8.581
  121   HG21  THR  16          HG21      THR  16  10.091   2.924  10.889
  122   HG22  THR  16          HG22      THR  16   8.560   2.370  10.145
  123   HG23  THR  16          HG23      THR  16   8.670   4.017  10.861
  124    H    LEU  17           H        LEU  17   9.552   6.399   8.020
  125    HA   LEU  17           HA       LEU  17   9.410   6.853   5.241
  126    HB2  LEU  17           HB3      LEU  17  11.671   7.568   7.015
  127    HB3  LEU  17           HB2      LEU  17  11.735   7.922   5.295
  128    HG   LEU  17           HG       LEU  17  11.048   9.824   6.332
  129   HD11  LEU  17          HD11      LEU  17   9.818   8.766   4.305
  130   HD12  LEU  17          HD12      LEU  17   9.404  10.374   4.909
  131   HD13  LEU  17          HD13      LEU  17   8.411   8.983   5.342
  132   HD21  LEU  17          HD21      LEU  17   8.652   9.714   7.529
  133   HD22  LEU  17          HD22      LEU  17  10.153   9.538   8.429
  134   HD23  LEU  17          HD23      LEU  17   9.236   8.102   7.933
  135    H    GLU  18           H        GLU  18  11.778   5.079   7.004
  136    HA   GLU  18           HA       GLU  18  13.279   4.055   4.888
  137    HB2  GLU  18           HB3      GLU  18  12.741   2.771   7.580
  138    HB3  GLU  18           HB2      GLU  18  14.107   2.401   6.546
  139    HG2  GLU  18           HG3      GLU  18  14.934   4.659   6.724
  140    HG3  GLU  18           HG2      GLU  18  13.551   5.133   7.695
  141    H    ASP  19           H        ASP  19  10.711   2.598   6.531
  142    HA   ASP  19           HA       ASP  19  10.294   0.222   4.964
  143    HB2  ASP  19           HB3      ASP  19   8.284   1.866   6.535
  144    HB3  ASP  19           HB2      ASP  19   7.800   0.392   5.662
  145    H    LEU  20           H        LEU  20   8.552   3.277   4.555
  146    HA   LEU  20           HA       LEU  20   7.563   2.647   2.173
  147    HB2  LEU  20           HB3      LEU  20   8.335   5.226   3.189
  148    HB3  LEU  20           HB2      LEU  20   7.885   5.119   1.484
  149    HG   LEU  20           HG       LEU  20   6.142   4.337   3.829
  150   HD11  LEU  20          HD11      LEU  20   4.954   6.240   2.231
  151   HD12  LEU  20          HD12      LEU  20   6.636   6.752   2.325
  152   HD13  LEU  20          HD13      LEU  20   5.708   6.503   3.806
  153   HD21  LEU  20          HD21      LEU  20   4.804   3.216   2.366
  154   HD22  LEU  20          HD22      LEU  20   6.142   3.304   1.236
  155   HD23  LEU  20          HD23      LEU  20   4.885   4.537   1.204
  156    H    GLU  21           H        GLU  21  10.696   3.972   2.637
  157    HA   GLU  21           HA       GLU  21  11.329   4.147  -0.102
  158    HB2  GLU  21           HB3      GLU  21  13.251   3.677   2.167
  159    HB3  GLU  21           HB2      GLU  21  13.740   3.950   0.516
  160    HG2  GLU  21           HG3      GLU  21  12.647   6.221   0.644
  161    HG3  GLU  21           HG2      GLU  21  12.348   5.912   2.350
  162    H    GLN  22           H        GLN  22  11.507   1.668   2.134
  163    HA   GLN  22           HA       GLN  22  12.805  -0.219   0.438
  164    HB2  GLN  22           HB3      GLN  22  12.789  -0.534   2.898
  165    HB3  GLN  22           HB2      GLN  22  11.061  -0.900   2.813
  166    HG2  GLN  22           HG3      GLN  22  12.204  -3.012   2.882
  167    HG3  GLN  22           HG2      GLN  22  11.624  -2.646   1.239
  168   HE21  GLN  22          HE22      GLN  22  12.715  -3.197  -0.123
  169   HE22  GLN  22          HE21      GLN  22  14.459  -3.219  -0.261
  170    H    LEU  23           H        LEU  23   9.282   0.279   1.172
  171    HA   LEU  23           HA       LEU  23   8.364  -1.626  -0.526
  172    HB2  LEU  23           HB3      LEU  23   7.284   1.089   0.257
  173    HB3  LEU  23           HB2      LEU  23   6.340  -0.165  -0.551
  174    HG   LEU  23           HG       LEU  23   7.560  -0.320   2.183
  175   HD11  LEU  23          HD11      LEU  23   5.772   1.293   2.051
  176   HD12  LEU  23          HD12      LEU  23   5.249  -0.137   2.945
  177   HD13  LEU  23          HD13      LEU  23   4.732   0.099   1.264
  178   HD21  LEU  23          HD21      LEU  23   6.746  -2.388   0.508
  179   HD22  LEU  23          HD22      LEU  23   5.409  -2.146   1.639
  180   HD23  LEU  23          HD23      LEU  23   7.032  -2.483   2.238
  181    H    LYS  24           H        LYS  24   9.218   1.523  -0.913
  182    HA   LYS  24           HA       LYS  24   8.595   1.995  -3.715
  183    HB2  LYS  24           HB3      LYS  24  10.789   3.440  -2.203
  184    HB3  LYS  24           HB2      LYS  24  10.278   3.869  -3.814
  185    HG2  LYS  24           HG3      LYS  24   8.542   4.069  -1.329
  186    HG3  LYS  24           HG2      LYS  24   9.372   5.406  -2.104
  187    HD2  LYS  24           HD3      LYS  24   7.073   5.481  -2.713
  188    HD3  LYS  24           HD2      LYS  24   7.970   4.925  -4.107
  189    HE2  LYS  24           HE3      LYS  24   5.911   3.679  -3.807
  190    HE3  LYS  24           HE2      LYS  24   7.307   2.614  -3.585
  191    HZ1  LYS  24           HZ1      LYS  24   5.389   3.598  -1.640
  192    HZ2  LYS  24           HZ2      LYS  24   6.981   3.351  -1.105
  193    HZ3  LYS  24           HZ3      LYS  24   6.064   2.066  -1.771
  194    H    SER  25           H        SER  25  11.187   1.125  -2.316
  195    HA   SER  25           HA       SER  25  13.077   0.508  -4.376
  196    HB2  SER  25           HB3      SER  25  13.032  -1.039  -1.716
  197    HB3  SER  25           HB2      SER  25  14.334  -1.161  -2.904
  198    HG   SER  25           HG       SER  25  13.474   1.116  -1.475
  199    H    ALA  26           H        ALA  26  10.941  -1.520  -2.901
  200    HA   ALA  26           HA       ALA  26  10.996  -3.660  -4.822
  201    HB1  ALA  26           HB1      ALA  26   9.605  -4.671  -3.333
  202    HB2  ALA  26           HB2      ALA  26   8.350  -3.505  -3.723
  203    HB3  ALA  26           HB3      ALA  26   9.525  -3.141  -2.458
  204    H    CYS  27           H        CYS  27   8.806  -0.822  -4.482
  205    HA   CYS  27           HA       CYS  27   7.386  -1.346  -6.809
  206    HB2  CYS  27           HB3      CYS  27   7.753   1.243  -5.379
  207    HB3  CYS  27           HB2      CYS  27   6.539   0.821  -6.582
  208    HG   CYS  27           HG       CYS  27   6.585  -1.156  -3.901
  209    H    LYS  28           H        LYS  28  10.575  -0.342  -6.759
  210    HA   LYS  28           HA       LYS  28  10.629   2.020  -8.000
  211    HB2  LYS  28           HB3      LYS  28  12.935   1.518  -8.693
  212    HB3  LYS  28           HB2      LYS  28  12.556   0.843  -7.117
  213    HG2  LYS  28           HG3      LYS  28  12.397  -1.327  -7.946
  214    HG3  LYS  28           HG2      LYS  28  12.541  -0.769  -9.625
  215    HD2  LYS  28           HD3      LYS  28  14.797   0.117  -9.097
  216    HD3  LYS  28           HD2      LYS  28  14.613  -0.493  -7.459
  217    HE2  LYS  28           HE3      LYS  28  14.584  -2.765  -8.244
  218    HE3  LYS  28           HE2      LYS  28  14.554  -2.241  -9.923
  219    HZ1  LYS  28           HZ1      LYS  28  16.682  -1.395  -9.788
  220    HZ2  LYS  28           HZ2      LYS  28  16.850  -2.879  -9.007
  221    HZ3  LYS  28           HZ3      LYS  28  16.752  -1.440  -8.114
  222    H    GLU  29           H        GLU  29  10.130  -1.017  -9.550
  223    HA   GLU  29           HA       GLU  29  10.286   0.007 -12.163
  224    HB2  GLU  29           HB3      GLU  29   9.061  -2.538 -11.180
  225    HB3  GLU  29           HB2      GLU  29   9.385  -2.168 -12.878
  226    HG2  GLU  29           HG3      GLU  29  11.409  -2.237 -10.719
  227    HG3  GLU  29           HG2      GLU  29  11.171  -3.609 -11.827
  228    H    ASP  30           H        ASP  30   7.641  -0.506  -9.883
  229    HA   ASP  30           HA       ASP  30   5.618   0.158 -11.809
  230    HB2  ASP  30           HB3      ASP  30   5.528  -0.967  -9.110
  231    HB3  ASP  30           HB2      ASP  30   4.151   0.000  -9.595
  232    H    ILE  31           H        ILE  31   6.848   1.804  -8.941
  233    HA   ILE  31           HA       ILE  31   4.979   3.881  -9.708
  234    HB   ILE  31           HB       ILE  31   4.956   2.927  -7.337
  235   HG12  ILE  31          HG13      ILE  31   4.000   5.209  -7.731
  236   HG13  ILE  31          HG12      ILE  31   4.629   4.967  -6.110
  237   HG21  ILE  31          HG21      ILE  31   6.541   3.675  -5.748
  238   HG22  ILE  31          HG22      ILE  31   7.509   4.401  -7.041
  239   HG23  ILE  31          HG23      ILE  31   7.257   2.629  -6.991
  240   HD11  ILE  31          HD11      ILE  31   6.290   6.422  -6.410
  241   HD12  ILE  31          HD12      ILE  31   5.068   7.174  -7.441
  242   HD13  ILE  31          HD13      ILE  31   6.350   6.173  -8.179
  243    HA   PRO  32           HA       PRO  32   8.194   5.694 -11.736
  244    HB2  PRO  32           HB2      PRO  32   6.915   8.342 -11.281
  245    HB3  PRO  32           HB3      PRO  32   7.414   7.577 -12.800
  246    HG2  PRO  32           HG3      PRO  32   4.858   7.633 -12.069
  247    HG3  PRO  32           HG2      PRO  32   5.553   6.212 -12.881
  248    HD2  PRO  32           HD3      PRO  32   4.931   6.651 -10.002
  249    HD3  PRO  32           HD2      PRO  32   4.707   5.185 -10.987
  250    H    SER  33           H        SER  33   9.977   6.638 -11.535
  251    HA   SER  33           HA       SER  33  11.430   7.024  -9.110
  252    HB2  SER  33           HB3      SER  33  12.673   6.783 -11.278
  253    HB3  SER  33           HB2      SER  33  12.149   8.395 -11.741
  254    HG   SER  33           HG       SER  33  13.340   8.931  -9.566
  255    H    GLU  34           H        GLU  34  10.266   9.365 -11.208
  256    HA   GLU  34           HA       GLU  34  10.434  11.938 -10.183
  257    HB2  GLU  34           HB3      GLU  34   9.172  11.282 -12.216
  258    HB3  GLU  34           HB2      GLU  34   7.875  10.669 -11.205
  259    HG2  GLU  34           HG3      GLU  34   7.104  12.743 -11.945
  260    HG3  GLU  34           HG2      GLU  34   7.724  12.980 -10.306
  261    H    LYS  35           H        LYS  35   8.090   9.771  -9.553
  262    HA   LYS  35           HA       LYS  35   6.967  11.171  -7.335
  263    HB2  LYS  35           HB3      LYS  35   6.028   8.686  -8.666
  264    HB3  LYS  35           HB2      LYS  35   5.143   9.482  -7.353
  265    HG2  LYS  35           HG3      LYS  35   5.963  10.765  -9.946
  266    HG3  LYS  35           HG2      LYS  35   4.339  10.152  -9.592
  267    HD2  LYS  35           HD3      LYS  35   4.263  11.588  -7.650
  268    HD3  LYS  35           HD2      LYS  35   5.834  12.256  -8.023
  269    HE2  LYS  35           HE3      LYS  35   4.954  13.197 -10.101
  270    HE3  LYS  35           HE2      LYS  35   3.337  12.559  -9.648
  271    HZ1  LYS  35           HZ1      LYS  35   4.907  14.749  -8.403
  272    HZ2  LYS  35           HZ2      LYS  35   3.883  13.837  -7.465
  273    HZ3  LYS  35           HZ3      LYS  35   3.271  14.764  -8.759
  274    H    SER  36           H        SER  36   8.368   7.915  -7.386
  275    HA   SER  36           HA       SER  36   8.061   7.192  -4.829
  276    HB2  SER  36           HB3      SER  36   8.921   5.833  -6.489
  277    HB3  SER  36           HB2      SER  36  10.364   6.818  -6.747
  278    HG   SER  36           HG       SER  36  11.244   5.663  -5.344
  279    H    GLU  37           H        GLU  37  10.154   9.312  -5.980
  280    HA   GLU  37           HA       GLU  37  11.803   9.848  -3.637
  281    HB2  GLU  37           HB3      GLU  37  11.602  11.619  -6.089
  282    HB3  GLU  37           HB2      GLU  37  12.706  11.935  -4.744
  283    HG2  GLU  37           HG3      GLU  37  13.800   9.792  -5.108
  284    HG3  GLU  37           HG2      GLU  37  12.663   9.407  -6.389
  285    H    GLU  38           H        GLU  38   9.116  11.328  -4.734
  286    HA   GLU  38           HA       GLU  38   8.916  13.276  -2.530
  287    HB2  GLU  38           HB3      GLU  38   6.779  14.198  -3.237
  288    HB3  GLU  38           HB2      GLU  38   7.827  14.012  -4.619
  289    HG2  GLU  38           HG3      GLU  38   6.605  12.062  -5.340
  290    HG3  GLU  38           HG2      GLU  38   5.612  12.114  -3.898
  291    H    ILE  39           H        ILE  39   8.080  10.150  -2.612
  292    HA   ILE  39           HA       ILE  39   5.765  10.213  -0.969
  293    HB   ILE  39           HB       ILE  39   7.460   7.886  -1.904
  294   HG12  ILE  39          HG13      ILE  39   4.741   8.882  -2.783
  295   HG13  ILE  39          HG12      ILE  39   6.260   9.212  -3.621
  296   HG21  ILE  39          HG21      ILE  39   4.753   7.802  -0.565
  297   HG22  ILE  39          HG22      ILE  39   6.278   7.297   0.165
  298   HG23  ILE  39          HG23      ILE  39   5.653   6.422  -1.226
  299   HD11  ILE  39          HD11      ILE  39   4.656   7.402  -4.360
  300   HD12  ILE  39          HD12      ILE  39   5.381   6.432  -3.066
  301   HD13  ILE  39          HD13      ILE  39   6.405   7.077  -4.356
  302    H    THR  40           H        THR  40   7.090  11.569   0.487
  303    HA   THR  40           HA       THR  40   8.519  10.109   2.565
  304    HB   THR  40           HB       THR  40   9.462  12.187   1.915
  305    HG1  THR  40           HG1      THR  40   8.328  12.206   4.474
  306   HG21  THR  40          HG21      THR  40   8.189  14.364   2.171
  307   HG22  THR  40          HG22      THR  40   6.744  13.367   2.450
  308   HG23  THR  40          HG23      THR  40   7.600  13.248   0.927
  309    H    THR  41           H        THR  41   5.615   9.659   2.218
  310    HA   THR  41           HA       THR  41   5.084   9.300   4.832
  311    HB   THR  41           HB       THR  41   4.393  11.424   5.118
  312    HG1  THR  41           HG1      THR  41   2.280  11.236   5.853
  313   HG21  THR  41          HG21      THR  41   2.556  11.210   2.771
  314   HG22  THR  41          HG22      THR  41   3.966  12.261   2.929
  315   HG23  THR  41          HG23      THR  41   2.518  12.572   3.901
  316    H    GLY  42           H        GLY  42   3.345   7.964   5.287
  317    HA2  GLY  42           HA3      GLY  42   3.172   5.986   3.259
  318    HA3  GLY  42           HA2      GLY  42   2.165   5.974   4.718
  319    H    SER  43           H        SER  43   0.526   8.175   4.481
  320    HA   SER  43           HA       SER  43  -1.345   7.635   2.717
  321    HB2  SER  43           HB3      SER  43  -0.470  10.302   3.851
  322    HB3  SER  43           HB2      SER  43  -2.082   9.900   3.249
  323    HG   SER  43           HG       SER  43  -2.445   9.343   5.208
  324    H    ALA  44           H        ALA  44   1.388   9.644   2.336
  325    HA   ALA  44           HA       ALA  44   0.841  11.027  -0.096
  326    HB1  ALA  44           HB1      ALA  44   3.550  10.349  -0.413
  327    HB2  ALA  44           HB2      ALA  44   3.300  10.569   1.327
  328    HB3  ALA  44           HB3      ALA  44   2.908  11.864   0.210
  329    H    TRP  45           H        TRP  45   2.442   7.888   0.225
  330    HA   TRP  45           HA       TRP  45   2.522   7.379  -2.549
  331    HB2  TRP  45           HB3      TRP  45   3.808   6.107  -0.777
  332    HB3  TRP  45           HB2      TRP  45   2.304   5.360  -0.297
  333    HD1  TRP  45           HD1      TRP  45   3.783   5.685  -3.936
  334    HE1  TRP  45           HE1      TRP  45   3.823   3.261  -4.879
  335    HE3  TRP  45           HE3      TRP  45   2.255   3.083   0.166
  336    HZ2  TRP  45           HZ2      TRP  45   3.403   0.730  -4.067
  337    HZ3  TRP  45           HZ3      TRP  45   2.149   0.641   0.024
  338    HH2  TRP  45           HH2      TRP  45   2.724  -0.505  -2.087
  339    H    PHE  46           H        PHE  46   0.163   6.284  -0.182
  340    HA   PHE  46           HA       PHE  46  -1.374   5.048  -2.127
  341    HB2  PHE  46           HB3      PHE  46  -2.466   6.402   0.317
  342    HB3  PHE  46           HB2      PHE  46  -3.404   5.333  -0.708
  343    HD1  PHE  46           HD1      PHE  46  -2.238   3.062  -1.196
  344    HD2  PHE  46           HD2      PHE  46  -1.541   5.504   2.213
  345    HE1  PHE  46           HE1      PHE  46  -1.609   1.090   0.056
  346    HE2  PHE  46           HE2      PHE  46  -0.921   3.552   3.516
  347    HZ   PHE  46           HZ       PHE  46  -0.958   1.280   2.397
  348    H    SER  47           H        SER  47  -1.778   8.122  -0.864
  349    HA   SER  47           HA       SER  47  -3.835   9.137  -2.575
  350    HB2  SER  47           HB3      SER  47  -1.737  10.854  -1.208
  351    HB3  SER  47           HB2      SER  47  -3.218  11.459  -1.949
  352    HG   SER  47           HG       SER  47  -4.354  10.140  -0.420
  353    H    PHE  48           H        PHE  48  -0.430   9.018  -3.239
  354    HA   PHE  48           HA       PHE  48  -0.570  10.538  -5.685
  355    HB2  PHE  48           HB3      PHE  48   1.615  10.152  -4.704
  356    HB3  PHE  48           HB2      PHE  48   1.306   8.426  -4.627
  357    HD1  PHE  48           HD1      PHE  48   1.148  11.097  -7.193
  358    HD2  PHE  48           HD2      PHE  48   2.293   7.170  -6.160
  359    HE1  PHE  48           HE1      PHE  48   1.858  10.715  -9.498
  360    HE2  PHE  48           HE2      PHE  48   3.072   6.763  -8.471
  361    HZ   PHE  48           HZ       PHE  48   2.855   8.537 -10.136
  362    H    LEU  49           H        LEU  49  -0.363   7.081  -4.834
  363    HA   LEU  49           HA       LEU  49  -0.533   5.953  -7.216
  364    HB2  LEU  49           HB3      LEU  49  -0.158   5.280  -4.791
  365    HB3  LEU  49           HB2      LEU  49  -1.881   4.894  -4.821
  366    HG   LEU  49           HG       LEU  49  -1.381   3.164  -6.597
  367   HD11  LEU  49          HD11      LEU  49   0.842   4.751  -6.914
  368   HD12  LEU  49          HD12      LEU  49   0.635   3.171  -7.634
  369   HD13  LEU  49          HD13      LEU  49   1.492   3.345  -6.077
  370   HD21  LEU  49          HD21      LEU  49  -0.984   2.960  -3.902
  371   HD22  LEU  49          HD22      LEU  49   0.616   2.551  -4.508
  372   HD23  LEU  49          HD23      LEU  49  -0.767   1.623  -5.030
  373    H    GLU  50           H        GLU  50  -3.057   6.310  -4.933
  374    HA   GLU  50           HA       GLU  50  -5.490   5.660  -6.174
  375    HB2  GLU  50           HB3      GLU  50  -5.289   8.170  -4.494
  376    HB3  GLU  50           HB2      GLU  50  -6.762   7.305  -4.857
  377    HG2  GLU  50           HG3      GLU  50  -6.030   5.465  -3.467
  378    HG3  GLU  50           HG2      GLU  50  -4.507   6.316  -3.148
  379    H    SER  51           H        SER  51  -4.076   8.468  -6.125
  380    HA   SER  51           HA       SER  51  -5.682  10.060  -7.910
  381    HB2  SER  51           HB3      SER  51  -2.729  10.620  -7.478
  382    HB3  SER  51           HB2      SER  51  -3.827  11.696  -8.360
  383    HG   SER  51           HG       SER  51  -3.820  10.965  -5.649
  384    H    HIS  52           H        HIS  52  -3.120   7.829  -8.631
  385    HA   HIS  52           HA       HIS  52  -3.839   8.188 -11.455
  386    HB2  HIS  52           HB3      HIS  52  -1.381   6.938 -10.300
  387    HB3  HIS  52           HB2      HIS  52  -1.721   6.841 -12.059
  388    HD1  HIS  52           HD1      HIS  52   0.364   8.208 -12.693
  389    HD2  HIS  52           HD2      HIS  52  -1.920   9.807  -9.724
  390    HE1  HIS  52           HE1      HIS  52   1.419  10.470 -12.280
  391    H    ASN  53           H        ASN  53  -3.224   5.733 -12.517
  392    HA   ASN  53           HA       ASN  53  -5.517   4.286 -11.464
  393    HB2  ASN  53           HB3      ASN  53  -5.318   4.978 -13.893
  394    HB3  ASN  53           HB2      ASN  53  -4.015   3.821 -14.051
  395   HD21  ASN  53          HD22      ASN  53  -7.197   4.366 -14.569
  396   HD22  ASN  53          HD21      ASN  53  -7.791   2.740 -14.654
  397    H    LYS  54           H        LYS  54  -3.322   4.010  -9.791
  398    HA   LYS  54           HA       LYS  54  -2.529   1.271 -10.428
  399    HB2  LYS  54           HB3      LYS  54  -1.061   2.998  -8.442
  400    HB3  LYS  54           HB2      LYS  54  -0.684   1.358  -8.926
  401    HG2  LYS  54           HG3      LYS  54  -0.485   3.836 -10.691
  402    HG3  LYS  54           HG2      LYS  54   0.835   2.882  -9.997
  403    HD2  LYS  54           HD3      LYS  54  -1.217   1.848 -11.929
  404    HD3  LYS  54           HD2      LYS  54   0.346   2.480 -12.434
  405    HE2  LYS  54           HE3      LYS  54  -0.051   0.072 -10.614
  406    HE3  LYS  54           HE2      LYS  54   0.234  -0.050 -12.339
  407    HZ1  LYS  54           HZ1      LYS  54   2.157   1.028 -10.290
  408    HZ2  LYS  54           HZ2      LYS  54   2.378   1.079 -11.961
  409    HZ3  LYS  54           HZ3      LYS  54   2.321  -0.396 -11.213
  410    H    LEU  55           H        LEU  55  -4.543   3.005  -8.412
  411    HA   LEU  55           HA       LEU  55  -5.153   0.568  -7.010
  412    HB2  LEU  55           HB3      LEU  55  -3.188   1.181  -5.708
  413    HB3  LEU  55           HB2      LEU  55  -3.792   2.791  -5.450
  414    HG   LEU  55           HG       LEU  55  -5.112   0.329  -4.221
  415   HD11  LEU  55          HD11      LEU  55  -3.882   1.430  -2.116
  416   HD12  LEU  55          HD12      LEU  55  -2.770   2.018  -3.347
  417   HD13  LEU  55          HD13      LEU  55  -3.039   0.277  -3.141
  418   HD21  LEU  55          HD21      LEU  55  -5.078   3.017  -2.943
  419   HD22  LEU  55          HD22      LEU  55  -6.313   1.764  -2.860
  420   HD23  LEU  55          HD23      LEU  55  -6.193   2.766  -4.303
  421    H    ASP  56           H        ASP  56  -7.057   0.532  -7.188
  422    HA   ASP  56           HA       ASP  56  -8.978   2.632  -6.616
  423    HB2  ASP  56           HB3      ASP  56  -9.427  -0.255  -7.228
  424    HB3  ASP  56           HB2      ASP  56 -10.679   0.813  -6.632
  425    H    LYS  57           H        LYS  57 -10.731   2.132  -5.373
  426    HA   LYS  57           HA       LYS  57 -10.163   1.622  -2.662
  427    HB2  LYS  57           HB3      LYS  57 -12.699   1.539  -2.466
  428    HB3  LYS  57           HB2      LYS  57 -11.966   3.057  -2.961
  429    HG2  LYS  57           HG3      LYS  57 -13.970   2.618  -4.249
  430    HG3  LYS  57           HG2      LYS  57 -12.490   2.561  -5.235
  431    HD2  LYS  57           HD3      LYS  57 -12.487   0.207  -5.129
  432    HD3  LYS  57           HD2      LYS  57 -13.922   0.165  -4.155
  433    HE2  LYS  57           HE3      LYS  57 -14.397  -0.344  -6.483
  434    HE3  LYS  57           HE2      LYS  57 -15.262   1.128  -5.999
  435    HZ1  LYS  57           HZ1      LYS  57 -14.127   2.318  -7.489
  436    HZ2  LYS  57           HZ2      LYS  57 -13.837   0.837  -8.241
  437    HZ3  LYS  57           HZ3      LYS  57 -12.648   1.570  -7.261
  438    H    ASP  58           H        ASP  58 -10.869  -0.435  -5.345
  439    HA   ASP  58           HA       ASP  58 -11.688  -2.698  -3.753
  440    HB2  ASP  58           HB3      ASP  58 -12.987  -2.082  -5.745
  441    HB3  ASP  58           HB2      ASP  58 -11.526  -2.200  -6.727
  442    H    ASN  59           H        ASN  59  -9.371  -1.526  -5.960
  443    HA   ASN  59           HA       ASN  59  -7.878  -3.980  -6.055
  444    HB2  ASN  59           HB3      ASN  59  -7.454  -1.371  -7.501
  445    HB3  ASN  59           HB2      ASN  59  -6.448  -2.814  -7.722
  446   HD21  ASN  59          HD22      ASN  59  -9.326  -1.259  -8.663
  447   HD22  ASN  59          HD21      ASN  59 -10.020  -2.603  -9.442
  448    H    LEU  60           H        LEU  60  -6.422  -4.514  -5.035
  449    HA   LEU  60           HA       LEU  60  -4.693  -2.693  -3.506
  450    HB2  LEU  60           HB3      LEU  60  -4.685  -4.170  -1.577
  451    HB3  LEU  60           HB2      LEU  60  -6.313  -3.676  -1.945
  452    HG   LEU  60           HG       LEU  60  -5.126  -6.402  -2.506
  453   HD11  LEU  60          HD11      LEU  60  -5.957  -7.114  -0.560
  454   HD12  LEU  60          HD12      LEU  60  -7.429  -6.111  -0.703
  455   HD13  LEU  60          HD13      LEU  60  -5.922  -5.398  -0.138
  456   HD21  LEU  60          HD21      LEU  60  -7.958  -6.458  -2.571
  457   HD22  LEU  60          HD22      LEU  60  -6.814  -6.779  -3.887
  458   HD23  LEU  60          HD23      LEU  60  -7.409  -5.132  -3.607
  459    H    SER  61           H        SER  61  -4.951  -5.441  -5.277
  460    HA   SER  61           HA       SER  61  -2.998  -7.168  -4.765
  461    HB2  SER  61           HB3      SER  61  -3.627  -6.366  -7.614
  462    HB3  SER  61           HB2      SER  61  -3.000  -7.931  -7.088
  463    HG   SER  61           HG       SER  61  -5.145  -8.226  -7.242
  464    H    TYR  62           H        TYR  62  -2.464  -4.389  -6.489
  465    HA   TYR  62           HA       TYR  62   0.317  -4.707  -7.146
  466    HB2  TYR  62           HB3      TYR  62  -0.710  -2.966  -8.334
  467    HB3  TYR  62           HB2      TYR  62  -1.376  -2.241  -6.872
  468    HD1  TYR  62           HD2      TYR  62   2.121  -3.277  -7.427
  469    HD2  TYR  62           HD1      TYR  62  -0.614  -0.116  -7.042
  470    HE1  TYR  62           HE2      TYR  62   4.025  -1.688  -7.200
  471    HE2  TYR  62           HE1      TYR  62   1.243   1.496  -6.876
  472    HH   TYR  62           HH       TYR  62   4.599   0.404  -7.080
  473    H    ILE  63           H        ILE  63  -1.201  -3.113  -4.409
  474    HA   ILE  63           HA       ILE  63   1.329  -2.495  -3.206
  475    HB   ILE  63           HB       ILE  63   0.184  -1.245  -1.601
  476   HG12  ILE  63          HG13      ILE  63  -2.413  -2.572  -2.370
  477   HG13  ILE  63          HG12      ILE  63  -1.459  -3.158  -1.008
  478   HG21  ILE  63          HG21      ILE  63   0.013  -0.621  -3.983
  479   HG22  ILE  63          HG22      ILE  63  -1.124   0.122  -2.804
  480   HG23  ILE  63          HG23      ILE  63  -1.640  -1.236  -3.839
  481   HD11  ILE  63          HD11      ILE  63  -1.445  -0.689  -0.397
  482   HD12  ILE  63          HD12      ILE  63  -2.772  -1.734   0.108
  483   HD13  ILE  63          HD13      ILE  63  -2.961  -0.632  -1.305
  484    H    GLU  64           H        GLU  64  -0.943  -4.936  -3.110
  485    HA   GLU  64           HA       GLU  64  -0.454  -6.146  -0.527
  486    HB2  GLU  64           HB3      GLU  64  -2.436  -6.750  -1.956
  487    HB3  GLU  64           HB2      GLU  64  -1.338  -7.407  -3.148
  488    HG2  GLU  64           HG3      GLU  64  -0.573  -9.075  -1.474
  489    HG3  GLU  64           HG2      GLU  64  -1.788  -8.438  -0.376
  490    H    HIS  65           H        HIS  65   0.667  -6.955  -3.797
  491    HA   HIS  65           HA       HIS  65   2.779  -8.640  -3.217
  492    HB2  HIS  65           HB3      HIS  65   1.796  -8.029  -5.419
  493    HB3  HIS  65           HB2      HIS  65   2.473  -6.424  -5.187
  494    HD1  HIS  65           HD1      HIS  65   4.076  -9.934  -5.139
  495    HD2  HIS  65           HD2      HIS  65   4.525  -6.063  -6.611
  496    HE1  HIS  65           HE1      HIS  65   6.054 -10.065  -6.661
  497    H    ILE  66           H        ILE  66   3.019  -5.271  -3.656
  498    HA   ILE  66           HA       ILE  66   5.557  -4.954  -3.054
  499    HB   ILE  66           HB       ILE  66   3.439  -3.129  -2.017
  500   HG12  ILE  66          HG13      ILE  66   3.320  -3.690  -4.198
  501   HG13  ILE  66          HG12      ILE  66   3.658  -1.930  -4.211
  502   HG21  ILE  66          HG21      ILE  66   6.426  -2.580  -2.179
  503   HG22  ILE  66          HG22      ILE  66   5.343  -2.368  -0.829
  504   HG23  ILE  66          HG23      ILE  66   5.248  -1.276  -2.183
  505   HD11  ILE  66          HD11      ILE  66   4.654  -3.763  -5.814
  506   HD12  ILE  66          HD12      ILE  66   5.869  -3.899  -4.531
  507   HD13  ILE  66          HD13      ILE  66   5.598  -2.333  -5.340
  508    H    PHE  67           H        PHE  67   2.974  -5.106  -0.440
  509    HA   PHE  67           HA       PHE  67   4.859  -4.850   1.457
  510    HB2  PHE  67           HB3      PHE  67   2.073  -6.006   1.588
  511    HB3  PHE  67           HB2      PHE  67   3.075  -5.588   2.983
  512    HD1  PHE  67           HD2      PHE  67   4.085  -3.098   2.767
  513    HD2  PHE  67           HD1      PHE  67   0.543  -4.547   1.006
  514    HE1  PHE  67           HE2      PHE  67   3.296  -0.764   2.519
  515    HE2  PHE  67           HE1      PHE  67  -0.289  -2.224   0.741
  516    HZ   PHE  67           HZ       PHE  67   1.084  -0.340   1.490
  517    H    GLU  68           H        GLU  68   3.859  -7.711  -0.523
  518    HA   GLU  68           HA       GLU  68   4.563  -9.786   1.180
  519    HB2  GLU  68           HB3      GLU  68   3.066  -9.941  -0.733
  520    HB3  GLU  68           HB2      GLU  68   4.285  -9.284  -1.789
  521    HG2  GLU  68           HG3      GLU  68   5.598 -11.332  -1.480
  522    HG3  GLU  68           HG2      GLU  68   4.252 -11.999  -0.533
  523    H    ILE  69           H        ILE  69   6.033  -8.462  -1.679
  524    HA   ILE  69           HA       ILE  69   8.438  -9.727  -1.459
  525    HB   ILE  69           HB       ILE  69   9.300  -8.321  -3.210
  526   HG12  ILE  69          HG13      ILE  69   6.719  -6.774  -2.878
  527   HG13  ILE  69          HG12      ILE  69   8.356  -6.181  -2.620
  528   HG21  ILE  69          HG21      ILE  69   7.210 -10.105  -3.213
  529   HG22  ILE  69          HG22      ILE  69   8.139  -9.575  -4.631
  530   HG23  ILE  69          HG23      ILE  69   6.642  -8.738  -4.179
  531   HD11  ILE  69          HD11      ILE  69   7.571  -7.379  -5.170
  532   HD12  ILE  69          HD12      ILE  69   8.880  -6.252  -4.839
  533   HD13  ILE  69          HD13      ILE  69   7.193  -5.662  -4.845
  534    H    SER  70           H        SER  70   7.682  -6.528  -0.374
  535    HA   SER  70           HA       SER  70  10.376  -5.961   0.408
  536    HB2  SER  70           HB3      SER  70   8.944  -4.181  -0.541
  537    HB3  SER  70           HB2      SER  70   7.788  -4.413   0.761
  538    HG   SER  70           HG       SER  70   8.983  -3.273   2.026
  539    H    ARG  71           H        ARG  71  10.939  -5.622   2.645
  540    HA   ARG  71           HA       ARG  71   9.581  -7.477   4.243
  541    HB2  ARG  71           HB3      ARG  71  12.117  -6.036   4.840
  542    HB3  ARG  71           HB2      ARG  71  11.299  -7.027   6.036
  543    HG2  ARG  71           HG3      ARG  71  12.275  -7.928   3.358
  544    HG3  ARG  71           HG2      ARG  71  13.000  -8.315   4.931
  545    HD2  ARG  71           HD3      ARG  71  10.810  -9.435   5.538
  546    HD3  ARG  71           HD2      ARG  71  10.281  -9.163   3.878
  547    HE   ARG  71           HE       ARG  71  11.879 -11.241   4.798
  548   HH11  ARG  71          HH11      ARG  71  11.578  -9.178   1.851
  549   HH12  ARG  71          HH12      ARG  71  12.618 -10.184   0.934
  550   HH21  ARG  71          HH22      ARG  71  13.177 -12.571   3.458
  551   HH22  ARG  71          HH21      ARG  71  13.537 -12.117   1.845
  552    H    ARG  72           H        ARG  72   7.769  -6.382   4.155
  553    HA   ARG  72           HA       ARG  72   7.152  -5.103   6.672
  554    HB2  ARG  72           HB3      ARG  72   6.588  -3.884   4.006
  555    HB3  ARG  72           HB2      ARG  72   5.461  -3.610   5.306
  556    HG2  ARG  72           HG3      ARG  72   8.355  -3.135   5.660
  557    HG3  ARG  72           HG2      ARG  72   7.316  -1.877   4.929
  558    HD2  ARG  72           HD3      ARG  72   7.527  -1.453   7.302
  559    HD3  ARG  72           HD2      ARG  72   5.904  -2.026   6.980
  560    HE   ARG  72           HE       ARG  72   6.287  -3.738   8.401
  561   HH11  ARG  72          HH11      ARG  72   9.434  -2.151   7.895
  562   HH12  ARG  72          HH12      ARG  72  10.284  -3.357   8.735
  563   HH21  ARG  72          HH22      ARG  72   7.535  -5.365   9.649
  564   HH22  ARG  72          HH21      ARG  72   9.228  -5.109   9.739
  565    HA   PRO  73           HA       PRO  73   4.411  -8.605   5.209
  566    HB2  PRO  73           HB2      PRO  73   5.243  -9.836   7.746
  567    HB3  PRO  73           HB3      PRO  73   5.216 -10.529   6.114
  568    HG2  PRO  73           HG3      PRO  73   7.492  -9.911   7.341
  569    HG3  PRO  73           HG2      PRO  73   7.288  -9.694   5.586
  570    HD2  PRO  73           HD3      PRO  73   7.088  -7.666   7.772
  571    HD3  PRO  73           HD2      PRO  73   7.928  -7.543   6.211
  572    H    ASP  74           H        ASP  74   4.951  -6.686   8.009
  573    HA   ASP  74           HA       ASP  74   2.786  -7.510   9.663
  574    HB2  ASP  74           HB3      ASP  74   3.849  -4.669   9.536
  575    HB3  ASP  74           HB2      ASP  74   3.150  -5.483  10.927
  576    H    LEU  75           H        LEU  75   3.382  -5.092   7.566
  577    HA   LEU  75           HA       LEU  75   0.790  -3.889   7.375
  578    HB2  LEU  75           HB3      LEU  75   3.110  -3.563   5.474
  579    HB3  LEU  75           HB2      LEU  75   1.612  -2.707   5.269
  580    HG   LEU  75           HG       LEU  75   2.003  -1.460   7.437
  581   HD11  LEU  75          HD11      LEU  75   4.740  -2.583   7.600
  582   HD12  LEU  75          HD12      LEU  75   3.394  -3.380   8.412
  583   HD13  LEU  75          HD13      LEU  75   3.783  -1.696   8.786
  584   HD21  LEU  75          HD21      LEU  75   2.929  -0.815   5.148
  585   HD22  LEU  75          HD22      LEU  75   4.494  -1.292   5.800
  586   HD23  LEU  75          HD23      LEU  75   3.571  -0.018   6.589
  587    H    LEU  76           H        LEU  76   2.476  -5.990   5.306
  588    HA   LEU  76           HA       LEU  76   0.606  -6.656   3.236
  589    HB2  LEU  76           HB3      LEU  76   2.779  -7.974   3.461
  590    HB3  LEU  76           HB2      LEU  76   1.943  -8.884   4.736
  591    HG   LEU  76           HG       LEU  76   0.165  -9.278   3.029
  592   HD11  LEU  76          HD11      LEU  76   0.172  -8.826   1.055
  593   HD12  LEU  76          HD12      LEU  76   1.817  -9.446   0.805
  594   HD13  LEU  76          HD13      LEU  76   1.569  -7.809   1.389
  595   HD21  LEU  76          HD21      LEU  76   2.581 -10.781   3.575
  596   HD22  LEU  76          HD22      LEU  76   1.871 -11.175   2.004
  597   HD23  LEU  76          HD23      LEU  76   0.907 -11.294   3.494
  598    H    THR  77           H        THR  77   0.958  -8.261   6.204
  599    HA   THR  77           HA       THR  77  -1.186  -9.900   6.426
  600    HB   THR  77           HB       THR  77   0.072  -8.279   8.550
  601    HG1  THR  77           HG1      THR  77   1.577  -9.639   7.844
  602   HG21  THR  77          HG21      THR  77  -1.689  -8.913   9.695
  603   HG22  THR  77          HG22      THR  77  -0.748 -10.421   9.889
  604   HG23  THR  77          HG23      THR  77  -1.999 -10.298   8.616
  605    H    MET  78           H        MET  78  -1.038  -6.584   7.328
  606    HA   MET  78           HA       MET  78  -3.706  -6.298   8.225
  607    HB2  MET  78           HB3      MET  78  -1.871  -4.179   7.067
  608    HB3  MET  78           HB2      MET  78  -3.373  -3.872   7.922
  609    HG2  MET  78           HG3      MET  78  -2.515  -4.920   9.919
  610    HG3  MET  78           HG2      MET  78  -1.034  -5.352   9.085
  611    HE1  MET  78           HE1      MET  78  -0.214  -2.649  11.806
  612    HE2  MET  78           HE2      MET  78   0.574  -4.018  11.017
  613    HE3  MET  78           HE3      MET  78  -1.039  -4.218  11.712
  614    H    VAL  79           H        VAL  79  -2.302  -6.056   4.996
  615    HA   VAL  79           HA       VAL  79  -4.696  -5.130   3.704
  616    HB   VAL  79           HB       VAL  79  -2.297  -6.583   2.532
  617   HG11  VAL  79          HG11      VAL  79  -2.862  -5.654   0.409
  618   HG12  VAL  79          HG12      VAL  79  -4.131  -4.655   1.118
  619   HG13  VAL  79          HG13      VAL  79  -4.307  -6.404   1.089
  620   HG21  VAL  79          HG21      VAL  79  -2.651  -3.766   3.348
  621   HG22  VAL  79          HG22      VAL  79  -1.667  -4.089   1.912
  622   HG23  VAL  79          HG23      VAL  79  -1.262  -4.814   3.501
  623    H    VAL  80           H        VAL  80  -3.024  -8.248   3.932
  624    HA   VAL  80           HA       VAL  80  -4.880  -9.974   2.668
  625    HB   VAL  80           HB       VAL  80  -3.028 -10.528   5.036
  626   HG11  VAL  80          HG11      VAL  80  -3.820 -12.656   3.088
  627   HG12  VAL  80          HG12      VAL  80  -4.930 -12.196   4.409
  628   HG13  VAL  80          HG13      VAL  80  -3.310 -12.753   4.780
  629   HG21  VAL  80          HG21      VAL  80  -1.857 -11.645   2.830
  630   HG22  VAL  80          HG22      VAL  80  -1.386 -10.116   3.586
  631   HG23  VAL  80          HG23      VAL  80  -2.498 -10.113   2.211
  632    H    ASP  81           H        ASP  81  -4.504  -9.342   5.922
  633    HA   ASP  81           HA       ASP  81  -6.695 -10.699   6.964
  634    HB2  ASP  81           HB3      ASP  81  -4.948  -9.778   8.488
  635    HB3  ASP  81           HB2      ASP  81  -5.667  -8.189   8.326
  636    H    TYR  82           H        TYR  82  -6.518  -7.472   5.985
  637    HA   TYR  82           HA       TYR  82  -9.121  -6.366   6.443
  638    HB2  TYR  82           HB3      TYR  82  -7.482  -4.900   5.633
  639    HB3  TYR  82           HB2      TYR  82  -7.144  -5.917   4.230
  640    HD1  TYR  82           HD1      TYR  82  -9.956  -3.841   5.728
  641    HD2  TYR  82           HD2      TYR  82  -8.077  -5.483   2.283
  642    HE1  TYR  82           HE1      TYR  82 -11.477  -2.605   4.297
  643    HE2  TYR  82           HE2      TYR  82  -9.580  -4.309   0.842
  644    HH   TYR  82           HH       TYR  82 -11.180  -2.695   0.739
  645    H    ARG  83           H        ARG  83  -7.813  -8.085   3.664
  646    HA   ARG  83           HA       ARG  83  -9.986  -8.133   2.008
  647    HB2  ARG  83           HB3      ARG  83  -7.841  -8.541   1.233
  648    HB3  ARG  83           HB2      ARG  83  -7.502  -9.685   2.482
  649    HG2  ARG  83           HG3      ARG  83  -9.442 -10.297   0.356
  650    HG3  ARG  83           HG2      ARG  83  -7.704 -10.465   0.021
  651    HD2  ARG  83           HD3      ARG  83  -7.635 -11.942   2.040
  652    HD3  ARG  83           HD2      ARG  83  -9.388 -11.936   2.111
  653    HE   ARG  83           HE       ARG  83  -8.396 -12.581  -0.481
  654   HH11  ARG  83          HH11      ARG  83  -9.009 -14.045   2.713
  655   HH12  ARG  83          HH12      ARG  83  -9.078 -15.640   2.087
  656   HH21  ARG  83          HH22      ARG  83  -8.310 -14.833  -1.277
  657   HH22  ARG  83          HH21      ARG  83  -8.633 -16.082  -0.176
  658    H    THR  84           H        THR  84  -8.950 -10.319   4.218
  659    HA   THR  84           HA       THR  84 -11.110 -12.214   4.174
  660    HB   THR  84           HB       THR  84  -9.198 -11.488   6.266
  661    HG1  THR  84           HG1      THR  84  -7.826 -12.746   5.217
  662   HG21  THR  84          HG21      THR  84  -9.573 -13.789   7.085
  663   HG22  THR  84          HG22      THR  84 -11.009 -13.780   5.996
  664   HG23  THR  84          HG23      THR  84 -10.824 -12.522   7.278
  665    H    ARG  85           H        ARG  85 -10.367 -10.180   6.623
  666    HA   ARG  85           HA       ARG  85 -12.554 -10.286   8.177
  667    HB2  ARG  85           HB3      ARG  85 -12.237  -8.199   9.436
  668    HB3  ARG  85           HB2      ARG  85 -10.734  -9.065   9.204
  669    HG2  ARG  85           HG3      ARG  85  -9.989  -7.445   7.585
  670    HG3  ARG  85           HG2      ARG  85 -11.571  -6.671   7.541
  671    HD2  ARG  85           HD3      ARG  85 -10.167  -5.376   8.915
  672    HD3  ARG  85           HD2      ARG  85 -11.373  -6.286   9.869
  673    HE   ARG  85           HE       ARG  85  -8.910  -7.693   9.915
  674   HH11  ARG  85          HH11      ARG  85 -10.329  -4.709  11.284
  675   HH12  ARG  85          HH12      ARG  85  -9.243  -4.635  12.576
  676   HH21  ARG  85          HH22      ARG  85  -7.471  -7.556  11.569
  677   HH22  ARG  85          HH21      ARG  85  -7.502  -6.299  12.766
  678    H    VAL  86           H        VAL  86 -12.172  -7.944   6.018
  679    HA   VAL  86           HA       VAL  86 -14.786  -6.826   6.080
  680    HB   VAL  86           HB       VAL  86 -12.745  -6.609   3.881
  681   HG11  VAL  86          HG11      VAL  86 -15.341  -6.223   3.249
  682   HG12  VAL  86          HG12      VAL  86 -14.128  -5.065   2.706
  683   HG13  VAL  86          HG13      VAL  86 -15.089  -4.720   4.146
  684   HG21  VAL  86          HG21      VAL  86 -13.212  -5.439   6.406
  685   HG22  VAL  86          HG22      VAL  86 -13.374  -4.176   5.179
  686   HG23  VAL  86          HG23      VAL  86 -11.887  -5.129   5.275
  687    H    LEU  87           H        LEU  87 -13.510  -9.457   4.330
  688    HA   LEU  87           HA       LEU  87 -15.756 -10.175   2.755
  689    HB2  LEU  87           HB3      LEU  87 -13.593 -11.032   2.307
  690    HB3  LEU  87           HB2      LEU  87 -13.378 -11.448   3.982
  691    HG   LEU  87           HG       LEU  87 -14.579 -13.359   3.786
  692   HD11  LEU  87          HD11      LEU  87 -16.432 -12.669   2.206
  693   HD12  LEU  87          HD12      LEU  87 -15.605 -14.055   1.493
  694   HD13  LEU  87          HD13      LEU  87 -15.257 -12.443   0.909
  695   HD21  LEU  87          HD21      LEU  87 -13.285 -13.944   1.305
  696   HD22  LEU  87          HD22      LEU  87 -12.829 -14.360   2.962
  697   HD23  LEU  87          HD23      LEU  87 -12.329 -12.822   2.242
  698    H    LYS  88           H        LYS  88 -14.639 -11.084   5.971
  699    HA   LYS  88           HA       LYS  88 -16.806 -12.630   6.802
  700    HB2  LYS  88           HB3      LYS  88 -14.577 -12.743   7.800
  701    HB3  LYS  88           HB2      LYS  88 -14.675 -11.086   8.302
  702    HG2  LYS  88           HG3      LYS  88 -16.335 -13.322   9.505
  703    HG3  LYS  88           HG2      LYS  88 -14.798 -12.761  10.150
  704    HD2  LYS  88           HD3      LYS  88 -15.818 -10.492  10.429
  705    HD3  LYS  88           HD2      LYS  88 -17.348 -11.182   9.896
  706    HE2  LYS  88           HE3      LYS  88 -15.786 -12.012  12.347
  707    HE3  LYS  88           HE2      LYS  88 -17.194 -10.962  12.361
  708    HZ1  LYS  88           HZ1      LYS  88 -18.194 -13.118  11.139
  709    HZ2  LYS  88           HZ2      LYS  88 -18.208 -12.865  12.810
  710    HZ3  LYS  88           HZ3      LYS  88 -17.021 -13.836  12.166
  711    H    ILE  89           H        ILE  89 -16.265  -9.125   7.142
  712    HA   ILE  89           HA       ILE  89 -18.485  -8.704   8.793
  713    HB   ILE  89           HB       ILE  89 -16.621  -6.998   7.195
  714   HG12  ILE  89          HG13      ILE  89 -16.844  -7.467  10.180
  715   HG13  ILE  89          HG12      ILE  89 -15.577  -8.019   9.078
  716   HG21  ILE  89          HG21      ILE  89 -18.508  -5.812   7.144
  717   HG22  ILE  89          HG22      ILE  89 -17.505  -5.052   8.405
  718   HG23  ILE  89          HG23      ILE  89 -18.906  -6.077   8.859
  719   HD11  ILE  89          HD11      ILE  89 -16.129  -5.180   9.904
  720   HD12  ILE  89          HD12      ILE  89 -14.919  -5.663   8.712
  721   HD13  ILE  89          HD13      ILE  89 -14.773  -6.199  10.385
  722    H    SER  90           H        SER  90 -17.790  -8.070   5.371
  723    HA   SER  90           HA       SER  90 -20.505  -7.153   4.917
  724    HB2  SER  90           HB3      SER  90 -18.162  -7.411   3.031
  725    HB3  SER  90           HB2      SER  90 -19.716  -6.653   2.629
  726    HG   SER  90           HG       SER  90 -17.694  -5.762   4.381
  Start of MODEL   18
    1    H1   MET   1           H        MET   1 -12.373   0.390   1.154
    2    H2   MET   1           H2       MET   1 -13.517  -0.783   0.696
    3    H3   MET   1           H3       MET   1 -12.806   0.262  -0.446
    4    HA   MET   1           HA       MET   1 -14.230   1.960  -0.004
    5    HB2  MET   1           HB3      MET   1 -15.599  -0.338   0.345
    6    HB3  MET   1           HB2      MET   1 -15.514   0.109   2.040
    7    HG2  MET   1           HG3      MET   1 -16.863   1.695  -0.140
    8    HG3  MET   1           HG2      MET   1 -17.670   0.605   0.985
    9    HE1  MET   1           HE1      MET   1 -18.876   2.885   0.406
   10    HE2  MET   1           HE2      MET   1 -18.745   4.347   1.380
   11    HE3  MET   1           HE3      MET   1 -19.489   2.885   2.052
   12    H    ALA   2           H        ALA   2 -15.366   2.321   2.702
   13    HA   ALA   2           HA       ALA   2 -13.344   3.944   3.754
   14    HB1  ALA   2           HB1      ALA   2 -15.724   2.783   5.199
   15    HB2  ALA   2           HB2      ALA   2 -15.530   4.427   4.575
   16    HB3  ALA   2           HB3      ALA   2 -14.616   3.910   5.991
   17    H    GLU   3           H        GLU   3 -14.216   0.936   5.081
   18    HA   GLU   3           HA       GLU   3 -12.429   0.438   6.903
   19    HB2  GLU   3           HB3      GLU   3 -12.921  -1.582   4.733
   20    HB3  GLU   3           HB2      GLU   3 -12.308  -1.966   6.349
   21    HG2  GLU   3           HG3      GLU   3 -14.873  -0.650   5.750
   22    HG3  GLU   3           HG2      GLU   3 -14.723  -2.407   6.051
   23    H    TYR   4           H        TYR   4 -11.935   0.219   3.866
   24    HA   TYR   4           HA       TYR   4  -9.157  -0.581   3.435
   25    HB2  TYR   4           HB3      TYR   4 -10.666  -0.594   1.511
   26    HB3  TYR   4           HB2      TYR   4 -10.560   1.172   1.385
   27    HD1  TYR   4           HD1      TYR   4  -8.210  -1.659   1.805
   28    HD2  TYR   4           HD2      TYR   4  -9.287   1.691  -0.553
   29    HE1  TYR   4           HE1      TYR   4  -6.345  -2.137   0.311
   30    HE2  TYR   4           HE2      TYR   4  -7.400   1.245  -2.046
   31    HH   TYR   4           HH       TYR   4  -6.092  -0.775  -2.691
   32    H    GLY   5           H        GLY   5 -10.708   2.477   3.466
   33    HA2  GLY   5           HA3      GLY   5  -8.538   4.337   3.290
   34    HA3  GLY   5           HA2      GLY   5  -9.986   4.674   4.228
   35    H    THR   6           H        THR   6  -9.848   2.874   6.398
   36    HA   THR   6           HA       THR   6  -7.752   3.863   8.033
   37    HB   THR   6           HB       THR   6  -9.457   1.411   8.283
   38    HG1  THR   6           HG1      THR   6 -10.166   3.780   9.595
   39   HG21  THR   6          HG21      THR   6  -7.781   1.415   9.881
   40   HG22  THR   6          HG22      THR   6  -9.198   2.067  10.737
   41   HG23  THR   6          HG23      THR   6  -7.914   3.144  10.111
   42    H    LEU   7           H        LEU   7  -8.379   0.907   6.460
   43    HA   LEU   7           HA       LEU   7  -6.162  -0.711   7.046
   44    HB2  LEU   7           HB3      LEU   7  -7.924  -1.483   5.715
   45    HB3  LEU   7           HB2      LEU   7  -7.529  -0.398   4.424
   46    HG   LEU   7           HG       LEU   7  -7.098  -2.793   4.241
   47   HD11  LEU   7          HD11      LEU   7  -6.220  -1.361   2.611
   48   HD12  LEU   7          HD12      LEU   7  -4.875  -2.442   3.003
   49   HD13  LEU   7          HD13      LEU   7  -4.933  -0.778   3.656
   50   HD21  LEU   7          HD21      LEU   7  -5.612  -3.906   5.444
   51   HD22  LEU   7          HD22      LEU   7  -5.804  -2.554   6.560
   52   HD23  LEU   7          HD23      LEU   7  -4.449  -2.573   5.429
   53    H    LEU   8           H        LEU   8  -6.159   1.399   4.513
   54    HA   LEU   8           HA       LEU   8  -3.376   1.448   3.813
   55    HB2  LEU   8           HB3      LEU   8  -5.289   3.780   3.470
   56    HB3  LEU   8           HB2      LEU   8  -3.590   3.819   3.031
   57    HG   LEU   8           HG       LEU   8  -3.868   2.271   1.275
   58   HD11  LEU   8          HD11      LEU   8  -6.611   1.741   2.344
   59   HD12  LEU   8          HD12      LEU   8  -5.293   0.611   2.187
   60   HD13  LEU   8          HD13      LEU   8  -6.073   1.251   0.740
   61   HD21  LEU   8          HD21      LEU   8  -5.964   4.374   1.414
   62   HD22  LEU   8          HD22      LEU   8  -5.885   3.297   0.014
   63   HD23  LEU   8          HD23      LEU   8  -4.505   4.310   0.440
   64    H    GLN   9           H        GLN   9  -5.080   3.229   6.149
   65    HA   GLN   9           HA       GLN   9  -2.929   4.718   7.239
   66    HB2  GLN   9           HB3      GLN   9  -4.920   5.840   7.195
   67    HB3  GLN   9           HB2      GLN   9  -5.784   4.374   7.660
   68    HG2  GLN   9           HG3      GLN   9  -5.490   4.600   9.654
   69    HG3  GLN   9           HG2      GLN   9  -3.946   5.559   9.648
   70   HE21  GLN   9          HE22      GLN   9  -4.241   7.707   9.976
   71   HE22  GLN   9          HE21      GLN   9  -5.764   8.508   9.986
   72    H    ASP  10           H        ASP  10  -4.147   1.786   7.716
   73    HA   ASP  10           HA       ASP  10  -3.423   1.203  10.485
   74    HB2  ASP  10           HB3      ASP  10  -4.309  -0.651   8.248
   75    HB3  ASP  10           HB2      ASP  10  -3.698  -1.299   9.757
   76    H    LEU  11           H        LEU  11  -2.112   0.636   7.244
   77    HA   LEU  11           HA       LEU  11   0.276  -0.414   8.323
   78    HB2  LEU  11           HB3      LEU  11   0.994  -0.713   6.076
   79    HB3  LEU  11           HB2      LEU  11  -0.545  -1.536   6.390
   80    HG   LEU  11           HG       LEU  11  -1.488   0.621   5.266
   81   HD11  LEU  11          HD11      LEU  11  -0.047   2.004   4.352
   82   HD12  LEU  11          HD12      LEU  11   0.771   0.684   3.503
   83   HD13  LEU  11          HD13      LEU  11   1.213   1.085   5.168
   84   HD21  LEU  11          HD21      LEU  11  -0.198  -1.213   3.299
   85   HD22  LEU  11          HD22      LEU  11  -1.857  -0.629   3.387
   86   HD23  LEU  11          HD23      LEU  11  -1.313  -1.917   4.467
   87    H    THR  12           H        THR  12  -0.957   2.480   7.169
   88    HA   THR  12           HA       THR  12   1.426   3.998   6.744
   89    HB   THR  12           HB       THR  12  -1.434   4.793   7.164
   90    HG1  THR  12           HG1      THR  12  -1.047   3.906   5.220
   91   HG21  THR  12          HG21      THR  12  -0.090   6.821   5.955
   92   HG22  THR  12          HG22      THR  12   0.865   6.392   7.419
   93   HG23  THR  12          HG23      THR  12  -0.894   6.780   7.580
   94    H    ASN  13           H        ASN  13  -0.564   3.416   9.571
   95    HA   ASN  13           HA       ASN  13   0.848   5.229  11.273
   96    HB2  ASN  13           HB3      ASN  13  -0.896   2.871  12.009
   97    HB3  ASN  13           HB2      ASN  13  -0.070   3.819  13.237
   98   HD21  ASN  13          HD22      ASN  13  -2.962   3.371  11.876
   99   HD22  ASN  13          HD21      ASN  13  -3.633   4.955  12.029
  100    H    ASN  14           H        ASN  14   1.387   2.058  10.249
  101    HA   ASN  14           HA       ASN  14   3.666   1.730  12.015
  102    HB2  ASN  14           HB3      ASN  14   2.410  -0.210  10.039
  103    HB3  ASN  14           HB2      ASN  14   3.826  -0.560  11.002
  104   HD21  ASN  14          HD22      ASN  14   0.441  -0.683  11.000
  105   HD22  ASN  14          HD21      ASN  14   0.262  -1.012  12.688
  106    H    ILE  15           H        ILE  15   3.068   2.975   9.034
  107    HA   ILE  15           HA       ILE  15   5.544   2.332   7.737
  108    HB   ILE  15           HB       ILE  15   3.246   4.177   7.130
  109   HG12  ILE  15          HG13      ILE  15   3.168   1.828   6.357
  110   HG13  ILE  15          HG12      ILE  15   3.034   3.010   5.051
  111   HG21  ILE  15          HG21      ILE  15   4.549   5.736   6.298
  112   HG22  ILE  15          HG22      ILE  15   4.695   4.597   4.927
  113   HG23  ILE  15          HG23      ILE  15   5.937   4.645   6.153
  114   HD11  ILE  15          HD11      ILE  15   4.759   0.858   5.109
  115   HD12  ILE  15          HD12      ILE  15   5.790   2.214   5.572
  116   HD13  ILE  15          HD13      ILE  15   4.907   2.278   4.063
  117    H    THR  16           H        THR  16   7.354   3.112   8.368
  118    HA   THR  16           HA       THR  16   7.600   5.754   9.462
  119    HB   THR  16           HB       THR  16   9.887   5.175   9.850
  120    HG1  THR  16           HG1      THR  16   9.573   2.548   8.906
  121   HG21  THR  16          HG21      THR  16   8.227   2.833  10.424
  122   HG22  THR  16          HG22      THR  16   8.204   4.367  11.331
  123   HG23  THR  16          HG23      THR  16   9.709   3.376  11.304
  124    H    LEU  17           H        LEU  17   9.008   6.882   8.436
  125    HA   LEU  17           HA       LEU  17   8.830   7.273   5.622
  126    HB2  LEU  17           HB3      LEU  17   9.833   9.009   7.068
  127    HB3  LEU  17           HB2      LEU  17  11.256   8.009   7.265
  128    HG   LEU  17           HG       LEU  17  11.772   8.244   4.890
  129   HD11  LEU  17          HD11      LEU  17   9.090   9.062   4.695
  130   HD12  LEU  17          HD12      LEU  17  10.286   8.912   3.400
  131   HD13  LEU  17          HD13      LEU  17  10.082  10.443   4.229
  132   HD21  LEU  17          HD21      LEU  17  12.890   9.809   6.215
  133   HD22  LEU  17          HD22      LEU  17  11.408  10.703   6.547
  134   HD23  LEU  17          HD23      LEU  17  12.151  10.772   4.946
  135    H    GLU  18           H        GLU  18  11.287   5.565   7.442
  136    HA   GLU  18           HA       GLU  18  12.932   4.508   5.454
  137    HB2  GLU  18           HB3      GLU  18  12.137   3.279   8.104
  138    HB3  GLU  18           HB2      GLU  18  13.596   2.894   7.206
  139    HG2  GLU  18           HG3      GLU  18  14.481   5.096   7.594
  140    HG3  GLU  18           HG2      GLU  18  12.969   5.635   8.300
  141    H    ASP  19           H        ASP  19  10.290   3.041   7.053
  142    HA   ASP  19           HA       ASP  19  10.027   0.568   5.688
  143    HB2  ASP  19           HB3      ASP  19   7.819   2.254   6.873
  144    HB3  ASP  19           HB2      ASP  19   7.398   0.756   6.051
  145    H    LEU  20           H        LEU  20   8.248   3.367   4.865
  146    HA   LEU  20           HA       LEU  20   7.356   2.602   2.421
  147    HB2  LEU  20           HB3      LEU  20   8.178   5.264   3.217
  148    HB3  LEU  20           HB2      LEU  20   7.773   4.981   1.538
  149    HG   LEU  20           HG       LEU  20   5.973   4.513   3.888
  150   HD11  LEU  20          HD11      LEU  20   6.683   6.726   2.168
  151   HD12  LEU  20          HD12      LEU  20   5.694   6.728   3.623
  152   HD13  LEU  20          HD13      LEU  20   4.977   6.336   2.059
  153   HD21  LEU  20          HD21      LEU  20   4.893   4.549   1.150
  154   HD22  LEU  20          HD22      LEU  20   4.534   3.441   2.484
  155   HD23  LEU  20          HD23      LEU  20   5.947   3.179   1.498
  156    H    GLU  21           H        GLU  21  10.463   3.902   3.012
  157    HA   GLU  21           HA       GLU  21  11.049   3.976   0.309
  158    HB2  GLU  21           HB3      GLU  21  13.053   4.021   2.550
  159    HB3  GLU  21           HB2      GLU  21  13.432   4.366   0.848
  160    HG2  GLU  21           HG3      GLU  21  11.543   6.108   0.969
  161    HG3  GLU  21           HG2      GLU  21  11.628   5.859   2.702
  162    H    GLN  22           H        GLN  22  11.330   1.569   2.467
  163    HA   GLN  22           HA       GLN  22  12.693  -0.203   0.689
  164    HB2  GLN  22           HB3      GLN  22  12.595  -0.782   3.072
  165    HB3  GLN  22           HB2      GLN  22  10.859  -1.122   2.855
  166    HG2  GLN  22           HG3      GLN  22  11.325  -2.944   1.400
  167    HG3  GLN  22           HG2      GLN  22  13.051  -2.592   1.417
  168   HE21  GLN  22          HE22      GLN  22  11.950  -2.088   4.498
  169   HE22  GLN  22          HE21      GLN  22  12.264  -3.656   5.166
  170    H    LEU  23           H        LEU  23   9.152   0.262   1.279
  171    HA   LEU  23           HA       LEU  23   8.235  -1.587  -0.542
  172    HB2  LEU  23           HB3      LEU  23   7.156   1.093   0.356
  173    HB3  LEU  23           HB2      LEU  23   6.227  -0.162  -0.449
  174    HG   LEU  23           HG       LEU  23   7.495  -0.391   2.249
  175   HD11  LEU  23          HD11      LEU  23   4.607   0.005   1.464
  176   HD12  LEU  23          HD12      LEU  23   5.658   1.233   2.172
  177   HD13  LEU  23          HD13      LEU  23   5.217  -0.190   3.104
  178   HD21  LEU  23          HD21      LEU  23   6.619  -2.385   0.493
  179   HD22  LEU  23          HD22      LEU  23   5.373  -2.238   1.746
  180   HD23  LEU  23          HD23      LEU  23   7.056  -2.532   2.193
  181    H    LYS  24           H        LYS  24   9.064   1.617  -0.806
  182    HA   LYS  24           HA       LYS  24   8.385   2.143  -3.557
  183    HB2  LYS  24           HB3      LYS  24  10.787   3.459  -2.252
  184    HB3  LYS  24           HB2      LYS  24   9.967   4.018  -3.695
  185    HG2  LYS  24           HG3      LYS  24   7.935   4.425  -2.328
  186    HG3  LYS  24           HG2      LYS  24   8.864   3.994  -0.899
  187    HD2  LYS  24           HD3      LYS  24   9.430   6.267  -2.803
  188    HD3  LYS  24           HD2      LYS  24   8.808   6.416  -1.163
  189    HE2  LYS  24           HE3      LYS  24  10.917   5.496  -0.290
  190    HE3  LYS  24           HE2      LYS  24  11.528   5.352  -1.930
  191    HZ1  LYS  24           HZ1      LYS  24  12.328   7.415  -1.638
  192    HZ2  LYS  24           HZ2      LYS  24  11.469   7.638  -0.223
  193    HZ3  LYS  24           HZ3      LYS  24  10.767   7.996  -1.735
  194    H    SER  25           H        SER  25  11.051   1.309  -2.225
  195    HA   SER  25           HA       SER  25  12.933   0.820  -4.340
  196    HB2  SER  25           HB3      SER  25  13.122  -0.784  -1.755
  197    HB3  SER  25           HB2      SER  25  14.400  -0.691  -2.966
  198    HG   SER  25           HG       SER  25  13.392   1.338  -1.309
  199    H    ALA  26           H        ALA  26  10.977  -1.313  -2.786
  200    HA   ALA  26           HA       ALA  26  11.232  -3.489  -4.628
  201    HB1  ALA  26           HB1      ALA  26   8.552  -3.413  -3.500
  202    HB2  ALA  26           HB2      ALA  26   9.797  -3.170  -2.273
  203    HB3  ALA  26           HB3      ALA  26   9.830  -4.600  -3.284
  204    H    CYS  27           H        CYS  27   8.848  -0.848  -4.440
  205    HA   CYS  27           HA       CYS  27   7.497  -1.557  -6.815
  206    HB2  CYS  27           HB3      CYS  27   7.666   1.140  -5.567
  207    HB3  CYS  27           HB2      CYS  27   6.506   0.518  -6.735
  208    HG   CYS  27           HG       CYS  27   6.883  -0.602  -3.574
  209    H    LYS  28           H        LYS  28  10.558  -0.334  -6.691
  210    HA   LYS  28           HA       LYS  28  10.483   1.991  -7.975
  211    HB2  LYS  28           HB3      LYS  28  12.819   1.751  -8.574
  212    HB3  LYS  28           HB2      LYS  28  12.459   1.062  -6.986
  213    HG2  LYS  28           HG3      LYS  28  12.562  -1.136  -7.842
  214    HG3  LYS  28           HG2      LYS  28  12.824  -0.519  -9.480
  215    HD2  LYS  28           HD3      LYS  28  14.881   0.558  -8.778
  216    HD3  LYS  28           HD2      LYS  28  14.626   0.019  -7.119
  217    HE2  LYS  28           HE3      LYS  28  14.872  -2.316  -7.862
  218    HE3  LYS  28           HE2      LYS  28  15.113  -1.760  -9.515
  219    HZ1  LYS  28           HZ1      LYS  28  17.244  -1.483  -9.070
  220    HZ2  LYS  28           HZ2      LYS  28  17.025  -1.951  -7.451
  221    HZ3  LYS  28           HZ3      LYS  28  16.867  -0.343  -7.866
  222    H    GLU  29           H        GLU  29  10.275  -1.063  -9.588
  223    HA   GLU  29           HA       GLU  29  10.535   0.061 -12.189
  224    HB2  GLU  29           HB3      GLU  29   9.478  -2.634 -11.353
  225    HB3  GLU  29           HB2      GLU  29   9.843  -2.129 -13.008
  226    HG2  GLU  29           HG3      GLU  29  12.200  -1.783 -12.327
  227    HG3  GLU  29           HG2      GLU  29  11.791  -2.389 -10.730
  228    H    ASP  30           H        ASP  30   7.783  -0.705 -10.084
  229    HA   ASP  30           HA       ASP  30   5.945  -0.075 -12.212
  230    HB2  ASP  30           HB3      ASP  30   5.432  -1.072  -9.451
  231    HB3  ASP  30           HB2      ASP  30   4.115  -0.455 -10.434
  232    H    ILE  31           H        ILE  31   6.766   1.445  -9.129
  233    HA   ILE  31           HA       ILE  31   4.887   3.515  -9.903
  234    HB   ILE  31           HB       ILE  31   4.893   2.515  -7.549
  235   HG12  ILE  31          HG13      ILE  31   3.851   4.754  -7.819
  236   HG13  ILE  31          HG12      ILE  31   4.600   4.514  -6.252
  237   HG21  ILE  31          HG21      ILE  31   7.351   4.150  -7.198
  238   HG22  ILE  31          HG22      ILE  31   7.271   2.358  -7.244
  239   HG23  ILE  31          HG23      ILE  31   6.464   3.289  -5.942
  240   HD11  ILE  31          HD11      ILE  31   5.939   6.237  -6.505
  241   HD12  ILE  31          HD12      ILE  31   4.993   6.662  -7.946
  242   HD13  ILE  31          HD13      ILE  31   6.445   5.657  -8.106
  243    HA   PRO  32           HA       PRO  32   8.073   5.438 -11.866
  244    HB2  PRO  32           HB2      PRO  32   6.763   8.043 -11.193
  245    HB3  PRO  32           HB3      PRO  32   7.316   7.432 -12.755
  246    HG2  PRO  32           HG3      PRO  32   4.725   7.338 -12.147
  247    HG3  PRO  32           HG2      PRO  32   5.513   5.982 -12.977
  248    HD2  PRO  32           HD3      PRO  32   4.784   6.238 -10.100
  249    HD3  PRO  32           HD2      PRO  32   4.619   4.820 -11.181
  250    H    SER  33           H        SER  33   9.873   6.115 -11.520
  251    HA   SER  33           HA       SER  33  11.171   6.358  -9.027
  252    HB2  SER  33           HB3      SER  33  12.460   5.920 -11.165
  253    HB3  SER  33           HB2      SER  33  12.251   7.613 -11.588
  254    HG   SER  33           HG       SER  33  13.277   7.525  -9.151
  255    H    GLU  34           H        GLU  34  10.407   8.838 -11.157
  256    HA   GLU  34           HA       GLU  34  10.785  11.331 -10.023
  257    HB2  GLU  34           HB3      GLU  34   9.577  11.123 -12.112
  258    HB3  GLU  34           HB2      GLU  34   8.199  10.403 -11.289
  259    HG2  GLU  34           HG3      GLU  34   7.898  12.580 -10.082
  260    HG3  GLU  34           HG2      GLU  34   9.150  13.245 -11.116
  261    H    LYS  35           H        LYS  35   8.220   9.430  -9.548
  262    HA   LYS  35           HA       LYS  35   6.967  10.854  -7.392
  263    HB2  LYS  35           HB3      LYS  35   6.207   8.349  -8.833
  264    HB3  LYS  35           HB2      LYS  35   5.226   9.013  -7.509
  265    HG2  LYS  35           HG3      LYS  35   6.053  10.642  -9.898
  266    HG3  LYS  35           HG2      LYS  35   4.538   9.726  -9.826
  267    HD2  LYS  35           HD3      LYS  35   3.857  10.874  -7.837
  268    HD3  LYS  35           HD2      LYS  35   5.403  11.689  -7.716
  269    HE2  LYS  35           HE3      LYS  35   3.585  12.134 -10.046
  270    HE3  LYS  35           HE2      LYS  35   3.425  13.038  -8.532
  271    HZ1  LYS  35           HZ1      LYS  35   5.743  13.117 -10.446
  272    HZ2  LYS  35           HZ2      LYS  35   5.790  13.640  -8.809
  273    HZ3  LYS  35           HZ3      LYS  35   4.703  14.318  -9.907
  274    H    SER  36           H        SER  36   8.438   7.612  -7.420
  275    HA   SER  36           HA       SER  36   8.179   6.997  -4.822
  276    HB2  SER  36           HB3      SER  36   9.008   5.510  -6.406
  277    HB3  SER  36           HB2      SER  36  10.424   6.502  -6.788
  278    HG   SER  36           HG       SER  36  11.356   5.323  -5.349
  279    H    GLU  37           H        GLU  37  10.322   9.067  -6.182
  280    HA   GLU  37           HA       GLU  37  12.032   9.554  -3.925
  281    HB2  GLU  37           HB3      GLU  37  11.655  11.454  -6.214
  282    HB3  GLU  37           HB2      GLU  37  12.865  11.668  -4.952
  283    HG2  GLU  37           HG3      GLU  37  12.598   9.358  -6.812
  284    HG3  GLU  37           HG2      GLU  37  13.820  10.639  -6.955
  285    H    GLU  38           H        GLU  38   9.411  11.121  -5.025
  286    HA   GLU  38           HA       GLU  38   9.170  13.155  -2.947
  287    HB2  GLU  38           HB3      GLU  38   7.107  14.052  -3.900
  288    HB3  GLU  38           HB2      GLU  38   8.305  13.799  -5.138
  289    HG2  GLU  38           HG3      GLU  38   7.190  11.738  -5.796
  290    HG3  GLU  38           HG2      GLU  38   5.961  12.008  -4.584
  291    H    ILE  39           H        ILE  39   8.143  10.047  -2.921
  292    HA   ILE  39           HA       ILE  39   5.789  10.226  -1.289
  293    HB   ILE  39           HB       ILE  39   7.472   7.856  -2.102
  294   HG12  ILE  39          HG13      ILE  39   4.747   8.783  -2.980
  295   HG13  ILE  39          HG12      ILE  39   6.258   9.114  -3.839
  296   HG21  ILE  39          HG21      ILE  39   5.537   6.473  -1.437
  297   HG22  ILE  39          HG22      ILE  39   4.863   7.880  -0.570
  298   HG23  ILE  39          HG23      ILE  39   6.392   7.164  -0.066
  299   HD11  ILE  39          HD11      ILE  39   5.400   6.367  -3.144
  300   HD12  ILE  39          HD12      ILE  39   6.450   6.931  -4.459
  301   HD13  ILE  39          HD13      ILE  39   4.705   7.257  -4.519
  302    H    THR  40           H        THR  40   6.967  11.614   0.276
  303    HA   THR  40           HA       THR  40   8.554  10.246   2.273
  304    HB   THR  40           HB       THR  40   9.232  12.439   1.582
  305    HG1  THR  40           HG1      THR  40   8.346  12.145   4.217
  306   HG21  THR  40          HG21      THR  40   6.490  13.289   2.451
  307   HG22  THR  40          HG22      THR  40   7.155  13.281   0.824
  308   HG23  THR  40          HG23      THR  40   7.792  14.429   2.019
  309    H    THR  41           H        THR  41   5.572   9.805   1.974
  310    HA   THR  41           HA       THR  41   5.147   9.264   4.645
  311    HB   THR  41           HB       THR  41   4.462  11.411   5.003
  312    HG1  THR  41           HG1      THR  41   3.230  10.194   6.140
  313   HG21  THR  41          HG21      THR  41   2.776  11.197   2.556
  314   HG22  THR  41          HG22      THR  41   3.873  12.485   3.038
  315   HG23  THR  41          HG23      THR  41   2.297  12.318   3.827
  316    H    GLY  42           H        GLY  42   3.351   7.952   5.130
  317    HA2  GLY  42           HA3      GLY  42   3.167   5.970   3.111
  318    HA3  GLY  42           HA2      GLY  42   2.150   5.996   4.575
  319    H    SER  43           H        SER  43   0.526   8.230   4.371
  320    HA   SER  43           HA       SER  43  -1.345   7.725   2.622
  321    HB2  SER  43           HB3      SER  43  -0.411  10.357   3.755
  322    HB3  SER  43           HB2      SER  43  -2.059   9.936   3.262
  323    HG   SER  43           HG       SER  43  -2.272   8.609   4.966
  324    H    ALA  44           H        ALA  44   1.404   9.641   2.233
  325    HA   ALA  44           HA       ALA  44   0.809  11.033  -0.182
  326    HB1  ALA  44           HB1      ALA  44   2.879  11.843  -0.140
  327    HB2  ALA  44           HB2      ALA  44   3.594  10.240  -0.345
  328    HB3  ALA  44           HB3      ALA  44   3.184  10.834   1.271
  329    H    TRP  45           H        TRP  45   2.420   7.893   0.124
  330    HA   TRP  45           HA       TRP  45   2.462   7.383  -2.646
  331    HB2  TRP  45           HB3      TRP  45   3.780   6.117  -0.857
  332    HB3  TRP  45           HB2      TRP  45   2.269   5.403  -0.369
  333    HD1  TRP  45           HD1      TRP  45   3.543   5.726  -4.030
  334    HE1  TRP  45           HE1      TRP  45   3.657   3.307  -4.987
  335    HE3  TRP  45           HE3      TRP  45   2.320   3.061   0.142
  336    HZ2  TRP  45           HZ2      TRP  45   3.356   0.767  -4.158
  337    HZ3  TRP  45           HZ3      TRP  45   2.266   0.615  -0.022
  338    HH2  TRP  45           HH2      TRP  45   2.774  -0.511  -2.141
  339    H    PHE  46           H        PHE  46   0.170   6.235  -0.209
  340    HA   PHE  46           HA       PHE  46  -1.436   5.027  -2.079
  341    HB2  PHE  46           HB3      PHE  46  -2.336   6.403   0.431
  342    HB3  PHE  46           HB2      PHE  46  -3.390   5.365  -0.525
  343    HD1  PHE  46           HD1      PHE  46  -2.144   3.077  -1.122
  344    HD2  PHE  46           HD2      PHE  46  -1.463   5.478   2.318
  345    HE1  PHE  46           HE1      PHE  46  -1.490   1.086   0.101
  346    HE2  PHE  46           HE2      PHE  46  -0.815   3.457   3.596
  347    HZ   PHE  46           HZ       PHE  46  -0.822   1.241   2.422
  348    H    SER  47           H        SER  47  -1.812   8.066  -0.861
  349    HA   SER  47           HA       SER  47  -3.855   9.065  -2.605
  350    HB2  SER  47           HB3      SER  47  -1.839  10.770  -1.198
  351    HB3  SER  47           HB2      SER  47  -3.313  11.376  -1.969
  352    HG   SER  47           HG       SER  47  -4.117   9.408  -0.542
  353    H    PHE  48           H        PHE  48  -0.453   8.982  -3.269
  354    HA   PHE  48           HA       PHE  48  -0.615  10.471  -5.735
  355    HB2  PHE  48           HB3      PHE  48   1.595  10.130  -4.889
  356    HB3  PHE  48           HB2      PHE  48   1.349   8.415  -4.637
  357    HD1  PHE  48           HD1      PHE  48   1.028  10.814  -7.497
  358    HD2  PHE  48           HD2      PHE  48   2.314   7.044  -6.066
  359    HE1  PHE  48           HE1      PHE  48   1.745  10.201  -9.753
  360    HE2  PHE  48           HE2      PHE  48   3.066   6.422  -8.281
  361    HZ   PHE  48           HZ       PHE  48   2.787   7.997 -10.163
  362    H    LEU  49           H        LEU  49  -0.410   7.000  -4.847
  363    HA   LEU  49           HA       LEU  49  -0.605   5.903  -7.212
  364    HB2  LEU  49           HB3      LEU  49  -0.209   5.193  -4.833
  365    HB3  LEU  49           HB2      LEU  49  -1.946   4.906  -4.780
  366    HG   LEU  49           HG       LEU  49  -1.641   3.132  -6.603
  367   HD11  LEU  49          HD11      LEU  49   0.493   4.488  -7.323
  368   HD12  LEU  49          HD12      LEU  49   0.317   2.758  -7.538
  369   HD13  LEU  49          HD13      LEU  49   1.272   3.381  -6.185
  370   HD21  LEU  49          HD21      LEU  49   0.360   2.609  -4.442
  371   HD22  LEU  49          HD22      LEU  49  -0.796   1.517  -5.175
  372   HD23  LEU  49          HD23      LEU  49  -1.343   2.736  -4.032
  373    H    GLU  50           H        GLU  50  -3.114   6.317  -4.900
  374    HA   GLU  50           HA       GLU  50  -5.549   5.728  -6.141
  375    HB2  GLU  50           HB3      GLU  50  -5.268   8.111  -4.304
  376    HB3  GLU  50           HB2      GLU  50  -6.791   7.433  -4.795
  377    HG2  GLU  50           HG3      GLU  50  -6.272   5.380  -3.607
  378    HG3  GLU  50           HG2      GLU  50  -4.712   6.065  -3.120
  379    H    SER  51           H        SER  51  -4.128   8.483  -6.148
  380    HA   SER  51           HA       SER  51  -5.751  10.143  -7.868
  381    HB2  SER  51           HB3      SER  51  -2.741  10.554  -7.709
  382    HB3  SER  51           HB2      SER  51  -3.862  11.667  -8.513
  383    HG   SER  51           HG       SER  51  -3.695  10.953  -5.781
  384    H    HIS  52           H        HIS  52  -3.396   7.790  -8.687
  385    HA   HIS  52           HA       HIS  52  -4.175   8.000 -11.495
  386    HB2  HIS  52           HB3      HIS  52  -1.779   6.625 -10.309
  387    HB3  HIS  52           HB2      HIS  52  -2.187   6.463 -12.059
  388    HD1  HIS  52           HD1      HIS  52   0.064   7.649 -12.823
  389    HD2  HIS  52           HD2      HIS  52  -2.091   9.565  -9.891
  390    HE1  HIS  52           HE1      HIS  52   1.271   9.802 -12.512
  391    H    ASN  53           H        ASN  53  -4.310   5.633 -12.564
  392    HA   ASN  53           HA       ASN  53  -6.237   4.336 -10.879
  393    HB2  ASN  53           HB3      ASN  53  -5.565   3.805 -13.779
  394    HB3  ASN  53           HB2      ASN  53  -6.794   2.938 -12.870
  395   HD21  ASN  53          HD22      ASN  53  -6.516   5.107 -15.153
  396   HD22  ASN  53          HD21      ASN  53  -7.839   6.176 -14.820
  397    H    LYS  54           H        LYS  54  -3.898   4.004  -9.763
  398    HA   LYS  54           HA       LYS  54  -3.044   1.456 -10.475
  399    HB2  LYS  54           HB3      LYS  54  -1.757   3.385  -8.574
  400    HB3  LYS  54           HB2      LYS  54  -1.287   1.678  -8.759
  401    HG2  LYS  54           HG3      LYS  54  -1.486   3.582 -11.056
  402    HG3  LYS  54           HG2      LYS  54   0.026   3.189 -10.185
  403    HD2  LYS  54           HD3      LYS  54  -0.185   0.870 -10.735
  404    HD3  LYS  54           HD2      LYS  54  -1.825   1.163 -11.315
  405    HE2  LYS  54           HE3      LYS  54  -1.365   2.196 -12.843
  406    HE3  LYS  54           HE2      LYS  54   0.412   2.525 -12.647
  407    HZ1  LYS  54           HZ1      LYS  54   0.733   0.074 -13.011
  408    HZ2  LYS  54           HZ2      LYS  54  -0.079   0.690 -14.355
  409    HZ3  LYS  54           HZ3      LYS  54  -0.937  -0.150 -13.182
  410    H    LEU  55           H        LEU  55  -4.922   3.099  -8.175
  411    HA   LEU  55           HA       LEU  55  -5.556   0.678  -6.793
  412    HB2  LEU  55           HB3      LEU  55  -3.480   1.174  -5.672
  413    HB3  LEU  55           HB2      LEU  55  -3.944   2.824  -5.386
  414    HG   LEU  55           HG       LEU  55  -5.297   0.453  -4.036
  415   HD11  LEU  55          HD11      LEU  55  -2.961   0.478  -3.406
  416   HD12  LEU  55          HD12      LEU  55  -3.878   1.120  -2.054
  417   HD13  LEU  55          HD13      LEU  55  -2.987   2.216  -3.124
  418   HD21  LEU  55          HD21      LEU  55  -5.337   3.405  -3.603
  419   HD22  LEU  55          HD22      LEU  55  -5.554   2.322  -2.234
  420   HD23  LEU  55          HD23      LEU  55  -6.692   2.267  -3.604
  421    H    ASP  56           H        ASP  56  -7.437   0.826  -7.011
  422    HA   ASP  56           HA       ASP  56  -9.045   3.042  -6.372
  423    HB2  ASP  56           HB3      ASP  56  -9.632   0.370  -7.420
  424    HB3  ASP  56           HB2      ASP  56 -10.943   1.232  -6.622
  425    H    LYS  57           H        LYS  57 -10.728   2.878  -4.982
  426    HA   LYS  57           HA       LYS  57 -10.082   2.475  -2.290
  427    HB2  LYS  57           HB3      LYS  57 -12.377   2.848  -1.740
  428    HB3  LYS  57           HB2      LYS  57 -11.907   3.937  -3.033
  429    HG2  LYS  57           HG3      LYS  57 -13.448   1.420  -3.291
  430    HG3  LYS  57           HG2      LYS  57 -14.174   3.041  -3.360
  431    HD2  LYS  57           HD3      LYS  57 -12.632   3.401  -5.345
  432    HD3  LYS  57           HD2      LYS  57 -12.252   1.690  -5.192
  433    HE2  LYS  57           HE3      LYS  57 -13.956   2.062  -6.956
  434    HE3  LYS  57           HE2      LYS  57 -14.608   1.088  -5.639
  435    HZ1  LYS  57           HZ1      LYS  57 -15.390   3.680  -6.572
  436    HZ2  LYS  57           HZ2      LYS  57 -15.158   3.654  -4.905
  437    HZ3  LYS  57           HZ3      LYS  57 -16.264   2.585  -5.585
  438    H    ASP  58           H        ASP  58 -11.116   0.087  -4.605
  439    HA   ASP  58           HA       ASP  58 -11.631  -1.811  -2.512
  440    HB2  ASP  58           HB3      ASP  58 -12.838  -3.145  -4.292
  441    HB3  ASP  58           HB2      ASP  58 -13.591  -1.621  -3.859
  442    H    ASN  59           H        ASN  59  -9.838  -1.118  -5.306
  443    HA   ASN  59           HA       ASN  59  -8.543  -3.703  -5.338
  444    HB2  ASN  59           HB3      ASN  59  -8.163  -1.280  -7.026
  445    HB3  ASN  59           HB2      ASN  59  -7.198  -2.754  -7.238
  446   HD21  ASN  59          HD22      ASN  59 -10.144  -1.242  -7.794
  447   HD22  ASN  59          HD21      ASN  59 -10.977  -2.508  -8.567
  448    H    LEU  60           H        LEU  60  -6.847  -4.300  -4.724
  449    HA   LEU  60           HA       LEU  60  -4.858  -2.566  -3.433
  450    HB2  LEU  60           HB3      LEU  60  -4.713  -4.213  -1.552
  451    HB3  LEU  60           HB2      LEU  60  -6.154  -3.237  -1.647
  452    HG   LEU  60           HG       LEU  60  -7.368  -5.196  -2.595
  453   HD11  LEU  60          HD11      LEU  60  -5.513  -7.222  -1.691
  454   HD12  LEU  60          HD12      LEU  60  -4.877  -6.225  -3.008
  455   HD13  LEU  60          HD13      LEU  60  -6.403  -7.076  -3.220
  456   HD21  LEU  60          HD21      LEU  60  -6.911  -4.581  -0.076
  457   HD22  LEU  60          HD22      LEU  60  -6.257  -6.224  -0.063
  458   HD23  LEU  60          HD23      LEU  60  -7.933  -5.926  -0.574
  459    H    SER  61           H        SER  61  -5.175  -5.317  -5.203
  460    HA   SER  61           HA       SER  61  -3.110  -6.948  -4.680
  461    HB2  SER  61           HB3      SER  61  -3.059  -7.713  -7.080
  462    HB3  SER  61           HB2      SER  61  -4.661  -7.617  -6.358
  463    HG   SER  61           HG       SER  61  -3.782  -6.405  -8.520
  464    H    TYR  62           H        TYR  62  -2.715  -4.174  -6.459
  465    HA   TYR  62           HA       TYR  62   0.032  -4.509  -7.237
  466    HB2  TYR  62           HB3      TYR  62  -1.141  -2.716  -8.322
  467    HB3  TYR  62           HB2      TYR  62  -1.551  -1.949  -6.795
  468    HD1  TYR  62           HD2      TYR  62   1.724  -3.101  -6.985
  469    HD2  TYR  62           HD1      TYR  62  -0.671   0.173  -7.948
  470    HE1  TYR  62           HE2      TYR  62   3.796  -1.711  -7.181
  471    HE2  TYR  62           HE1      TYR  62   1.394   1.595  -8.208
  472    HH   TYR  62           HH       TYR  62   4.440   0.359  -8.402
  473    H    ILE  63           H        ILE  63  -1.326  -3.020  -4.475
  474    HA   ILE  63           HA       ILE  63   1.203  -2.422  -3.293
  475    HB   ILE  63           HB       ILE  63   0.076  -1.214  -1.641
  476   HG12  ILE  63          HG13      ILE  63  -2.551  -2.465  -2.447
  477   HG13  ILE  63          HG12      ILE  63  -1.597  -3.106  -1.114
  478   HG21  ILE  63          HG21      ILE  63  -1.799  -1.015  -3.823
  479   HG22  ILE  63          HG22      ILE  63  -0.107  -0.700  -4.127
  480   HG23  ILE  63          HG23      ILE  63  -0.983   0.259  -2.888
  481   HD11  ILE  63          HD11      ILE  63  -1.526  -0.816  -0.254
  482   HD12  ILE  63          HD12      ILE  63  -3.069  -1.659  -0.100
  483   HD13  ILE  63          HD13      ILE  63  -2.827  -0.414  -1.388
  484    H    GLU  64           H        GLU  64  -1.060  -4.900  -3.195
  485    HA   GLU  64           HA       GLU  64  -0.478  -6.098  -0.609
  486    HB2  GLU  64           HB3      GLU  64  -2.527  -6.733  -1.877
  487    HB3  GLU  64           HB2      GLU  64  -1.512  -7.419  -3.143
  488    HG2  GLU  64           HG3      GLU  64  -0.697  -9.096  -1.489
  489    HG3  GLU  64           HG2      GLU  64  -1.798  -8.414  -0.302
  490    H    HIS  65           H        HIS  65   0.566  -6.880  -3.914
  491    HA   HIS  65           HA       HIS  65   2.766  -8.550  -3.383
  492    HB2  HIS  65           HB3      HIS  65   1.691  -7.893  -5.581
  493    HB3  HIS  65           HB2      HIS  65   2.342  -6.290  -5.338
  494    HD1  HIS  65           HD1      HIS  65   3.722  -9.813  -5.650
  495    HD2  HIS  65           HD2      HIS  65   4.556  -5.866  -6.553
  496    HE1  HIS  65           HE1      HIS  65   5.855  -9.897  -6.982
  497    H    ILE  66           H        ILE  66   2.939  -5.192  -3.749
  498    HA   ILE  66           HA       ILE  66   5.464  -4.810  -3.185
  499    HB   ILE  66           HB       ILE  66   3.322  -3.100  -2.039
  500   HG12  ILE  66          HG13      ILE  66   3.127  -3.575  -4.234
  501   HG13  ILE  66          HG12      ILE  66   3.530  -1.825  -4.200
  502   HG21  ILE  66          HG21      ILE  66   5.062  -1.192  -2.170
  503   HG22  ILE  66          HG22      ILE  66   6.307  -2.421  -2.304
  504   HG23  ILE  66          HG23      ILE  66   5.318  -2.338  -0.881
  505   HD11  ILE  66          HD11      ILE  66   5.881  -3.328  -4.548
  506   HD12  ILE  66          HD12      ILE  66   5.022  -2.325  -5.725
  507   HD13  ILE  66          HD13      ILE  66   4.615  -4.043  -5.606
  508    H    PHE  67           H        PHE  67   2.948  -5.070  -0.537
  509    HA   PHE  67           HA       PHE  67   4.868  -4.792   1.335
  510    HB2  PHE  67           HB3      PHE  67   2.093  -5.950   1.536
  511    HB3  PHE  67           HB2      PHE  67   3.129  -5.455   2.890
  512    HD1  PHE  67           HD1      PHE  67   4.009  -2.981   2.665
  513    HD2  PHE  67           HD2      PHE  67   0.557  -4.566   0.874
  514    HE1  PHE  67           HE1      PHE  67   3.088  -0.664   2.425
  515    HE2  PHE  67           HE2      PHE  67  -0.383  -2.267   0.624
  516    HZ   PHE  67           HZ       PHE  67   0.880  -0.344   1.396
  517    H    GLU  68           H        GLU  68   3.912  -7.658  -0.638
  518    HA   GLU  68           HA       GLU  68   4.855  -9.671   1.188
  519    HB2  GLU  68           HB3      GLU  68   3.186 -10.038  -0.597
  520    HB3  GLU  68           HB2      GLU  68   4.317  -9.465  -1.787
  521    HG2  GLU  68           HG3      GLU  68   5.760 -11.434  -1.232
  522    HG3  GLU  68           HG2      GLU  68   4.465 -12.009  -0.185
  523    H    ILE  69           H        ILE  69   6.033  -8.307  -1.819
  524    HA   ILE  69           HA       ILE  69   8.437  -9.543  -1.746
  525    HB   ILE  69           HB       ILE  69   9.208  -8.018  -3.445
  526   HG12  ILE  69          HG13      ILE  69   6.579  -6.636  -3.000
  527   HG13  ILE  69          HG12      ILE  69   8.157  -5.931  -2.647
  528   HG21  ILE  69          HG21      ILE  69   6.837  -8.399  -4.743
  529   HG22  ILE  69          HG22      ILE  69   6.774  -9.580  -3.428
  530   HG23  ILE  69          HG23      ILE  69   8.111  -9.618  -4.576
  531   HD11  ILE  69          HD11      ILE  69   7.953  -6.993  -5.255
  532   HD12  ILE  69          HD12      ILE  69   8.516  -5.399  -4.736
  533   HD13  ILE  69          HD13      ILE  69   6.766  -5.686  -4.974
  534    H    SER  70           H        SER  70   7.640  -6.561  -0.242
  535    HA   SER  70           HA       SER  70  10.378  -5.832   0.324
  536    HB2  SER  70           HB3      SER  70   7.756  -4.797   1.456
  537    HB3  SER  70           HB2      SER  70   9.345  -4.036   1.618
  538    HG   SER  70           HG       SER  70   7.700  -4.334  -0.614
  539    H    ARG  71           H        ARG  71  11.327  -6.166   2.407
  540    HA   ARG  71           HA       ARG  71  10.228  -8.351   3.830
  541    HB2  ARG  71           HB3      ARG  71  12.781  -6.868   4.248
  542    HB3  ARG  71           HB2      ARG  71  12.248  -8.128   5.341
  543    HG2  ARG  71           HG3      ARG  71  12.777  -8.394   2.425
  544    HG3  ARG  71           HG2      ARG  71  13.818  -9.018   3.723
  545    HD2  ARG  71           HD3      ARG  71  11.687 -10.371   4.423
  546    HD3  ARG  71           HD2      ARG  71  11.082  -9.946   2.843
  547    HE   ARG  71           HE       ARG  71  13.675 -11.030   2.655
  548   HH11  ARG  71          HH11      ARG  71  10.258 -11.960   2.688
  549   HH12  ARG  71          HH12      ARG  71  10.576 -13.613   2.393
  550   HH21  ARG  71          HH22      ARG  71  14.079 -13.350   2.323
  551   HH22  ARG  71          HH21      ARG  71  12.723 -14.378   2.208
  552    H    ARG  72           H        ARG  72   8.360  -6.835   4.198
  553    HA   ARG  72           HA       ARG  72   8.412  -6.075   7.005
  554    HB2  ARG  72           HB3      ARG  72   9.030  -4.048   5.589
  555    HB3  ARG  72           HB2      ARG  72   7.444  -4.145   4.864
  556    HG2  ARG  72           HG3      ARG  72   7.568  -2.430   6.554
  557    HG3  ARG  72           HG2      ARG  72   6.398  -3.666   6.982
  558    HD2  ARG  72           HD3      ARG  72   7.840  -4.719   8.510
  559    HD3  ARG  72           HD2      ARG  72   9.235  -3.781   7.942
  560    HE   ARG  72           HE       ARG  72   7.568  -1.895   8.782
  561   HH11  ARG  72          HH11      ARG  72   8.062  -4.855  10.581
  562   HH12  ARG  72          HH12      ARG  72   8.732  -4.118  11.964
  563   HH21  ARG  72          HH22      ARG  72   8.361  -0.820  10.627
  564   HH22  ARG  72          HH21      ARG  72   8.844  -1.662  12.049
  565    HA   PRO  73           HA       PRO  73   4.761  -8.508   5.071
  566    HB2  PRO  73           HB2      PRO  73   5.302 -10.266   7.376
  567    HB3  PRO  73           HB3      PRO  73   5.005 -10.677   5.670
  568    HG2  PRO  73           HG3      PRO  73   7.432 -10.871   6.690
  569    HG3  PRO  73           HG2      PRO  73   7.168 -10.246   5.056
  570    HD2  PRO  73           HD3      PRO  73   7.698  -8.741   7.576
  571    HD3  PRO  73           HD2      PRO  73   8.403  -8.518   5.955
  572    H    ASP  74           H        ASP  74   5.322  -6.875   7.953
  573    HA   ASP  74           HA       ASP  74   3.141  -7.683   9.590
  574    HB2  ASP  74           HB3      ASP  74   4.573  -4.995   9.506
  575    HB3  ASP  74           HB2      ASP  74   3.676  -5.692  10.860
  576    H    LEU  75           H        LEU  75   3.787  -5.143   7.586
  577    HA   LEU  75           HA       LEU  75   1.209  -3.887   7.497
  578    HB2  LEU  75           HB3      LEU  75   3.471  -3.566   5.543
  579    HB3  LEU  75           HB2      LEU  75   1.940  -2.714   5.383
  580    HG   LEU  75           HG       LEU  75   2.389  -1.424   7.426
  581   HD11  LEU  75          HD11      LEU  75   3.955  -3.490   8.280
  582   HD12  LEU  75          HD12      LEU  75   4.027  -1.859   8.943
  583   HD13  LEU  75          HD13      LEU  75   5.186  -2.367   7.708
  584   HD21  LEU  75          HD21      LEU  75   4.736  -0.585   6.657
  585   HD22  LEU  75          HD22      LEU  75   3.261  -0.271   5.744
  586   HD23  LEU  75          HD23      LEU  75   4.351  -1.578   5.244
  587    H    LEU  76           H        LEU  76   2.714  -5.909   5.340
  588    HA   LEU  76           HA       LEU  76   0.742  -6.492   3.289
  589    HB2  LEU  76           HB3      LEU  76   2.932  -7.883   3.335
  590    HB3  LEU  76           HB2      LEU  76   2.090  -8.789   4.601
  591    HG   LEU  76           HG       LEU  76   0.300  -9.254   3.113
  592   HD11  LEU  76          HD11      LEU  76   1.190  -7.442   1.483
  593   HD12  LEU  76          HD12      LEU  76  -0.118  -8.586   1.300
  594   HD13  LEU  76          HD13      LEU  76   1.492  -8.959   0.639
  595   HD21  LEU  76          HD21      LEU  76   1.191 -11.221   2.864
  596   HD22  LEU  76          HD22      LEU  76   2.768 -10.561   3.289
  597   HD23  LEU  76          HD23      LEU  76   2.281 -10.634   1.588
  598    H    THR  77           H        THR  77   1.135  -8.134   6.167
  599    HA   THR  77           HA       THR  77  -1.020  -9.799   6.351
  600    HB   THR  77           HB       THR  77   0.193  -8.168   8.489
  601    HG1  THR  77           HG1      THR  77   1.740  -9.550   7.646
  602   HG21  THR  77          HG21      THR  77  -1.759  -8.850   9.334
  603   HG22  THR  77          HG22      THR  77  -0.617 -10.081   9.957
  604   HG23  THR  77          HG23      THR  77  -1.659 -10.436   8.534
  605    H    MET  78           H        MET  78  -0.940  -6.501   7.275
  606    HA   MET  78           HA       MET  78  -3.664  -6.364   8.077
  607    HB2  MET  78           HB3      MET  78  -1.829  -4.121   7.277
  608    HB3  MET  78           HB2      MET  78  -3.472  -3.894   7.899
  609    HG2  MET  78           HG3      MET  78  -1.332  -5.398   9.340
  610    HG3  MET  78           HG2      MET  78  -1.744  -3.681   9.669
  611    HE1  MET  78           HE1      MET  78  -2.724  -6.193  12.559
  612    HE2  MET  78           HE2      MET  78  -2.782  -4.440  12.631
  613    HE3  MET  78           HE3      MET  78  -1.429  -5.260  11.830
  614    H    VAL  79           H        VAL  79  -2.185  -5.954   4.929
  615    HA   VAL  79           HA       VAL  79  -4.555  -5.004   3.640
  616    HB   VAL  79           HB       VAL  79  -2.214  -6.509   2.448
  617   HG11  VAL  79          HG11      VAL  79  -2.750  -5.647   0.341
  618   HG12  VAL  79          HG12      VAL  79  -3.854  -4.444   1.018
  619   HG13  VAL  79          HG13      VAL  79  -4.294  -6.150   1.040
  620   HG21  VAL  79          HG21      VAL  79  -1.583  -3.949   1.872
  621   HG22  VAL  79          HG22      VAL  79  -1.014  -4.857   3.278
  622   HG23  VAL  79          HG23      VAL  79  -2.374  -3.760   3.449
  623    H    VAL  80           H        VAL  80  -2.889  -8.111   3.878
  624    HA   VAL  80           HA       VAL  80  -4.725  -9.791   2.582
  625    HB   VAL  80           HB       VAL  80  -2.889 -10.409   4.962
  626   HG11  VAL  80          HG11      VAL  80  -4.090 -12.382   3.016
  627   HG12  VAL  80          HG12      VAL  80  -4.726 -12.043   4.617
  628   HG13  VAL  80          HG13      VAL  80  -3.108 -12.727   4.457
  629   HG21  VAL  80          HG21      VAL  80  -1.201 -10.148   3.506
  630   HG22  VAL  80          HG22      VAL  80  -2.333  -9.879   2.183
  631   HG23  VAL  80          HG23      VAL  80  -1.855 -11.516   2.613
  632    H    ASP  81           H        ASP  81  -4.422  -9.157   5.823
  633    HA   ASP  81           HA       ASP  81  -6.810 -10.302   6.646
  634    HB2  ASP  81           HB3      ASP  81  -5.213  -8.445   8.358
  635    HB3  ASP  81           HB2      ASP  81  -6.807  -8.976   8.883
  636    H    TYR  82           H        TYR  82  -6.376  -7.117   5.747
  637    HA   TYR  82           HA       TYR  82  -8.921  -5.969   6.191
  638    HB2  TYR  82           HB3      TYR  82  -7.306  -4.594   5.257
  639    HB3  TYR  82           HB2      TYR  82  -7.012  -5.699   3.899
  640    HD1  TYR  82           HD2      TYR  82  -9.732  -3.555   5.378
  641    HD2  TYR  82           HD1      TYR  82  -7.926  -5.280   1.967
  642    HE1  TYR  82           HE2      TYR  82 -11.271  -2.344   3.965
  643    HE2  TYR  82           HE1      TYR  82  -9.442  -4.084   0.510
  644    HH   TYR  82           HH       TYR  82 -11.263  -2.840   0.430
  645    H    ARG  83           H        ARG  83  -7.737  -7.818   3.472
  646    HA   ARG  83           HA       ARG  83 -10.038  -7.902   1.974
  647    HB2  ARG  83           HB3      ARG  83  -8.113  -8.314   0.855
  648    HB3  ARG  83           HB2      ARG  83  -7.468  -9.350   2.093
  649    HG2  ARG  83           HG3      ARG  83  -9.738 -10.257   0.462
  650    HG3  ARG  83           HG2      ARG  83  -8.103 -10.257  -0.288
  651    HD2  ARG  83           HD3      ARG  83  -7.515 -11.593   1.846
  652    HD3  ARG  83           HD2      ARG  83  -9.246 -11.781   2.072
  653    HE   ARG  83           HE       ARG  83  -9.231 -13.364   0.476
  654   HH11  ARG  83          HH11      ARG  83  -6.254 -11.380  -0.001
  655   HH12  ARG  83          HH12      ARG  83  -5.801 -12.125  -1.449
  656   HH21  ARG  83          HH22      ARG  83  -8.472 -14.458  -1.566
  657   HH22  ARG  83          HH21      ARG  83  -7.049 -13.916  -2.322
  658    H    THR  84           H        THR  84  -8.858 -10.039   4.213
  659    HA   THR  84           HA       THR  84 -10.968 -11.957   4.226
  660    HB   THR  84           HB       THR  84  -9.101 -11.203   6.426
  661    HG1  THR  84           HG1      THR  84  -7.634 -12.256   5.315
  662   HG21  THR  84          HG21      THR  84 -10.229 -13.848   5.931
  663   HG22  THR  84          HG22      THR  84 -11.188 -12.558   6.692
  664   HG23  THR  84          HG23      THR  84  -9.661 -13.084   7.478
  665    H    ARG  85           H        ARG  85 -10.281  -9.780   6.533
  666    HA   ARG  85           HA       ARG  85 -12.374  -9.773   8.220
  667    HB2  ARG  85           HB3      ARG  85 -11.972  -7.570   9.282
  668    HB3  ARG  85           HB2      ARG  85 -10.437  -8.311   8.868
  669    HG2  ARG  85           HG3      ARG  85 -10.338  -6.836   6.859
  670    HG3  ARG  85           HG2      ARG  85 -11.801  -6.027   7.412
  671    HD2  ARG  85           HD3      ARG  85 -10.717  -5.506   9.473
  672    HD3  ARG  85           HD2      ARG  85  -9.214  -6.265   8.887
  673    HE   ARG  85           HE       ARG  85 -10.233  -4.102   7.212
  674   HH11  ARG  85          HH11      ARG  85  -7.883  -4.743   9.857
  675   HH12  ARG  85          HH12      ARG  85  -7.299  -3.137   9.853
  676   HH21  ARG  85          HH22      ARG  85  -9.322  -1.767   7.397
  677   HH22  ARG  85          HH21      ARG  85  -8.071  -1.555   8.556
  678    H    VAL  86           H        VAL  86 -12.115  -7.663   5.853
  679    HA   VAL  86           HA       VAL  86 -14.669  -6.551   5.876
  680    HB   VAL  86           HB       VAL  86 -12.796  -6.574   3.517
  681   HG11  VAL  86          HG11      VAL  86 -15.542  -5.946   3.441
  682   HG12  VAL  86          HG12      VAL  86 -14.371  -5.481   2.210
  683   HG13  VAL  86          HG13      VAL  86 -14.755  -4.379   3.534
  684   HG21  VAL  86          HG21      VAL  86 -13.165  -4.003   4.593
  685   HG22  VAL  86          HG22      VAL  86 -11.751  -5.054   4.703
  686   HG23  VAL  86          HG23      VAL  86 -12.983  -5.104   5.961
  687    H    LEU  87           H        LEU  87 -13.407  -9.347   4.216
  688    HA   LEU  87           HA       LEU  87 -15.519 -10.132   2.526
  689    HB2  LEU  87           HB3      LEU  87 -13.102 -10.901   2.639
  690    HB3  LEU  87           HB2      LEU  87 -13.445 -11.645   4.144
  691    HG   LEU  87           HG       LEU  87 -13.150 -13.281   2.437
  692   HD11  LEU  87          HD11      LEU  87 -16.057 -13.531   2.786
  693   HD12  LEU  87          HD12      LEU  87 -15.003 -13.497   4.220
  694   HD13  LEU  87          HD13      LEU  87 -14.745 -14.705   2.975
  695   HD21  LEU  87          HD21      LEU  87 -13.617 -12.035   0.544
  696   HD22  LEU  87          HD22      LEU  87 -15.316 -11.826   0.975
  697   HD23  LEU  87          HD23      LEU  87 -14.707 -13.434   0.526
  698    H    LYS  88           H        LYS  88 -14.595 -10.904   5.812
  699    HA   LYS  88           HA       LYS  88 -16.640 -12.551   6.614
  700    HB2  LYS  88           HB3      LYS  88 -14.402 -12.211   7.723
  701    HB3  LYS  88           HB2      LYS  88 -14.978 -10.678   8.321
  702    HG2  LYS  88           HG3      LYS  88 -16.153 -13.333   9.081
  703    HG3  LYS  88           HG2      LYS  88 -14.862 -12.510   9.970
  704    HD2  LYS  88           HD3      LYS  88 -16.440 -10.659  10.425
  705    HD3  LYS  88           HD2      LYS  88 -17.683 -11.552   9.530
  706    HE2  LYS  88           HE3      LYS  88 -17.937 -11.879  11.937
  707    HE3  LYS  88           HE2      LYS  88 -17.541 -13.375  11.092
  708    HZ1  LYS  88           HZ1      LYS  88 -15.238 -11.909  12.138
  709    HZ2  LYS  88           HZ2      LYS  88 -15.560 -13.558  12.133
  710    HZ3  LYS  88           HZ3      LYS  88 -16.243 -12.570  13.292
  711    H    ILE  89           H        ILE  89 -16.449  -9.025   6.654
  712    HA   ILE  89           HA       ILE  89 -18.751  -8.540   8.189
  713    HB   ILE  89           HB       ILE  89 -17.021  -7.187   6.251
  714   HG12  ILE  89          HG13      ILE  89 -17.324  -6.733   9.216
  715   HG13  ILE  89          HG12      ILE  89 -15.984  -7.494   8.347
  716   HG21  ILE  89          HG21      ILE  89 -19.161  -6.266   5.909
  717   HG22  ILE  89          HG22      ILE  89 -18.103  -5.021   6.584
  718   HG23  ILE  89          HG23      ILE  89 -19.345  -5.784   7.607
  719   HD11  ILE  89          HD11      ILE  89 -15.944  -4.960   9.222
  720   HD12  ILE  89          HD12      ILE  89 -16.621  -4.695   7.627
  721   HD13  ILE  89          HD13      ILE  89 -15.053  -5.487   7.796
  722    H    SER  90           H        SER  90 -17.941  -8.719   4.766
  723    HA   SER  90           HA       SER  90 -20.683  -8.280   3.947
  724    HB2  SER  90           HB3      SER  90 -18.217  -8.993   2.392
  725    HB3  SER  90           HB2      SER  90 -19.748  -8.398   1.717
  726    HG   SER  90           HG       SER  90 -18.822  -6.791   3.646
  Start of MODEL   19
    1    H1   MET   1           H        MET   1 -16.348   2.190   1.648
    2    H2   MET   1           H2       MET   1 -15.873   1.206   0.393
    3    H3   MET   1           H3       MET   1 -15.366   0.885   1.943
    4    HA   MET   1           HA       MET   1 -13.687   1.992   0.414
    5    HB2  MET   1           HB3      MET   1 -15.529   4.302   1.002
    6    HB3  MET   1           HB2      MET   1 -13.899   4.517   0.393
    7    HG2  MET   1           HG3      MET   1 -14.481   3.280  -1.620
    8    HG3  MET   1           HG2      MET   1 -16.124   3.054  -1.004
    9    HE1  MET   1           HE1      MET   1 -13.441   5.697  -2.180
   10    HE2  MET   1           HE2      MET   1 -13.934   6.366  -0.625
   11    HE3  MET   1           HE3      MET   1 -14.371   7.197  -2.121
   12    H    ALA   2           H        ALA   2 -15.305   3.049   3.227
   13    HA   ALA   2           HA       ALA   2 -13.119   4.385   4.485
   14    HB1  ALA   2           HB1      ALA   2 -15.121   3.110   6.327
   15    HB2  ALA   2           HB2      ALA   2 -15.645   4.414   5.268
   16    HB3  ALA   2           HB3      ALA   2 -14.370   4.697   6.443
   17    H    GLU   3           H        GLU   3 -14.201   1.212   5.396
   18    HA   GLU   3           HA       GLU   3 -12.342   0.385   7.036
   19    HB2  GLU   3           HB3      GLU   3 -13.043  -1.344   4.641
   20    HB3  GLU   3           HB2      GLU   3 -12.462  -1.913   6.176
   21    HG2  GLU   3           HG3      GLU   3 -14.797  -2.480   5.979
   22    HG3  GLU   3           HG2      GLU   3 -14.633  -1.234   7.183
   23    H    TYR   4           H        TYR   4 -12.145   0.363   3.892
   24    HA   TYR   4           HA       TYR   4  -9.447  -0.477   3.301
   25    HB2  TYR   4           HB3      TYR   4 -11.039  -0.371   1.414
   26    HB3  TYR   4           HB2      TYR   4 -10.886   1.405   1.384
   27    HD1  TYR   4           HD1      TYR   4  -8.548  -1.461   1.658
   28    HD2  TYR   4           HD2      TYR   4  -9.617   2.004  -0.596
   29    HE1  TYR   4           HE1      TYR   4  -6.646  -1.854   0.205
   30    HE2  TYR   4           HE2      TYR   4  -7.668   1.611  -2.065
   31    HH   TYR   4           HH       TYR   4  -6.271  -0.544  -2.721
   32    H    GLY   5           H        GLY   5 -10.871   2.597   3.501
   33    HA2  GLY   5           HA3      GLY   5  -8.729   4.426   3.209
   34    HA3  GLY   5           HA2      GLY   5 -10.089   4.756   4.271
   35    H    THR   6           H        THR   6  -9.821   2.909   6.319
   36    HA   THR   6           HA       THR   6  -7.665   3.872   7.865
   37    HB   THR   6           HB       THR   6  -9.429   1.478   8.169
   38    HG1  THR   6           HG1      THR   6  -9.959   4.116   8.108
   39   HG21  THR   6          HG21      THR   6  -8.338   3.232  10.282
   40   HG22  THR   6          HG22      THR   6  -7.372   1.918   9.594
   41   HG23  THR   6          HG23      THR   6  -8.921   1.551  10.406
   42    H    LEU   7           H        LEU   7  -8.265   0.939   6.288
   43    HA   LEU   7           HA       LEU   7  -6.051  -0.692   6.883
   44    HB2  LEU   7           HB3      LEU   7  -7.582  -1.530   5.212
   45    HB3  LEU   7           HB2      LEU   7  -7.059  -0.300   4.067
   46    HG   LEU   7           HG       LEU   7  -4.845  -1.343   4.043
   47   HD11  LEU   7          HD11      LEU   7  -5.794  -3.869   5.082
   48   HD12  LEU   7          HD12      LEU   7  -5.525  -2.596   6.282
   49   HD13  LEU   7          HD13      LEU   7  -4.221  -3.100   5.194
   50   HD21  LEU   7          HD21      LEU   7  -5.541  -2.287   2.225
   51   HD22  LEU   7          HD22      LEU   7  -7.195  -2.083   2.773
   52   HD23  LEU   7          HD23      LEU   7  -6.314  -3.594   3.105
   53    H    LEU   8           H        LEU   8  -6.045   1.469   4.428
   54    HA   LEU   8           HA       LEU   8  -3.249   1.586   3.729
   55    HB2  LEU   8           HB3      LEU   8  -5.187   3.895   3.374
   56    HB3  LEU   8           HB2      LEU   8  -3.494   3.877   2.924
   57    HG   LEU   8           HG       LEU   8  -3.844   2.286   1.170
   58   HD11  LEU   8          HD11      LEU   8  -6.494   1.761   0.921
   59   HD12  LEU   8          HD12      LEU   8  -6.226   1.647   2.650
   60   HD13  LEU   8          HD13      LEU   8  -5.272   0.652   1.559
   61   HD21  LEU   8          HD21      LEU   8  -5.349   3.434  -0.284
   62   HD22  LEU   8          HD22      LEU   8  -4.532   4.626   0.721
   63   HD23  LEU   8          HD23      LEU   8  -6.182   4.188   1.083
   64    H    GLN   9           H        GLN   9  -5.055   3.354   6.049
   65    HA   GLN   9           HA       GLN   9  -2.989   4.982   7.006
   66    HB2  GLN   9           HB3      GLN   9  -5.060   5.961   7.044
   67    HB3  GLN   9           HB2      GLN   9  -5.840   4.466   7.553
   68    HG2  GLN   9           HG3      GLN   9  -5.485   4.732   9.528
   69    HG3  GLN   9           HG2      GLN   9  -3.990   5.746   9.485
   70   HE21  GLN   9          HE22      GLN   9  -4.338   7.848   9.598
   71   HE22  GLN   9          HE21      GLN   9  -5.865   8.640   9.741
   72    H    ASP  10           H        ASP  10  -4.053   2.089   7.735
   73    HA   ASP  10           HA       ASP  10  -3.023   1.869  10.433
   74    HB2  ASP  10           HB3      ASP  10  -4.522  -0.241   8.942
   75    HB3  ASP  10           HB2      ASP  10  -3.551  -0.634  10.351
   76    H    LEU  11           H        LEU  11  -2.063   0.772   7.288
   77    HA   LEU  11           HA       LEU  11   0.244  -0.449   8.388
   78    HB2  LEU  11           HB3      LEU  11   0.913  -0.914   6.125
   79    HB3  LEU  11           HB2      LEU  11  -0.680  -1.586   6.486
   80    HG   LEU  11           HG       LEU  11  -1.465   0.559   5.263
   81   HD11  LEU  11          HD11      LEU  11   1.287   0.833   5.162
   82   HD12  LEU  11          HD12      LEU  11   0.070   1.839   4.395
   83   HD13  LEU  11          HD13      LEU  11   0.788   0.486   3.504
   84   HD21  LEU  11          HD21      LEU  11  -1.771  -0.730   3.347
   85   HD22  LEU  11          HD22      LEU  11  -1.520  -1.955   4.607
   86   HD23  LEU  11          HD23      LEU  11  -0.198  -1.505   3.511
   87    H    THR  12           H        THR  12  -0.786   2.397   7.185
   88    HA   THR  12           HA       THR  12   1.645   3.834   6.775
   89    HB   THR  12           HB       THR  12  -1.178   4.618   7.076
   90    HG1  THR  12           HG1      THR  12  -0.846   3.968   5.149
   91   HG21  THR  12          HG21      THR  12   0.080   6.796   6.069
   92   HG22  THR  12          HG22      THR  12   1.007   6.342   7.549
   93   HG23  THR  12          HG23      THR  12  -0.769   6.583   7.663
   94    H    ASN  13           H        ASN  13  -0.374   3.193   9.521
   95    HA   ASN  13           HA       ASN  13   0.857   4.984  11.406
   96    HB2  ASN  13           HB3      ASN  13  -0.524   2.332  12.023
   97    HB3  ASN  13           HB2      ASN  13   0.034   3.453  13.236
   98   HD21  ASN  13          HD22      ASN  13  -2.612   2.313  12.101
   99   HD22  ASN  13          HD21      ASN  13  -3.664   3.658  12.003
  100    H    ASN  14           H        ASN  14   1.557   1.872  10.213
  101    HA   ASN  14           HA       ASN  14   3.812   1.489  12.011
  102    HB2  ASN  14           HB3      ASN  14   2.797  -0.258   9.729
  103    HB3  ASN  14           HB2      ASN  14   4.147  -0.655  10.771
  104   HD21  ASN  14          HD22      ASN  14   0.947  -1.083  10.303
  105   HD22  ASN  14          HD21      ASN  14   0.495  -1.641  11.865
  106    H    ILE  15           H        ILE  15   3.223   2.837   8.964
  107    HA   ILE  15           HA       ILE  15   5.706   2.284   7.759
  108    HB   ILE  15           HB       ILE  15   3.378   4.030   7.086
  109   HG12  ILE  15          HG13      ILE  15   3.350   1.650   6.559
  110   HG13  ILE  15          HG12      ILE  15   3.216   2.657   5.126
  111   HG21  ILE  15          HG21      ILE  15   4.494   5.499   5.916
  112   HG22  ILE  15          HG22      ILE  15   4.929   4.175   4.830
  113   HG23  ILE  15          HG23      ILE  15   6.025   4.630   6.143
  114   HD11  ILE  15          HD11      ILE  15   5.977   2.033   5.777
  115   HD12  ILE  15          HD12      ILE  15   5.082   1.912   4.268
  116   HD13  ILE  15          HD13      ILE  15   5.014   0.586   5.454
  117    H    THR  16           H        THR  16   7.571   3.241   8.346
  118    HA   THR  16           HA       THR  16   7.709   5.944   9.305
  119    HB   THR  16           HB       THR  16  10.050   5.514   9.561
  120    HG1  THR  16           HG1      THR  16  10.029   2.809   8.950
  121   HG21  THR  16          HG21      THR  16   8.677   3.077  10.488
  122   HG22  THR  16          HG22      THR  16   8.447   4.694  11.216
  123   HG23  THR  16          HG23      THR  16  10.075   3.947  11.234
  124    H    LEU  17           H        LEU  17   9.137   7.091   8.216
  125    HA   LEU  17           HA       LEU  17   8.871   7.398   5.400
  126    HB2  LEU  17           HB3      LEU  17   9.934   9.194   6.717
  127    HB3  LEU  17           HB2      LEU  17  11.366   8.212   6.927
  128    HG   LEU  17           HG       LEU  17  11.806   8.327   4.488
  129   HD11  LEU  17          HD11      LEU  17   9.958   8.657   3.273
  130   HD12  LEU  17          HD12      LEU  17  10.391  10.357   3.464
  131   HD13  LEU  17          HD13      LEU  17   9.174   9.642   4.506
  132   HD21  LEU  17          HD21      LEU  17  11.655  10.716   6.222
  133   HD22  LEU  17          HD22      LEU  17  12.003  10.988   4.516
  134   HD23  LEU  17          HD23      LEU  17  13.065   9.962   5.478
  135    H    GLU  18           H        GLU  18  11.465   5.784   7.121
  136    HA   GLU  18           HA       GLU  18  12.677   4.715   4.782
  137    HB2  GLU  18           HB3      GLU  18  13.104   3.757   7.610
  138    HB3  GLU  18           HB2      GLU  18  14.028   3.222   6.215
  139    HG2  GLU  18           HG3      GLU  18  14.713   5.529   5.772
  140    HG3  GLU  18           HG2      GLU  18  13.851   6.064   7.200
  141    H    ASP  19           H        ASP  19  10.563   3.110   6.990
  142    HA   ASP  19           HA       ASP  19  10.347   0.583   5.643
  143    HB2  ASP  19           HB3      ASP  19   8.131   2.083   7.147
  144    HB3  ASP  19           HB2      ASP  19   7.885   0.468   6.492
  145    H    LEU  20           H        LEU  20   8.216   3.360   5.121
  146    HA   LEU  20           HA       LEU  20   7.063   2.463   2.833
  147    HB2  LEU  20           HB3      LEU  20   6.694   4.817   3.885
  148    HB3  LEU  20           HB2      LEU  20   8.089   5.217   2.845
  149    HG   LEU  20           HG       LEU  20   6.975   4.415   0.932
  150   HD11  LEU  20          HD11      LEU  20   4.520   4.072   0.946
  151   HD12  LEU  20          HD12      LEU  20   4.554   4.073   2.705
  152   HD13  LEU  20          HD13      LEU  20   5.388   2.816   1.822
  153   HD21  LEU  20          HD21      LEU  20   5.854   6.650   2.539
  154   HD22  LEU  20          HD22      LEU  20   5.248   6.306   0.919
  155   HD23  LEU  20          HD23      LEU  20   6.945   6.693   1.145
  156    H    GLU  21           H        GLU  21  10.168   4.006   3.114
  157    HA   GLU  21           HA       GLU  21  10.635   4.061   0.352
  158    HB2  GLU  21           HB3      GLU  21  12.749   4.180   2.515
  159    HB3  GLU  21           HB2      GLU  21  13.101   4.323   0.786
  160    HG2  GLU  21           HG3      GLU  21  11.514   6.235   0.703
  161    HG3  GLU  21           HG2      GLU  21  11.389   6.113   2.454
  162    H    GLN  22           H        GLN  22  11.070   1.752   2.561
  163    HA   GLN  22           HA       GLN  22  12.504  -0.198   1.013
  164    HB2  GLN  22           HB3      GLN  22  12.020  -0.470   3.499
  165    HB3  GLN  22           HB2      GLN  22  10.372  -0.914   3.035
  166    HG2  GLN  22           HG3      GLN  22  11.511  -3.009   3.306
  167    HG3  GLN  22           HG2      GLN  22  11.419  -2.623   1.570
  168   HE21  GLN  22          HE22      GLN  22  13.046  -3.105   0.524
  169   HE22  GLN  22          HE21      GLN  22  14.689  -2.880   1.066
  170    H    LEU  23           H        LEU  23   8.946   0.387   1.470
  171    HA   LEU  23           HA       LEU  23   8.045  -1.489  -0.324
  172    HB2  LEU  23           HB3      LEU  23   6.942   1.217   0.425
  173    HB3  LEU  23           HB2      LEU  23   6.064  -0.046  -0.417
  174    HG   LEU  23           HG       LEU  23   7.095  -0.152   2.385
  175   HD11  LEU  23          HD11      LEU  23   4.315   0.031   1.316
  176   HD12  LEU  23          HD12      LEU  23   5.211   1.403   1.957
  177   HD13  LEU  23          HD13      LEU  23   4.782   0.050   3.016
  178   HD21  LEU  23          HD21      LEU  23   5.848  -2.212   2.580
  179   HD22  LEU  23          HD22      LEU  23   7.057  -2.345   1.302
  180   HD23  LEU  23          HD23      LEU  23   5.369  -2.103   0.884
  181    H    LYS  24           H        LYS  24   8.910   1.762  -0.575
  182    HA   LYS  24           HA       LYS  24   8.296   2.171  -3.359
  183    HB2  LYS  24           HB3      LYS  24  10.477   3.716  -1.872
  184    HB3  LYS  24           HB2      LYS  24   9.759   4.187  -3.401
  185    HG2  LYS  24           HG3      LYS  24   7.509   4.376  -2.168
  186    HG3  LYS  24           HG2      LYS  24   8.403   4.167  -0.672
  187    HD2  LYS  24           HD3      LYS  24   8.822   6.408  -2.645
  188    HD3  LYS  24           HD2      LYS  24   7.965   6.507  -1.109
  189    HE2  LYS  24           HE3      LYS  24  10.062   5.906   0.044
  190    HE3  LYS  24           HE2      LYS  24  10.886   5.886  -1.509
  191    HZ1  LYS  24           HZ1      LYS  24  10.376   8.241  -1.771
  192    HZ2  LYS  24           HZ2      LYS  24  11.224   7.955  -0.328
  193    HZ3  LYS  24           HZ3      LYS  24   9.560   8.244  -0.281
  194    H    SER  25           H        SER  25  10.939   1.397  -1.925
  195    HA   SER  25           HA       SER  25  12.912   0.750  -3.920
  196    HB2  SER  25           HB3      SER  25  12.759  -0.846  -1.304
  197    HB3  SER  25           HB2      SER  25  14.126  -0.890  -2.417
  198    HG   SER  25           HG       SER  25  13.141   1.324  -0.957
  199    H    ALA  26           H        ALA  26  10.764  -1.210  -2.456
  200    HA   ALA  26           HA       ALA  26  10.897  -3.478  -4.222
  201    HB1  ALA  26           HB1      ALA  26   9.214  -2.701  -2.029
  202    HB2  ALA  26           HB2      ALA  26   9.549  -4.319  -2.647
  203    HB3  ALA  26           HB3      ALA  26   8.226  -3.366  -3.331
  204    H    CYS  27           H        CYS  27   8.711  -0.647  -4.197
  205    HA   CYS  27           HA       CYS  27   7.389  -1.286  -6.597
  206    HB2  CYS  27           HB3      CYS  27   7.691   1.380  -5.314
  207    HB3  CYS  27           HB2      CYS  27   6.560   0.831  -6.551
  208    HG   CYS  27           HG       CYS  27   4.889  -0.425  -4.991
  209    H    LYS  28           H        LYS  28  10.510  -0.262  -6.346
  210    HA   LYS  28           HA       LYS  28  10.854   2.058  -7.579
  211    HB2  LYS  28           HB3      LYS  28  13.127   1.246  -8.287
  212    HB3  LYS  28           HB2      LYS  28  12.681   0.794  -6.638
  213    HG2  LYS  28           HG3      LYS  28  12.099  -1.433  -7.381
  214    HG3  LYS  28           HG2      LYS  28  12.506  -1.002  -9.040
  215    HD2  LYS  28           HD3      LYS  28  14.479  -1.001  -6.752
  216    HD3  LYS  28           HD2      LYS  28  14.279  -2.329  -7.891
  217    HE2  LYS  28           HE3      LYS  28  15.100   0.492  -8.578
  218    HE3  LYS  28           HE2      LYS  28  16.176  -0.907  -8.455
  219    HZ1  LYS  28           HZ1      LYS  28  14.429  -0.128 -10.607
  220    HZ2  LYS  28           HZ2      LYS  28  14.316  -1.793 -10.223
  221    HZ3  LYS  28           HZ3      LYS  28  15.792  -1.149 -10.629
  222    H    GLU  29           H        GLU  29  10.420  -0.917  -9.271
  223    HA   GLU  29           HA       GLU  29  10.606   0.323 -11.805
  224    HB2  GLU  29           HB3      GLU  29  10.082  -2.457 -10.969
  225    HB3  GLU  29           HB2      GLU  29  10.122  -1.952 -12.676
  226    HG2  GLU  29           HG3      GLU  29  12.345  -1.019 -12.420
  227    HG3  GLU  29           HG2      GLU  29  12.358  -1.371 -10.719
  228    H    ASP  30           H        ASP  30   7.899  -0.633  -9.790
  229    HA   ASP  30           HA       ASP  30   6.090  -0.143 -11.989
  230    HB2  ASP  30           HB3      ASP  30   5.479  -0.970  -9.159
  231    HB3  ASP  30           HB2      ASP  30   4.253  -0.562 -10.350
  232    H    ILE  31           H        ILE  31   6.834   1.525  -8.994
  233    HA   ILE  31           HA       ILE  31   5.014   3.588  -9.933
  234    HB   ILE  31           HB       ILE  31   4.881   2.702  -7.491
  235   HG12  ILE  31          HG13      ILE  31   3.911   4.917  -8.099
  236   HG13  ILE  31          HG12      ILE  31   4.438   4.803  -6.426
  237   HG21  ILE  31          HG21      ILE  31   6.466   2.895  -6.029
  238   HG22  ILE  31          HG22      ILE  31   6.961   4.488  -6.577
  239   HG23  ILE  31          HG23      ILE  31   7.526   3.020  -7.422
  240   HD11  ILE  31          HD11      ILE  31   5.017   6.852  -8.101
  241   HD12  ILE  31          HD12      ILE  31   6.444   5.799  -8.247
  242   HD13  ILE  31          HD13      ILE  31   5.916   6.401  -6.644
  243    HA   PRO  32           HA       PRO  32   8.321   5.267 -11.828
  244    HB2  PRO  32           HB2      PRO  32   7.615   8.012 -11.815
  245    HB3  PRO  32           HB3      PRO  32   7.248   6.769 -13.033
  246    HG2  PRO  32           HG3      PRO  32   5.629   7.736 -10.755
  247    HG3  PRO  32           HG2      PRO  32   5.118   7.246 -12.404
  248    HD2  PRO  32           HD3      PRO  32   4.759   5.738 -10.265
  249    HD3  PRO  32           HD2      PRO  32   5.136   5.028 -11.864
  250    H    SER  33           H        SER  33  10.135   6.013 -11.520
  251    HA   SER  33           HA       SER  33  11.495   6.369  -9.049
  252    HB2  SER  33           HB3      SER  33  12.764   5.895 -11.180
  253    HB3  SER  33           HB2      SER  33  12.447   7.540 -11.704
  254    HG   SER  33           HG       SER  33  14.470   6.668 -10.303
  255    H    GLU  34           H        GLU  34  10.633   8.714 -11.308
  256    HA   GLU  34           HA       GLU  34  10.987  11.246 -10.331
  257    HB2  GLU  34           HB3      GLU  34   9.861  10.687 -12.444
  258    HB3  GLU  34           HB2      GLU  34   8.438  10.215 -11.548
  259    HG2  GLU  34           HG3      GLU  34   8.205  12.532 -10.785
  260    HG3  GLU  34           HG2      GLU  34   9.562  12.992 -11.840
  261    H    LYS  35           H        LYS  35   8.409   9.338  -9.774
  262    HA   LYS  35           HA       LYS  35   7.161  10.972  -7.836
  263    HB2  LYS  35           HB3      LYS  35   6.349   8.237  -8.737
  264    HB3  LYS  35           HB2      LYS  35   5.352   9.261  -7.686
  265    HG2  LYS  35           HG3      LYS  35   6.376  10.013 -10.394
  266    HG3  LYS  35           HG2      LYS  35   4.733   9.399 -10.047
  267    HD2  LYS  35           HD3      LYS  35   4.405  11.251  -8.526
  268    HD3  LYS  35           HD2      LYS  35   6.014  11.855  -8.827
  269    HE2  LYS  35           HE3      LYS  35   5.393  12.347 -11.134
  270    HE3  LYS  35           HE2      LYS  35   3.749  11.762 -10.813
  271    HZ1  LYS  35           HZ1      LYS  35   4.955  14.274 -10.120
  272    HZ2  LYS  35           HZ2      LYS  35   4.337  13.500  -8.776
  273    HZ3  LYS  35           HZ3      LYS  35   3.313  13.863 -10.072
  274    H    SER  36           H        SER  36   8.662   7.836  -7.431
  275    HA   SER  36           HA       SER  36   8.355   7.498  -4.720
  276    HB2  SER  36           HB3      SER  36   9.383   5.826  -6.101
  277    HB3  SER  36           HB2      SER  36  10.813   6.827  -6.386
  278    HG   SER  36           HG       SER  36  11.428   5.540  -4.792
  279    H    GLU  37           H        GLU  37  10.241   9.714  -6.252
  280    HA   GLU  37           HA       GLU  37  11.991  10.734  -4.167
  281    HB2  GLU  37           HB3      GLU  37  10.926  12.106  -6.635
  282    HB3  GLU  37           HB2      GLU  37  11.963  12.912  -5.486
  283    HG2  GLU  37           HG3      GLU  37  12.723  10.359  -6.857
  284    HG3  GLU  37           HG2      GLU  37  13.105  11.954  -7.531
  285    H    GLU  38           H        GLU  38   8.958  11.675  -5.255
  286    HA   GLU  38           HA       GLU  38   8.545  13.666  -3.163
  287    HB2  GLU  38           HB3      GLU  38   6.415  14.355  -4.035
  288    HB3  GLU  38           HB2      GLU  38   7.636  14.289  -5.298
  289    HG2  GLU  38           HG3      GLU  38   6.616  12.069  -5.961
  290    HG3  GLU  38           HG2      GLU  38   5.337  12.426  -4.817
  291    H    ILE  39           H        ILE  39   7.705  10.522  -3.367
  292    HA   ILE  39           HA       ILE  39   5.487  10.473  -1.571
  293    HB   ILE  39           HB       ILE  39   7.271   8.187  -2.412
  294   HG12  ILE  39          HG13      ILE  39   4.615   9.071  -3.488
  295   HG13  ILE  39          HG12      ILE  39   6.164   9.364  -4.291
  296   HG21  ILE  39          HG21      ILE  39   6.010   6.903  -1.107
  297   HG22  ILE  39          HG22      ILE  39   4.565   7.534  -1.911
  298   HG23  ILE  39          HG23      ILE  39   5.202   8.356  -0.489
  299   HD11  ILE  39          HD11      ILE  39   4.796   7.455  -5.083
  300   HD12  ILE  39          HD12      ILE  39   5.216   6.628  -3.560
  301   HD13  ILE  39          HD13      ILE  39   6.497   7.146  -4.681
  302    H    THR  40           H        THR  40   6.763  11.814   0.002
  303    HA   THR  40           HA       THR  40   8.553  10.370   1.765
  304    HB   THR  40           HB       THR  40   9.142  12.587   1.144
  305    HG1  THR  40           HG1      THR  40   8.471  12.231   3.848
  306   HG21  THR  40          HG21      THR  40   7.594  14.514   1.999
  307   HG22  THR  40          HG22      THR  40   6.386  13.205   2.007
  308   HG23  THR  40          HG23      THR  40   7.224  13.578   0.514
  309    H    THR  41           H        THR  41   5.615   9.730   1.714
  310    HA   THR  41           HA       THR  41   5.457   9.076   4.356
  311    HB   THR  41           HB       THR  41   4.707  11.176   4.882
  312    HG1  THR  41           HG1      THR  41   2.939  10.682   6.017
  313   HG21  THR  41          HG21      THR  41   3.434  12.564   3.654
  314   HG22  THR  41          HG22      THR  41   2.123  11.393   3.626
  315   HG23  THR  41          HG23      THR  41   3.425  11.302   2.427
  316    H    GLY  42           H        GLY  42   3.652   7.739   4.952
  317    HA2  GLY  42           HA3      GLY  42   3.387   5.746   2.923
  318    HA3  GLY  42           HA2      GLY  42   2.488   5.712   4.436
  319    H    SER  43           H        SER  43   0.765   7.986   4.376
  320    HA   SER  43           HA       SER  43  -1.156   7.425   2.748
  321    HB2  SER  43           HB3      SER  43  -0.233  10.073   3.872
  322    HB3  SER  43           HB2      SER  43  -1.880   9.659   3.413
  323    HG   SER  43           HG       SER  43  -1.271   9.431   5.719
  324    H    ALA  44           H        ALA  44   1.521   9.517   2.280
  325    HA   ALA  44           HA       ALA  44   0.807  10.928  -0.078
  326    HB1  ALA  44           HB1      ALA  44   3.418  10.375   1.117
  327    HB2  ALA  44           HB2      ALA  44   2.819  11.848   0.342
  328    HB3  ALA  44           HB3      ALA  44   3.479  10.534  -0.639
  329    H    TRP  45           H        TRP  45   2.517   7.849   0.117
  330    HA   TRP  45           HA       TRP  45   2.530   7.337  -2.652
  331    HB2  TRP  45           HB3      TRP  45   3.904   6.121  -0.907
  332    HB3  TRP  45           HB2      TRP  45   2.415   5.352  -0.399
  333    HD1  TRP  45           HD1      TRP  45   3.664   5.793  -4.093
  334    HE1  TRP  45           HE1      TRP  45   3.718   3.427  -5.077
  335    HE3  TRP  45           HE3      TRP  45   2.406   3.069   0.062
  336    HZ2  TRP  45           HZ2      TRP  45   3.313   0.844  -4.266
  337    HZ3  TRP  45           HZ3      TRP  45   2.285   0.633  -0.165
  338    HH2  TRP  45           HH2      TRP  45   2.752  -0.411  -2.345
  339    H    PHE  46           H        PHE  46   0.325   6.175  -0.193
  340    HA   PHE  46           HA       PHE  46  -1.335   4.902  -2.024
  341    HB2  PHE  46           HB3      PHE  46  -2.209   6.353   0.464
  342    HB3  PHE  46           HB2      PHE  46  -3.217   5.278  -0.488
  343    HD1  PHE  46           HD1      PHE  46  -2.002   3.008  -1.043
  344    HD2  PHE  46           HD2      PHE  46  -1.300   5.447   2.366
  345    HE1  PHE  46           HE1      PHE  46  -1.344   1.046   0.206
  346    HE2  PHE  46           HE2      PHE  46  -0.689   3.462   3.643
  347    HZ   PHE  46           HZ       PHE  46  -0.686   1.222   2.477
  348    H    SER  47           H        SER  47  -1.633   7.962  -0.842
  349    HA   SER  47           HA       SER  47  -3.718   8.954  -2.518
  350    HB2  SER  47           HB3      SER  47  -1.573  10.616  -1.239
  351    HB3  SER  47           HB2      SER  47  -3.061  11.275  -1.942
  352    HG   SER  47           HG       SER  47  -3.999   9.525  -0.432
  353    H    PHE  48           H        PHE  48  -0.350   8.774  -3.309
  354    HA   PHE  48           HA       PHE  48  -0.541  10.225  -5.792
  355    HB2  PHE  48           HB3      PHE  48   1.633   9.833  -4.806
  356    HB3  PHE  48           HB2      PHE  48   1.343   8.091  -4.787
  357    HD1  PHE  48           HD1      PHE  48   1.280  10.929  -7.241
  358    HD2  PHE  48           HD2      PHE  48   2.184   6.883  -6.386
  359    HE1  PHE  48           HE1      PHE  48   2.060  10.645  -9.511
  360    HE2  PHE  48           HE2      PHE  48   3.011   6.576  -8.679
  361    HZ   PHE  48           HZ       PHE  48   2.939   8.460 -10.259
  362    H    LEU  49           H        LEU  49  -0.355   6.751  -4.858
  363    HA   LEU  49           HA       LEU  49  -0.702   5.536  -7.218
  364    HB2  LEU  49           HB3      LEU  49  -0.083   4.942  -4.843
  365    HB3  LEU  49           HB2      LEU  49  -1.811   4.678  -4.601
  366    HG   LEU  49           HG       LEU  49  -1.621   2.565  -6.114
  367   HD11  LEU  49          HD11      LEU  49   1.226   2.861  -6.341
  368   HD12  LEU  49          HD12      LEU  49   0.339   4.058  -7.280
  369   HD13  LEU  49          HD13      LEU  49   0.027   2.327  -7.519
  370   HD21  LEU  49          HD21      LEU  49  -0.616   1.386  -4.473
  371   HD22  LEU  49          HD22      LEU  49  -0.620   2.923  -3.612
  372   HD23  LEU  49          HD23      LEU  49   0.805   2.414  -4.517
  373    H    GLU  50           H        GLU  50  -3.087   6.125  -4.799
  374    HA   GLU  50           HA       GLU  50  -5.606   5.619  -5.906
  375    HB2  GLU  50           HB3      GLU  50  -5.108   8.121  -4.261
  376    HB3  GLU  50           HB2      GLU  50  -6.692   7.455  -4.611
  377    HG2  GLU  50           HG3      GLU  50  -6.186   5.497  -3.270
  378    HG3  GLU  50           HG2      GLU  50  -4.548   6.103  -2.989
  379    H    SER  51           H        SER  51  -4.030   8.367  -6.056
  380    HA   SER  51           HA       SER  51  -5.615  10.032  -7.776
  381    HB2  SER  51           HB3      SER  51  -2.604  10.305  -7.647
  382    HB3  SER  51           HB2      SER  51  -3.660  11.462  -8.464
  383    HG   SER  51           HG       SER  51  -3.620  10.763  -5.718
  384    H    HIS  52           H        HIS  52  -3.286   7.610  -8.601
  385    HA   HIS  52           HA       HIS  52  -4.052   7.854 -11.445
  386    HB2  HIS  52           HB3      HIS  52  -1.609   6.583 -10.253
  387    HB3  HIS  52           HB2      HIS  52  -1.970   6.457 -12.002
  388    HD1  HIS  52           HD1      HIS  52   0.168   7.803 -12.733
  389    HD2  HIS  52           HD2      HIS  52  -1.993   9.484  -9.681
  390    HE1  HIS  52           HE1      HIS  52   1.333   9.976 -12.295
  391    H    ASN  53           H        ASN  53  -3.882   5.566 -12.541
  392    HA   ASN  53           HA       ASN  53  -6.015   4.236 -11.181
  393    HB2  ASN  53           HB3      ASN  53  -6.274   3.038 -13.325
  394    HB3  ASN  53           HB2      ASN  53  -6.232   4.782 -13.540
  395   HD21  ASN  53          HD22      ASN  53  -5.285   2.080 -14.909
  396   HD22  ASN  53          HD21      ASN  53  -3.842   2.612 -15.721
  397    H    LYS  54           H        LYS  54  -3.511   3.863  -9.816
  398    HA   LYS  54           HA       LYS  54  -3.240   1.154 -10.455
  399    HB2  LYS  54           HB3      LYS  54  -1.002   2.830  -9.228
  400    HB3  LYS  54           HB2      LYS  54  -0.905   1.074  -9.313
  401    HG2  LYS  54           HG3      LYS  54  -1.150   2.957 -11.678
  402    HG3  LYS  54           HG2      LYS  54   0.226   1.941 -11.145
  403    HD2  LYS  54           HD3      LYS  54  -0.706  -0.007 -11.805
  404    HD3  LYS  54           HD2      LYS  54  -2.327   0.597 -11.480
  405    HE2  LYS  54           HE3      LYS  54  -2.100   0.167 -13.716
  406    HE3  LYS  54           HE2      LYS  54  -2.335   1.859 -13.276
  407    HZ1  LYS  54           HZ1      LYS  54  -0.782   1.544 -15.141
  408    HZ2  LYS  54           HZ2      LYS  54   0.232   0.620 -14.205
  409    HZ3  LYS  54           HZ3      LYS  54   0.026   2.310 -13.908
  410    H    LEU  55           H        LEU  55  -4.958   2.732  -8.436
  411    HA   LEU  55           HA       LEU  55  -5.324   0.580  -6.687
  412    HB2  LEU  55           HB3      LEU  55  -3.271   1.400  -5.576
  413    HB3  LEU  55           HB2      LEU  55  -3.976   2.989  -5.447
  414    HG   LEU  55           HG       LEU  55  -5.132   0.624  -3.912
  415   HD11  LEU  55          HD11      LEU  55  -3.356   0.589  -2.601
  416   HD12  LEU  55          HD12      LEU  55  -3.663   2.264  -2.146
  417   HD13  LEU  55          HD13      LEU  55  -2.579   1.898  -3.494
  418   HD21  LEU  55          HD21      LEU  55  -5.513   3.537  -3.926
  419   HD22  LEU  55          HD22      LEU  55  -5.391   2.802  -2.329
  420   HD23  LEU  55          HD23      LEU  55  -6.629   2.247  -3.455
  421    H    ASP  56           H        ASP  56  -7.412   0.594  -7.102
  422    HA   ASP  56           HA       ASP  56  -8.794   3.039  -6.547
  423    HB2  ASP  56           HB3      ASP  56 -10.123   0.523  -7.624
  424    HB3  ASP  56           HB2      ASP  56 -11.080   1.799  -6.966
  425    H    LYS  57           H        LYS  57 -11.099   2.454  -5.396
  426    HA   LYS  57           HA       LYS  57 -10.428   2.531  -2.656
  427    HB2  LYS  57           HB3      LYS  57 -12.636   2.839  -2.202
  428    HB3  LYS  57           HB2      LYS  57 -12.475   3.586  -3.790
  429    HG2  LYS  57           HG3      LYS  57 -13.669   0.955  -3.050
  430    HG3  LYS  57           HG2      LYS  57 -14.554   2.341  -3.720
  431    HD2  LYS  57           HD3      LYS  57 -12.402   0.800  -4.967
  432    HD3  LYS  57           HD2      LYS  57 -14.097   0.358  -5.266
  433    HE2  LYS  57           HE3      LYS  57 -12.636   2.910  -6.095
  434    HE3  LYS  57           HE2      LYS  57 -13.016   1.586  -7.174
  435    HZ1  LYS  57           HZ1      LYS  57 -15.260   2.082  -7.112
  436    HZ2  LYS  57           HZ2      LYS  57 -14.490   3.530  -7.335
  437    HZ3  LYS  57           HZ3      LYS  57 -15.180   3.160  -5.824
  438    H    ASP  58           H        ASP  58 -10.890  -0.128  -4.801
  439    HA   ASP  58           HA       ASP  58 -11.468  -1.898  -2.604
  440    HB2  ASP  58           HB3      ASP  58 -12.347  -3.488  -4.292
  441    HB3  ASP  58           HB2      ASP  58 -13.241  -1.970  -4.224
  442    H    ASN  59           H        ASN  59  -9.597  -1.504  -5.403
  443    HA   ASN  59           HA       ASN  59  -8.262  -3.952  -4.899
  444    HB2  ASN  59           HB3      ASN  59  -7.032  -3.514  -7.006
  445    HB3  ASN  59           HB2      ASN  59  -8.800  -3.439  -7.171
  446   HD21  ASN  59          HD22      ASN  59  -9.651  -1.642  -7.727
  447   HD22  ASN  59          HD21      ASN  59  -8.754  -0.320  -8.387
  448    H    LEU  60           H        LEU  60  -6.684  -4.472  -4.219
  449    HA   LEU  60           HA       LEU  60  -4.731  -2.587  -3.134
  450    HB2  LEU  60           HB3      LEU  60  -4.598  -4.067  -1.144
  451    HB3  LEU  60           HB2      LEU  60  -6.119  -3.260  -1.361
  452    HG   LEU  60           HG       LEU  60  -7.076  -5.400  -2.229
  453   HD11  LEU  60          HD11      LEU  60  -5.666  -6.961  -2.892
  454   HD12  LEU  60          HD12      LEU  60  -5.437  -7.334  -1.172
  455   HD13  LEU  60          HD13      LEU  60  -4.341  -6.214  -2.009
  456   HD21  LEU  60          HD21      LEU  60  -7.809  -5.407  -0.152
  457   HD22  LEU  60          HD22      LEU  60  -6.287  -4.728   0.435
  458   HD23  LEU  60          HD23      LEU  60  -6.461  -6.479   0.253
  459    H    SER  61           H        SER  61  -5.195  -5.293  -4.887
  460    HA   SER  61           HA       SER  61  -3.103  -6.903  -4.530
  461    HB2  SER  61           HB3      SER  61  -3.284  -7.633  -6.932
  462    HB3  SER  61           HB2      SER  61  -4.813  -7.517  -6.077
  463    HG   SER  61           HG       SER  61  -5.179  -6.497  -7.945
  464    H    TYR  62           H        TYR  62  -2.921  -4.011  -6.236
  465    HA   TYR  62           HA       TYR  62  -0.270  -4.060  -7.289
  466    HB2  TYR  62           HB3      TYR  62  -1.821  -2.134  -7.743
  467    HB3  TYR  62           HB2      TYR  62  -1.667  -1.629  -6.064
  468    HD1  TYR  62           HD2      TYR  62   0.148  -1.925  -9.251
  469    HD2  TYR  62           HD1      TYR  62   0.237  -0.412  -5.273
  470    HE1  TYR  62           HE2      TYR  62   2.186  -0.647  -9.768
  471    HE2  TYR  62           HE1      TYR  62   2.344   0.694  -5.697
  472    HH   TYR  62           HH       TYR  62   4.031   0.324  -8.719
  473    H    ILE  63           H        ILE  63  -1.531  -2.960  -4.206
  474    HA   ILE  63           HA       ILE  63   1.039  -2.412  -3.088
  475    HB   ILE  63           HB       ILE  63  -0.010  -1.437  -1.256
  476   HG12  ILE  63          HG13      ILE  63  -2.672  -2.600  -2.103
  477   HG13  ILE  63          HG12      ILE  63  -1.701  -3.283  -0.801
  478   HG21  ILE  63          HG21      ILE  63  -1.478   0.099  -2.283
  479   HG22  ILE  63          HG22      ILE  63  -1.750  -1.063  -3.585
  480   HG23  ILE  63          HG23      ILE  63  -0.153  -0.331  -3.397
  481   HD11  ILE  63          HD11      ILE  63  -2.742  -1.901   0.545
  482   HD12  ILE  63          HD12      ILE  63  -3.393  -0.930  -0.815
  483   HD13  ILE  63          HD13      ILE  63  -1.722  -0.698  -0.235
  484    H    GLU  64           H        GLU  64  -1.041  -5.039  -3.163
  485    HA   GLU  64           HA       GLU  64  -0.413  -6.510  -0.736
  486    HB2  GLU  64           HB3      GLU  64  -2.320  -7.081  -2.195
  487    HB3  GLU  64           HB2      GLU  64  -1.207  -7.381  -3.516
  488    HG2  GLU  64           HG3      GLU  64  -0.306  -9.271  -2.234
  489    HG3  GLU  64           HG2      GLU  64  -1.534  -9.029  -1.007
  490    H    HIS  65           H        HIS  65   0.676  -6.857  -4.081
  491    HA   HIS  65           HA       HIS  65   2.936  -8.431  -3.643
  492    HB2  HIS  65           HB3      HIS  65   1.840  -7.675  -5.796
  493    HB3  HIS  65           HB2      HIS  65   2.437  -6.076  -5.429
  494    HD1  HIS  65           HD1      HIS  65   3.927  -9.543  -6.091
  495    HD2  HIS  65           HD2      HIS  65   4.638  -5.491  -6.609
  496    HE1  HIS  65           HE1      HIS  65   6.074  -9.465  -7.347
  497    H    ILE  66           H        ILE  66   2.936  -5.069  -3.855
  498    HA   ILE  66           HA       ILE  66   5.419  -4.547  -3.217
  499    HB   ILE  66           HB       ILE  66   3.188  -3.022  -1.964
  500   HG12  ILE  66          HG13      ILE  66   2.992  -3.400  -4.194
  501   HG13  ILE  66          HG12      ILE  66   3.219  -1.616  -4.064
  502   HG21  ILE  66          HG21      ILE  66   5.191  -1.098  -2.378
  503   HG22  ILE  66          HG22      ILE  66   6.105  -2.509  -1.879
  504   HG23  ILE  66          HG23      ILE  66   4.846  -1.905  -0.856
  505   HD11  ILE  66          HD11      ILE  66   4.376  -3.531  -5.705
  506   HD12  ILE  66          HD12      ILE  66   5.650  -3.094  -4.542
  507   HD13  ILE  66          HD13      ILE  66   4.831  -1.832  -5.539
  508    H    PHE  67           H        PHE  67   2.878  -5.038  -0.574
  509    HA   PHE  67           HA       PHE  67   4.790  -4.769   1.246
  510    HB2  PHE  67           HB3      PHE  67   2.083  -6.051   1.466
  511    HB3  PHE  67           HB2      PHE  67   3.128  -5.664   2.828
  512    HD1  PHE  67           HD2      PHE  67   3.946  -3.159   2.889
  513    HD2  PHE  67           HD1      PHE  67   0.550  -4.562   0.823
  514    HE1  PHE  67           HE2      PHE  67   3.067  -0.838   2.786
  515    HE2  PHE  67           HE1      PHE  67  -0.322  -2.272   0.700
  516    HZ   PHE  67           HZ       PHE  67   0.931  -0.422   1.699
  517    H    GLU  68           H        GLU  68   3.950  -7.666  -0.731
  518    HA   GLU  68           HA       GLU  68   5.089  -9.501   1.184
  519    HB2  GLU  68           HB3      GLU  68   3.342 -10.196  -0.443
  520    HB3  GLU  68           HB2      GLU  68   4.426  -9.731  -1.752
  521    HG2  GLU  68           HG3      GLU  68   4.472 -12.095  -1.447
  522    HG3  GLU  68           HG2      GLU  68   6.021 -11.317  -0.955
  523    H    ILE  69           H        ILE  69   6.094  -8.100  -1.908
  524    HA   ILE  69           HA       ILE  69   8.488  -9.284  -1.935
  525    HB   ILE  69           HB       ILE  69   9.218  -7.681  -3.591
  526   HG12  ILE  69          HG13      ILE  69   6.589  -6.337  -3.032
  527   HG13  ILE  69          HG12      ILE  69   8.179  -5.640  -2.711
  528   HG21  ILE  69          HG21      ILE  69   7.858  -9.619  -4.154
  529   HG22  ILE  69          HG22      ILE  69   7.422  -8.250  -5.173
  530   HG23  ILE  69          HG23      ILE  69   6.408  -8.684  -3.792
  531   HD11  ILE  69          HD11      ILE  69   8.150  -4.824  -4.735
  532   HD12  ILE  69          HD12      ILE  69   6.657  -5.729  -5.118
  533   HD13  ILE  69          HD13      ILE  69   8.235  -6.515  -5.282
  534    H    SER  70           H        SER  70   7.781  -6.303  -0.350
  535    HA   SER  70           HA       SER  70  10.559  -5.843   0.354
  536    HB2  SER  70           HB3      SER  70   9.577  -3.891   1.612
  537    HB3  SER  70           HB2      SER  70   9.158  -3.889  -0.098
  538    HG   SER  70           HG       SER  70   7.117  -4.417   0.381
  539    H    ARG  71           H        ARG  71  11.320  -6.114   2.543
  540    HA   ARG  71           HA       ARG  71  10.016  -8.280   3.791
  541    HB2  ARG  71           HB3      ARG  71  12.518  -6.890   4.746
  542    HB3  ARG  71           HB2      ARG  71  11.817  -8.332   5.476
  543    HG2  ARG  71           HG3      ARG  71  12.705  -8.128   2.657
  544    HG3  ARG  71           HG2      ARG  71  13.655  -8.887   3.967
  545    HD2  ARG  71           HD3      ARG  71  10.952  -9.678   2.892
  546    HD3  ARG  71           HD2      ARG  71  12.470 -10.522   2.547
  547    HE   ARG  71           HE       ARG  71  11.916 -10.477   5.346
  548   HH11  ARG  71          HH11      ARG  71  11.066 -12.201   2.337
  549   HH12  ARG  71          HH12      ARG  71  10.245 -13.464   3.107
  550   HH21  ARG  71          HH22      ARG  71  10.837 -12.353   6.443
  551   HH22  ARG  71          HH21      ARG  71  10.138 -13.563   5.497
  552    H    ARG  72           H        ARG  72   8.192  -6.934   3.988
  553    HA   ARG  72           HA       ARG  72   7.760  -6.143   6.714
  554    HB2  ARG  72           HB3      ARG  72   7.421  -4.335   4.367
  555    HB3  ARG  72           HB2      ARG  72   6.329  -4.164   5.718
  556    HG2  ARG  72           HG3      ARG  72   9.313  -4.089   5.956
  557    HG3  ARG  72           HG2      ARG  72   8.257  -2.651   5.848
  558    HD2  ARG  72           HD3      ARG  72   6.977  -3.477   7.775
  559    HD3  ARG  72           HD2      ARG  72   8.074  -4.849   7.893
  560    HE   ARG  72           HE       ARG  72   8.392  -2.185   8.784
  561   HH11  ARG  72          HH11      ARG  72  10.370  -5.049   7.916
  562   HH12  ARG  72          HH12      ARG  72  11.758  -4.425   8.700
  563   HH21  ARG  72          HH22      ARG  72  10.226  -1.373   9.634
  564   HH22  ARG  72          HH21      ARG  72  11.669  -2.253   9.824
  565    HA   PRO  73           HA       PRO  73   4.378  -8.677   4.706
  566    HB2  PRO  73           HB2      PRO  73   5.002 -10.668   6.771
  567    HB3  PRO  73           HB3      PRO  73   4.816 -10.888   5.030
  568    HG2  PRO  73           HG3      PRO  73   7.194 -11.039   6.258
  569    HG3  PRO  73           HG2      PRO  73   7.019 -10.393   4.616
  570    HD2  PRO  73           HD3      PRO  73   7.295  -8.927   7.202
  571    HD3  PRO  73           HD2      PRO  73   8.080  -8.606   5.635
  572    H    ASP  74           H        ASP  74   5.166  -7.235   7.676
  573    HA   ASP  74           HA       ASP  74   2.906  -8.137   9.233
  574    HB2  ASP  74           HB3      ASP  74   4.451  -5.536   9.552
  575    HB3  ASP  74           HB2      ASP  74   3.331  -6.198  10.715
  576    H    LEU  75           H        LEU  75   3.672  -5.478   7.422
  577    HA   LEU  75           HA       LEU  75   1.142  -4.132   7.426
  578    HB2  LEU  75           HB3      LEU  75   3.322  -3.927   5.348
  579    HB3  LEU  75           HB2      LEU  75   1.865  -2.962   5.299
  580    HG   LEU  75           HG       LEU  75   2.569  -1.714   7.334
  581   HD11  LEU  75          HD11      LEU  75   5.055  -2.205   8.002
  582   HD12  LEU  75          HD12      LEU  75   4.657  -3.841   7.452
  583   HD13  LEU  75          HD13      LEU  75   3.733  -3.102   8.750
  584   HD21  LEU  75          HD21      LEU  75   3.418  -1.245   4.993
  585   HD22  LEU  75          HD22      LEU  75   4.921  -1.987   5.533
  586   HD23  LEU  75          HD23      LEU  75   4.303  -0.539   6.351
  587    H    LEU  76           H        LEU  76   2.599  -6.178   5.189
  588    HA   LEU  76           HA       LEU  76   0.611  -6.696   3.196
  589    HB2  LEU  76           HB3      LEU  76   2.757  -8.072   3.163
  590    HB3  LEU  76           HB2      LEU  76   1.954  -9.072   4.403
  591    HG   LEU  76           HG       LEU  76   0.091  -9.309   2.807
  592   HD11  LEU  76          HD11      LEU  76   0.378  -7.678   1.350
  593   HD12  LEU  76          HD12      LEU  76   0.500  -9.224   0.501
  594   HD13  LEU  76          HD13      LEU  76   1.952  -8.293   0.846
  595   HD21  LEU  76          HD21      LEU  76   2.456 -10.790   3.094
  596   HD22  LEU  76          HD22      LEU  76   1.967 -10.899   1.391
  597   HD23  LEU  76          HD23      LEU  76   0.822 -11.320   2.693
  598    H    THR  77           H        THR  77   1.059  -8.439   6.030
  599    HA   THR  77           HA       THR  77  -1.092 -10.103   6.232
  600    HB   THR  77           HB       THR  77   0.170  -8.558   8.438
  601    HG1  THR  77           HG1      THR  77   1.724  -9.863   7.572
  602   HG21  THR  77          HG21      THR  77  -0.616 -10.374   9.904
  603   HG22  THR  77          HG22      THR  77  -1.529 -10.975   8.489
  604   HG23  THR  77          HG23      THR  77  -1.872  -9.351   9.140
  605    H    MET  78           H        MET  78  -0.928  -6.825   7.266
  606    HA   MET  78           HA       MET  78  -3.580  -6.628   8.242
  607    HB2  MET  78           HB3      MET  78  -1.846  -4.348   7.236
  608    HB3  MET  78           HB2      MET  78  -3.258  -4.202   8.249
  609    HG2  MET  78           HG3      MET  78  -2.226  -5.575   9.987
  610    HG3  MET  78           HG2      MET  78  -0.763  -5.685   9.017
  611    HE1  MET  78           HE1      MET  78  -3.010  -2.315   9.593
  612    HE2  MET  78           HE2      MET  78  -2.374  -2.004  11.214
  613    HE3  MET  78           HE3      MET  78  -3.209  -3.512  10.891
  614    H    VAL  79           H        VAL  79  -2.237  -6.200   5.028
  615    HA   VAL  79           HA       VAL  79  -4.599  -5.204   3.773
  616    HB   VAL  79           HB       VAL  79  -2.217  -6.705   2.637
  617   HG11  VAL  79          HG11      VAL  79  -2.938  -6.345   0.593
  618   HG12  VAL  79          HG12      VAL  79  -3.402  -4.676   0.929
  619   HG13  VAL  79          HG13      VAL  79  -4.503  -6.017   1.327
  620   HG21  VAL  79          HG21      VAL  79  -2.238  -4.233   3.918
  621   HG22  VAL  79          HG22      VAL  79  -2.066  -3.872   2.190
  622   HG23  VAL  79          HG23      VAL  79  -0.936  -4.972   3.016
  623    H    VAL  80           H        VAL  80  -2.987  -8.332   3.929
  624    HA   VAL  80           HA       VAL  80  -4.879 -10.008   2.666
  625    HB   VAL  80           HB       VAL  80  -2.969 -10.650   4.983
  626   HG11  VAL  80          HG11      VAL  80  -4.220 -12.602   3.053
  627   HG12  VAL  80          HG12      VAL  80  -4.829 -12.261   4.680
  628   HG13  VAL  80          HG13      VAL  80  -3.214 -12.958   4.467
  629   HG21  VAL  80          HG21      VAL  80  -2.517 -10.194   2.152
  630   HG22  VAL  80          HG22      VAL  80  -1.953 -11.790   2.657
  631   HG23  VAL  80          HG23      VAL  80  -1.379 -10.320   3.468
  632    H    ASP  81           H        ASP  81  -4.522  -9.362   5.837
  633    HA   ASP  81           HA       ASP  81  -6.828 -10.537   6.836
  634    HB2  ASP  81           HB3      ASP  81  -5.198  -8.459   8.247
  635    HB3  ASP  81           HB2      ASP  81  -6.747  -8.924   8.953
  636    H    TYR  82           H        TYR  82  -6.475  -7.356   5.774
  637    HA   TYR  82           HA       TYR  82  -9.035  -6.203   6.210
  638    HB2  TYR  82           HB3      TYR  82  -7.320  -4.874   5.344
  639    HB3  TYR  82           HB2      TYR  82  -7.145  -5.915   3.908
  640    HD1  TYR  82           HD2      TYR  82  -9.625  -3.792   5.662
  641    HD2  TYR  82           HD1      TYR  82  -8.152  -5.353   2.047
  642    HE1  TYR  82           HE2      TYR  82 -11.208  -2.372   4.413
  643    HE2  TYR  82           HE1      TYR  82  -9.686  -3.992   0.757
  644    HH   TYR  82           HH       TYR  82 -11.216  -2.321   0.856
  645    H    ARG  83           H        ARG  83  -7.789  -7.996   3.403
  646    HA   ARG  83           HA       ARG  83 -10.038  -8.011   1.834
  647    HB2  ARG  83           HB3      ARG  83  -7.973  -8.437   0.874
  648    HB3  ARG  83           HB2      ARG  83  -7.522  -9.589   2.099
  649    HG2  ARG  83           HG3      ARG  83  -9.650 -10.223   0.156
  650    HG3  ARG  83           HG2      ARG  83  -7.934 -10.389  -0.325
  651    HD2  ARG  83           HD3      ARG  83  -7.644 -11.830   1.664
  652    HD3  ARG  83           HD2      ARG  83  -9.374 -11.788   1.959
  653    HE   ARG  83           HE       ARG  83  -8.887 -12.606  -0.698
  654   HH11  ARG  83          HH11      ARG  83  -8.639 -13.919   2.618
  655   HH12  ARG  83          HH12      ARG  83  -8.678 -15.538   2.076
  656   HH21  ARG  83          HH22      ARG  83  -8.998 -14.830  -1.377
  657   HH22  ARG  83          HH21      ARG  83  -8.909 -16.056  -0.200
  658    H    THR  84           H        THR  84  -8.987 -10.256   3.947
  659    HA   THR  84           HA       THR  84 -11.187 -12.090   3.844
  660    HB   THR  84           HB       THR  84  -9.278 -11.594   6.020
  661    HG1  THR  84           HG1      THR  84  -7.875 -12.443   4.651
  662   HG21  THR  84          HG21      THR  84 -11.117 -12.825   6.672
  663   HG22  THR  84          HG22      THR  84  -9.663 -13.843   6.705
  664   HG23  THR  84          HG23      THR  84 -10.862 -14.026   5.362
  665    H    ARG  85           H        ARG  85 -10.379 -10.142   6.336
  666    HA   ARG  85           HA       ARG  85 -12.523 -10.219   8.005
  667    HB2  ARG  85           HB3      ARG  85 -12.028  -8.163   9.259
  668    HB3  ARG  85           HB2      ARG  85 -10.517  -8.916   8.788
  669    HG2  ARG  85           HG3      ARG  85 -10.363  -7.283   6.905
  670    HG3  ARG  85           HG2      ARG  85 -11.808  -6.497   7.521
  671    HD2  ARG  85           HD3      ARG  85  -9.229  -6.904   8.901
  672    HD3  ARG  85           HD2      ARG  85  -9.846  -5.396   8.160
  673    HE   ARG  85           HE       ARG  85 -11.623  -6.368  10.142
  674   HH11  ARG  85          HH11      ARG  85  -8.555  -4.557   9.869
  675   HH12  ARG  85          HH12      ARG  85  -8.664  -3.905  11.450
  676   HH21  ARG  85          HH22      ARG  85 -11.682  -5.417  12.381
  677   HH22  ARG  85          HH21      ARG  85 -10.398  -4.399  12.832
  678    H    VAL  86           H        VAL  86 -12.145  -7.866   5.774
  679    HA   VAL  86           HA       VAL  86 -14.671  -6.696   5.963
  680    HB   VAL  86           HB       VAL  86 -12.805  -6.562   3.603
  681   HG11  VAL  86          HG11      VAL  86 -15.183  -4.730   4.135
  682   HG12  VAL  86          HG12      VAL  86 -15.243  -6.046   2.940
  683   HG13  VAL  86          HG13      VAL  86 -14.133  -4.696   2.716
  684   HG21  VAL  86          HG21      VAL  86 -12.775  -4.131   4.628
  685   HG22  VAL  86          HG22      VAL  86 -11.794  -5.434   5.285
  686   HG23  VAL  86          HG23      VAL  86 -13.321  -4.973   6.060
  687    H    LEU  87           H        LEU  87 -13.507  -9.326   4.077
  688    HA   LEU  87           HA       LEU  87 -15.800 -10.012   2.550
  689    HB2  LEU  87           HB3      LEU  87 -13.673 -10.896   1.955
  690    HB3  LEU  87           HB2      LEU  87 -13.325 -11.392   3.589
  691    HG   LEU  87           HG       LEU  87 -14.662 -13.237   3.404
  692   HD11  LEU  87          HD11      LEU  87 -15.880 -11.819   1.165
  693   HD12  LEU  87          HD12      LEU  87 -16.421 -13.346   1.859
  694   HD13  LEU  87          HD13      LEU  87 -15.234 -13.341   0.547
  695   HD21  LEU  87          HD21      LEU  87 -12.681 -13.947   2.687
  696   HD22  LEU  87          HD22      LEU  87 -12.581 -12.746   1.400
  697   HD23  LEU  87          HD23      LEU  87 -13.524 -14.219   1.169
  698    H    LYS  88           H        LYS  88 -14.583 -11.021   5.693
  699    HA   LYS  88           HA       LYS  88 -16.625 -12.680   6.477
  700    HB2  LYS  88           HB3      LYS  88 -14.432 -12.601   7.451
  701    HB3  LYS  88           HB2      LYS  88 -14.824 -11.042   8.169
  702    HG2  LYS  88           HG3      LYS  88 -16.391 -12.006   9.629
  703    HG3  LYS  88           HG2      LYS  88 -16.348 -13.555   8.761
  704    HD2  LYS  88           HD3      LYS  88 -14.169 -13.791   9.160
  705    HD3  LYS  88           HD2      LYS  88 -14.004 -12.275  10.057
  706    HE2  LYS  88           HE3      LYS  88 -15.654 -14.692  10.874
  707    HE3  LYS  88           HE2      LYS  88 -14.133 -14.242  11.635
  708    HZ1  LYS  88           HZ1      LYS  88 -15.885 -12.027  11.778
  709    HZ2  LYS  88           HZ2      LYS  88 -15.238 -12.991  13.006
  710    HZ3  LYS  88           HZ3      LYS  88 -16.705 -13.437  12.296
  711    H    ILE  89           H        ILE  89 -16.398  -9.160   6.747
  712    HA   ILE  89           HA       ILE  89 -18.536  -8.776   8.530
  713    HB   ILE  89           HB       ILE  89 -16.987  -7.106   6.585
  714   HG12  ILE  89          HG13      ILE  89 -17.002  -7.114   9.610
  715   HG13  ILE  89          HG12      ILE  89 -15.752  -7.776   8.563
  716   HG21  ILE  89          HG21      ILE  89 -18.927  -6.134   6.436
  717   HG22  ILE  89          HG22      ILE  89 -18.010  -5.096   7.560
  718   HG23  ILE  89          HG23      ILE  89 -19.300  -6.180   8.168
  719   HD11  ILE  89          HD11      ILE  89 -15.350  -5.492   9.646
  720   HD12  ILE  89          HD12      ILE  89 -16.491  -4.875   8.452
  721   HD13  ILE  89          HD13      ILE  89 -15.012  -5.642   7.911
  722    H    SER  90           H        SER  90 -18.039  -8.567   5.037
  723    HA   SER  90           HA       SER  90 -20.817  -8.005   4.521
  724    HB2  SER  90           HB3      SER  90 -18.492  -8.591   2.690
  725    HB3  SER  90           HB2      SER  90 -20.091  -8.001   2.193
  726    HG   SER  90           HG       SER  90 -18.011  -6.602   2.916
  Start of MODEL   20
    1    H1   MET   1           H        MET   1 -14.348   0.124   1.761
    2    H2   MET   1           H2       MET   1 -15.660   0.752   0.980
    3    H3   MET   1           H3       MET   1 -14.544  -0.224   0.108
    4    HA   MET   1           HA       MET   1 -13.073   1.418  -0.207
    5    HB2  MET   1           HB3      MET   1 -15.585   2.975   0.453
    6    HB3  MET   1           HB2      MET   1 -14.228   3.598  -0.477
    7    HG2  MET   1           HG3      MET   1 -14.656   1.958  -2.197
    8    HG3  MET   1           HG2      MET   1 -16.005   1.295  -1.264
    9    HE1  MET   1           HE1      MET   1 -16.368   1.956  -4.109
   10    HE2  MET   1           HE2      MET   1 -17.557   3.220  -4.377
   11    HE3  MET   1           HE3      MET   1 -17.959   1.844  -3.347
   12    H    ALA   2           H        ALA   2 -15.007   2.697   2.404
   13    HA   ALA   2           HA       ALA   2 -12.953   4.258   3.509
   14    HB1  ALA   2           HB1      ALA   2 -14.255   4.556   5.554
   15    HB2  ALA   2           HB2      ALA   2 -15.230   3.140   5.201
   16    HB3  ALA   2           HB3      ALA   2 -15.356   4.578   4.179
   17    H    GLU   3           H        GLU   3 -13.978   1.240   4.799
   18    HA   GLU   3           HA       GLU   3 -12.274   0.630   6.643
   19    HB2  GLU   3           HB3      GLU   3 -12.687  -1.442   4.460
   20    HB3  GLU   3           HB2      GLU   3 -12.487  -1.738   6.173
   21    HG2  GLU   3           HG3      GLU   3 -14.754  -2.179   5.699
   22    HG3  GLU   3           HG2      GLU   3 -14.747  -0.602   6.478
   23    H    TYR   4           H        TYR   4 -11.847   0.347   3.572
   24    HA   TYR   4           HA       TYR   4  -9.152  -0.592   3.163
   25    HB2  TYR   4           HB3      TYR   4 -10.650  -0.454   1.199
   26    HB3  TYR   4           HB2      TYR   4 -10.392   1.296   1.113
   27    HD1  TYR   4           HD1      TYR   4  -8.214  -1.687   1.543
   28    HD2  TYR   4           HD2      TYR   4  -9.032   1.787  -0.771
   29    HE1  TYR   4           HE1      TYR   4  -6.320  -2.202   0.115
   30    HE2  TYR   4           HE2      TYR   4  -7.117   1.258  -2.205
   31    HH   TYR   4           HH       TYR   4  -5.804  -0.638  -2.833
   32    H    GLY   5           H        GLY   5 -10.507   2.495   3.200
   33    HA2  GLY   5           HA3      GLY   5  -8.291   4.276   3.101
   34    HA3  GLY   5           HA2      GLY   5  -9.750   4.685   3.997
   35    H    THR   6           H        THR   6  -9.721   2.773   6.127
   36    HA   THR   6           HA       THR   6  -7.681   3.713   7.853
   37    HB   THR   6           HB       THR   6  -9.421   1.265   8.054
   38    HG1  THR   6           HG1      THR   6 -10.346   3.323   9.477
   39   HG21  THR   6          HG21      THR   6  -8.616   3.036  10.269
   40   HG22  THR   6          HG22      THR   6  -7.422   1.962   9.518
   41   HG23  THR   6          HG23      THR   6  -8.892   1.263  10.240
   42    H    LEU   7           H        LEU   7  -8.252   0.798   6.241
   43    HA   LEU   7           HA       LEU   7  -6.077  -0.813   6.906
   44    HB2  LEU   7           HB3      LEU   7  -7.506  -1.680   5.210
   45    HB3  LEU   7           HB2      LEU   7  -7.017  -0.419   4.085
   46    HG   LEU   7           HG       LEU   7  -4.745  -1.297   4.139
   47   HD11  LEU   7          HD11      LEU   7  -5.963  -3.425   5.807
   48   HD12  LEU   7          HD12      LEU   7  -4.602  -2.380   6.140
   49   HD13  LEU   7          HD13      LEU   7  -4.440  -3.643   4.929
   50   HD21  LEU   7          HD21      LEU   7  -5.565  -3.578   2.939
   51   HD22  LEU   7          HD22      LEU   7  -5.650  -1.962   2.227
   52   HD23  LEU   7          HD23      LEU   7  -7.071  -2.646   2.985
   53    H    LEU   8           H        LEU   8  -6.017   1.366   4.445
   54    HA   LEU   8           HA       LEU   8  -3.267   1.480   3.733
   55    HB2  LEU   8           HB3      LEU   8  -5.279   3.713   3.537
   56    HB3  LEU   8           HB2      LEU   8  -3.568   3.887   3.142
   57    HG   LEU   8           HG       LEU   8  -3.706   2.534   1.236
   58   HD11  LEU   8          HD11      LEU   8  -4.803   0.635   1.297
   59   HD12  LEU   8          HD12      LEU   8  -6.270   1.551   0.948
   60   HD13  LEU   8          HD13      LEU   8  -5.834   1.177   2.621
   61   HD21  LEU   8          HD21      LEU   8  -4.792   4.016   0.045
   62   HD22  LEU   8          HD22      LEU   8  -5.530   4.647   1.517
   63   HD23  LEU   8          HD23      LEU   8  -6.344   3.388   0.596
   64    H    GLN   9           H        GLN   9  -4.951   3.147   6.127
   65    HA   GLN   9           HA       GLN   9  -2.780   4.562   7.329
   66    HB2  GLN   9           HB3      GLN   9  -4.627   5.715   7.318
   67    HB3  GLN   9           HB2      GLN   9  -5.622   4.280   7.587
   68    HG2  GLN   9           HG3      GLN   9  -5.482   4.246   9.670
   69    HG3  GLN   9           HG2      GLN   9  -3.903   5.136   9.845
   70   HE21  GLN   9          HE22      GLN   9  -5.368   7.072   7.944
   71   HE22  GLN   9          HE21      GLN   9  -6.449   7.971   8.925
   72    H    ASP  10           H        ASP  10  -4.073   1.632   7.697
   73    HA   ASP  10           HA       ASP  10  -3.388   0.986  10.475
   74    HB2  ASP  10           HB3      ASP  10  -4.211  -0.802   8.184
   75    HB3  ASP  10           HB2      ASP  10  -3.682  -1.459   9.734
   76    H    LEU  11           H        LEU  11  -2.044   0.438   7.253
   77    HA   LEU  11           HA       LEU  11   0.339  -0.649   8.327
   78    HB2  LEU  11           HB3      LEU  11   1.035  -0.883   6.067
   79    HB3  LEU  11           HB2      LEU  11  -0.499  -1.703   6.312
   80    HG   LEU  11           HG       LEU  11  -1.361   0.584   5.339
   81   HD11  LEU  11          HD11      LEU  11   0.105   1.852   4.270
   82   HD12  LEU  11          HD12      LEU  11   1.010   0.453   3.643
   83   HD13  LEU  11          HD13      LEU  11   1.275   1.014   5.288
   84   HD21  LEU  11          HD21      LEU  11  -0.223  -1.298   3.333
   85   HD22  LEU  11          HD22      LEU  11  -1.818  -0.569   3.395
   86   HD23  LEU  11          HD23      LEU  11  -1.430  -1.913   4.466
   87    H    THR  12           H        THR  12  -0.905   2.274   7.206
   88    HA   THR  12           HA       THR  12   1.465   3.805   6.794
   89    HB   THR  12           HB       THR  12  -1.410   4.491   7.144
   90    HG1  THR  12           HG1      THR  12  -0.934   3.749   5.217
   91   HG21  THR  12          HG21      THR  12  -0.099   6.635   6.051
   92   HG22  THR  12          HG22      THR  12   0.674   6.309   7.637
   93   HG23  THR  12          HG23      THR  12  -1.121   6.546   7.525
   94    H    ASN  13           H        ASN  13  -0.546   3.354   9.644
   95    HA   ASN  13           HA       ASN  13   0.968   5.097  11.313
   96    HB2  ASN  13           HB3      ASN  13  -0.701   2.687  12.116
   97    HB3  ASN  13           HB2      ASN  13   0.087   3.728  13.285
   98   HD21  ASN  13          HD22      ASN  13  -2.820   3.054  12.124
   99   HD22  ASN  13          HD21      ASN  13  -3.551   4.608  12.207
  100    H    ASN  14           H        ASN  14   1.425   1.837  10.291
  101    HA   ASN  14           HA       ASN  14   3.712   1.514  12.066
  102    HB2  ASN  14           HB3      ASN  14   2.371  -0.507  10.214
  103    HB3  ASN  14           HB2      ASN  14   3.783  -0.822  11.212
  104   HD21  ASN  14          HD22      ASN  14   0.414  -0.875  11.148
  105   HD22  ASN  14          HD21      ASN  14   0.158  -1.080  12.843
  106    H    ILE  15           H        ILE  15   3.250   2.918   9.205
  107    HA   ILE  15           HA       ILE  15   5.556   1.997   7.754
  108    HB   ILE  15           HB       ILE  15   3.357   3.934   7.290
  109   HG12  ILE  15          HG13      ILE  15   3.243   1.674   6.375
  110   HG13  ILE  15          HG12      ILE  15   3.157   2.915   5.127
  111   HG21  ILE  15          HG21      ILE  15   6.016   4.425   6.114
  112   HG22  ILE  15          HG22      ILE  15   4.765   5.537   6.687
  113   HG23  ILE  15          HG23      ILE  15   4.557   4.662   5.143
  114   HD11  ILE  15          HD11      ILE  15   4.857   1.971   4.055
  115   HD12  ILE  15          HD12      ILE  15   4.984   0.744   5.310
  116   HD13  ILE  15          HD13      ILE  15   5.898   2.233   5.441
  117    H    THR  16           H        THR  16   7.557   2.624   8.160
  118    HA   THR  16           HA       THR  16   8.039   5.178   9.354
  119    HB   THR  16           HB       THR  16  10.324   4.519   9.565
  120    HG1  THR  16           HG1      THR  16  10.135   1.907   8.601
  121   HG21  THR  16          HG21      THR  16   8.732   3.691  11.096
  122   HG22  THR  16          HG22      THR  16  10.207   2.685  10.963
  123   HG23  THR  16          HG23      THR  16   8.690   2.175  10.116
  124    H    LEU  17           H        LEU  17   9.299   6.411   8.285
  125    HA   LEU  17           HA       LEU  17   8.993   6.791   5.461
  126    HB2  LEU  17           HB3      LEU  17  11.452   7.751   6.960
  127    HB3  LEU  17           HB2      LEU  17  11.129   8.127   5.280
  128    HG   LEU  17           HG       LEU  17   9.446   9.003   7.623
  129   HD11  LEU  17          HD11      LEU  17  11.605  10.150   7.421
  130   HD12  LEU  17          HD12      LEU  17  10.236  11.211   7.069
  131   HD13  LEU  17          HD13      LEU  17  11.210  10.559   5.750
  132   HD21  LEU  17          HD21      LEU  17   8.043   8.585   5.759
  133   HD22  LEU  17          HD22      LEU  17   9.216   9.301   4.661
  134   HD23  LEU  17          HD23      LEU  17   8.331  10.333   5.781
  135    H    GLU  18           H        GLU  18  11.560   5.188   7.127
  136    HA   GLU  18           HA       GLU  18  12.999   4.295   4.887
  137    HB2  GLU  18           HB3      GLU  18  12.800   2.983   7.613
  138    HB3  GLU  18           HB2      GLU  18  14.070   2.676   6.430
  139    HG2  GLU  18           HG3      GLU  18  14.789   5.001   6.544
  140    HG3  GLU  18           HG2      GLU  18  13.495   5.350   7.680
  141    H    ASP  19           H        ASP  19  10.566   2.671   6.687
  142    HA   ASP  19           HA       ASP  19  10.332   0.268   5.220
  143    HB2  ASP  19           HB3      ASP  19   8.056   1.734   6.609
  144    HB3  ASP  19           HB2      ASP  19   7.850   0.121   5.875
  145    H    LEU  20           H        LEU  20   8.324   3.127   4.725
  146    HA   LEU  20           HA       LEU  20   7.343   2.483   2.305
  147    HB2  LEU  20           HB3      LEU  20   8.047   5.120   3.350
  148    HB3  LEU  20           HB2      LEU  20   7.637   4.996   1.654
  149    HG   LEU  20           HG       LEU  20   5.900   4.166   3.949
  150   HD11  LEU  20          HD11      LEU  20   4.851   6.161   3.676
  151   HD12  LEU  20          HD12      LEU  20   5.384   6.323   1.998
  152   HD13  LEU  20          HD13      LEU  20   6.522   6.636   3.314
  153   HD21  LEU  20          HD21      LEU  20   4.680   3.060   2.420
  154   HD22  LEU  20          HD22      LEU  20   5.959   3.391   1.246
  155   HD23  LEU  20          HD23      LEU  20   4.613   4.525   1.399
  156    H    GLU  21           H        GLU  21  10.430   3.902   2.836
  157    HA   GLU  21           HA       GLU  21  10.917   4.149   0.119
  158    HB2  GLU  21           HB3      GLU  21  13.015   4.062   2.287
  159    HB3  GLU  21           HB2      GLU  21  13.326   4.437   0.586
  160    HG2  GLU  21           HG3      GLU  21  11.608   6.272   0.802
  161    HG3  GLU  21           HG2      GLU  21  11.581   5.966   2.515
  162    H    GLN  22           H        GLN  22  11.321   1.675   2.135
  163    HA   GLN  22           HA       GLN  22  12.644   0.039   0.169
  164    HB2  GLN  22           HB3      GLN  22  12.762  -0.636   2.643
  165    HB3  GLN  22           HB2      GLN  22  11.145  -1.294   2.407
  166    HG2  GLN  22           HG3      GLN  22  11.949  -2.746   0.653
  167    HG3  GLN  22           HG2      GLN  22  13.560  -2.085   0.799
  168   HE21  GLN  22          HE22      GLN  22  12.249  -4.732   1.222
  169   HE22  GLN  22          HE21      GLN  22  12.891  -5.274   2.759
  170    H    LEU  23           H        LEU  23   9.144   0.394   1.004
  171    HA   LEU  23           HA       LEU  23   8.193  -1.408  -0.792
  172    HB2  LEU  23           HB3      LEU  23   7.137   1.261   0.225
  173    HB3  LEU  23           HB2      LEU  23   6.161   0.042  -0.587
  174    HG   LEU  23           HG       LEU  23   7.492  -0.215   2.090
  175   HD11  LEU  23          HD11      LEU  23   4.706   0.388   1.223
  176   HD12  LEU  23          HD12      LEU  23   5.735   1.246   2.370
  177   HD13  LEU  23          HD13      LEU  23   5.067  -0.336   2.794
  178   HD21  LEU  23          HD21      LEU  23   7.138  -2.383   2.006
  179   HD22  LEU  23          HD22      LEU  23   6.634  -2.217   0.327
  180   HD23  LEU  23          HD23      LEU  23   5.426  -2.123   1.601
  181    H    LYS  24           H        LYS  24   9.053   1.793  -0.991
  182    HA   LYS  24           HA       LYS  24   8.491   2.623  -3.724
  183    HB2  LYS  24           HB3      LYS  24  10.877   3.457  -2.018
  184    HB3  LYS  24           HB2      LYS  24  10.385   4.181  -3.540
  185    HG2  LYS  24           HG3      LYS  24   8.429   5.138  -2.590
  186    HG3  LYS  24           HG2      LYS  24   8.556   4.106  -1.165
  187    HD2  LYS  24           HD3      LYS  24   9.223   6.515  -0.782
  188    HD3  LYS  24           HD2      LYS  24  10.417   5.301  -0.324
  189    HE2  LYS  24           HE3      LYS  24  11.666   5.765  -2.359
  190    HE3  LYS  24           HE2      LYS  24  10.434   6.911  -2.872
  191    HZ1  LYS  24           HZ1      LYS  24  12.680   7.367  -1.194
  192    HZ2  LYS  24           HZ2      LYS  24  11.285   7.653  -0.291
  193    HZ3  LYS  24           HZ3      LYS  24  11.539   8.483  -1.745
  194    H    SER  25           H        SER  25  11.048   1.475  -2.423
  195    HA   SER  25           HA       SER  25  12.918   0.948  -4.544
  196    HB2  SER  25           HB3      SER  25  13.049  -0.667  -1.952
  197    HB3  SER  25           HB2      SER  25  14.334  -0.627  -3.166
  198    HG   SER  25           HG       SER  25  13.360   1.517  -1.585
  199    H    ALA  26           H        ALA  26  10.867  -1.148  -3.067
  200    HA   ALA  26           HA       ALA  26  11.009  -3.318  -4.955
  201    HB1  ALA  26           HB1      ALA  26   9.904  -4.029  -3.018
  202    HB2  ALA  26           HB2      ALA  26   8.511  -3.743  -4.073
  203    HB3  ALA  26           HB3      ALA  26   8.986  -2.542  -2.902
  204    H    CYS  27           H        CYS  27   8.693  -0.620  -4.656
  205    HA   CYS  27           HA       CYS  27   7.338  -1.267  -7.076
  206    HB2  CYS  27           HB3      CYS  27   7.342   1.350  -5.652
  207    HB3  CYS  27           HB2      CYS  27   6.214   0.659  -6.836
  208    HG   CYS  27           HG       CYS  27   6.727  -0.373  -3.638
  209    H    LYS  28           H        LYS  28  10.322   0.125  -6.829
  210    HA   LYS  28           HA       LYS  28  10.279   2.492  -8.159
  211    HB2  LYS  28           HB3      LYS  28  12.668   2.106  -8.624
  212    HB3  LYS  28           HB2      LYS  28  12.180   1.385  -7.082
  213    HG2  LYS  28           HG3      LYS  28  12.025  -0.793  -8.071
  214    HG3  LYS  28           HG2      LYS  28  12.501  -0.120  -9.632
  215    HD2  LYS  28           HD3      LYS  28  14.658   0.518  -8.686
  216    HD3  LYS  28           HD2      LYS  28  14.173  -0.131  -7.121
  217    HE2  LYS  28           HE3      LYS  28  14.464  -1.695  -9.683
  218    HE3  LYS  28           HE2      LYS  28  15.529  -1.759  -8.274
  219    HZ1  LYS  28           HZ1      LYS  28  13.099  -2.325  -7.200
  220    HZ2  LYS  28           HZ2      LYS  28  14.240  -3.474  -7.674
  221    HZ3  LYS  28           HZ3      LYS  28  12.982  -3.076  -8.703
  222    H    GLU  29           H        GLU  29  10.100  -0.593  -9.529
  223    HA   GLU  29           HA       GLU  29  10.333   0.147 -12.225
  224    HB2  GLU  29           HB3      GLU  29   9.628  -2.402 -10.777
  225    HB3  GLU  29           HB2      GLU  29   9.834  -2.282 -12.535
  226    HG2  GLU  29           HG3      GLU  29  12.099  -1.655 -12.385
  227    HG3  GLU  29           HG2      GLU  29  11.936  -1.189 -10.703
  228    H    ASP  30           H        ASP  30   7.552  -0.502 -10.110
  229    HA   ASP  30           HA       ASP  30   5.814   0.161 -12.314
  230    HB2  ASP  30           HB3      ASP  30   5.145  -1.061  -9.729
  231    HB3  ASP  30           HB2      ASP  30   3.905  -0.233 -10.633
  232    H    ILE  31           H        ILE  31   6.554   1.636  -9.205
  233    HA   ILE  31           HA       ILE  31   4.579   3.657  -9.832
  234    HB   ILE  31           HB       ILE  31   4.884   2.606  -7.507
  235   HG12  ILE  31          HG13      ILE  31   3.691   4.757  -7.750
  236   HG13  ILE  31          HG12      ILE  31   4.463   4.582  -6.197
  237   HG21  ILE  31          HG21      ILE  31   7.311   2.614  -7.387
  238   HG22  ILE  31          HG22      ILE  31   6.615   3.513  -6.036
  239   HG23  ILE  31          HG23      ILE  31   7.292   4.388  -7.398
  240   HD11  ILE  31          HD11      ILE  31   5.886   6.262  -6.543
  241   HD12  ILE  31          HD12      ILE  31   4.626   6.828  -7.659
  242   HD13  ILE  31          HD13      ILE  31   6.011   5.902  -8.287
  243    HA   PRO  32           HA       PRO  32   7.502   5.708 -12.050
  244    HB2  PRO  32           HB2      PRO  32   6.130   8.261 -11.260
  245    HB3  PRO  32           HB3      PRO  32   6.545   7.644 -12.870
  246    HG2  PRO  32           HG3      PRO  32   4.042   7.471 -11.983
  247    HG3  PRO  32           HG2      PRO  32   4.789   6.153 -12.907
  248    HD2  PRO  32           HD3      PRO  32   4.350   6.371  -9.973
  249    HD3  PRO  32           HD2      PRO  32   4.126   4.963 -11.033
  250    H    SER  33           H        SER  33   9.336   6.477 -11.790
  251    HA   SER  33           HA       SER  33  10.717   6.735  -9.338
  252    HB2  SER  33           HB3      SER  33  11.948   6.348 -11.493
  253    HB3  SER  33           HB2      SER  33  11.654   8.014 -11.952
  254    HG   SER  33           HG       SER  33  13.203   8.670 -10.642
  255    H    GLU  34           H        GLU  34   9.833   9.160 -11.470
  256    HA   GLU  34           HA       GLU  34  10.134  11.655 -10.431
  257    HB2  GLU  34           HB3      GLU  34   8.901  11.119 -12.481
  258    HB3  GLU  34           HB2      GLU  34   7.543  10.558 -11.547
  259    HG2  GLU  34           HG3      GLU  34   7.372  12.927 -10.656
  260    HG3  GLU  34           HG2      GLU  34   8.497  13.354 -11.959
  261    H    LYS  35           H        LYS  35   7.645   9.699  -9.817
  262    HA   LYS  35           HA       LYS  35   6.409  11.128  -7.645
  263    HB2  LYS  35           HB3      LYS  35   5.590   8.557  -8.915
  264    HB3  LYS  35           HB2      LYS  35   4.702   9.315  -7.596
  265    HG2  LYS  35           HG3      LYS  35   5.368  10.715 -10.171
  266    HG3  LYS  35           HG2      LYS  35   3.840   9.875  -9.857
  267    HD2  LYS  35           HD3      LYS  35   3.461  11.192  -7.907
  268    HD3  LYS  35           HD2      LYS  35   4.966  12.069  -8.123
  269    HE2  LYS  35           HE3      LYS  35   2.621  12.119 -10.028
  270    HE3  LYS  35           HE2      LYS  35   3.036  13.400  -8.882
  271    HZ1  LYS  35           HZ1      LYS  35   3.890  13.939 -11.092
  272    HZ2  LYS  35           HZ2      LYS  35   4.755  12.494 -11.128
  273    HZ3  LYS  35           HZ3      LYS  35   5.131  13.678  -9.996
  274    H    SER  36           H        SER  36   7.858   7.889  -7.651
  275    HA   SER  36           HA       SER  36   7.518   7.227  -5.054
  276    HB2  SER  36           HB3      SER  36   8.381   5.783  -6.692
  277    HB3  SER  36           HB2      SER  36   9.880   6.713  -6.884
  278    HG   SER  36           HG       SER  36   9.626   4.673  -5.449
  279    H    GLU  37           H        GLU  37   9.545   9.393  -6.273
  280    HA   GLU  37           HA       GLU  37  11.428   9.700  -4.172
  281    HB2  GLU  37           HB3      GLU  37  10.725  11.900  -6.112
  282    HB3  GLU  37           HB2      GLU  37  12.132  11.894  -5.039
  283    HG2  GLU  37           HG3      GLU  37  12.925   9.827  -6.139
  284    HG3  GLU  37           HG2      GLU  37  11.532   9.914  -7.209
  285    H    GLU  38           H        GLU  38   8.407  11.759  -4.664
  286    HA   GLU  38           HA       GLU  38   8.842  13.003  -2.224
  287    HB2  GLU  38           HB3      GLU  38   6.682  14.031  -2.829
  288    HB3  GLU  38           HB2      GLU  38   7.867  14.107  -4.113
  289    HG2  GLU  38           HG3      GLU  38   6.766  12.186  -5.216
  290    HG3  GLU  38           HG2      GLU  38   5.589  12.129  -3.943
  291    H    ILE  39           H        ILE  39   8.228   9.984  -2.212
  292    HA   ILE  39           HA       ILE  39   5.735   9.981  -0.802
  293    HB   ILE  39           HB       ILE  39   7.441   7.723  -1.824
  294   HG12  ILE  39          HG13      ILE  39   4.635   8.617  -2.476
  295   HG13  ILE  39          HG12      ILE  39   6.094   9.117  -3.379
  296   HG21  ILE  39          HG21      ILE  39   5.488   6.264  -1.244
  297   HG22  ILE  39          HG22      ILE  39   4.909   7.533  -0.151
  298   HG23  ILE  39          HG23      ILE  39   6.468   6.742   0.141
  299   HD11  ILE  39          HD11      ILE  39   5.891   7.329  -4.569
  300   HD12  ILE  39          HD12      ILE  39   4.346   7.159  -3.761
  301   HD13  ILE  39          HD13      ILE  39   5.718   6.286  -3.091
  302    H    THR  40           H        THR  40   6.903  11.441   0.686
  303    HA   THR  40           HA       THR  40   8.189  10.053   2.891
  304    HB   THR  40           HB       THR  40   9.237  12.041   2.336
  305    HG1  THR  40           HG1      THR  40   7.781  12.329   4.684
  306   HG21  THR  40          HG21      THR  40   6.505  13.078   2.031
  307   HG22  THR  40          HG22      THR  40   7.919  13.333   1.033
  308   HG23  THR  40          HG23      THR  40   7.720  14.274   2.529
  309    H    THR  41           H        THR  41   5.351   9.552   2.393
  310    HA   THR  41           HA       THR  41   4.716   9.170   4.963
  311    HB   THR  41           HB       THR  41   3.981  11.285   5.229
  312    HG1  THR  41           HG1      THR  41   2.044  10.916   6.106
  313   HG21  THR  41          HG21      THR  41   3.175  11.329   2.593
  314   HG22  THR  41          HG22      THR  41   3.045  12.652   3.734
  315   HG23  THR  41          HG23      THR  41   1.688  11.543   3.522
  316    H    GLY  42           H        GLY  42   3.132   7.739   5.326
  317    HA2  GLY  42           HA3      GLY  42   3.057   5.797   3.272
  318    HA3  GLY  42           HA2      GLY  42   2.049   5.723   4.712
  319    H    SER  43           H        SER  43   0.297   7.840   4.525
  320    HA   SER  43           HA       SER  43  -1.516   7.204   2.734
  321    HB2  SER  43           HB3      SER  43  -0.833   9.852   4.001
  322    HB3  SER  43           HB2      SER  43  -2.426   9.405   3.337
  323    HG   SER  43           HG       SER  43  -2.802   8.409   5.136
  324    H    ALA  44           H        ALA  44   1.079   9.359   2.421
  325    HA   ALA  44           HA       ALA  44   0.456  10.766   0.044
  326    HB1  ALA  44           HB1      ALA  44   2.968  10.371   1.396
  327    HB2  ALA  44           HB2      ALA  44   2.461  11.717   0.389
  328    HB3  ALA  44           HB3      ALA  44   3.198  10.286  -0.352
  329    H    TRP  45           H        TRP  45   2.216   7.693   0.277
  330    HA   TRP  45           HA       TRP  45   2.352   7.255  -2.511
  331    HB2  TRP  45           HB3      TRP  45   3.689   6.017  -0.776
  332    HB3  TRP  45           HB2      TRP  45   2.214   5.221  -0.294
  333    HD1  TRP  45           HD1      TRP  45   3.499   5.642  -3.949
  334    HE1  TRP  45           HE1      TRP  45   3.673   3.251  -4.940
  335    HE3  TRP  45           HE3      TRP  45   2.319   2.892   0.185
  336    HZ2  TRP  45           HZ2      TRP  45   3.411   0.668  -4.132
  337    HZ3  TRP  45           HZ3      TRP  45   2.336   0.432  -0.031
  338    HH2  TRP  45           HH2      TRP  45   2.876  -0.621  -2.173
  339    H    PHE  46           H        PHE  46   0.062   6.001  -0.157
  340    HA   PHE  46           HA       PHE  46  -1.449   4.662  -2.031
  341    HB2  PHE  46           HB3      PHE  46  -2.475   6.104   0.391
  342    HB3  PHE  46           HB2      PHE  46  -3.390   4.958  -0.572
  343    HD1  PHE  46           HD1      PHE  46  -2.082   2.786  -1.056
  344    HD2  PHE  46           HD2      PHE  46  -1.497   5.270   2.365
  345    HE1  PHE  46           HE1      PHE  46  -1.308   0.844   0.211
  346    HE2  PHE  46           HE2      PHE  46  -0.778   3.328   3.644
  347    HZ   PHE  46           HZ       PHE  46  -0.652   1.094   2.511
  348    H    SER  47           H        SER  47  -1.976   7.689  -0.807
  349    HA   SER  47           HA       SER  47  -4.017   8.605  -2.564
  350    HB2  SER  47           HB3      SER  47  -2.074  10.362  -1.090
  351    HB3  SER  47           HB2      SER  47  -3.570  10.928  -1.845
  352    HG   SER  47           HG       SER  47  -4.389   8.984  -0.441
  353    H    PHE  48           H        PHE  48  -0.613   8.615  -3.140
  354    HA   PHE  48           HA       PHE  48  -0.731  10.123  -5.590
  355    HB2  PHE  48           HB3      PHE  48   1.473   9.798  -4.674
  356    HB3  PHE  48           HB2      PHE  48   1.198   8.054  -4.503
  357    HD1  PHE  48           HD1      PHE  48   0.993  10.603  -7.228
  358    HD2  PHE  48           HD2      PHE  48   2.117   6.719  -5.989
  359    HE1  PHE  48           HE1      PHE  48   1.584  10.051  -9.494
  360    HE2  PHE  48           HE2      PHE  48   2.744   6.171  -8.300
  361    HZ   PHE  48           HZ       PHE  48   2.471   7.830 -10.055
  362    H    LEU  49           H        LEU  49  -0.509   6.626  -4.773
  363    HA   LEU  49           HA       LEU  49  -0.636   5.502  -7.169
  364    HB2  LEU  49           HB3      LEU  49  -0.258   4.895  -4.759
  365    HB3  LEU  49           HB2      LEU  49  -1.995   4.497  -4.753
  366    HG   LEU  49           HG       LEU  49  -1.398   2.494  -6.320
  367   HD11  LEU  49          HD11      LEU  49   0.596   4.056  -7.161
  368   HD12  LEU  49          HD12      LEU  49   0.628   2.289  -7.222
  369   HD13  LEU  49          HD13      LEU  49   1.432   3.141  -5.902
  370   HD21  LEU  49          HD21      LEU  49  -0.238   1.235  -4.707
  371   HD22  LEU  49          HD22      LEU  49  -1.195   2.391  -3.788
  372   HD23  LEU  49          HD23      LEU  49   0.538   2.659  -4.035
  373    H    GLU  50           H        GLU  50  -3.186   6.026  -4.903
  374    HA   GLU  50           HA       GLU  50  -5.673   5.547  -6.152
  375    HB2  GLU  50           HB3      GLU  50  -5.240   8.097  -4.546
  376    HB3  GLU  50           HB2      GLU  50  -6.800   7.431  -4.953
  377    HG2  GLU  50           HG3      GLU  50  -6.379   5.545  -3.496
  378    HG3  GLU  50           HG2      GLU  50  -4.766   6.162  -3.123
  379    H    SER  51           H        SER  51  -4.008   8.259  -6.164
  380    HA   SER  51           HA       SER  51  -5.461   9.959  -7.996
  381    HB2  SER  51           HB3      SER  51  -2.460  10.290  -7.579
  382    HB3  SER  51           HB2      SER  51  -3.485  11.440  -8.427
  383    HG   SER  51           HG       SER  51  -3.692  10.637  -5.724
  384    H    HIS  52           H        HIS  52  -2.989   7.569  -8.662
  385    HA   HIS  52           HA       HIS  52  -3.588   8.018 -11.490
  386    HB2  HIS  52           HB3      HIS  52  -1.168   6.727 -10.295
  387    HB3  HIS  52           HB2      HIS  52  -1.449   6.657 -12.059
  388    HD1  HIS  52           HD1      HIS  52   0.695   8.196 -12.667
  389    HD2  HIS  52           HD2      HIS  52  -1.781   9.582  -9.685
  390    HE1  HIS  52           HE1      HIS  52   1.534  10.470 -12.216
  391    H    ASN  53           H        ASN  53  -2.768   5.485 -12.532
  392    HA   ASN  53           HA       ASN  53  -5.139   4.021 -11.703
  393    HB2  ASN  53           HB3      ASN  53  -3.437   3.695 -14.183
  394    HB3  ASN  53           HB2      ASN  53  -4.820   2.694 -13.776
  395   HD21  ASN  53          HD22      ASN  53  -3.926   5.125 -15.695
  396   HD22  ASN  53          HD21      ASN  53  -5.425   6.000 -15.792
  397    H    LYS  54           H        LYS  54  -2.981   3.805  -9.891
  398    HA   LYS  54           HA       LYS  54  -2.455   1.008 -10.449
  399    HB2  LYS  54           HB3      LYS  54  -0.580   2.633  -8.693
  400    HB3  LYS  54           HB2      LYS  54  -0.410   0.931  -9.057
  401    HG2  LYS  54           HG3      LYS  54   0.025   3.291 -10.877
  402    HG3  LYS  54           HG2      LYS  54   1.111   2.010 -10.337
  403    HD2  LYS  54           HD3      LYS  54  -1.232   1.540 -12.147
  404    HD3  LYS  54           HD2      LYS  54   0.406   1.778 -12.736
  405    HE2  LYS  54           HE3      LYS  54   1.115  -0.218 -11.508
  406    HE3  LYS  54           HE2      LYS  54  -0.554  -0.447 -10.952
  407    HZ1  LYS  54           HZ1      LYS  54  -1.068  -0.404 -13.495
  408    HZ2  LYS  54           HZ2      LYS  54  -0.472  -1.823 -12.823
  409    HZ3  LYS  54           HZ3      LYS  54   0.558  -0.815 -13.687
  410    H    LEU  55           H        LEU  55  -4.297   2.869  -8.480
  411    HA   LEU  55           HA       LEU  55  -5.038   0.526  -7.007
  412    HB2  LEU  55           HB3      LEU  55  -3.072   1.027  -5.704
  413    HB3  LEU  55           HB2      LEU  55  -3.538   2.681  -5.500
  414    HG   LEU  55           HG       LEU  55  -5.082   0.391  -4.175
  415   HD11  LEU  55          HD11      LEU  55  -3.423   2.134  -2.489
  416   HD12  LEU  55          HD12      LEU  55  -2.499   1.081  -3.555
  417   HD13  LEU  55          HD13      LEU  55  -3.661   0.389  -2.433
  418   HD21  LEU  55          HD21      LEU  55  -5.570   2.300  -2.531
  419   HD22  LEU  55          HD22      LEU  55  -6.434   2.335  -4.073
  420   HD23  LEU  55          HD23      LEU  55  -5.029   3.368  -3.813
  421    H    ASP  56           H        ASP  56  -6.905   0.542  -7.043
  422    HA   ASP  56           HA       ASP  56  -8.705   2.750  -6.805
  423    HB2  ASP  56           HB3      ASP  56  -9.230  -0.190  -6.878
  424    HB3  ASP  56           HB2      ASP  56 -10.481   1.016  -6.601
  425    H    LYS  57           H        LYS  57 -10.144   2.991  -5.378
  426    HA   LYS  57           HA       LYS  57  -9.640   2.916  -2.619
  427    HB2  LYS  57           HB3      LYS  57 -11.914   3.342  -2.246
  428    HB3  LYS  57           HB2      LYS  57 -11.379   4.365  -3.574
  429    HG2  LYS  57           HG3      LYS  57 -13.013   1.870  -3.679
  430    HG3  LYS  57           HG2      LYS  57 -13.632   3.512  -4.059
  431    HD2  LYS  57           HD3      LYS  57 -11.908   3.522  -5.886
  432    HD3  LYS  57           HD2      LYS  57 -11.689   1.798  -5.462
  433    HE2  LYS  57           HE3      LYS  57 -14.130   3.102  -6.718
  434    HE3  LYS  57           HE2      LYS  57 -12.885   2.085  -7.441
  435    HZ1  LYS  57           HZ1      LYS  57 -14.247   0.716  -5.286
  436    HZ2  LYS  57           HZ2      LYS  57 -13.890   0.254  -6.883
  437    HZ3  LYS  57           HZ3      LYS  57 -15.228   1.190  -6.578
  438    H    ASP  58           H        ASP  58 -10.716   0.367  -4.771
  439    HA   ASP  58           HA       ASP  58 -11.185  -1.174  -2.383
  440    HB2  ASP  58           HB3      ASP  58 -12.621  -1.516  -5.002
  441    HB3  ASP  58           HB2      ASP  58 -12.731  -2.691  -3.691
  442    H    ASN  59           H        ASN  59  -9.483  -1.098  -5.299
  443    HA   ASN  59           HA       ASN  59  -8.554  -3.854  -4.942
  444    HB2  ASN  59           HB3      ASN  59  -7.969  -1.803  -7.046
  445    HB3  ASN  59           HB2      ASN  59  -7.275  -3.426  -7.048
  446   HD21  ASN  59          HD22      ASN  59  -9.900  -1.530  -7.826
  447   HD22  ASN  59          HD21      ASN  59 -11.004  -2.781  -8.247
  448    H    LEU  60           H        LEU  60  -7.116  -4.469  -3.937
  449    HA   LEU  60           HA       LEU  60  -4.962  -2.766  -3.011
  450    HB2  LEU  60           HB3      LEU  60  -4.694  -4.465  -1.182
  451    HB3  LEU  60           HB2      LEU  60  -6.177  -3.511  -1.195
  452    HG   LEU  60           HG       LEU  60  -7.400  -5.447  -2.081
  453   HD11  LEU  60          HD11      LEU  60  -5.380  -7.444  -1.450
  454   HD12  LEU  60          HD12      LEU  60  -4.992  -6.413  -2.840
  455   HD13  LEU  60          HD13      LEU  60  -6.510  -7.287  -2.812
  456   HD21  LEU  60          HD21      LEU  60  -7.614  -6.563  -0.063
  457   HD22  LEU  60          HD22      LEU  60  -7.046  -4.951   0.376
  458   HD23  LEU  60          HD23      LEU  60  -5.916  -6.309   0.362
  459    H    SER  61           H        SER  61  -5.305  -5.364  -4.980
  460    HA   SER  61           HA       SER  61  -3.248  -7.010  -4.614
  461    HB2  SER  61           HB3      SER  61  -4.960  -7.416  -6.320
  462    HB3  SER  61           HB2      SER  61  -4.235  -6.180  -7.349
  463    HG   SER  61           HG       SER  61  -3.528  -8.796  -6.924
  464    H    TYR  62           H        TYR  62  -2.946  -4.094  -6.225
  465    HA   TYR  62           HA       TYR  62  -0.259  -4.211  -7.191
  466    HB2  TYR  62           HB3      TYR  62  -1.690  -2.216  -7.699
  467    HB3  TYR  62           HB2      TYR  62  -1.574  -1.700  -6.022
  468    HD1  TYR  62           HD1      TYR  62   0.449  -2.224  -9.123
  469    HD2  TYR  62           HD2      TYR  62   0.296  -0.427  -5.241
  470    HE1  TYR  62           HE1      TYR  62   2.596  -1.098  -9.515
  471    HE2  TYR  62           HE2      TYR  62   2.469   0.552  -5.610
  472    HH   TYR  62           HH       TYR  62   4.531  -0.264  -7.952
  473    H    ILE  63           H        ILE  63  -1.562  -3.118  -4.175
  474    HA   ILE  63           HA       ILE  63   1.001  -2.586  -3.002
  475    HB   ILE  63           HB       ILE  63  -0.067  -1.521  -1.223
  476   HG12  ILE  63          HG13      ILE  63  -2.720  -2.537  -2.177
  477   HG13  ILE  63          HG12      ILE  63  -1.836  -3.375  -0.890
  478   HG21  ILE  63          HG21      ILE  63  -1.399  -0.019  -2.311
  479   HG22  ILE  63          HG22      ILE  63  -1.633  -1.198  -3.629
  480   HG23  ILE  63          HG23      ILE  63  -0.032  -0.512  -3.347
  481   HD11  ILE  63          HD11      ILE  63  -3.007  -1.999   0.409
  482   HD12  ILE  63          HD12      ILE  63  -3.225  -0.780  -0.873
  483   HD13  ILE  63          HD13      ILE  63  -1.672  -0.926  -0.030
  484    H    GLU  64           H        GLU  64  -1.204  -5.098  -2.931
  485    HA   GLU  64           HA       GLU  64  -0.472  -6.211  -0.323
  486    HB2  GLU  64           HB3      GLU  64  -2.680  -6.881  -1.396
  487    HB3  GLU  64           HB2      GLU  64  -1.762  -7.767  -2.607
  488    HG2  GLU  64           HG3      GLU  64  -0.951  -9.303  -0.919
  489    HG3  GLU  64           HG2      GLU  64  -1.730  -8.361   0.358
  490    H    HIS  65           H        HIS  65   0.441  -7.076  -3.657
  491    HA   HIS  65           HA       HIS  65   2.690  -8.703  -3.113
  492    HB2  HIS  65           HB3      HIS  65   1.567  -8.180  -5.312
  493    HB3  HIS  65           HB2      HIS  65   2.119  -6.527  -5.130
  494    HD1  HIS  65           HD1      HIS  65   3.755 -10.010  -5.376
  495    HD2  HIS  65           HD2      HIS  65   4.250  -6.014  -6.379
  496    HE1  HIS  65           HE1      HIS  65   5.822  -9.974  -6.776
  497    H    ILE  66           H        ILE  66   2.796  -5.280  -3.621
  498    HA   ILE  66           HA       ILE  66   5.312  -4.852  -3.131
  499    HB   ILE  66           HB       ILE  66   3.177  -3.189  -1.897
  500   HG12  ILE  66          HG13      ILE  66   2.902  -3.634  -4.079
  501   HG13  ILE  66          HG12      ILE  66   3.216  -1.864  -4.054
  502   HG21  ILE  66          HG21      ILE  66   5.069  -2.274  -0.813
  503   HG22  ILE  66          HG22      ILE  66   4.937  -1.230  -2.200
  504   HG23  ILE  66          HG23      ILE  66   6.138  -2.504  -2.178
  505   HD11  ILE  66          HD11      ILE  66   4.687  -2.270  -5.655
  506   HD12  ILE  66          HD12      ILE  66   4.307  -3.993  -5.566
  507   HD13  ILE  66          HD13      ILE  66   5.607  -3.344  -4.554
  508    H    PHE  67           H        PHE  67   2.895  -5.151  -0.410
  509    HA   PHE  67           HA       PHE  67   4.909  -4.885   1.399
  510    HB2  PHE  67           HB3      PHE  67   2.146  -6.045   1.811
  511    HB3  PHE  67           HB2      PHE  67   3.285  -5.623   3.087
  512    HD1  PHE  67           HD2      PHE  67   4.106  -3.142   3.082
  513    HD2  PHE  67           HD1      PHE  67   0.696  -4.596   1.064
  514    HE1  PHE  67           HE2      PHE  67   3.280  -0.850   2.846
  515    HE2  PHE  67           HE1      PHE  67  -0.141  -2.316   0.803
  516    HZ   PHE  67           HZ       PHE  67   1.136  -0.428   1.693
  517    H    GLU  68           H        GLU  68   4.010  -7.727  -0.537
  518    HA   GLU  68           HA       GLU  68   5.040  -9.683   1.308
  519    HB2  GLU  68           HB3      GLU  68   3.350 -10.166  -0.451
  520    HB3  GLU  68           HB2      GLU  68   4.493  -9.648  -1.675
  521    HG2  GLU  68           HG3      GLU  68   6.004 -11.485  -0.975
  522    HG3  GLU  68           HG2      GLU  68   4.750 -12.039   0.138
  523    H    ILE  69           H        ILE  69   6.080  -8.259  -1.754
  524    HA   ILE  69           HA       ILE  69   8.532  -9.389  -1.668
  525    HB   ILE  69           HB       ILE  69   9.205  -7.828  -3.409
  526   HG12  ILE  69          HG13      ILE  69   6.493  -6.590  -2.937
  527   HG13  ILE  69          HG12      ILE  69   8.053  -5.807  -2.663
  528   HG21  ILE  69          HG21      ILE  69   6.493  -8.571  -4.200
  529   HG22  ILE  69          HG22      ILE  69   7.454  -9.872  -3.482
  530   HG23  ILE  69          HG23      ILE  69   8.041  -9.012  -4.914
  531   HD11  ILE  69          HD11      ILE  69   7.611  -6.991  -5.227
  532   HD12  ILE  69          HD12      ILE  69   8.401  -5.453  -4.842
  533   HD13  ILE  69          HD13      ILE  69   6.615  -5.546  -4.862
  534    H    SER  70           H        SER  70   7.540  -6.427  -0.274
  535    HA   SER  70           HA       SER  70  10.246  -5.704   0.423
  536    HB2  SER  70           HB3      SER  70   7.605  -4.511   1.235
  537    HB3  SER  70           HB2      SER  70   9.196  -3.801   1.529
  538    HG   SER  70           HG       SER  70   7.877  -4.275  -0.882
  539    H    ARG  71           H        ARG  71  11.075  -5.851   2.374
  540    HA   ARG  71           HA       ARG  71  10.176  -8.020   3.922
  541    HB2  ARG  71           HB3      ARG  71  12.532  -6.221   4.334
  542    HB3  ARG  71           HB2      ARG  71  12.218  -7.684   5.256
  543    HG2  ARG  71           HG3      ARG  71  12.535  -7.557   2.312
  544    HG3  ARG  71           HG2      ARG  71  13.853  -8.024   3.414
  545    HD2  ARG  71           HD3      ARG  71  12.335  -9.946   4.117
  546    HD3  ARG  71           HD2      ARG  71  11.219  -9.461   2.849
  547    HE   ARG  71           HE       ARG  71  13.745  -9.668   1.707
  548   HH11  ARG  71          HH11      ARG  71  11.396 -11.892   3.108
  549   HH12  ARG  71          HH12      ARG  71  11.855 -13.235   2.168
  550   HH21  ARG  71          HH22      ARG  71  14.426 -11.451   0.452
  551   HH22  ARG  71          HH21      ARG  71  13.709 -12.976   0.586
  552    H    ARG  72           H        ARG  72   8.172  -6.601   4.307
  553    HA   ARG  72           HA       ARG  72   8.320  -5.770   7.112
  554    HB2  ARG  72           HB3      ARG  72   8.468  -3.633   5.692
  555    HB3  ARG  72           HB2      ARG  72   6.860  -4.019   5.081
  556    HG2  ARG  72           HG3      ARG  72   6.536  -2.489   6.848
  557    HG3  ARG  72           HG2      ARG  72   6.095  -4.088   7.480
  558    HD2  ARG  72           HD3      ARG  72   8.546  -4.163   8.324
  559    HD3  ARG  72           HD2      ARG  72   8.539  -2.419   8.045
  560    HE   ARG  72           HE       ARG  72   6.426  -3.523   9.665
  561   HH11  ARG  72          HH11      ARG  72   8.828  -1.118   9.665
  562   HH12  ARG  72          HH12      ARG  72   9.273  -1.216  11.322
  563   HH21  ARG  72          HH22      ARG  72   6.891  -3.846  11.889
  564   HH22  ARG  72          HH21      ARG  72   8.039  -2.861  12.715
  565    HA   PRO  73           HA       PRO  73   4.884  -8.750   5.741
  566    HB2  PRO  73           HB2      PRO  73   5.667  -9.987   8.316
  567    HB3  PRO  73           HB3      PRO  73   5.338 -10.731   6.750
  568    HG2  PRO  73           HG3      PRO  73   7.832 -10.470   7.623
  569    HG3  PRO  73           HG2      PRO  73   7.425 -10.231   5.916
  570    HD2  PRO  73           HD3      PRO  73   7.938  -8.205   8.047
  571    HD3  PRO  73           HD2      PRO  73   8.475  -8.222   6.340
  572    H    ASP  74           H        ASP  74   5.300  -6.762   8.547
  573    HA   ASP  74           HA       ASP  74   2.946  -7.509  10.079
  574    HB2  ASP  74           HB3      ASP  74   4.197  -4.735   9.967
  575    HB3  ASP  74           HB2      ASP  74   3.138  -5.374  11.210
  576    H    LEU  75           H        LEU  75   3.728  -5.149   7.902
  577    HA   LEU  75           HA       LEU  75   1.173  -3.923   7.652
  578    HB2  LEU  75           HB3      LEU  75   3.569  -3.687   5.894
  579    HB3  LEU  75           HB2      LEU  75   2.081  -2.841   5.516
  580    HG   LEU  75           HG       LEU  75   2.297  -1.485   7.581
  581   HD11  LEU  75          HD11      LEU  75   3.737  -1.829   9.260
  582   HD12  LEU  75          HD12      LEU  75   5.039  -2.337   8.192
  583   HD13  LEU  75          HD13      LEU  75   3.790  -3.483   8.653
  584   HD21  LEU  75          HD21      LEU  75   4.396  -0.364   6.981
  585   HD22  LEU  75          HD22      LEU  75   3.268  -0.621   5.653
  586   HD23  LEU  75          HD23      LEU  75   4.688  -1.661   5.814
  587    H    LEU  76           H        LEU  76   2.803  -6.026   5.665
  588    HA   LEU  76           HA       LEU  76   0.911  -6.729   3.604
  589    HB2  LEU  76           HB3      LEU  76   3.085  -8.054   3.852
  590    HB3  LEU  76           HB2      LEU  76   2.211  -8.945   5.134
  591    HG   LEU  76           HG       LEU  76   0.460  -9.251   3.393
  592   HD11  LEU  76          HD11      LEU  76   2.553  -9.087   1.390
  593   HD12  LEU  76          HD12      LEU  76   1.408  -7.812   1.776
  594   HD13  LEU  76          HD13      LEU  76   0.822  -9.378   1.219
  595   HD21  LEU  76          HD21      LEU  76   2.137 -11.262   2.488
  596   HD22  LEU  76          HD22      LEU  76   1.032 -11.285   3.873
  597   HD23  LEU  76          HD23      LEU  76   2.723 -10.845   4.118
  598    H    THR  77           H        THR  77   1.275  -8.204   6.634
  599    HA   THR  77           HA       THR  77  -0.863  -9.849   6.966
  600    HB   THR  77           HB       THR  77   0.421  -8.036   8.919
  601    HG1  THR  77           HG1      THR  77   1.897  -9.527   8.232
  602   HG21  THR  77          HG21      THR  77  -1.665 -10.020   9.229
  603   HG22  THR  77          HG22      THR  77  -1.362  -8.496  10.085
  604   HG23  THR  77          HG23      THR  77  -0.403  -9.953  10.520
  605    H    MET  78           H        MET  78  -0.766  -6.454   7.695
  606    HA   MET  78           HA       MET  78  -3.413  -6.145   8.569
  607    HB2  MET  78           HB3      MET  78  -1.637  -4.102   7.256
  608    HB3  MET  78           HB2      MET  78  -3.145  -3.714   8.068
  609    HG2  MET  78           HG3      MET  78  -0.885  -5.149   9.348
  610    HG3  MET  78           HG2      MET  78  -1.090  -3.373   9.471
  611    HE1  MET  78           HE1      MET  78  -0.580  -5.078  11.862
  612    HE2  MET  78           HE2      MET  78  -1.857  -4.765  13.036
  613    HE3  MET  78           HE3      MET  78  -1.133  -3.425  12.155
  614    H    VAL  79           H        VAL  79  -2.050  -6.045   5.337
  615    HA   VAL  79           HA       VAL  79  -4.446  -5.209   3.980
  616    HB   VAL  79           HB       VAL  79  -2.052  -6.719   2.906
  617   HG11  VAL  79          HG11      VAL  79  -2.835  -5.143   0.862
  618   HG12  VAL  79          HG12      VAL  79  -4.381  -5.480   1.645
  619   HG13  VAL  79          HG13      VAL  79  -3.371  -6.812   1.098
  620   HG21  VAL  79          HG21      VAL  79  -1.676  -4.475   4.154
  621   HG22  VAL  79          HG22      VAL  79  -2.252  -3.757   2.642
  622   HG23  VAL  79          HG23      VAL  79  -0.841  -4.801   2.634
  623    H    VAL  80           H        VAL  80  -2.773  -8.260   4.464
  624    HA   VAL  80           HA       VAL  80  -4.577 -10.016   3.247
  625    HB   VAL  80           HB       VAL  80  -2.781 -10.452   5.692
  626   HG11  VAL  80          HG11      VAL  80  -4.133 -12.506   3.921
  627   HG12  VAL  80          HG12      VAL  80  -4.485 -12.151   5.622
  628   HG13  VAL  80          HG13      VAL  80  -2.921 -12.857   5.178
  629   HG21  VAL  80          HG21      VAL  80  -1.124 -10.255   4.208
  630   HG22  VAL  80          HG22      VAL  80  -2.251 -10.262   2.847
  631   HG23  VAL  80          HG23      VAL  80  -1.708 -11.785   3.521
  632    H    ASP  81           H        ASP  81  -4.339  -9.163   6.471
  633    HA   ASP  81           HA       ASP  81  -6.593 -10.368   7.594
  634    HB2  ASP  81           HB3      ASP  81  -4.975  -9.511   9.123
  635    HB3  ASP  81           HB2      ASP  81  -5.245  -7.853   8.594
  636    H    TYR  82           H        TYR  82  -6.341  -7.217   6.347
  637    HA   TYR  82           HA       TYR  82  -8.964  -6.111   6.575
  638    HB2  TYR  82           HB3      TYR  82  -7.201  -4.763   5.867
  639    HB3  TYR  82           HB2      TYR  82  -6.880  -5.779   4.450
  640    HD1  TYR  82           HD2      TYR  82  -9.503  -3.628   5.959
  641    HD2  TYR  82           HD1      TYR  82  -7.822  -5.301   2.443
  642    HE1  TYR  82           HE2      TYR  82 -10.993  -2.273   4.571
  643    HE2  TYR  82           HE1      TYR  82  -9.298  -3.993   1.071
  644    HH   TYR  82           HH       TYR  82 -10.906  -2.400   1.057
  645    H    ARG  83           H        ARG  83  -7.444  -7.839   3.848
  646    HA   ARG  83           HA       ARG  83  -9.506  -7.715   2.108
  647    HB2  ARG  83           HB3      ARG  83  -7.283  -8.047   1.485
  648    HB3  ARG  83           HB2      ARG  83  -7.087  -9.386   2.569
  649    HG2  ARG  83           HG3      ARG  83  -8.842  -9.594   0.226
  650    HG3  ARG  83           HG2      ARG  83  -7.076  -9.699   0.010
  651    HD2  ARG  83           HD3      ARG  83  -7.188 -11.554   1.773
  652    HD3  ARG  83           HD2      ARG  83  -8.933 -11.522   1.568
  653    HE   ARG  83           HE       ARG  83  -8.633 -12.802  -0.270
  654   HH11  ARG  83          HH11      ARG  83  -5.558 -10.740  -0.082
  655   HH12  ARG  83          HH12      ARG  83  -4.880 -11.368  -1.415
  656   HH21  ARG  83          HH22      ARG  83  -7.536 -13.711  -2.172
  657   HH22  ARG  83          HH21      ARG  83  -6.028 -13.082  -2.698
  658    H    THR  84           H        THR  84  -8.679 -10.057   4.097
  659    HA   THR  84           HA       THR  84 -10.803 -11.953   3.784
  660    HB   THR  84           HB       THR  84  -9.321 -11.454   6.331
  661    HG1  THR  84           HG1      THR  84  -7.678 -11.873   4.906
  662   HG21  THR  84          HG21      THR  84 -11.172 -12.854   6.467
  663   HG22  THR  84          HG22      THR  84  -9.686 -13.849   6.591
  664   HG23  THR  84          HG23      THR  84 -10.571 -13.743   5.031
  665    H    ARG  85           H        ARG  85 -10.325  -9.970   6.258
  666    HA   ARG  85           HA       ARG  85 -12.684 -10.089   7.595
  667    HB2  ARG  85           HB3      ARG  85 -12.485  -8.033   8.975
  668    HB3  ARG  85           HB2      ARG  85 -11.057  -9.053   8.961
  669    HG2  ARG  85           HG3      ARG  85  -9.964  -7.433   7.434
  670    HG3  ARG  85           HG2      ARG  85 -11.384  -6.393   7.548
  671    HD2  ARG  85           HD3      ARG  85 -11.209  -6.150   9.800
  672    HD3  ARG  85           HD2      ARG  85 -10.046  -7.464   9.975
  673    HE   ARG  85           HE       ARG  85  -8.406  -6.064   9.647
  674   HH11  ARG  85          HH11      ARG  85 -11.270  -4.225   8.630
  675   HH12  ARG  85          HH12      ARG  85 -10.397  -2.808   8.189
  676   HH21  ARG  85          HH22      ARG  85  -7.207  -4.137   9.051
  677   HH22  ARG  85          HH21      ARG  85  -7.943  -2.736   8.505
  678    H    VAL  86           H        VAL  86 -12.020  -7.664   5.527
  679    HA   VAL  86           HA       VAL  86 -14.533  -6.504   5.587
  680    HB   VAL  86           HB       VAL  86 -12.457  -6.296   3.451
  681   HG11  VAL  86          HG11      VAL  86 -14.079  -5.341   2.074
  682   HG12  VAL  86          HG12      VAL  86 -14.119  -4.043   3.253
  683   HG13  VAL  86          HG13      VAL  86 -15.268  -5.371   3.381
  684   HG21  VAL  86          HG21      VAL  86 -12.870  -3.894   4.672
  685   HG22  VAL  86          HG22      VAL  86 -11.614  -5.069   5.088
  686   HG23  VAL  86          HG23      VAL  86 -13.146  -5.085   5.955
  687    H    LEU  87           H        LEU  87 -13.380  -9.081   3.689
  688    HA   LEU  87           HA       LEU  87 -15.659  -9.572   2.015
  689    HB2  LEU  87           HB3      LEU  87 -13.677 -11.391   3.288
  690    HB3  LEU  87           HB2      LEU  87 -14.931 -12.002   2.198
  691    HG   LEU  87           HG       LEU  87 -12.638 -10.127   1.556
  692   HD11  LEU  87          HD11      LEU  87 -13.097 -12.845   0.380
  693   HD12  LEU  87          HD12      LEU  87 -12.295 -12.669   1.934
  694   HD13  LEU  87          HD13      LEU  87 -11.590 -11.925   0.503
  695   HD21  LEU  87          HD21      LEU  87 -13.380 -10.452  -0.814
  696   HD22  LEU  87          HD22      LEU  87 -14.499  -9.514   0.176
  697   HD23  LEU  87          HD23      LEU  87 -14.848 -11.201  -0.202
  698    H    LYS  88           H        LYS  88 -14.761 -10.693   5.162
  699    HA   LYS  88           HA       LYS  88 -17.078 -12.204   5.646
  700    HB2  LYS  88           HB3      LYS  88 -14.988 -12.651   6.725
  701    HB3  LYS  88           HB2      LYS  88 -15.141 -11.153   7.640
  702    HG2  LYS  88           HG3      LYS  88 -16.938 -11.981   8.876
  703    HG3  LYS  88           HG2      LYS  88 -17.198 -13.328   7.768
  704    HD2  LYS  88           HD3      LYS  88 -15.126 -14.154   8.207
  705    HD3  LYS  88           HD2      LYS  88 -14.730 -12.890   9.393
  706    HE2  LYS  88           HE3      LYS  88 -16.640 -13.687  10.789
  707    HE3  LYS  88           HE2      LYS  88 -16.965 -14.949   9.617
  708    HZ1  LYS  88           HZ1      LYS  88 -15.770 -16.002  11.292
  709    HZ2  LYS  88           HZ2      LYS  88 -14.657 -14.731  11.479
  710    HZ3  LYS  88           HZ3      LYS  88 -14.597 -15.707  10.115
  711    H    ILE  89           H        ILE  89 -16.357  -8.814   6.418
  712    HA   ILE  89           HA       ILE  89 -18.595  -8.394   8.054
  713    HB   ILE  89           HB       ILE  89 -16.673  -6.660   6.547
  714   HG12  ILE  89          HG13      ILE  89 -16.871  -7.285   9.504
  715   HG13  ILE  89          HG12      ILE  89 -15.650  -7.845   8.360
  716   HG21  ILE  89          HG21      ILE  89 -17.450  -4.743   7.663
  717   HG22  ILE  89          HG22      ILE  89 -18.770  -5.692   8.408
  718   HG23  ILE  89          HG23      ILE  89 -18.644  -5.539   6.626
  719   HD11  ILE  89          HD11      ILE  89 -15.183  -5.340   8.001
  720   HD12  ILE  89          HD12      ILE  89 -14.557  -6.137   9.447
  721   HD13  ILE  89          HD13      ILE  89 -16.013  -5.158   9.560
  722    H    SER  90           H        SER  90 -17.727  -7.581   4.737
  723    HA   SER  90           HA       SER  90 -20.336  -6.512   4.200
  724    HB2  SER  90           HB3      SER  90 -17.934  -6.864   2.421
  725    HB3  SER  90           HB2      SER  90 -19.367  -5.915   2.028
  726    HG   SER  90           HG       SER  90 -17.241  -5.163   3.403