*HEADER    TOXIN                                   16-JUN-99   1QK6
*TITLE     SOLUTION STRUCTURE OF HUWENTOXIN-I BY NMR
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: HUWENTOXIN-I;
*COMPND   3 CHAIN: A
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: SELENOCOSMIA HUWENA;
*SOURCE   3 ORGANISM_COMMON: CHINESE BIRD SPIDER;
*SOURCE   4 ORGAN: VENOM GLAND;
*SOURCE   5 SECRETION: VENOM
*KEYWDS    TOXIN, HUWENTOXIN-I, SPIDER, CYSTINE KNOT
*EXPDTA    NMR, 10 STRUCTURES
*AUTHOR    Y.QU,S.LIANG,J.DING,X.LIU,R.ZHANG,X.GU
*REVDAT   1   20-AUG-99 1QK6    0




! 56 long range NOE constraints
assign (resid  6 and name HA  ) (resid 28 and name HB# ) 2.7 0.9 1.0
assign (resid  6 and name HN  ) (resid 28 and name HB# ) 5.0 3.2 l.0
assign (resid  6 and name HN  ) (resid 28 and name HD1 ) 5.0 3.2 0.0
assign (resid  8 and name HA  ) (resid 28 and name HA  ) 2.7 0.9 0.0
assign (resid  8 and name HA  ) (resid 28 and name HB# ) 3.3 l.5 l.0
assign (resid  8 and name HB# ) (resid 28 and name HA  ) 3.3 1.5 l.0
assign (resid  8 and name HN  ) (resid 28 and name HA  ) 5.0 3.2 0.0
assign (resid  9 and name HB# ) (resid 22 and name HB# ) 5.0 3.2 2.0
assign (resid  9 and name HN  ) (resid 27 and name HA  ) 5.0 3.2 0.0
assign (resid  9 and name HN  ) (resid 27 and name HB# ) 5.0 3.2 1.0

assign (resid  9 and name HN  ) (resid 28 and name HA  ) 3.3 1.5 0.0
assign (resid 11 and name HA  ) (resid 22 and name HB# ) 2.7 0.9 1.0
assign (resid 12 and name HN  ) (resid 22 and name HB# ) 5.0 3.2 l.0
assign (resid 16 and name HB# ) (resid 29 and name HB# ) 5.0 3.2 2.0
assign (resid 17 and name HA  ) (resid  2 and name HB# ) 3.3 1.5 1.0
assign (resid 17 and name HN  ) (resid  2 and name HB# ) 3.3 l.5 l.0
assign (resid 17 and namellN  ) (resid  3 and name HB# ) 5.0 3.2 l.0
assign (resid 20 and name HD# ) (resid  5 and name HG# ) 3.3 l.5 3.4
assign (resid 20 and name HG# ) (resid  5 and name HG# ) 3.3 l.5 3.4
assign (resid 20 and name HH# ) (resid  5 and name HG# ) 5.0 3.2 4.8

assign (resid 21 and name HN  ) (resid 30 and name HD# ) 5.0 3.2 l.0
assign (resid 22 and name HA  ) (resid 29 and name HA  ) 2.7 0.9 0.0
assign (resid 23 and name ha  ) (resid 28 and name HA  ) 5.0 3.2 0.0
assign (resid 23 and name HN  ) (resid 28 and name HD1 ) 5.0 3.2 0.0
assign (resid 23 and name HN  ) (resid 28 and name HN  ) 3.3 1.5 0.0
assign (resid 23 and name HN  ) (resid 30 and name HD# ) 5.0 3.2 l.0
assign (resid 23 and name HN  ) (resid 30 and name HG# ) 5.0 3.2 l.0
assign (resid 24 and name HA  ) (resid 11 and name HB# ) 5.0 3.2 l.0
assign (resid 24 and name HA  ) (resid 11 and name HG# ) 3.3 l.5 1.0
assign (resid 28 and name HD1 ) (resid  6 and name HA  ) 3.3 l.5 0.0

assign (resid 28 and name HD1 ) (resid  6 and name HD# ) 5.0 3.2 2.4
assign (resid 28 and name HD1 ) (resid 23 and name HB# ) 3.3 l.5 l.0
assign (resid 28 and name HE1 ) (resid  6 and name HD# ) 5.0 3.2 2.4
assign (resid 28 and name HE1 ) (resid  6 and name HE# ) 3.3 1.5 2.4
assign (resid 28 and name HN  ) (resid 23 and name HB# ) 3.3 1.5 i.0
assign (resid 29 and name HN  ) (resid  7 and name HN  ) 3.3 1.5 0.0
assign (resid 30 and name HA  ) (resid  5 and name HG# ) 3.3 l.5 2.4
assign (resid 30 and name HN  ) (resid  5 and name HG# ) 5.0 3.2 2.4
assign (resid 30 and name AN  ) (resid 21 and name HG# ) 5.0 3.2 2.4
assign (resid 30 and name gy  ) (resid 21 and name HN  ) 3.3 1.5 0.0

assign (resid 30 and name HN  ) (resid 22 and name HA  ) 5.0 3.2 0.0
assign (resid 31 and name HA  ) (resid 20 and name HG# ) 3.3 1.5 l.0
assign (resid 31 and name HB# ) (resid 21 and name HG# ) 5.0 3.2 3.4
assign (resid 31 and name HD1 ) (resid  5 and name HG# ) 3.3 l.5 2.4
assign (resid 31 and name HE1 ) (resid  5 and name HB  ) 5.0 3.2 0.0
assign (resid 31 and name HE1 ) (resid  5 and name HG# ) 3.3 l.5 2.4
assign (resid 31 and name HE1 ) (resid 20 and name HH# ) 5.0 3.2 2.4
assign (resid 31 and name HE3 ) (resid 19 and name HB# ) 3.3 l.5 l.0
assign (resid 31 and name HE3 ) (resid 20 and name HA  ) 5.0 3.2 0.0
assign (resid 31 and name HE3 ) (resid 20 and name HG# ) 3.3 l.5 l.0

assign (resid 31 and name HN  ) (resid  5 and name HG# ) 5.0 3.2 2.4
assign (resid 31 and name HN  ) (resid 20 and name HG# ) 5.0 3.2 1.0
assign (resid 31 and name HZZ ) (resid  5 and name HG# ) 5.0 3.2 2.4
assign (resid 31 and name HZ3 ) (resid 19 and name HB# ) 3.3 1.5 l.0
assign (resid 32 and name HA  ) (resid 21 and name HG# ) 3.3 l.5 2.4
assign (resid 32 and name HN  ) (resid 20 and name HG# ) 5.0 3.2 l.0

! 23 Medium range NOE constraints ) 
assign (resid  4 and name HN  ) (resid  7 and name HB# ) 3.3 1.5 l.0
assign (resid  5 and name HN  ) (resid  3 and name HB# ) 5.0 3.2 1.0
assign (resid  7 and name HB# ) (resid  3 and name HB# ) 2.7 0.9 2.0
assign (resid 10 and name HB  ) (resid 13 and name HB# ) 2.7 0.9 1.0
assign (resid 10 and name HB  ) (resid 13 and name HD# ) 3.3 1.5 l.0
assign (resid 10 and name HB  ) (resid 13 and name HG# ) 2.7 0.9 l.0
assign (resid 10 and name HN  ) (resid 13 and name HB# ) 5.0 3.2 1.0
assign (resid 10 and name HN  ) (resid 13 and name HD# ) 5 0 3.2 1.0
assign (resid 10 and name HN  ) (resid 13 and name HG# ) 5.0 3.2 l.0
assign (resid 12 and name HN  ) (resid 14 and name HN  ) 5.0 3.2 0.0

assign (resid 13 and name HN  ) (resid 10 and name HG2#) 5.0 3.2 l.0
assign (resid 13 and name HN  ) (resid 11 and name HA  ) 3.3 l.5 0.0
assign (resid 16 and name HB# ) (resid 20 and name HB# ) 2.7 0.9 2.0
assign (resid 27 and name HN  ) (resid 25 and name HN  ) 5.0 3.2 0.0
assign (resid 28 and name HD1 ) (resid 26 and name HB# ) 5.0 3.2 l.0
assign (resid 28 and name HD1 ) (resid 30 and name HA  ) 5.0 3.2 0.0
assign (resid 28 and name HD1 ) (resid 30 and name HB# ) 3.3 l.5 1.0
assign (resid 28 and name HD1 ) (resid 30 and name HD# ) 5.0 3.2 l.0
assign (resid 28 and name HD1 ) (resid 30 and name HG# ) 3.3 l.5 l.0
assign (resid 28 and name HE1 ) (resid 30 and name HB# ) 5.0 3.2 1.0

assign (resid 28 and name HE1 ) (resid 30 and name HD# ) 5.0 3.2 l.0
assign (resid 28 and name HE1 ) (resid 30 and name HG# ) 5.0 3.2 1.0
assign (resid 33 and name gy  ) (resid 31 and name HB# ) 5.0 3.2 l.0
! 82 Sequential NOE constraints
assign (resid  2 and name HN  ) (resid  1 and name HA  ) 5.0 3.2 0.0
assign (resid  4 and name HN  ) (resid  3 and name HA  ) 2.7 0.9 0.0
assign (resid  4 and name HN  ) (resid  3 and name HB# ) 2.7 0.9 1.0
assign (resid  4 and name HN  ) (resid  3 and name HG# ) 3.3 1.5 1.0
assign (resid  4 and name HN  ) (resid  5 and name HN  ) 5.0 3.2 0.0
assign (resid  5 and name HN  ) (resid  4 and name HA# ) 2.7 0.9 l.0
assign (resid  6 and name HD# ) (resid  5 and name HG# ) 5.0 3.2 4.8
assign (resid  6 and name HE# ) (resid  5 and name HG# ) 5.0 3.2 4.8
assign (resid  6 and name HN  ) (resid  5 and name HA  ) 5.0 3.2 0.0
assign (resid  6 and name HN  ) (resid  5 and name HB  ) 3.3 l.5 0.0

assign (resid  6 and name HN  ) (resid  5 and name HG# ) 3.3 1.5 2.4
assign (resid  6 and name HN  ) (resid  5 and name HN  ) 5.0 3.2 0.0
assign (resid  6 and name HN  ) (resid  7 and name HN  ) 3.3 1.5 0.0
assign (resid  7 and name HN  ) (resid  6 and name HA  ) 3.3 l.5 0.0
assign (resid  7 and name HN  ) (resid  6 and name HB# ) 5.0 3.2 l.0
assign (resid  8 and name HN  ) (resid  7 and name HA  ) 2.7 0.9 0.0
assign (resid  8 and name HN  ) (resid  7 and name HB# ) 3.3 l.5 1.0
assign (resid  9 and name HN  ) (resid  8 and name HB# ) 3.3 1.5 1.0
assign (resid 10 and name HA  ) (resid 11 and name HD# ) 2.7 0.9 1.0
assign (resid 10 and name HA  ) (resid 11 and name HG# ) 3.3 l.5 1.0

assign (resid 10 and name HN  ) (resid  9 and name HB# ) 2.7 0.9 1.0
assign (resid 12 and name HN  ) (resid 11 and name HA  ) 2.7 0.9 0.0
assign (resid 12 and name HN  ) (resid 11 and name HB# ) 3.3 1.5 1.0
assign (resid 12 and name HN  ) (resid 11 and name HG# ) 5.0 3.2 l.0
assign (resid 12 and name HN  ) (resid 13 and name HN  ) 2.7 0.9 0.0
assign (resid 13 and name HN  ) (resid 12 and name HA# ) 3.3 1.5 1.0
assign (resid 14 and name HN  ) (resid 13 and name HA  ) 3.3 l.5 0.0
assign (resid 14 and name HN  ) (resid 13 and name HB# ) 3.3 1.5 l.0
assign (resid 14 and name HN  ) (resid 13 and name HD# ) 5.0 3.2 l.0
assign (resid 14 and name HN  ) (resid 13 and name HG# ) 5.0 3.2 l.0

assign (resid 14 and name HN  ) (resid 13 and name HN  ) 2.7 0.9 0.0
assign (resid 16 and name HN  ) (resid 15 and name HA  ) 5.0 3.2 0.0
assign (resid 16 and name HN  ) (resid 15 and name HB# ) 5.0 3.2 l.0
assign (resid 16 and name HN  ) (resid 15 and name HG# ) 5.0 3.2 1.0
assign (resid 17 and name HA  ) (resid 18 and name HD# ) 3.3 l.5 l.0
assign (resid 17 and name HN  ) (resid 16 and name HB# ) 5.0 3.2 l.0
assign (resid 17 and name HN  ) (resid 16 and name HN  ) 5.0 3.2 0.0
assign (resid 17 and name HN  ) (resid 18 and name HD# ) 5.0 3.2 l.0
assign (resid 18 and name HD# ) (resid 17 and name HB# ) 2.7 0.9 2.0
assign (resid 19 and name HN  ) (resid 18 and name HB# ) 3.3 1.5 l.0

assign (resid 19 and name HN  ) (resid 18 and name HG# ) 5.0 3.2 l.0
assign (resid 19 and name HN  ) (resid 20 and name HN  ) 2.7 0.9 0.0
assign (resid 20 and name HH# ) (resid 19 and name HB# ) 3.3 l.5 3.4
assign (resid 20 and name HN  ) (resid 19 and name HA  ) 3.3 l.5 0.0
assign (resid 20 and name HN  ) (resid 19 and name HB# ) 5.0 3.2 l.0
assign (resid 21 and name HN  ) (resid 20 and name HB# ) 2.7 0.9 l.0
assign (resid 21 and name HN  ) (resid 22 and name HN  ) 5.0 3.2 0.0
assign (resid 22 and name HN  ) (resid 21 and name HB  ) 2.7 0.9 0.0
assign (resid 22 and name HN  ) (resid 21 and name HG# ) 5.0 3.2 2.4
assign (resid 22 and name HN  ) (resid 23 and name HN  ) 5.0 3.2 0.0

assign (resid 23 and nanie HN ) (resid 22 and name HA  ) 2.7 0.9 0.0
assign (resid 23 and name HN  ) (resid 22 and name HB# ) 5.0 3.2 l.0
assign (resid 24 and name HN  ) (resid 23 and name HA  ) 2.7 0.9 0.0
assign (resid 24 and name HN  ) (resid 23 and name HB# ) 5.0 3.2 1.0
assign (resid 24 and name HN  ) (resid 23 and name HN  ) 5.0 3.2 0.0
assign (resid 24 and name HN  ) (resid 25 and name HN  ) 2.7 0.9 0.0
assign (resid 25 and name HN  ) (resid 24 and name HA  ) 5.0 3.2 0.0
assign (resid 25 and name HN  ) (resid 24 and name HB# ) 3.3 l.5 l.0
assign (resid 25 and name HN  ) (resid 26 and name HN  ) 2.7 0.9 0.0
assign (resid 26 and name HN  ) (resid 25 and name HA  ) 5.0 3.2 0.0

assign (resid 26 and name HN  ) (resid 25 and name HB# ) 3.3 l.5 1.0
assign (resid 26 and name HN  ) (resid 27 and name HA  ) 5.0 3.2 0.0
assign (resid 27 and name HN  ) (resid 26 and name HA  ) 5.0 3.2 0.0
assign (resid 27 and name HN  ) (resid 26 and name HN  ) 2.7 0.9 0.0
assign (resid 27 and name HN  ) (resid 28 and name HN  ) 5.0 3.2 0.0
assign (resid 28 and name HN  ) (resid 27 and name HA  ) 3.3 l.5 0.0
assign (resid 29 and name AN  ) (resid 28 and name HA  ) 5.0 3.2 0.0
assign (resid 29 and name HN  ) (resid 28 and name HB# ) 2.7 0.9 l.0
assign (resid 29 and name HN  ) (resid 28 and name HD1 ) 5.0 3.2 0.0
assign (resid 30 and name HN  ) (resid 29 and name HB# ) 5.0 3.2 l.0

assign (resid 30 and name HN  ) (resid 29 and name HN  ) 5.0 3.2 0.0
assign (resid 31 and name HD1 ) (resid 30 and name HA  ) 5.0 3.2 0.0
assign (resid 31 and name HN  ) (resid 30 and name HB# ) 3.3 l.5 l.0
assign (resid 31 and name gy  ) (resid 30 and name HD# ) 3.3 l.5 1.0
assign (resid 31 and name HN  ) (resid 32 and name HG# ) 5.0 3.2 l.0
assign (resid 32 and name HN  ) (resid 31 and name HA  ) 2.7 0.9 0.0
assign (resid 32 and name HN  ) (resid 31 and name HB# ) 2.7 0.9 l.0
assign (resid 32 and name HN  ) (resid 31 and name HE3 ) 2.7 0.9 0.0
assign (resid 32 and name HN  ) (resid 33 and name HN  ) 3.3 l.5 0.0
assign (resid 33 and name HN  ) (resid 32 and name HA  ) 3.3 l.5 0.0

assign (resid 33 and name AN  ) (resid 32 and name HB# ) 3.3 l.5 l.0
assign (resid 33 and name HN  ) (resid 32 and name HG# ) 3.3 l.5 l.0
! 129 intra-residues NOE constraints
! Cys-2
assign (resid  2 and name HA  ) (resid  2 and name HB# ) 2.7 0.9 1.0
assign (resid  2 and name HN  ) (resid  2 and name HB# ) 3.3 l.5 1.0
! Lys-3
assign (resid  3 and name HA  ) (resid  3 and name HB# ) 2.7 0.9 1.0
assign (resid  3 and name HA  ) (resid  3 and name HG# ) 3.3 1.5 l.0
assign (resid  3 and name HN  ) (resid  3 and name HA  ) 3.3 1.5 0.0
assign (resid  3 and name HN  ) (resid  3 and name HB# ) 3.3 l.5 1.0
assign (resid  3 and name HN  ) (resid  3 and name HG# ) 3.3 1.5 l.0
! Gly-4
assign (resid  4 and name HN  ) (resid  4 and name HA# ) 2.7 0.9 1.0
! Val-5
assign (resid  5 and name HA  ) (resid  5 and name HB  ) 3.3 1.5 0.0
assign (resid  5 and name HA  ) (resid  5 and name HG# ) 3.3 1.5 2.4
assign (resid  5 and name HB  ) (resid  5 and name HG# ) 3.3 1.5 2.4
assign (resid  5 and name HN  ) (resid  5 and name HA  ) 3.3 1.5 0.0
assign (resid  5 and name HN  ) (resid  5 and name HB  ) 3.3 1.5 0.0
! Phe-6
assign (resid  6 and name HD# ) (resid  6 and name HA  ) 2.7 0.9 2.4
assign (resid  6 and name HD# ) (resid  6 and name HB# ) 2.7 0.9 3.4
assign (resid  6 and name HA  ) (resid  6 and name HB# ) 3.3 l.5 1.0
assign (resid  6 and name HN  ) (resid  6 and name HA  ) 5.0 3.2 0.0
assign (resid  6 and name HN  ) (resid  6 and name HB# ) 3.3 1.5 l.0
assign (resid  6 and name HD# ) (resid  6 and name HN  ) 5.0 3.2 2.4
! Asp-7 -
assign (resid  7 and name HA  ) (resid  7 and name HB# ) 2.7 0.9 l.0
assign (resid  7 and name HN  ) (resid  7 and name HA  ) 5.0 3.2 0.0
assign (resid  7 and name AN  ) (resid  7 and name HB# ) 2.7 0.9 1.0
! Ala-8
assign (resid  8 and name HA  ) (resid  8 and name HB# ) 2.7 0.9 l.0
assign (resid  8 and name HN  ) (resid  8 and name HB# ) 2.7 0.9 l.0
! CyS-9
assign (resid  9 and name HA  ) (resid  9 and name HB# ) 3.3 l.5 1.0
assign (resid  9 and name HN  ) (resid  9 and name HB# ) 3.0 3.2 1.0
! Thr-10
assign (resid 10 and name HA  ) (resid 10 and name HB  ) 3.3 l.5 0.0
assign (resid 10 and name HA  ) (resid 10 and name HG2#) 3.3 l.5 l.0
assign (resid 10 and name HN  ) (resid 10 and name HB  ) 2.7 0.9 0.0
assign (resid 10 and name gy  ) (resid 10 and name HG2#) 5.0 3.2 1.0
assign (resid 10 and name HN  ) (resid 10 and name HA  ) 5.0 3.2 0.0
! Pro-11
assign (resid 11 and name HA  ) (resid 11 and name HB# ) 2.7 0.9 1.0
assign (resid 11 and name HA  ) (resid 11 and name HG# ) 5.0 3.2 l.0
assign (resid 11 and name HD# ) (resid 11 and name HB# ) 3.3 l.5 2.0
assign (resid 11 and name HD# ) (resid 11 and name HG# ) 2.7 0.9 2.0
! Gly-12
assign (resid 12 and name HN  ) (resid 12 and name HA# ) 2.7 0.9 l.0
! Lys-13
assign (resid 13 and name HA  ) (resid 13 and name HB# ) 2.7 0.9 l.0
assign (resid 13 and name HA  ) (resid 13 and name HG# ) 3.3 1.5 l.0
assign (resid 13 and name HA  ) (resid 13 and name HD# ) 2.7 0.9 1.0
assign (resid 13 and name HN  ) (resid 13 and name HA  ) 3.3 1.5 0.0
assign (resid 13 and name HN  ) (resid 13 and name HB# ) 2.7 0.9 1.0
assign (resid 13 and name HN  ) (resid 13 and name HG# ) 3.3 l.5 l.0
assign (resid 13 and name HN  ) (resid 13 and name HD# ) 5.0 3.2 1.0
!Asn-14
assign (resid 14 and name HA  ) (resid 14 and name HB# ) 2.7 0.9 l.0
assign (resid 14 and name HN  ) (resid 14 and name HA  ) 3.3 l.5 0.0
assign (resid 14 and name HN  ) (resid 14 and name HB# ) 2.7 0.9 l.0
! Glu-15
assign (resid 15 and name HA  ) (resid 15 and name HG# ) 2.7 0.9 l.0
assign (resid 15 and name HA  ) (resid 15 and name HB# ) 2.7 0.9 1.0
assign (resid 15 and name HN  ) (resid 15 and name HA  ) 3.3 1.5 0.0
assign (resid 15 and name HN  ) (resid 15 and name HG# ) 2.7 0.9 l.0
assign (resid 15 and name HN  ) (resid 15 and name HB# ) 5.0 3.2 l.0
! Cys-16
assign (resid 16 and name HA  ) (resid 16 and name HB# ) 2.7 0.9 l.0
assign (resid 16 and name HN  ) (resid 16 and name HA  ) 5.0 3.2 0.0
assign (resid 16 and name HN  ) (resid 16 and name HB# ) 3.3 l.5 l.0
! Cys-17
assign (resid 17 and name HA  ) (resid 17 and name HB# ) 2.7 0.9 1.0
assign (resid 17 and name HN  ) (resid 17 and name HB# ) 3.3 l.5 0.0
assign (resid 17 and name gy  ) (resid 17 and name HB# ) 3.3 l.5 1.0
! Pro-18
assign (resid 18 and name HA  ) (resid 18 and name HB# ) 2.7 0.9 l.0
assign (resid 18 and name HA  ) (resid 18 and name HG# ) 3.3 l.5 l.0
assign (resid 18 and name HD# ) (resid 18 and name HG# ) 2.7 0.9 2.0
assign (resid 18 and name HD# ) (resid 18 and name HB# ) 3.3 l.5 2.0
! Asn-19
assign (resid 19 and name HA  ) (resid 19 and name HB# ) 2.7 0.9 l.0
assign (resid 19 and name HN  ) (resid 19 and name HA  ) 5.0 3.2 0.0
! Arg-20
assign (resid 20 and name HA  ) (resid 20 and name HB# ) 3.3 l.5 l.0
assign (resid 20 and name HB# ) (resid 20 and name HG# ) 3.3 l.5 2.0
assign (resid 20 and name HG# ) (resid 20 and name HD# ) 3.3 l.5 2.0
assign (resid 20 and name HN  ) (resid 20 and name HB# ) 2.7 0.9 l.0
assign (resid 20 and name HN  ) (resid 20 and name HG# ) 3.3 l.5 l.0
! Val-21
assign (resid 21 and name HA  ) (resid 21 and name HB  ) 2.7 0.9 0.0
assign (resid 21 and name HA  ) (resid 21 and name HG# ) 3.3 1.5 2.4
assign (resid 21 and name HB  ) (resid 21 and name HG# ) 2.7 0.9 2.4
assign (resid 21 and name HN  ) (resid 21 and name HB  ) 5.0 3.2 0.0
assign (resid 21 and name HN  ) (resid 21 and name HG# ) 3.3 l.5 2.4
! CyS-22
assign (resid 22 and name HA  ) (resid 22 and name HB# ) 2.7 0.9 l.0
assign (resid 22 and name HN  ) (resid 22 and name HA  ) 5.0 3.2 0.0
assign (resid 22 and name HN  ) (resid 22 and name HB# ) 2.7 0.9 1.0
! Ser-23
assign (resid 23 and name HA  ) (resid 23 and name HB# ) 2.7 0.9 l.0
assign (resid 23 and name HN  ) (resid 23 and name HA  ) 3.3 l.5 0.0
assign (resid 23 and name HN  ) (resid 23 and name HB# ) 2.7 0.9 l.0
! Asp-24 
assign (resid 24 and name HA  ) (resid 24 and name HB# ) 2.7 0.9 l.0
assign (resid 24 and name HN  ) (resid 24 and name HA  ) 3.3 l.5 0.0
assign (resid 24 and name HN  ) (resid 24 and name HB# ) 2.7 0.9 l.0
! Lys-25
assign (resid 25 and name HA  ) (resid 25 and name HB# ) 2.7 0.9 l.0
assign (resid 25 and name HA  ) (resid 25 and name HG# ) 3.3 l.5 1.0
assign (resid 25 and name HN  ) (resid 25 and name HA  ) 5.0 3.2 0.0
assign (resid 25 and name HN  ) (resid 25 and name HB# ) 2.7 0.9 1.0
assign (resid 25 and name HN  ) (resid 25 and name HG# ) 5.0 3.2 1.0
! His-26
assign (resid 26 and name HA  ) (resid 26 and name HB# ) 2.7 0.9 l.0
assign (resid 26 and name HN  ) (resid 26 and name HA  ) 3.3 15 0.0
assign (resid 26 and name HN  ) (resid 26 and name HB# ) 3.3 l.5 l.0
! Lys-27
assign (resid 27 and name HA  ) (resid 27 and name HB# ) 2.7 0.9 l.0
assign (resid 27 and name HB# ) (resid 27 and name HG# ) 3.3 1.5 2.0
assign (resid 27 and name HN  ) (resid 27 and name HA  ) 5.0 3.2 0.0
assign (resid 27 and name HN  ) (resid 27 and name HB# ) 3.3 l.5 l.0
assign (resid 27 and name HN  ) (resid 27 and name HD# ) 5.0 3.2 l.0
assign (resid 27 and name HN  ) (resid 27 and name HG# ) 3.3 l.5 l.0
! Trp-28 .
assign (resid 28 and name HE3 ) (resid 28 and name HB# ) 3.3 l.5 l.0
assign (resid 28 and name HD1 ) (resid 28 and name HA  ) 5.0 3.2 0.0
assjgn (resid 28 and name HD1 ) (resid 28 and name HB# ) 5.0 3.2 l.0
assign (resid 28 and name As  ) (resid 28 and name HB# ) 2.7 0.9 l.0
assign (resid 28 and name HN  ) (resid 28 and name HA  ) 5.0 3.2 0.0
assign (resid 28 and name HE1 ) (resid 28 and name HN  ) 5.0 3.2 0.0
! Cys-29
assign (resid 29 and name HA  ) (resid 29 and name HB# ) 3.3 1.5 l.0
assign (resid 29 and name HN  ) (resid 29 and name HB# ) 2.7 0.9 l.0
! Lys-30
assign (resid 30 and name HA  ) (resid 30 and name HB# ) 2.7 0.9 1.0
assign (resid 30 and name HN  ) (resid 30 and name HA  ) 5.0 3.2 0.0
assign (rbsid 30 and name HN  ) (resid 30 and name HB# ) 5.0 3.2 l.0
assign (resid 30 and name HN  ) (resid 30 and name HD# ) 5.0 3.2 l.0
assign (resid 30 and name HN  ) (resid 30 and name HG# ) 5.0 3.2 1.0
! Trp-31
assign (resid 31 and name HE3 ) (resid 31 and name HA  ) 3.3 l.5 0.0
assign (resid 31 and name HE3 ) (resid 31 and name HB# ) 3.3 l.5 l.0
assign (resid 31 and name HD1 ) (resid 31 and name HB# ) 3.3 l.5 l.0
assign (resid 31 and name HD1 ) (resid 31 and name HA  ) 5.0 3.2 0.0
assign (resid 31 and name HA  ) (resid 31 and name HB# ) 2.7 0.9 l.0
assign (resid 31 and name HE1 ) (resid 31 and name HB# ) 5.0 3.2 l.0
assign (resid 31 and name HN  ) (resid 31 and name HA  ) 3.3 l.5 0.0
assign (resid 31 and name HN  ) (resid 31 and name HB# ) 2.7 0.9 l.0
assign (resid 31 and name HN  ) (resid 31 and name HE3 ) 5.0 3.2 0.0
assign (resid 31 and name HN  ) (resid 31 and name HD1 ) 3.3 l.5 0.0
! Lys-32
assign (resid 32 and name HA  ) (resid 32 and name HB# ) 3.3 1.5 1.0
assign (resid 32 and name HA  ) (resid 32 and name HG# ) 3.3 l.5 l.0
assign (resid 32 and name HN  ) (resid 32 and name HA  ) 3.3 l.5 0.0
assign (resid 32 and name HN  ) (resid 32 and name HB# ) 2.7 0.9 l.0
assign (resid 32 and name HN  ) (resid 32 and name HG# ) 3.3 1.5 1.0
! Leu-33 
assign (resid 33 and name HA  ) (resid 33 and name HB# ) 3.3 l.5 l.0
assign (resid 33 and name HA  ) (resid 33 and name HG# ) 5.0 3.2 2.4
assign (resid 33 and name HN  ) (resid 33 and name HA  ) 3.3 l.5 0.0
assign (resid 33 and name HN  ) (resid 33 and name HB# ) 5.0 3.2 l.0


! 9 disulphide bonds fake NOE
assign (resid  2 and name SG  ) (resid 17 and name SG  ) 2.02 0.02 0.02
assign (resid  9 and name SG  ) (resid 22 and name SG  ) 2.02 0.02 0.02
assign (resid 16 and name SG  ) (resid 29 and name SG  ) 2.02 0.02 0.02
assign (resid  2 and name SG  ) (resid l7 and name CB  ) 2.99 0.5  0.5
assign (resid  9 and name SG  ) (resid 22 and name CB  ) 2.99 0.5  0.5
assign (resid 16 and name SG  ) (resid 29 and name CB  ) 2.99 0.5  0.5
assign (resid 17 and name SG  ) (resid  2 and name CB  ) 2.99 0.5  0.5
assign (resid 22 and name SG  ) (resid  9 and name CB  ) 2.99 0.5  0.5
assign (resid 29 and name SG  ) (resid 16 and name CB  ) 2.99 0.5  0.5




  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HA   ALA   1           HA       ALA   1  -2.068  14.158  -1.328
    2   1HB   ALA   1           HB1      ALA   1   0.244  13.393  -1.773
    3   2HB   ALA   1           HB2      ALA   1   0.528  13.257  -0.038
    4   3HB   ALA   1           HB3      ALA   1   0.232  14.838  -0.761
    5    H1   ALA   1           HT1      ALA   1  -1.316  13.673   1.505
    6    H2   ALA   1           HT2      ALA   1  -2.897  13.968   0.957
    7    H3   ALA   1           HT3      ALA   1  -1.705  15.169   0.805
    8    H    CYS   2           HN       CYS   2  -0.729  11.671   0.899
    9    HA   CYS   2           HA       CYS   2  -2.470   9.660  -0.470
   10   1HB   CYS   2           HB1      CYS   2  -0.091   9.480  -1.234
   11   2HB   CYS   2           HB2      CYS   2  -0.656   8.035  -0.394
   12    H    LYS   3           HN       LYS   3  -2.420   7.528   0.963
   13    HA   LYS   3           HA       LYS   3  -3.392   8.292   3.609
   14   2HB   LYS   3           HB1      LYS   3  -3.765   5.853   3.906
   15   1HB   LYS   3           HB2      LYS   3  -2.934   5.555   2.380
   16   2HG   LYS   3           HG1      LYS   3  -4.661   7.166   1.334
   17   1HG   LYS   3           HG2      LYS   3  -5.565   6.979   2.837
   18   2HD   LYS   3           HD1      LYS   3  -6.012   4.728   2.442
   19   1HD   LYS   3           HD2      LYS   3  -4.602   4.525   1.402
   20   2HE   LYS   3           HE1      LYS   3  -6.128   6.435   0.069
   21   1HE   LYS   3           HE2      LYS   3  -7.332   5.314   0.704
   22   1HZ   LYS   3           HZ1      LYS   3  -6.100   3.484  -0.281
   23   2HZ   LYS   3           HZ2      LYS   3  -4.942   4.566  -0.894
   24   3HZ   LYS   3           HZ3      LYS   3  -6.542   4.615  -1.465
   25    H    GLY   4           HN       GLY   4  -2.578   6.631   5.455
   26   2HA   GLY   4           HA1      GLY   4  -0.798   6.525   7.023
   27   1HA   GLY   4           HA2      GLY   4   0.268   7.258   5.825
   28    H    VAL   5           HN       VAL   5   0.986   5.007   7.391
   29    HA   VAL   5           HA       VAL   5   1.553   3.056   5.240
   30    HB   VAL   5           HB       VAL   5   2.582   2.839   8.065
   31   1HG1  VAL   5          HG11      VAL   5   3.426   1.942   5.320
   32   2HG1  VAL   5          HG12      VAL   5   3.254   0.990   6.795
   33   3HG1  VAL   5          HG13      VAL   5   4.622   2.087   6.610
   34   1HG2  VAL   5          HG21      VAL   5   4.587   4.190   7.063
   35   2HG2  VAL   5          HG22      VAL   5   3.182   5.078   7.651
   36   3HG2  VAL   5          HG23      VAL   5   3.389   4.801   5.922
   37    H    PHE   6           HN       PHE   6   1.393   0.700   5.784
   38    HA   PHE   6           HA       PHE   6   0.103  -1.162   6.352
   39   2HB   PHE   6           HB1      PHE   6  -1.109  -0.489   8.787
   40   1HB   PHE   6           HB2      PHE   6   0.404   0.416   8.782
   41    HD1  PHE   6           HD1      PHE   6   2.562  -0.853   8.192
   42    HD2  PHE   6           HD2      PHE   6  -1.124  -2.813   9.205
   43    HE1  PHE   6           HE1      PHE   6   3.808  -2.937   8.693
   44    HE2  PHE   6           HE2      PHE   6   0.123  -4.897   9.707
   45    HZ   PHE   6           HZ       PHE   6   2.589  -4.958   9.452
   46    H    ASP   7           HN       ASP   7  -1.122   0.914   4.745
   47    HA   ASP   7           HA       ASP   7  -3.960   0.873   5.655
   48   2HB   ASP   7           HB1      ASP   7  -2.711   2.415   3.356
   49   1HB   ASP   7           HB2      ASP   7  -2.938   3.066   4.979
   50    H    ALA   8           HN       ALA   8  -5.260  -0.660   4.775
   51    HA   ALA   8           HA       ALA   8  -4.414  -2.511   2.778
   52   1HB   ALA   8           HB1      ALA   8  -6.229  -3.046   4.328
   53   2HB   ALA   8           HB2      ALA   8  -6.818  -3.165   2.670
   54   3HB   ALA   8           HB3      ALA   8  -7.220  -1.755   3.649
   55    H    CYS   9           HN       CYS   9  -3.959  -1.964   0.711
   56    HA   CYS   9           HA       CYS   9  -5.880  -0.197  -0.744
   57   2HB   CYS   9           HB1      CYS   9  -3.983   1.213  -0.258
   58   1HB   CYS   9           HB2      CYS   9  -3.879   0.762  -1.959
   59    H    THR  10           HN       THR  10  -5.630  -0.439  -3.161
   60    HA   THR  10           HA       THR  10  -5.330  -3.303  -3.827
   61    HB   THR  10           HB       THR  10  -6.276  -0.974  -5.534
   62    HG1  THR  10           HG1      THR  10  -7.952  -1.194  -4.293
   63   1HG2  THR  10          HG21      THR  10  -6.414  -3.975  -5.939
   64   2HG2  THR  10          HG22      THR  10  -5.475  -2.831  -6.897
   65   3HG2  THR  10          HG23      THR  10  -7.237  -2.788  -6.951
   66    HA   PRO  11           HA       PRO  11  -1.280  -2.512  -5.472
   67   2HB   PRO  11           HB1      PRO  11  -0.705  -4.629  -4.755
   68   1HB   PRO  11           HB2      PRO  11  -0.883  -5.048  -6.468
   69   1HG   PRO  11           HG1      PRO  11  -2.356  -6.212  -4.426
   70   2HG   PRO  11           HG2      PRO  11  -2.912  -6.113  -6.105
   71   1HD   PRO  11           HD2      PRO  11  -4.646  -4.821  -5.325
   72   2HD   PRO  11           HD1      PRO  11  -3.879  -4.643  -3.732
   73    H    GLY  12           HN       GLY  12  -0.613  -1.762  -7.454
   74   2HA   GLY  12           HA1      GLY  12  -1.958  -2.731  -9.919
   75   1HA   GLY  12           HA2      GLY  12  -0.477  -1.775  -9.865
   76    H    LYS  13           HN       LYS  13  -2.985  -0.697  -7.748
   77    HA   LYS  13           HA       LYS  13  -4.137   1.166  -9.729
   78   2HB   LYS  13           HB1      LYS  13  -5.375   1.907  -7.498
   79   1HB   LYS  13           HB2      LYS  13  -4.805   0.338  -6.931
   80   2HG   LYS  13           HG1      LYS  13  -6.424  -0.706  -8.099
   81   1HG   LYS  13           HG2      LYS  13  -5.883   0.063  -9.592
   82   2HD   LYS  13           HD1      LYS  13  -7.177   2.108  -8.939
   83   1HD   LYS  13           HD2      LYS  13  -7.796   1.225  -7.542
   84   2HE   LYS  13           HE1      LYS  13  -8.833  -0.431  -9.009
   85   1HE   LYS  13           HE2      LYS  13  -8.134   0.349 -10.428
   86   1HZ   LYS  13           HZ1      LYS  13 -10.058   1.605  -8.545
   87   2HZ   LYS  13           HZ2      LYS  13 -10.437   1.006 -10.089
   88   3HZ   LYS  13           HZ3      LYS  13  -9.397   2.339  -9.924
   89    H    ASN  14           HN       ASN  14  -1.633   1.139  -7.396
   90    HA   ASN  14           HA       ASN  14  -0.213   2.796  -6.565
   91   2HB   ASN  14           HB1      ASN  14   0.036   4.829  -8.060
   92   1HB   ASN  14           HB2      ASN  14  -1.256   4.166  -9.062
   93   1HD2  ASN  14          HD21      ASN  14   2.044   3.469  -7.841
   94   2HD2  ASN  14          HD22      ASN  14   2.437   2.365  -9.069
   95    H    GLU  15           HN       GLU  15  -2.619   2.662  -5.227
   96    HA   GLU  15           HA       GLU  15  -3.816   5.338  -5.019
   97   2HB   GLU  15           HB1      GLU  15  -4.848   4.070  -2.902
   98   1HB   GLU  15           HB2      GLU  15  -4.297   2.653  -3.796
   99   2HG   GLU  15           HG1      GLU  15  -5.664   3.166  -5.663
  100   1HG   GLU  15           HG2      GLU  15  -5.912   4.829  -5.132
  101    H    CYS  16           HN       CYS  16  -1.573   3.309  -3.157
  102    HA   CYS  16           HA       CYS  16  -1.372   5.145  -0.914
  103   2HB   CYS  16           HB1      CYS  16   0.859   3.266  -1.523
  104   1HB   CYS  16           HB2      CYS  16  -0.723   2.550  -1.221
  105    H    CYS  17           HN       CYS  17   1.069   5.835  -0.360
  106    HA   CYS  17           HA       CYS  17   1.801   7.888  -2.228
  107   2HB   CYS  17           HB1      CYS  17   4.042   7.410  -0.604
  108   1HB   CYS  17           HB2      CYS  17   2.659   6.962   0.394
  109    HA   PRO  18           HA       PRO  18   4.632   5.858  -4.914
  110   2HB   PRO  18           HB1      PRO  18   4.999   7.874  -5.957
  111   1HB   PRO  18           HB2      PRO  18   6.598   7.764  -5.200
  112   1HG   PRO  18           HG1      PRO  18   4.823   9.841  -4.754
  113   2HG   PRO  18           HG2      PRO  18   6.064   9.348  -3.590
  114   1HD   PRO  18           HD2      PRO  18   4.332   8.865  -2.157
  115   2HD   PRO  18           HD1      PRO  18   3.130   8.991  -3.459
  116    H    ASN  19           HN       ASN  19   6.063   7.209  -1.953
  117    HA   ASN  19           HA       ASN  19   8.533   5.701  -2.142
  118   2HB   ASN  19           HB1      ASN  19   8.872   6.390   0.209
  119   1HB   ASN  19           HB2      ASN  19   7.216   6.995   0.263
  120   1HD2  ASN  19          HD21      ASN  19   6.759   9.017  -0.822
  121   2HD2  ASN  19          HD22      ASN  19   7.985   9.992  -1.475
  122    H    ARG  20           HN       ARG  20   5.338   5.014  -1.020
  123    HA   ARG  20           HA       ARG  20   6.268   2.481   0.259
  124   2HB   ARG  20           HB1      ARG  20   3.871   2.426   1.141
  125   1HB   ARG  20           HB2      ARG  20   3.701   4.067   0.517
  126   1HG   ARG  20           HG1      ARG  20   6.122   3.559   2.157
  127   2HG   ARG  20           HG2      ARG  20   4.588   3.498   3.025
  128   2HD   ARG  20           HD1      ARG  20   4.331   5.739   1.390
  129   1HD   ARG  20           HD2      ARG  20   6.010   5.804   1.925
  130    HE   ARG  20           HE       ARG  20   4.996   5.528   4.295
  131   1HH1  ARG  20          HH11      ARG  20   2.155   5.455   3.641
  132   2HH1  ARG  20          HH12      ARG  20   1.673   7.117   3.719
  133   1HH2  ARG  20          HH21      ARG  20   4.921   8.342   3.528
  134   2HH2  ARG  20          HH22      ARG  20   3.244   8.757   3.655
  135    H    VAL  21           HN       VAL  21   4.696   0.585  -0.140
  136    HA   VAL  21           HA       VAL  21   3.496   0.695  -2.869
  137    HB   VAL  21           HB       VAL  21   4.480  -1.606  -3.288
  138   1HG1  VAL  21          HG11      VAL  21   6.612  -0.726  -4.043
  139   2HG1  VAL  21          HG12      VAL  21   6.506   0.617  -2.905
  140   3HG1  VAL  21          HG13      VAL  21   5.385   0.521  -4.262
  141   1HG2  VAL  21          HG21      VAL  21   6.291  -0.816  -0.980
  142   2HG2  VAL  21          HG22      VAL  21   6.422  -2.273  -1.964
  143   3HG2  VAL  21          HG23      VAL  21   5.042  -2.058  -0.888
  144    H    CYS  22           HN       CYS  22   1.858  -0.919  -3.237
  145    HA   CYS  22           HA       CYS  22   0.430  -1.691  -0.782
  146   2HB   CYS  22           HB1      CYS  22  -1.267  -2.577  -2.474
  147   1HB   CYS  22           HB2      CYS  22  -0.223  -1.914  -3.732
  148    H    SER  23           HN       SER  23   1.145  -3.517   0.214
  149    HA   SER  23           HA       SER  23   2.594  -5.620  -1.126
  150   2HB   SER  23           HB1      SER  23   1.164  -5.891   1.525
  151   1HB   SER  23           HB2      SER  23   2.676  -5.004   1.363
  152    HG   SER  23           HG       SER  23   3.723  -6.818   0.768
  153    H    ASP  24           HN       ASP  24   1.896  -7.660  -1.794
  154    HA   ASP  24           HA       ASP  24  -1.020  -7.918  -2.278
  155   2HB   ASP  24           HB1      ASP  24   0.884  -9.993  -3.249
  156   1HB   ASP  24           HB2      ASP  24   1.055  -8.381  -3.944
  157    H    LYS  25           HN       LYS  25   1.674  -9.757  -0.815
  158    HA   LYS  25           HA       LYS  25   0.034 -11.945   0.117
  159   2HB   LYS  25           HB1      LYS  25   1.999 -12.430   1.605
  160   1HB   LYS  25           HB2      LYS  25   2.737 -10.926   1.051
  161   2HG   LYS  25           HG1      LYS  25   1.996 -12.201  -1.311
  162   1HG   LYS  25           HG2      LYS  25   2.565 -13.522  -0.290
  163   2HD   LYS  25           HD1      LYS  25   4.600 -12.039   0.216
  164   1HD   LYS  25           HD2      LYS  25   4.060 -11.028  -1.126
  165   2HE   LYS  25           HE1      LYS  25   4.480 -12.683  -2.712
  166   1HE   LYS  25           HE2      LYS  25   4.313 -13.991  -1.541
  167   1HZ   LYS  25           HZ1      LYS  25   6.550 -12.037  -1.606
  168   2HZ   LYS  25           HZ2      LYS  25   6.623 -13.626  -2.202
  169   3HZ   LYS  25           HZ3      LYS  25   6.396 -13.349  -0.541
  170    H    HIS  26           HN       HIS  26   1.115  -8.890   1.570
  171    HA   HIS  26           HA       HIS  26  -0.297  -9.491   4.096
  172   2HB   HIS  26           HB1      HIS  26   0.602  -7.295   4.814
  173   1HB   HIS  26           HB2      HIS  26   1.261  -7.048   3.198
  174    HD1  HIS  26           HD1      HIS  26   1.602  -9.357   6.191
  175    HD2  HIS  26           HD2      HIS  26   3.685  -8.373   2.718
  176    HE1  HIS  26           HE1      HIS  26   3.849 -10.514   6.350
  177    H    LYS  27           HN       LYS  27  -0.725  -7.614   1.162
  178    HA   LYS  27           HA       LYS  27  -2.613  -6.557   0.298
  179   2HB   LYS  27           HB1      LYS  27  -4.430  -7.036   2.546
  180   1HB   LYS  27           HB2      LYS  27  -3.655  -8.508   1.959
  181   2HG   LYS  27           HG1      LYS  27  -4.628  -8.346  -0.134
  182   1HG   LYS  27           HG2      LYS  27  -4.738  -6.587  -0.064
  183   2HD   LYS  27           HD1      LYS  27  -6.608  -6.696   1.455
  184   1HD   LYS  27           HD2      LYS  27  -6.403  -8.435   1.670
  185   2HE   LYS  27           HE1      LYS  27  -8.125  -8.372   0.098
  186   1HE   LYS  27           HE2      LYS  27  -6.712  -8.490  -0.950
  187   1HZ   LYS  27           HZ1      LYS  27  -8.087  -5.972  -0.179
  188   2HZ   LYS  27           HZ2      LYS  27  -8.213  -6.748  -1.685
  189   3HZ   LYS  27           HZ3      LYS  27  -6.729  -6.087  -1.189
  190    H    TRP  28           HN       TRP  28  -0.737  -5.174   2.214
  191    HA   TRP  28           HA       TRP  28  -2.521  -2.860   2.697
  192   1HB   TRP  28           HB1      TRP  28  -2.454  -4.065   4.857
  193   2HB   TRP  28           HB2      TRP  28  -1.710  -2.477   4.964
  194    HD1  TRP  28           HD1      TRP  28   1.175  -2.823   4.178
  195    HE1  TRP  28           HE1      TRP  28   2.788  -4.374   5.449
  196    HE3  TRP  28           HE3      TRP  28  -2.188  -5.946   6.412
  197    HZ2  TRP  28           HZ2      TRP  28   2.671  -6.639   7.189
  198    HZ3  TRP  28           HZ3      TRP  28  -1.410  -7.788   7.874
  199    HH2  TRP  28           HH2      TRP  28   1.012  -8.139   8.265
  200    H    CYS  29           HN       CYS  29  -1.233  -0.855   3.198
  201    HA   CYS  29           HA       CYS  29   0.970  -0.621   1.306
  202   2HB   CYS  29           HB1      CYS  29   0.186   1.479   3.326
  203   1HB   CYS  29           HB2      CYS  29  -0.825   1.152   1.919
  204    H    LYS  30           HN       LYS  30   3.168  -0.284   1.795
  205    HA   LYS  30           HA       LYS  30   4.059  -0.055   4.574
  206   2HB   LYS  30           HB1      LYS  30   3.695  -2.449   4.517
  207   1HB   LYS  30           HB2      LYS  30   5.431  -2.151   4.483
  208   2HG   LYS  30           HG1      LYS  30   4.834  -2.154   1.807
  209   1HG   LYS  30           HG2      LYS  30   3.677  -3.334   2.419
  210   2HD   LYS  30           HD1      LYS  30   6.678  -3.370   2.880
  211   1HD   LYS  30           HD2      LYS  30   5.785  -4.443   1.805
  212   1HE   LYS  30           HE1      LYS  30   5.252  -4.244   4.784
  213   2HE   LYS  30           HE2      LYS  30   6.337  -5.435   4.071
  214   1HZ   LYS  30           HZ1      LYS  30   4.525  -6.298   2.765
  215   2HZ   LYS  30           HZ2      LYS  30   3.469  -5.110   3.366
  216   3HZ   LYS  30           HZ3      LYS  30   4.090  -6.302   4.404
  217    H    TRP  31           HN       TRP  31   6.586  -0.243   4.593
  218    HA   TRP  31           HA       TRP  31   7.585   1.595   2.563
  219   2HB   TRP  31           HB1      TRP  31   9.773   1.225   3.879
  220   1HB   TRP  31           HB2      TRP  31   8.797   0.262   4.989
  221    HD1  TRP  31           HD1      TRP  31   7.707   1.570   6.876
  222    HE1  TRP  31           HE1      TRP  31   7.090   4.038   7.295
  223    HE3  TRP  31           HE3      TRP  31   9.015   3.575   2.373
  224    HZ2  TRP  31           HZ2      TRP  31   7.148   6.538   5.899
  225    HZ3  TRP  31           HZ3      TRP  31   8.728   5.999   1.942
  226    HH2  TRP  31           HH2      TRP  31   7.796   7.481   3.696
  227    H    LYS  32           HN       LYS  32   9.566   1.147   1.316
  228    HA   LYS  32           HA       LYS  32   9.537  -1.610   0.237
  229   1HB   LYS  32           HB1      LYS  32  10.654  -0.708  -1.695
  230   2HB   LYS  32           HB2      LYS  32  11.024   0.792  -0.842
  231   2HG   LYS  32           HG1      LYS  32   8.575   1.236  -0.646
  232   1HG   LYS  32           HG2      LYS  32   8.262  -0.219  -1.592
  233   1HD   LYS  32           HD1      LYS  32  10.017   2.037  -2.593
  234   2HD   LYS  32           HD2      LYS  32   8.282   1.977  -2.900
  235   2HE   LYS  32           HE1      LYS  32   8.842  -0.481  -3.719
  236   1HE   LYS  32           HE2      LYS  32  10.459   0.189  -3.932
  237   1HZ   LYS  32           HZ1      LYS  32   9.451   1.988  -5.252
  238   2HZ   LYS  32           HZ2      LYS  32   7.943   1.215  -5.129
  239   3HZ   LYS  32           HZ3      LYS  32   9.224   0.459  -5.949
  240    H    LEU  33           HN       LEU  33  11.710   0.731   1.684
  241    HA   LEU  33           HA       LEU  33  13.509  -1.455   2.519
  242   2HB   LEU  33           HB1      LEU  33  14.879   0.891   1.276
  243   1HB   LEU  33           HB2      LEU  33  14.168  -0.303   0.190
  244    HG   LEU  33           HG       LEU  33  15.772  -1.345   2.479
  245   1HD1  LEU  33          HD11      LEU  33  16.411  -3.005   0.795
  246   2HD1  LEU  33          HD12      LEU  33  15.635  -2.052  -0.469
  247   3HD1  LEU  33          HD13      LEU  33  14.659  -2.803   0.793
  248   1HD2  LEU  33          HD21      LEU  33  17.043  -0.116   0.010
  249   2HD2  LEU  33          HD22      LEU  33  17.887  -0.979   1.296
  250   3HD2  LEU  33          HD23      LEU  33  17.120   0.573   1.631

  No H/Q in entry =         250
  Start of MODEL    2
    1    HA   ALA   1           HA       ALA   1  -0.445   6.824  10.757
    2   1HB   ALA   1           HB1      ALA   1  -2.646   5.278  12.164
    3   2HB   ALA   1           HB2      ALA   1  -1.416   6.262  12.957
    4   3HB   ALA   1           HB3      ALA   1  -0.949   4.804  12.084
    5    H1   ALA   1           HT1      ALA   1  -2.264   8.196   9.985
    6    H2   ALA   1           HT2      ALA   1  -2.202   8.210  11.682
    7    H3   ALA   1           HT3      ALA   1  -3.378   7.282  10.880
    8    H    CYS   2           HN       CYS   2   0.164   5.484   9.112
    9    HA   CYS   2           HA       CYS   2  -1.922   4.543   7.239
   10   2HB   CYS   2           HB1      CYS   2   0.045   5.668   6.303
   11   1HB   CYS   2           HB2      CYS   2   0.003   3.988   5.769
   12    H    LYS   3           HN       LYS   3  -1.489   2.266   6.261
   13    HA   LYS   3           HA       LYS   3  -1.599   0.328   8.438
   14   2HB   LYS   3           HB1      LYS   3  -1.695  -1.317   6.446
   15   1HB   LYS   3           HB2      LYS   3  -1.744   0.121   5.428
   16   2HG   LYS   3           HG1      LYS   3  -4.023  -0.449   5.822
   17   1HG   LYS   3           HG2      LYS   3  -3.693   0.902   6.905
   18   1HD   LYS   3           HD1      LYS   3  -2.988  -1.558   8.223
   19   2HD   LYS   3           HD2      LYS   3  -4.631  -1.691   7.594
   20   2HE   LYS   3           HE1      LYS   3  -5.234   0.426   8.699
   21   1HE   LYS   3           HE2      LYS   3  -3.585   0.590   9.303
   22   1HZ   LYS   3           HZ1      LYS   3  -5.446  -1.637   9.940
   23   2HZ   LYS   3           HZ2      LYS   3  -5.051  -0.349  10.975
   24   3HZ   LYS   3           HZ3      LYS   3  -3.861  -1.475  10.523
   25    H    GLY   4           HN       GLY   4  -0.308  -1.879   7.742
   26   2HA   GLY   4           HA1      GLY   4   1.877  -2.732   8.245
   27   1HA   GLY   4           HA2      GLY   4   2.546  -1.124   7.959
   28    H    VAL   5           HN       VAL   5   3.399  -3.725   6.827
   29    HA   VAL   5           HA       VAL   5   3.390  -2.915   3.978
   30    HB   VAL   5           HB       VAL   5   4.854  -5.339   4.965
   31   1HG1  VAL   5          HG11      VAL   5   5.305  -3.173   2.905
   32   2HG1  VAL   5          HG12      VAL   5   5.052  -4.897   2.631
   33   3HG1  VAL   5          HG13      VAL   5   6.560  -4.331   3.349
   34   1HG2  VAL   5          HG21      VAL   5   5.541  -3.874   6.687
   35   2HG2  VAL   5          HG22      VAL   5   5.486  -2.463   5.630
   36   3HG2  VAL   5          HG23      VAL   5   6.780  -3.647   5.452
   37    H    PHE   6           HN       PHE   6   2.959  -4.535   2.302
   38    HA   PHE   6           HA       PHE   6   1.512  -6.059   1.273
   39   2HB   PHE   6           HB1      PHE   6   1.171  -8.198   2.812
   40   1HB   PHE   6           HB2      PHE   6   2.455  -7.443   3.757
   41    HD1  PHE   6           HD1      PHE   6   4.680  -7.028   2.752
   42    HD2  PHE   6           HD2      PHE   6   1.581  -9.076   0.595
   43    HE1  PHE   6           HE1      PHE   6   6.355  -7.833   1.110
   44    HE2  PHE   6           HE2      PHE   6   3.256  -9.881  -1.046
   45    HZ   PHE   6           HZ       PHE   6   5.642  -9.259  -0.789
   46    H    ASP   7           HN       ASP   7   0.278  -3.921   2.817
   47    HA   ASP   7           HA       ASP   7  -2.151  -5.233   3.942
   48   2HB   ASP   7           HB1      ASP   7  -2.599  -2.640   4.438
   49   1HB   ASP   7           HB2      ASP   7  -0.844  -2.562   4.275
   50    H    ALA   8           HN       ALA   8  -3.796  -5.504   2.517
   51    HA   ALA   8           HA       ALA   8  -3.918  -4.477  -0.102
   52   1HB   ALA   8           HB1      ALA   8  -5.306  -6.359   0.651
   53   2HB   ALA   8           HB2      ALA   8  -6.314  -5.099  -0.061
   54   3HB   ALA   8           HB3      ALA   8  -6.230  -5.275   1.692
   55    H    CYS   9           HN       CYS   9  -3.994  -2.376  -0.690
   56    HA   CYS   9           HA       CYS   9  -5.980  -0.591   0.614
   57   2HB   CYS   9           HB1      CYS   9  -3.873  -0.147   1.793
   58   1HB   CYS   9           HB2      CYS   9  -4.297   1.229   0.776
   59    H    THR  10           HN       THR  10  -6.656   1.150  -0.747
   60    HA   THR  10           HA       THR  10  -6.184   0.645  -3.629
   61    HB   THR  10           HB       THR  10  -8.106   2.619  -2.356
   62    HG1  THR  10           HG1      THR  10  -8.500  -0.078  -3.152
   63   1HG2  THR  10          HG21      THR  10  -7.983   1.323  -5.095
   64   2HG2  THR  10          HG22      THR  10  -7.650   3.016  -4.729
   65   3HG2  THR  10          HG23      THR  10  -9.281   2.375  -4.530
   66    HA   PRO  11           HA       PRO  11  -3.365   4.065  -3.768
   67   2HB   PRO  11           HB1      PRO  11  -2.271   2.941  -5.458
   68   1HB   PRO  11           HB2      PRO  11  -3.090   4.110  -6.508
   69   1HG   PRO  11           HG1      PRO  11  -3.408   1.364  -6.710
   70   2HG   PRO  11           HG2      PRO  11  -4.628   2.533  -7.242
   71   1HD   PRO  11           HD2      PRO  11  -6.019   1.601  -5.665
   72   2HD   PRO  11           HD1      PRO  11  -4.676   0.715  -4.910
   73    H    GLY  12           HN       GLY  12  -3.677   6.262  -3.898
   74   2HA   GLY  12           HA1      GLY  12  -5.865   7.313  -5.627
   75   1HA   GLY  12           HA2      GLY  12  -4.549   8.276  -4.956
   76    H    LYS  13           HN       LYS  13  -5.907   6.014  -2.740
   77    HA   LYS  13           HA       LYS  13  -7.895   7.928  -1.684
   78   2HB   LYS  13           HB1      LYS  13  -8.110   5.958   0.055
   79   1HB   LYS  13           HB2      LYS  13  -7.242   5.048  -1.180
   80   1HG   LYS  13           HG1      LYS  13  -9.693   6.682  -1.851
   81   2HG   LYS  13           HG2      LYS  13  -9.823   5.019  -1.278
   82   2HD   LYS  13           HD1      LYS  13  -9.406   4.294  -3.366
   83   1HD   LYS  13           HD2      LYS  13  -7.816   5.054  -3.296
   84   2HE   LYS  13           HE1      LYS  13  -8.643   7.088  -4.230
   85   1HE   LYS  13           HE2      LYS  13 -10.320   6.611  -3.971
   86   1HZ   LYS  13           HZ1      LYS  13  -8.439   5.214  -5.795
   87   2HZ   LYS  13           HZ2      LYS  13  -9.586   6.364  -6.292
   88   3HZ   LYS  13           HZ3      LYS  13 -10.094   4.895  -5.607
   89    H    ASN  14           HN       ASN  14  -5.454   5.918  -0.115
   90    HA   ASN  14           HA       ASN  14  -4.762   8.239   1.642
   91   2HB   ASN  14           HB1      ASN  14  -4.019   6.475   3.285
   92   1HB   ASN  14           HB2      ASN  14  -4.701   5.262   2.203
   93   1HD2  ASN  14          HD21      ASN  14  -7.084   5.312   1.871
   94   2HD2  ASN  14          HD22      ASN  14  -8.087   6.082   3.003
   95    H    GLU  15           HN       GLU  15  -3.547   6.032  -0.714
   96    HA   GLU  15           HA       GLU  15  -1.438   5.777  -1.669
   97   2HB   GLU  15           HB1      GLU  15   0.256   7.578  -1.192
   98   1HB   GLU  15           HB2      GLU  15  -0.882   8.275  -0.041
   99   1HG   GLU  15           HG1      GLU  15  -1.964   7.665  -2.742
  100   2HG   GLU  15           HG2      GLU  15  -0.795   8.982  -2.659
  101    H    CYS  16           HN       CYS  16  -2.163   4.787   1.224
  102    HA   CYS  16           HA       CYS  16  -1.115   3.541   2.902
  103   2HB   CYS  16           HB1      CYS  16   1.349   3.025   1.399
  104   1HB   CYS  16           HB2      CYS  16  -0.107   2.734   0.448
  105    H    CYS  17           HN       CYS  17   1.703   3.237   3.417
  106    HA   CYS  17           HA       CYS  17   2.213   5.628   4.956
  107   2HB   CYS  17           HB1      CYS  17   4.365   4.517   5.493
  108   1HB   CYS  17           HB2      CYS  17   4.056   3.324   4.235
  109    HA   PRO  18           HA       PRO  18   4.621   8.016   2.141
  110   2HB   PRO  18           HB1      PRO  18   4.981   9.560   3.807
  111   1HB   PRO  18           HB2      PRO  18   6.645   8.953   3.759
  112   1HG   PRO  18           HG1      PRO  18   5.042   8.875   6.015
  113   2HG   PRO  18           HG2      PRO  18   6.375   7.745   5.724
  114   1HD   PRO  18           HD2      PRO  18   4.785   6.086   5.744
  115   2HD   PRO  18           HD1      PRO  18   3.457   7.259   5.634
  116    H    ASN  19           HN       ASN  19   6.303   5.493   3.935
  117    HA   ASN  19           HA       ASN  19   8.589   5.528   2.047
  118   2HB   ASN  19           HB1      ASN  19   9.541   3.793   3.534
  119   1HB   ASN  19           HB2      ASN  19   8.056   3.801   4.485
  120   1HD2  ASN  19          HD21      ASN  19   7.642   5.681   5.856
  121   2HD2  ASN  19          HD22      ASN  19   8.853   6.826   6.181
  122    H    ARG  20           HN       ARG  20   5.528   4.148   2.210
  123    HA   ARG  20           HA       ARG  20   6.354   1.925   0.387
  124   2HB   ARG  20           HB1      ARG  20   4.277   0.731   1.320
  125   1HB   ARG  20           HB2      ARG  20   4.309   1.924   2.618
  126   1HG   ARG  20           HG1      ARG  20   6.890   0.580   2.011
  127   2HG   ARG  20           HG2      ARG  20   5.642  -0.431   2.738
  128   2HD   ARG  20           HD1      ARG  20   5.525   1.941   4.204
  129   1HD   ARG  20           HD2      ARG  20   7.250   1.686   3.947
  130    HE   ARG  20           HE       ARG  20   6.665  -0.737   4.819
  131   1HH1  ARG  20          HH11      ARG  20   7.513   0.956   7.003
  132   2HH1  ARG  20          HH12      ARG  20   6.145   0.998   8.065
  133   1HH2  ARG  20          HH21      ARG  20   3.908  -0.130   5.657
  134   2HH2  ARG  20          HH22      ARG  20   4.098   0.381   7.301
  135    H    VAL  21           HN       VAL  21   4.169   1.146  -0.801
  136    HA   VAL  21           HA       VAL  21   2.376   3.417  -1.414
  137    HB   VAL  21           HB       VAL  21   2.823   2.919  -3.940
  138   1HG1  VAL  21          HG11      VAL  21   3.341   5.036  -2.668
  139   2HG1  VAL  21          HG12      VAL  21   4.431   4.714  -4.017
  140   3HG1  VAL  21          HG13      VAL  21   4.952   4.386  -2.364
  141   1HG2  VAL  21          HG21      VAL  21   5.549   2.203  -2.836
  142   2HG2  VAL  21          HG22      VAL  21   4.993   2.106  -4.506
  143   3HG2  VAL  21          HG23      VAL  21   4.376   0.972  -3.304
  144    H    CYS  22           HN       CYS  22   0.472   2.758  -2.602
  145    HA   CYS  22           HA       CYS  22  -0.311  -0.014  -2.048
  146   2HB   CYS  22           HB1      CYS  22  -2.501   0.742  -3.087
  147   1HB   CYS  22           HB2      CYS  22  -1.769   2.333  -3.296
  148    H    SER  23           HN       SER  23   0.448  -1.537  -3.437
  149    HA   SER  23           HA       SER  23   1.154  -0.989  -6.188
  150   2HB   SER  23           HB1      SER  23   0.604  -3.782  -5.297
  151   1HB   SER  23           HB2      SER  23   1.896  -2.913  -4.477
  152    HG   SER  23           HG       SER  23   1.719  -3.741  -7.121
  153    H    ASP  24           HN       ASP  24   0.086  -1.717  -8.093
  154    HA   ASP  24           HA       ASP  24  -2.859  -1.938  -7.811
  155   2HB   ASP  24           HB1      ASP  24  -2.761  -1.692 -10.354
  156   1HB   ASP  24           HB2      ASP  24  -1.030  -1.413 -10.167
  157    H    LYS  25           HN       LYS  25  -0.183  -3.630  -9.496
  158    HA   LYS  25           HA       LYS  25  -1.790  -5.878 -10.322
  159   2HB   LYS  25           HB1      LYS  25   1.167  -6.104  -9.810
  160   1HB   LYS  25           HB2      LYS  25   0.587  -5.089 -11.131
  161   2HG   LYS  25           HG1      LYS  25  -0.829  -7.153 -11.813
  162   1HG   LYS  25           HG2      LYS  25   0.244  -8.064 -10.750
  163   2HD   LYS  25           HD1      LYS  25   2.192  -7.311 -12.024
  164   1HD   LYS  25           HD2      LYS  25   1.166  -6.297 -13.039
  165   2HE   LYS  25           HE1      LYS  25   0.360  -8.084 -14.236
  166   1HE   LYS  25           HE2      LYS  25   0.424  -9.175 -12.853
  167   1HZ   LYS  25           HZ1      LYS  25   2.803  -9.314 -13.079
  168   2HZ   LYS  25           HZ2      LYS  25   2.791  -8.193 -14.357
  169   3HZ   LYS  25           HZ3      LYS  25   2.077  -9.722 -14.556
  170    H    HIS  26           HN       HIS  26   0.062  -5.131  -7.412
  171    HA   HIS  26           HA       HIS  26  -0.364  -7.832  -6.290
  172   2HB   HIS  26           HB1      HIS  26   0.703  -6.486  -4.239
  173   1HB   HIS  26           HB2      HIS  26   1.195  -5.398  -5.531
  174    HD1  HIS  26           HD1      HIS  26   3.637  -6.414  -4.648
  175    HD2  HIS  26           HD2      HIS  26   1.214  -8.927  -6.928
  176    HE1  HIS  26           HE1      HIS  26   5.139  -8.252  -5.529
  177    H    LYS  27           HN       LYS  27  -1.672  -4.580  -6.056
  178    HA   LYS  27           HA       LYS  27  -3.614  -3.766  -5.065
  179   2HB   LYS  27           HB1      LYS  27  -5.326  -5.433  -4.313
  180   1HB   LYS  27           HB2      LYS  27  -4.169  -6.718  -4.655
  181   2HG   LYS  27           HG1      LYS  27  -4.172  -6.251  -6.979
  182   1HG   LYS  27           HG2      LYS  27  -4.907  -4.665  -6.744
  183   2HD   LYS  27           HD1      LYS  27  -7.015  -5.526  -6.642
  184   1HD   LYS  27           HD2      LYS  27  -6.499  -6.926  -5.701
  185   1HE   LYS  27           HE1      LYS  27  -5.546  -6.831  -8.513
  186   2HE   LYS  27           HE2      LYS  27  -7.278  -7.081  -8.297
  187   1HZ   LYS  27           HZ1      LYS  27  -5.171  -8.671  -6.937
  188   2HZ   LYS  27           HZ2      LYS  27  -5.991  -9.163  -8.342
  189   3HZ   LYS  27           HZ3      LYS  27  -6.844  -8.951  -6.888
  190    H    TRP  28           HN       TRP  28  -1.087  -4.351  -3.444
  191    HA   TRP  28           HA       TRP  28  -2.354  -3.804  -0.842
  192   2HB   TRP  28           HB1      TRP  28  -2.128  -6.218  -0.717
  193   1HB   TRP  28           HB2      TRP  28  -0.957  -5.474   0.361
  194    HD1  TRP  28           HD1      TRP  28   1.492  -4.906  -1.287
  195    HE1  TRP  28           HE1      TRP  28   2.815  -6.752  -2.500
  196    HE3  TRP  28           HE3      TRP  28  -2.109  -8.515  -1.598
  197    HZ2  TRP  28           HZ2      TRP  28   2.405  -9.409  -3.473
  198    HZ3  TRP  28           HZ3      TRP  28  -1.613 -10.694  -2.669
  199    HH2  TRP  28           HH2      TRP  28   0.637 -11.145  -3.606
  200    H    CYS  29           HN       CYS  29  -0.608  -3.208   0.820
  201    HA   CYS  29           HA       CYS  29   1.060  -1.145  -0.298
  202   2HB   CYS  29           HB1      CYS  29   1.657  -2.171   2.432
  203   1HB   CYS  29           HB2      CYS  29   0.026  -1.560   2.158
  204    H    LYS  30           HN       LYS  30   3.285  -1.116  -0.651
  205    HA   LYS  30           HA       LYS  30   4.903  -3.482   0.061
  206   2HB   LYS  30           HB1      LYS  30   3.996  -4.144  -2.098
  207   1HB   LYS  30           HB2      LYS  30   5.703  -3.749  -2.291
  208   2HG   LYS  30           HG1      LYS  30   4.586  -1.310  -2.746
  209   1HG   LYS  30           HG2      LYS  30   3.303  -2.361  -3.347
  210   2HD   LYS  30           HD1      LYS  30   4.810  -3.448  -4.877
  211   1HD   LYS  30           HD2      LYS  30   6.210  -2.663  -4.145
  212   1HE   LYS  30           HE1      LYS  30   4.096  -0.824  -5.108
  213   2HE   LYS  30           HE2      LYS  30   4.933  -1.729  -6.370
  214   1HZ   LYS  30           HZ1      LYS  30   6.007   0.405  -5.797
  215   2HZ   LYS  30           HZ2      LYS  30   7.026  -0.937  -5.581
  216   3HZ   LYS  30           HZ3      LYS  30   6.306  -0.188  -4.236
  217    H    TRP  31           HN       TRP  31   7.247  -3.101  -0.550
  218    HA   TRP  31           HA       TRP  31   8.041  -0.436   0.287
  219   2HB   TRP  31           HB1      TRP  31  10.383  -1.420  -0.253
  220   1HB   TRP  31           HB2      TRP  31   9.522  -2.936  -0.519
  221    HD1  TRP  31           HD1      TRP  31   9.242  -4.370   1.558
  222    HE1  TRP  31           HE1      TRP  31   9.225  -3.956   4.103
  223    HE3  TRP  31           HE3      TRP  31   9.709   0.710   1.624
  224    HZ2  TRP  31           HZ2      TRP  31   9.392  -1.757   5.926
  225    HZ3  TRP  31           HZ3      TRP  31   9.779   1.940   3.775
  226    HH2  TRP  31           HH2      TRP  31   9.620   0.714   5.924
  227    H    LYS  32           HN       LYS  32   9.732   0.788  -0.989
  228    HA   LYS  32           HA       LYS  32   9.302   0.585  -3.939
  229   2HB   LYS  32           HB1      LYS  32   7.909   2.391  -3.571
  230   1HB   LYS  32           HB2      LYS  32   9.445   3.237  -3.740
  231   2HG   LYS  32           HG1      LYS  32   9.520   2.694  -1.090
  232   1HG   LYS  32           HG2      LYS  32   7.774   2.795  -1.316
  233   1HD   LYS  32           HD1      LYS  32   9.354   4.932  -2.633
  234   2HD   LYS  32           HD2      LYS  32   9.373   4.958  -0.870
  235   2HE   LYS  32           HE1      LYS  32   7.400   6.068  -1.061
  236   1HE   LYS  32           HE2      LYS  32   6.713   4.482  -1.413
  237   1HZ   LYS  32           HZ1      LYS  32   6.184   6.217  -3.084
  238   2HZ   LYS  32           HZ2      LYS  32   6.965   4.856  -3.735
  239   3HZ   LYS  32           HZ3      LYS  32   7.831   6.296  -3.479
  240    H    LEU  33           HN       LEU  33  11.562   0.049  -1.866
  241    HA   LEU  33           HA       LEU  33  13.646   1.940  -2.719
  242   2HB   LEU  33           HB1      LEU  33  14.570  -0.471  -1.338
  243   1HB   LEU  33           HB2      LEU  33  13.275   0.349  -0.465
  244    HG   LEU  33           HG       LEU  33  14.651   2.515  -0.961
  245   1HD1  LEU  33          HD11      LEU  33  16.004   2.121   1.091
  246   2HD1  LEU  33          HD12      LEU  33  15.605   0.406   1.001
  247   3HD1  LEU  33          HD13      LEU  33  14.333   1.593   1.286
  248   1HD2  LEU  33          HD21      LEU  33  16.237   1.480  -2.524
  249   2HD2  LEU  33          HD22      LEU  33  16.751   0.345  -1.277
  250   3HD2  LEU  33          HD23      LEU  33  17.095   2.065  -1.099

  No H/Q in entry =         250
  Start of MODEL    3
    1    HA   ALA   1           HA       ALA   1  -3.532  13.468   1.872
    2   1HB   ALA   1           HB1      ALA   1  -3.741  15.384   0.457
    3   2HB   ALA   1           HB2      ALA   1  -4.135  13.996  -0.556
    4   3HB   ALA   1           HB3      ALA   1  -2.550  14.759  -0.683
    5    H1   ALA   1           HT1      ALA   1  -0.821  14.150   0.865
    6    H2   ALA   1           HT2      ALA   1  -1.184  13.473   2.380
    7    H3   ALA   1           HT3      ALA   1  -1.696  15.049   2.005
    8    H    CYS   2           HN       CYS   2  -4.146  11.395   1.397
    9    HA   CYS   2           HA       CYS   2  -2.572   9.860  -0.618
   10   2HB   CYS   2           HB1      CYS   2  -1.553   9.185   1.435
   11   1HB   CYS   2           HB2      CYS   2  -2.666   7.889   0.999
   12    H    LYS   3           HN       LYS   3  -3.709   7.866  -1.325
   13    HA   LYS   3           HA       LYS   3  -6.531   8.368  -1.790
   14   2HB   LYS   3           HB1      LYS   3  -6.417   6.031  -2.834
   15   1HB   LYS   3           HB2      LYS   3  -4.701   6.046  -2.429
   16   1HG   LYS   3           HG1      LYS   3  -5.532   8.525  -3.730
   17   2HG   LYS   3           HG2      LYS   3  -5.867   7.115  -4.734
   18   2HD   LYS   3           HD1      LYS   3  -3.379   6.479  -3.876
   19   1HD   LYS   3           HD2      LYS   3  -3.261   8.239  -3.845
   20   2HE   LYS   3           HE1      LYS   3  -3.820   8.405  -6.168
   21   1HE   LYS   3           HE2      LYS   3  -4.323   6.716  -6.237
   22   1HZ   LYS   3           HZ1      LYS   3  -2.065   6.030  -5.850
   23   2HZ   LYS   3           HZ2      LYS   3  -1.557   7.643  -5.677
   24   3HZ   LYS   3           HZ3      LYS   3  -2.107   7.079  -7.182
   25    H    GLY   4           HN       GLY   4  -8.020   6.256  -1.496
   26   2HA   GLY   4           HA1      GLY   4  -9.341   5.236   0.181
   27   1HA   GLY   4           HA2      GLY   4  -8.222   5.855   1.395
   28    H    VAL   5           HN       VAL   5  -9.348   3.129   1.092
   29    HA   VAL   5           HA       VAL   5  -6.792   1.652   1.275
   30    HB   VAL   5           HB       VAL   5  -9.486   0.378   1.686
   31   1HG1  VAL   5          HG11      VAL   5  -6.672   0.030   2.702
   32   2HG1  VAL   5          HG12      VAL   5  -7.734  -1.163   1.953
   33   3HG1  VAL   5          HG13      VAL   5  -8.035  -0.630   3.607
   34   1HG2  VAL   5          HG21      VAL   5  -9.014   1.164   4.181
   35   2HG2  VAL   5          HG22      VAL   5  -9.903   2.203   3.068
   36   3HG2  VAL   5          HG23      VAL   5  -8.191   2.497   3.370
   37    H    PHE   6           HN       PHE   6  -6.646  -0.517   0.216
   38    HA   PHE   6           HA       PHE   6  -6.606  -1.829  -1.715
   39   2HB   PHE   6           HB1      PHE   6  -8.791  -2.093  -2.904
   40   1HB   PHE   6           HB2      PHE   6  -9.448  -0.781  -1.926
   41    HD1  PHE   6           HD1      PHE   6 -10.203  -1.168   0.297
   42    HD2  PHE   6           HD2      PHE   6  -7.891  -4.164  -1.737
   43    HE1  PHE   6           HE1      PHE   6 -10.668  -2.772   2.129
   44    HE2  PHE   6           HE2      PHE   6  -8.358  -5.768   0.095
   45    HZ   PHE   6           HZ       PHE   6  -9.746  -5.071   2.029
   46    H    ASP   7           HN       ASP   7  -5.519   0.808  -1.920
   47    HA   ASP   7           HA       ASP   7  -6.333   1.711  -4.638
   48   2HB   ASP   7           HB1      ASP   7  -4.447   2.999  -2.634
   49   1HB   ASP   7           HB2      ASP   7  -6.138   3.440  -2.869
   50    H    ALA   8           HN       ALA   8  -5.177   0.945  -6.327
   51    HA   ALA   8           HA       ALA   8  -2.854  -0.689  -6.060
   52   1HB   ALA   8           HB1      ALA   8  -2.637  -0.411  -8.524
   53   2HB   ALA   8           HB2      ALA   8  -3.873   0.846  -8.469
   54   3HB   ALA   8           HB3      ALA   8  -4.284  -0.815  -8.040
   55    H    CYS   9           HN       CYS   9  -0.824  -0.077  -5.552
   56    HA   CYS   9           HA       CYS   9   0.204   2.531  -6.554
   57   2HB   CYS   9           HB1      CYS   9  -0.571   3.008  -4.287
   58   1HB   CYS   9           HB2      CYS   9   1.192   3.008  -4.314
   59    H    THR  10           HN       THR  10   2.483   2.561  -6.832
   60    HA   THR  10           HA       THR  10   3.713  -0.122  -7.011
   61    HB   THR  10           HB       THR  10   4.769   2.593  -7.878
   62    HG1  THR  10           HG1      THR  10   3.541   0.492  -9.345
   63   1HG2  THR  10          HG21      THR  10   5.707  -0.231  -8.463
   64   2HG2  THR  10          HG22      THR  10   6.574   0.989  -7.530
   65   3HG2  THR  10          HG23      THR  10   6.324   1.216  -9.261
   66    HA   PRO  11           HA       PRO  11   5.865   0.567  -3.189
   67   2HB   PRO  11           HB1      PRO  11   5.693  -1.706  -2.827
   68   1HB   PRO  11           HB2      PRO  11   7.399  -1.717  -3.308
   69   1HG   PRO  11           HG1      PRO  11   5.404  -3.129  -4.624
   70   2HG   PRO  11           HG2      PRO  11   6.912  -2.610  -5.394
   71   1HD   PRO  11           HD2      PRO  11   5.616  -1.329  -6.796
   72   2HD   PRO  11           HD1      PRO  11   4.170  -1.597  -5.799
   73    H    GLY  12           HN       GLY  12   7.641   1.820  -2.836
   74   2HA   GLY  12           HA1      GLY  12  10.068   1.463  -4.506
   75   1HA   GLY  12           HA2      GLY  12   9.967   2.418  -3.025
   76    H    LYS  13           HN       LYS  13   7.302   2.950  -5.103
   77    HA   LYS  13           HA       LYS  13   8.603   5.274  -6.423
   78   2HB   LYS  13           HB1      LYS  13   6.012   3.822  -6.997
   79   1HB   LYS  13           HB2      LYS  13   7.487   3.758  -7.961
   80   2HG   LYS  13           HG1      LYS  13   6.802   6.503  -7.622
   81   1HG   LYS  13           HG2      LYS  13   5.339   5.649  -8.111
   82   2HD   LYS  13           HD1      LYS  13   6.274   4.939 -10.129
   83   1HD   LYS  13           HD2      LYS  13   7.927   5.095  -9.532
   84   2HE   LYS  13           HE1      LYS  13   7.436   7.627  -9.391
   85   1HE   LYS  13           HE2      LYS  13   6.028   7.283 -10.395
   86   1HZ   LYS  13           HZ1      LYS  13   8.811   6.527 -11.101
   87   2HZ   LYS  13           HZ2      LYS  13   8.020   7.915 -11.677
   88   3HZ   LYS  13           HZ3      LYS  13   7.436   6.371 -12.082
   89    H    ASN  14           HN       ASN  14   5.407   4.520  -5.107
   90    HA   ASN  14           HA       ASN  14   5.464   6.899  -3.374
   91   2HB   ASN  14           HB1      ASN  14   3.185   6.676  -5.338
   92   1HB   ASN  14           HB2      ASN  14   4.653   7.555  -5.761
   93   1HD2  ASN  14          HD21      ASN  14   5.076   9.576  -4.646
   94   2HD2  ASN  14          HD22      ASN  14   3.923  10.307  -3.637
   95    H    GLU  15           HN       GLU  15   4.422   6.381  -1.508
   96    HA   GLU  15           HA       GLU  15   2.700   3.954  -1.494
   97   1HB   GLU  15           HB1      GLU  15   4.603   4.069   0.113
   98   2HB   GLU  15           HB2      GLU  15   3.045   3.924   0.921
   99   2HG   GLU  15           HG1      GLU  15   3.259   6.632   0.783
  100   1HG   GLU  15           HG2      GLU  15   4.962   6.192   0.891
  101    H    CYS  16           HN       CYS  16   0.740   4.030  -0.076
  102    HA   CYS  16           HA       CYS  16  -0.811   6.473  -0.638
  103   1HB   CYS  16           HB1      CYS  16  -1.813   4.253  -1.051
  104   2HB   CYS  16           HB2      CYS  16  -2.732   5.131   0.170
  105    H    CYS  17           HN       CYS  17  -2.421   5.634   1.970
  106    HA   CYS  17           HA       CYS  17  -1.351   7.709   3.652
  107   1HB   CYS  17           HB1      CYS  17  -3.002   6.933   5.297
  108   2HB   CYS  17           HB2      CYS  17  -3.231   5.440   4.390
  109    HA   PRO  18           HA       PRO  18   1.675   5.564   6.011
  110   2HB   PRO  18           HB1      PRO  18   2.047   7.483   7.215
  111   1HB   PRO  18           HB2      PRO  18   1.265   6.593   8.533
  112   1HG   PRO  18           HG1      PRO  18   0.324   8.994   7.535
  113   2HG   PRO  18           HG2      PRO  18  -0.716   7.786   8.309
  114   1HD   PRO  18           HD2      PRO  18  -1.822   7.670   6.294
  115   2HD   PRO  18           HD1      PRO  18  -0.524   8.540   5.449
  116    H    ASN  19           HN       ASN  19  -1.669   5.254   7.009
  117    HA   ASN  19           HA       ASN  19  -1.146   3.118   8.945
  118   2HB   ASN  19           HB1      ASN  19  -3.685   2.894   8.854
  119   1HB   ASN  19           HB2      ASN  19  -3.674   4.259   7.738
  120   1HD2  ASN  19          HD21      ASN  19  -3.206   3.310  11.105
  121   2HD2  ASN  19          HD22      ASN  19  -3.049   4.884  11.721
  122    H    ARG  20           HN       ARG  20  -1.342   3.303   5.559
  123    HA   ARG  20           HA       ARG  20  -1.853   0.359   5.384
  124   2HB   ARG  20           HB1      ARG  20  -2.555   1.028   2.942
  125   1HB   ARG  20           HB2      ARG  20  -2.784   2.630   3.643
  126   1HG   ARG  20           HG1      ARG  20  -3.963   0.223   5.010
  127   2HG   ARG  20           HG2      ARG  20  -4.788   0.926   3.619
  128   1HD   ARG  20           HD1      ARG  20  -3.969   3.046   5.377
  129   2HD   ARG  20           HD2      ARG  20  -4.831   1.831   6.319
  130    HE   ARG  20           HE       ARG  20  -6.780   2.187   4.908
  131   1HH1  ARG  20          HH11      ARG  20  -4.894   3.125   2.572
  132   2HH1  ARG  20          HH12      ARG  20  -5.430   4.764   2.413
  133   1HH2  ARG  20          HH21      ARG  20  -7.131   4.781   5.442
  134   2HH2  ARG  20          HH22      ARG  20  -6.700   5.704   4.042
  135    H    VAL  21           HN       VAL  21  -0.626  -0.751   3.711
  136    HA   VAL  21           HA       VAL  21   1.815   0.740   2.820
  137    HB   VAL  21           HB       VAL  21   3.027  -1.466   3.037
  138   1HG1  VAL  21          HG11      VAL  21   1.810  -0.360   5.586
  139   2HG1  VAL  21          HG12      VAL  21   3.196   0.329   4.742
  140   3HG1  VAL  21          HG13      VAL  21   3.313  -1.275   5.467
  141   1HG2  VAL  21          HG21      VAL  21   0.636  -2.260   4.724
  142   2HG2  VAL  21          HG22      VAL  21   2.035  -3.251   4.309
  143   3HG2  VAL  21          HG23      VAL  21   0.864  -2.813   3.065
  144    H    CYS  22           HN       CYS  22   2.725   0.035   0.790
  145    HA   CYS  22           HA       CYS  22   0.713  -0.783  -1.153
  146   2HB   CYS  22           HB1      CYS  22   2.775  -0.763  -2.716
  147   1HB   CYS  22           HB2      CYS  22   3.659  -0.135  -1.324
  148    H    SER  23           HN       SER  23   0.146  -2.874  -1.415
  149    HA   SER  23           HA       SER  23   1.974  -5.033  -0.572
  150   2HB   SER  23           HB1      SER  23  -0.799  -5.280  -1.763
  151   1HB   SER  23           HB2      SER  23  -0.505  -5.017  -0.047
  152    HG   SER  23           HG       SER  23   0.292  -6.976   0.169
  153    H    ASP  24           HN       ASP  24   2.917  -6.516  -1.967
  154    HA   ASP  24           HA       ASP  24   3.011  -5.753  -4.825
  155   2HB   ASP  24           HB1      ASP  24   4.730  -7.746  -4.786
  156   1HB   ASP  24           HB2      ASP  24   4.647  -7.537  -3.037
  157    H    LYS  25           HN       LYS  25   2.245  -8.628  -2.831
  158    HA   LYS  25           HA       LYS  25   1.409 -10.273  -5.048
  159   2HB   LYS  25           HB1      LYS  25   0.267 -10.600  -2.284
  160   1HB   LYS  25           HB2      LYS  25   1.979 -10.919  -2.559
  161   1HG   LYS  25           HG1      LYS  25   0.346 -12.131  -4.637
  162   2HG   LYS  25           HG2      LYS  25  -0.159 -12.680  -3.039
  163   1HD   LYS  25           HD1      LYS  25   2.747 -12.587  -3.278
  164   2HD   LYS  25           HD2      LYS  25   2.027 -13.629  -4.505
  165   2HE   LYS  25           HE1      LYS  25   2.312 -15.079  -2.671
  166   1HE   LYS  25           HE2      LYS  25   0.623 -14.592  -2.533
  167   1HZ   LYS  25           HZ1      LYS  25   1.247 -12.924  -0.925
  168   2HZ   LYS  25           HZ2      LYS  25   2.890 -13.325  -1.089
  169   3HZ   LYS  25           HZ3      LYS  25   1.803 -14.443  -0.415
  170    H    HIS  26           HN       HIS  26  -0.261  -7.955  -2.955
  171    HA   HIS  26           HA       HIS  26  -2.879  -8.567  -4.183
  172   2HB   HIS  26           HB1      HIS  26  -3.649  -6.684  -2.670
  173   1HB   HIS  26           HB2      HIS  26  -1.998  -6.587  -2.065
  174    HD1  HIS  26           HD1      HIS  26  -4.763  -9.190  -2.451
  175    HD2  HIS  26           HD2      HIS  26  -1.480  -8.376  -0.014
  176    HE1  HIS  26           HE1      HIS  26  -4.784 -10.933  -0.613
  177    H    LYS  27           HN       LYS  27  -0.283  -6.221  -4.434
  178    HA   LYS  27           HA       LYS  27   0.137  -4.596  -6.055
  179   2HB   LYS  27           HB1      LYS  27  -2.399  -4.968  -7.530
  180   1HB   LYS  27           HB2      LYS  27  -1.384  -6.405  -7.407
  181   2HG   LYS  27           HG1      LYS  27   0.526  -5.156  -8.310
  182   1HG   LYS  27           HG2      LYS  27  -0.445  -3.685  -8.373
  183   1HD   LYS  27           HD1      LYS  27  -1.315  -6.197  -9.805
  184   2HD   LYS  27           HD2      LYS  27  -0.196  -5.060 -10.556
  185   2HE   LYS  27           HE1      LYS  27  -1.954  -3.252  -9.936
  186   1HE   LYS  27           HE2      LYS  27  -3.060  -4.608  -9.716
  187   1HZ   LYS  27           HZ1      LYS  27  -2.509  -5.330 -11.985
  188   2HZ   LYS  27           HZ2      LYS  27  -1.548  -3.943 -12.185
  189   3HZ   LYS  27           HZ3      LYS  27  -3.223  -3.792 -11.952
  190    H    TRP  28           HN       TRP  28  -1.840  -4.253  -3.647
  191    HA   TRP  28           HA       TRP  28  -2.531  -1.484  -4.377
  192   1HB   TRP  28           HB1      TRP  28  -4.554  -2.737  -5.026
  193   2HB   TRP  28           HB2      TRP  28  -4.872  -1.665  -3.669
  194    HD1  TRP  28           HD1      TRP  28  -4.375  -3.084  -1.154
  195    HE1  TRP  28           HE1      TRP  28  -5.436  -5.341  -0.512
  196    HE3  TRP  28           HE3      TRP  28  -5.617  -4.827  -5.792
  197    HZ2  TRP  28           HZ2      TRP  28  -6.655  -7.587  -1.792
  198    HZ3  TRP  28           HZ3      TRP  28  -6.730  -7.026  -6.049
  199    HH2  TRP  28           HH2      TRP  28  -7.250  -8.407  -4.056
  200    H    CYS  29           HN       CYS  29  -3.434  -0.308  -2.377
  201    HA   CYS  29           HA       CYS  29  -1.662  -0.884  -0.127
  202   2HB   CYS  29           HB1      CYS  29  -3.391   1.091   0.738
  203   1HB   CYS  29           HB2      CYS  29  -3.371   1.338  -1.008
  204    H    LYS  30           HN       LYS  30  -2.188  -2.083   1.633
  205    HA   LYS  30           HA       LYS  30  -5.084  -2.525   2.226
  206   2HB   LYS  30           HB1      LYS  30  -4.554  -4.605   1.309
  207   1HB   LYS  30           HB2      LYS  30  -4.241  -4.881   3.019
  208   1HG   LYS  30           HG1      LYS  30  -2.071  -3.998   1.100
  209   2HG   LYS  30           HG2      LYS  30  -2.436  -5.695   1.398
  210   2HD   LYS  30           HD1      LYS  30  -2.208  -5.022   3.924
  211   1HD   LYS  30           HD2      LYS  30  -1.317  -3.639   3.288
  212   2HE   LYS  30           HE1      LYS  30   0.462  -5.066   3.398
  213   1HE   LYS  30           HE2      LYS  30  -0.177  -5.665   1.868
  214   1HZ   LYS  30           HZ1      LYS  30  -1.473  -7.303   3.120
  215   2HZ   LYS  30           HZ2      LYS  30  -0.772  -6.753   4.567
  216   3HZ   LYS  30           HZ3      LYS  30   0.194  -7.486   3.378
  217    H    TRP  31           HN       TRP  31  -5.327  -3.482   4.518
  218    HA   TRP  31           HA       TRP  31  -4.082  -1.684   6.400
  219   2HB   TRP  31           HB1      TRP  31  -5.247  -3.253   8.090
  220   1HB   TRP  31           HB2      TRP  31  -5.899  -4.080   6.675
  221    HD1  TRP  31           HD1      TRP  31  -8.077  -3.134   5.767
  222    HE1  TRP  31           HE1      TRP  31  -9.347  -0.899   5.971
  223    HE3  TRP  31           HE3      TRP  31  -4.690  -0.450   8.476
  224    HZ2  TRP  31           HZ2      TRP  31  -8.972   1.689   7.132
  225    HZ3  TRP  31           HZ3      TRP  31  -5.170   1.898   9.120
  226    HH2  TRP  31           HH2      TRP  31  -7.304   2.969   8.451
  227    H    LYS  32           HN       LYS  32  -2.634  -2.231   8.116
  228    HA   LYS  32           HA       LYS  32  -0.697  -4.321   7.382
  229   1HB   LYS  32           HB1      LYS  32   0.779  -3.306   8.937
  230   2HB   LYS  32           HB2      LYS  32  -0.547  -2.543   9.815
  231   2HG   LYS  32           HG1      LYS  32  -0.975  -1.025   7.993
  232   1HG   LYS  32           HG2      LYS  32   0.125  -1.902   6.930
  233   2HD   LYS  32           HD1      LYS  32   1.541  -0.202   7.606
  234   1HD   LYS  32           HD2      LYS  32   1.854  -1.358   8.901
  235   2HE   LYS  32           HE1      LYS  32   0.296  -0.231  10.369
  236   1HE   LYS  32           HE2      LYS  32  -0.259   0.811   9.061
  237   1HZ   LYS  32           HZ1      LYS  32   2.500   0.757  10.158
  238   2HZ   LYS  32           HZ2      LYS  32   1.327   1.936  10.505
  239   3HZ   LYS  32           HZ3      LYS  32   1.939   1.781   8.928
  240    H    LEU  33           HN       LEU  33  -3.260  -3.883   9.657
  241    HA   LEU  33           HA       LEU  33  -2.623  -6.553  10.831
  242   2HB   LEU  33           HB1      LEU  33  -3.997  -4.650  12.631
  243   1HB   LEU  33           HB2      LEU  33  -2.327  -4.230  12.251
  244    HG   LEU  33           HG       LEU  33  -1.852  -6.756  12.770
  245   1HD1  LEU  33          HD11      LEU  33  -1.058  -4.814  14.104
  246   2HD1  LEU  33          HD12      LEU  33  -1.473  -6.191  15.124
  247   3HD1  LEU  33          HD13      LEU  33  -2.581  -4.825  14.994
  248   1HD2  LEU  33          HD21      LEU  33  -3.842  -6.817  14.842
  249   2HD2  LEU  33          HD22      LEU  33  -3.590  -7.972  13.533
  250   3HD2  LEU  33          HD23      LEU  33  -4.652  -6.585  13.292

  No H/Q in entry =         250
  Start of MODEL    4
    1    HA   ALA   1           HA       ALA   1   3.069  12.641  -4.552
    2   1HB   ALA   1           HB1      ALA   1   5.432  12.883  -3.818
    3   2HB   ALA   1           HB2      ALA   1   4.959  14.238  -2.794
    4   3HB   ALA   1           HB3      ALA   1   4.815  14.365  -4.547
    5    H1   ALA   1           HT1      ALA   1   2.412  14.936  -4.199
    6    H2   ALA   1           HT2      ALA   1   2.572  14.749  -2.518
    7    H3   ALA   1           HT3      ALA   1   1.377  13.885  -3.362
    8    H    CYS   2           HN       CYS   2   2.884  10.625  -3.713
    9    HA   CYS   2           HA       CYS   2   2.913  10.324  -0.733
   10   1HB   CYS   2           HB1      CYS   2   0.719   9.824  -1.796
   11   2HB   CYS   2           HB2      CYS   2   1.421   8.400  -1.031
   12    H    LYS   3           HN       LYS   3   3.186   7.589  -0.526
   13    HA   LYS   3           HA       LYS   3   6.012   7.221  -1.078
   14   2HB   LYS   3           HB1      LYS   3   5.570   4.891  -0.184
   15   1HB   LYS   3           HB2      LYS   3   3.878   5.359  -0.009
   16   2HG   LYS   3           HG1      LYS   3   4.309   6.649   1.818
   17   1HG   LYS   3           HG2      LYS   3   5.790   7.302   1.119
   18   2HD   LYS   3           HD1      LYS   3   6.429   4.641   1.571
   19   1HD   LYS   3           HD2      LYS   3   5.429   5.051   2.964
   20   2HE   LYS   3           HE1      LYS   3   7.538   5.720   3.705
   21   1HE   LYS   3           HE2      LYS   3   6.925   7.224   3.019
   22   1HZ   LYS   3           HZ1      LYS   3   9.161   6.767   2.249
   23   2HZ   LYS   3           HZ2      LYS   3   8.068   6.701   0.950
   24   3HZ   LYS   3           HZ3      LYS   3   8.674   5.266   1.629
   25    H    GLY   4           HN       GLY   4   6.647   4.950  -2.015
   26   2HA   GLY   4           HA1      GLY   4   6.989   3.937  -4.136
   27   1HA   GLY   4           HA2      GLY   4   5.632   4.868  -4.773
   28    H    VAL   5           HN       VAL   5   5.117   2.672  -5.711
   29    HA   VAL   5           HA       VAL   5   2.988   1.415  -4.217
   30    HB   VAL   5           HB       VAL   5   4.272   0.073  -6.584
   31   1HG1  VAL   5          HG11      VAL   5   2.420  -1.139  -5.862
   32   2HG1  VAL   5          HG12      VAL   5   1.686  -0.077  -7.062
   33   3HG1  VAL   5          HG13      VAL   5   1.548   0.305  -5.347
   34   1HG2  VAL   5          HG21      VAL   5   2.991   2.764  -6.519
   35   2HG2  VAL   5          HG22      VAL   5   2.481   1.681  -7.812
   36   3HG2  VAL   5          HG23      VAL   5   4.181   2.115  -7.646
   37    H    PHE   6           HN       PHE   6   2.934  -0.940  -3.690
   38    HA   PHE   6           HA       PHE   6   3.789  -2.809  -2.565
   39   2HB   PHE   6           HB1      PHE   6   6.552  -2.429  -3.579
   40   1HB   PHE   6           HB2      PHE   6   5.305  -2.564  -4.817
   41    HD1  PHE   6           HD1      PHE   6   3.934  -4.598  -5.017
   42    HD2  PHE   6           HD2      PHE   6   7.074  -4.292  -2.101
   43    HE1  PHE   6           HE1      PHE   6   3.862  -7.053  -4.680
   44    HE2  PHE   6           HE2      PHE   6   7.000  -6.747  -1.764
   45    HZ   PHE   6           HZ       PHE   6   5.395  -8.127  -3.054
   46    H    ASP   7           HN       ASP   7   3.883  -0.194  -1.274
   47    HA   ASP   7           HA       ASP   7   6.416  -0.263   0.279
   48   2HB   ASP   7           HB1      ASP   7   4.114   1.719   0.288
   49   1HB   ASP   7           HB2      ASP   7   5.664   1.932  -0.526
   50    H    ALA   8           HN       ALA   8   6.440  -1.453   2.119
   51    HA   ALA   8           HA       ALA   8   4.224  -2.786   3.248
   52   1HB   ALA   8           HB1      ALA   8   5.652  -3.107   5.250
   53   2HB   ALA   8           HB2      ALA   8   6.781  -1.908   4.619
   54   3HB   ALA   8           HB3      ALA   8   6.533  -3.426   3.756
   55    H    CYS   9           HN       CYS   9   2.553  -2.098   4.479
   56    HA   CYS   9           HA       CYS   9   2.863   0.313   6.185
   57   2HB   CYS   9           HB1      CYS   9   1.982   1.268   4.155
   58   1HB   CYS   9           HB2      CYS   9   0.648   1.172   5.303
   59    H    THR  10           HN       THR  10   0.809   0.592   7.562
   60    HA   THR  10           HA       THR  10  -0.170  -2.113   8.378
   61    HB   THR  10           HB       THR  10  -0.005   0.452   9.999
   62    HG1  THR  10           HG1      THR  10   2.000  -0.183  10.066
   63   1HG2  THR  10          HG21      THR  10  -1.822  -0.987  10.763
   64   2HG2  THR  10          HG22      THR  10  -0.487  -1.070  11.913
   65   3HG2  THR  10          HG23      THR  10  -0.746  -2.385  10.767
   66    HA   PRO  11           HA       PRO  11  -4.137  -0.692   6.982
   67   2HB   PRO  11           HB1      PRO  11  -4.610  -2.887   6.454
   68   1HB   PRO  11           HB2      PRO  11  -5.576  -2.837   7.939
   69   1HG   PRO  11           HG1      PRO  11  -3.478  -4.597   7.528
   70   2HG   PRO  11           HG2      PRO  11  -4.002  -4.060   9.133
   71   1HD   PRO  11           HD2      PRO  11  -1.900  -3.154   9.363
   72   2HD   PRO  11           HD1      PRO  11  -1.552  -3.352   7.632
   73    H    GLY  12           HN       GLY  12  -5.666   0.610   7.936
   74   2HA   GLY  12           HA1      GLY  12  -6.602   0.218  10.666
   75   1HA   GLY  12           HA2      GLY  12  -7.009   1.577   9.616
   76    H    LYS  13           HN       LYS  13  -3.916   1.829   9.202
   77    HA   LYS  13           HA       LYS  13  -3.433   3.413  11.675
   78   2HB   LYS  13           HB1      LYS  13  -1.516   1.578  10.231
   79   1HB   LYS  13           HB2      LYS  13  -2.091   1.420  11.890
   80   2HG   LYS  13           HG1      LYS  13  -1.044   3.987  11.825
   81   1HG   LYS  13           HG2      LYS  13   0.074   3.072  10.814
   82   2HD   LYS  13           HD1      LYS  13  -0.169   1.316  12.824
   83   1HD   LYS  13           HD2      LYS  13  -0.535   2.788  13.724
   84   2HE   LYS  13           HE1      LYS  13   1.794   2.675  13.920
   85   1HE   LYS  13           HE2      LYS  13   1.605   3.724  12.515
   86   1HZ   LYS  13           HZ1      LYS  13   2.059   0.789  12.431
   87   2HZ   LYS  13           HZ2      LYS  13   3.225   1.980  12.106
   88   3HZ   LYS  13           HZ3      LYS  13   1.882   1.802  11.081
   89    H    ASN  14           HN       ASN  14  -1.976   2.827   8.498
   90    HA   ASN  14           HA       ASN  14  -2.275   5.678   7.789
   91   2HB   ASN  14           HB1      ASN  14   0.476   4.486   7.538
   92   1HB   ASN  14           HB2      ASN  14  -0.029   5.206   9.067
   93   1HD2  ASN  14          HD21      ASN  14  -0.471   7.539   9.088
   94   2HD2  ASN  14          HD22      ASN  14   0.046   8.542   7.820
   95    H    GLU  15           HN       GLU  15  -2.500   5.949   5.591
   96    HA   GLU  15           HA       GLU  15  -2.194   3.505   3.892
   97   2HB   GLU  15           HB1      GLU  15  -3.836   4.584   2.380
   98   1HB   GLU  15           HB2      GLU  15  -3.913   5.973   3.463
   99   2HG   GLU  15           HG1      GLU  15  -5.798   4.482   3.918
  100   1HG   GLU  15           HG2      GLU  15  -4.692   4.461   5.291
  101    H    CYS  16           HN       CYS  16  -1.724   4.147   1.483
  102    HA   CYS  16           HA       CYS  16   0.605   6.000   1.527
  103   1HB   CYS  16           HB1      CYS  16   1.260   4.881  -0.581
  104   2HB   CYS  16           HB2      CYS  16  -0.221   3.925  -0.531
  105    H    CYS  17           HN       CYS  17  -0.998   5.292  -1.505
  106    HA   CYS  17           HA       CYS  17  -1.661   8.180  -1.782
  107   2HB   CYS  17           HB1      CYS  17  -2.087   6.770  -4.218
  108   1HB   CYS  17           HB2      CYS  17  -0.583   6.160  -3.531
  109    HA   PRO  18           HA       PRO  18  -6.006   7.451  -1.911
  110   2HB   PRO  18           HB1      PRO  18  -6.347   9.648  -2.501
  111   1HB   PRO  18           HB2      PRO  18  -6.825   8.963  -4.063
  112   1HG   PRO  18           HG1      PRO  18  -4.750  10.766  -3.744
  113   2HG   PRO  18           HG2      PRO  18  -4.829   9.596  -5.072
  114   1HD   PRO  18           HD2      PRO  18  -2.879   8.720  -4.224
  115   2HD   PRO  18           HD1      PRO  18  -3.050   9.625  -2.704
  116    H    ASN  19           HN       ASN  19  -4.248   6.852  -4.916
  117    HA   ASN  19           HA       ASN  19  -6.423   5.159  -5.995
  118   2HB   ASN  19           HB1      ASN  19  -4.785   4.833  -7.898
  119   1HB   ASN  19           HB2      ASN  19  -3.695   5.941  -7.062
  120   1HD2  ASN  19          HD21      ASN  19  -4.309   8.217  -6.963
  121   2HD2  ASN  19          HD22      ASN  19  -5.570   8.840  -7.913
  122    H    ARG  20           HN       ARG  20  -4.204   4.701  -3.636
  123    HA   ARG  20           HA       ARG  20  -3.812   1.819  -4.335
  124   2HB   ARG  20           HB1      ARG  20  -1.732   2.136  -2.745
  125   1HB   ARG  20           HB2      ARG  20  -1.887   3.832  -3.203
  126   2HG   ARG  20           HG1      ARG  20  -1.785   3.177  -5.592
  127   1HG   ARG  20           HG2      ARG  20  -1.596   1.490  -5.113
  128   2HD   ARG  20           HD1      ARG  20   0.592   1.776  -4.546
  129   1HD   ARG  20           HD2      ARG  20   0.292   3.351  -3.811
  130    HE   ARG  20           HE       ARG  20   0.721   2.900  -6.731
  131   1HH1  ARG  20          HH11      ARG  20  -0.765   5.339  -6.536
  132   2HH1  ARG  20          HH12      ARG  20   0.420   6.551  -6.182
  133   1HH2  ARG  20          HH21      ARG  20   2.828   4.272  -5.140
  134   2HH2  ARG  20          HH22      ARG  20   2.459   5.946  -5.389
  135    H    VAL  21           HN       VAL  21  -3.643   0.418  -2.375
  136    HA   VAL  21           HA       VAL  21  -4.866   1.611   0.071
  137    HB   VAL  21           HB       VAL  21  -6.258  -0.528   0.252
  138   1HG1  VAL  21          HG11      VAL  21  -7.394   1.510  -0.234
  139   2HG1  VAL  21          HG12      VAL  21  -7.961   0.356  -1.440
  140   3HG1  VAL  21          HG13      VAL  21  -6.752   1.563  -1.875
  141   1HG2  VAL  21          HG21      VAL  21  -4.990  -1.757  -1.529
  142   2HG2  VAL  21          HG22      VAL  21  -5.664  -0.649  -2.723
  143   3HG2  VAL  21          HG23      VAL  21  -6.729  -1.725  -1.819
  144    H    CYS  22           HN       CYS  22  -4.403   0.438   2.014
  145    HA   CYS  22           HA       CYS  22  -1.863  -1.055   1.891
  146   2HB   CYS  22           HB1      CYS  22  -3.497  -0.460   4.368
  147   1HB   CYS  22           HB2      CYS  22  -2.433   0.741   3.638
  148    H    SER  23           HN       SER  23  -1.959  -3.209   1.529
  149    HA   SER  23           HA       SER  23  -4.409  -4.728   2.101
  150   2HB   SER  23           HB1      SER  23  -1.928  -6.139   1.285
  151   1HB   SER  23           HB2      SER  23  -2.555  -4.956   0.142
  152    HG   SER  23           HG       SER  23  -3.601  -7.377   0.916
  153    H    ASP  24           HN       ASP  24  -4.663  -6.230   3.733
  154    HA   ASP  24           HA       ASP  24  -2.701  -6.157   5.933
  155   1HB   ASP  24           HB1      ASP  24  -5.130  -6.010   6.426
  156   2HB   ASP  24           HB2      ASP  24  -4.394  -7.411   7.201
  157    H    LYS  25           HN       LYS  25  -3.972  -8.479   3.564
  158    HA   LYS  25           HA       LYS  25  -2.511 -10.752   4.639
  159   2HB   LYS  25           HB1      LYS  25  -3.018 -11.606   2.190
  160   1HB   LYS  25           HB2      LYS  25  -4.066 -10.188   2.132
  161   2HG   LYS  25           HG1      LYS  25  -5.196 -10.959   4.201
  162   1HG   LYS  25           HG2      LYS  25  -4.164 -12.389   4.221
  163   1HD   LYS  25           HD1      LYS  25  -5.751 -11.758   1.749
  164   2HD   LYS  25           HD2      LYS  25  -6.561 -12.508   3.124
  165   2HE   LYS  25           HE1      LYS  25  -4.745 -14.269   3.115
  166   1HE   LYS  25           HE2      LYS  25  -4.164 -13.572   1.603
  167   1HZ   LYS  25           HZ1      LYS  25  -6.303 -13.995   0.600
  168   2HZ   LYS  25           HZ2      LYS  25  -6.909 -14.611   2.064
  169   3HZ   LYS  25           HZ3      LYS  25  -5.676 -15.436   1.237
  170    H    HIS  26           HN       HIS  26  -1.875  -8.253   2.223
  171    HA   HIS  26           HA       HIS  26   0.656  -9.537   1.396
  172   2HB   HIS  26           HB1      HIS  26   0.854  -7.528  -0.082
  173   1HB   HIS  26           HB2      HIS  26  -0.655  -6.925   0.584
  174    HD1  HIS  26           HD1      HIS  26  -2.356  -7.286  -1.220
  175    HD2  HIS  26           HD2      HIS  26   0.101 -10.617  -0.725
  176    HE1  HIS  26           HE1      HIS  26  -3.274  -9.086  -2.746
  177    H    LYS  27           HN       LYS  27  -0.491  -6.940   3.470
  178    HA   LYS  27           HA       LYS  27   0.612  -5.772   5.163
  179   2HB   LYS  27           HB1      LYS  27   3.292  -6.902   4.585
  180   1HB   LYS  27           HB2      LYS  27   2.047  -8.067   5.035
  181   2HG   LYS  27           HG1      LYS  27   2.156  -7.422   7.189
  182   1HG   LYS  27           HG2      LYS  27   1.882  -5.738   6.740
  183   2HD   LYS  27           HD1      LYS  27   4.339  -5.627   6.104
  184   1HD   LYS  27           HD2      LYS  27   4.527  -7.214   6.851
  185   2HE   LYS  27           HE1      LYS  27   3.535  -6.234   8.961
  186   1HE   LYS  27           HE2      LYS  27   3.621  -4.650   8.190
  187   1HZ   LYS  27           HZ1      LYS  27   6.014  -4.998   7.889
  188   2HZ   LYS  27           HZ2      LYS  27   5.902  -6.476   8.719
  189   3HZ   LYS  27           HZ3      LYS  27   5.570  -5.018   9.525
  190    H    TRP  28           HN       TRP  28   0.720  -5.054   2.128
  191    HA   TRP  28           HA       TRP  28   2.469  -2.719   2.548
  192   2HB   TRP  28           HB1      TRP  28   4.055  -4.264   1.553
  193   1HB   TRP  28           HB2      TRP  28   3.643  -3.032   0.368
  194    HD1  TRP  28           HD1      TRP  28   1.293  -3.915  -1.166
  195    HE1  TRP  28           HE1      TRP  28   1.140  -6.157  -2.424
  196    HE3  TRP  28           HE3      TRP  28   4.884  -6.568   1.315
  197    HZ2  TRP  28           HZ2      TRP  28   2.374  -8.735  -2.387
  198    HZ3  TRP  28           HZ3      TRP  28   5.373  -8.913   0.681
  199    HH2  TRP  28           HH2      TRP  28   4.124  -9.999  -1.164
  200    H    CYS  29           HN       CYS  29   2.243  -1.158   0.638
  201    HA   CYS  29           HA       CYS  29  -0.597  -0.838   0.050
  202   2HB   CYS  29           HB1      CYS  29   0.424   1.150  -1.351
  203   1HB   CYS  29           HB2      CYS  29   1.895   0.760  -0.460
  204    H    LYS  30           HN       LYS  30  -1.604  -1.083  -1.951
  205    HA   LYS  30           HA       LYS  30   0.037  -1.902  -4.284
  206   2HB   LYS  30           HB1      LYS  30  -0.424  -4.059  -3.443
  207   1HB   LYS  30           HB2      LYS  30  -1.674  -3.806  -4.659
  208   1HG   LYS  30           HG1      LYS  30  -2.428  -2.835  -1.983
  209   2HG   LYS  30           HG2      LYS  30  -2.134  -4.570  -2.045
  210   2HD   LYS  30           HD1      LYS  30  -3.596  -4.190  -4.332
  211   1HD   LYS  30           HD2      LYS  30  -4.302  -2.977  -3.265
  212   1HE   LYS  30           HE1      LYS  30  -3.832  -5.777  -2.261
  213   2HE   LYS  30           HE2      LYS  30  -5.258  -5.419  -3.234
  214   1HZ   LYS  30           HZ1      LYS  30  -4.537  -3.796  -0.867
  215   2HZ   LYS  30           HZ2      LYS  30  -5.486  -5.199  -0.737
  216   3HZ   LYS  30           HZ3      LYS  30  -6.030  -3.887  -1.668
  217    H    TRP  31           HN       TRP  31  -1.349  -2.050  -6.292
  218    HA   TRP  31           HA       TRP  31  -2.990   0.312  -6.546
  219   2HB   TRP  31           HB1      TRP  31  -3.491  -0.754  -8.853
  220   1HB   TRP  31           HB2      TRP  31  -2.334  -1.997  -8.379
  221    HD1  TRP  31           HD1      TRP  31   0.077  -1.501  -8.982
  222    HE1  TRP  31           HE1      TRP  31   1.451   0.611  -9.525
  223    HE3  TRP  31           HE3      TRP  31  -3.469   2.083  -8.189
  224    HZ2  TRP  31           HZ2      TRP  31   1.093   3.449  -9.613
  225    HZ3  TRP  31           HZ3      TRP  31  -2.928   4.480  -8.510
  226    HH2  TRP  31           HH2      TRP  31  -0.654   5.167  -9.220
  227    H    LYS  32           HN       LYS  32  -5.255   0.394  -7.062
  228    HA   LYS  32           HA       LYS  32  -6.818  -1.757  -5.767
  229   1HB   LYS  32           HB1      LYS  32  -8.649  -0.192  -5.728
  230   2HB   LYS  32           HB2      LYS  32  -7.824   0.874  -6.866
  231   2HG   LYS  32           HG1      LYS  32  -6.090   1.354  -5.221
  232   1HG   LYS  32           HG2      LYS  32  -6.782   0.182  -4.101
  233   2HD   LYS  32           HD1      LYS  32  -7.521   2.383  -3.416
  234   1HD   LYS  32           HD2      LYS  32  -8.907   1.548  -4.117
  235   1HE   LYS  32           HE1      LYS  32  -7.370   2.973  -6.146
  236   2HE   LYS  32           HE2      LYS  32  -7.926   4.058  -4.872
  237   1HZ   LYS  32           HZ1      LYS  32  -9.645   2.147  -6.361
  238   2HZ   LYS  32           HZ2      LYS  32  -9.558   3.818  -6.653
  239   3HZ   LYS  32           HZ3      LYS  32 -10.165   3.243  -5.174
  240    H    LEU  33           HN       LEU  33  -6.446  -0.174  -8.871
  241    HA   LEU  33           HA       LEU  33  -8.230  -2.240 -10.099
  242   2HB   LEU  33           HB1      LEU  33  -8.185  -0.436 -12.040
  243   1HB   LEU  33           HB2      LEU  33  -7.752   0.656 -10.724
  244    HG   LEU  33           HG       LEU  33 -10.047  -1.217 -10.296
  245   1HD1  LEU  33          HD11      LEU  33  -9.347   1.621  -9.496
  246   2HD1  LEU  33          HD12      LEU  33  -9.397   0.197  -8.457
  247   3HD1  LEU  33          HD13      LEU  33 -10.892   0.861  -9.114
  248   1HD2  LEU  33          HD21      LEU  33 -10.432  -0.277 -12.562
  249   2HD2  LEU  33          HD22      LEU  33 -10.231   1.349 -11.910
  250   3HD2  LEU  33          HD23      LEU  33 -11.592   0.354 -11.394

  No H/Q in entry =         250
  Start of MODEL    5
    1    HA   ALA   1           HA       ALA   1  -2.408  12.378   4.312
    2   1HB   ALA   1           HB1      ALA   1  -4.174  13.582   2.991
    3   2HB   ALA   1           HB2      ALA   1  -2.889  14.363   2.069
    4   3HB   ALA   1           HB3      ALA   1  -3.042  14.666   3.799
    5    H1   ALA   1           HT1      ALA   1  -0.616  13.936   3.891
    6    H2   ALA   1           HT2      ALA   1  -0.618  13.534   2.240
    7    H3   ALA   1           HT3      ALA   1  -0.172  12.375   3.400
    8    H    CYS   2           HN       CYS   2  -2.681  10.274   3.761
    9    HA   CYS   2           HA       CYS   2  -3.455   9.609   0.983
   10   1HB   CYS   2           HB1      CYS   2  -0.940   9.360   1.168
   11   2HB   CYS   2           HB2      CYS   2  -1.789   7.879   0.725
   12    H    LYS   3           HN       LYS   3  -3.440   6.818   1.249
   13    HA   LYS   3           HA       LYS   3  -5.761   6.388   2.948
   14   2HB   LYS   3           HB1      LYS   3  -5.404   3.963   2.275
   15   1HB   LYS   3           HB2      LYS   3  -4.008   4.509   1.346
   16   2HG   LYS   3           HG1      LYS   3  -5.310   5.504  -0.259
   17   1HG   LYS   3           HG2      LYS   3  -6.524   6.026   0.908
   18   2HD   LYS   3           HD1      LYS   3  -7.703   4.381  -0.241
   19   1HD   LYS   3           HD2      LYS   3  -7.019   3.432   1.079
   20   2HE   LYS   3           HE1      LYS   3  -5.665   2.257  -0.320
   21   1HE   LYS   3           HE2      LYS   3  -5.237   3.690  -1.255
   22   1HZ   LYS   3           HZ1      LYS   3  -7.070   3.469  -2.607
   23   2HZ   LYS   3           HZ2      LYS   3  -7.938   2.536  -1.484
   24   3HZ   LYS   3           HZ3      LYS   3  -6.648   1.847  -2.346
   25    H    GLY   4           HN       GLY   4  -5.673   4.289   4.384
   26   2HA   GLY   4           HA1      GLY   4  -4.958   3.514   6.494
   27   1HA   GLY   4           HA2      GLY   4  -3.739   4.791   6.503
   28    H    VAL   5           HN       VAL   5  -2.363   2.979   7.353
   29    HA   VAL   5           HA       VAL   5  -0.699   1.890   5.250
   30    HB   VAL   5           HB       VAL   5  -0.614   0.904   8.098
   31   1HG1  VAL   5          HG11      VAL   5   1.113   0.903   5.726
   32   2HG1  VAL   5          HG12      VAL   5   1.156  -0.138   7.148
   33   3HG1  VAL   5          HG13      VAL   5   1.940   1.440   7.187
   34   1HG2  VAL   5          HG21      VAL   5   0.336   3.580   7.030
   35   2HG2  VAL   5          HG22      VAL   5   0.939   2.873   8.527
   36   3HG2  VAL   5          HG23      VAL   5  -0.765   3.298   8.378
   37    H    PHE   6           HN       PHE   6  -0.228  -0.463   5.041
   38    HA   PHE   6           HA       PHE   6  -0.963  -2.611   4.476
   39   2HB   PHE   6           HB1      PHE   6  -2.827  -3.268   6.443
   40   1HB   PHE   6           HB2      PHE   6  -1.790  -2.079   7.231
   41    HD1  PHE   6           HD1      PHE   6   0.842  -2.422   6.532
   42    HD2  PHE   6           HD2      PHE   6  -2.169  -5.484   6.673
   43    HE1  PHE   6           HE1      PHE   6   2.606  -4.144   6.800
   44    HE2  PHE   6           HE2      PHE   6  -0.404  -7.204   6.941
   45    HZ   PHE   6           HZ       PHE   6   1.982  -6.535   7.004
   46    H    ASP   7           HN       ASP   7  -2.409  -0.368   3.305
   47    HA   ASP   7           HA       ASP   7  -5.218  -1.347   3.184
   48   2HB   ASP   7           HB1      ASP   7  -5.135   0.841   1.541
   49   1HB   ASP   7           HB2      ASP   7  -3.863   1.238   2.694
   50    H    ALA   8           HN       ALA   8  -5.775  -2.680   1.544
   51    HA   ALA   8           HA       ALA   8  -4.058  -3.668  -0.430
   52   1HB   ALA   8           HB1      ALA   8  -7.070  -3.372  -0.546
   53   2HB   ALA   8           HB2      ALA   8  -6.172  -4.758   0.073
   54   3HB   ALA   8           HB3      ALA   8  -6.121  -4.371  -1.647
   55    H    CYS   9           HN       CYS   9  -3.256  -2.875  -2.302
   56    HA   CYS   9           HA       CYS   9  -4.660  -0.634  -3.668
   57   2HB   CYS   9           HB1      CYS   9  -3.014   0.510  -2.331
   58   1HB   CYS   9           HB2      CYS   9  -2.408   0.481  -3.986
   59    H    THR  10           HN       THR  10  -3.981  -0.387  -5.918
   60    HA   THR  10           HA       THR  10  -3.094  -2.970  -7.086
   61    HB   THR  10           HB       THR  10  -4.289  -0.516  -8.420
   62    HG1  THR  10           HG1      THR  10  -5.933  -1.361  -7.348
   63   1HG2  THR  10          HG21      THR  10  -4.641  -2.053 -10.330
   64   2HG2  THR  10          HG22      THR  10  -3.786  -3.322  -9.454
   65   3HG2  THR  10          HG23      THR  10  -2.928  -1.866  -9.956
   66    HA   PRO  11           HA       PRO  11   0.882  -1.172  -7.863
   67   2HB   PRO  11           HB1      PRO  11   1.751  -3.302  -7.712
   68   1HB   PRO  11           HB2      PRO  11   1.822  -3.196  -9.479
   69   1HG   PRO  11           HG1      PRO  11   0.386  -5.127  -8.107
   70   2HG   PRO  11           HG2      PRO  11  -0.020  -4.585  -9.744
   71   1HD   PRO  11           HD2      PRO  11  -2.022  -3.873  -8.860
   72   2HD   PRO  11           HD1      PRO  11  -1.431  -4.064  -7.195
   73    H    GLY  12           HN       GLY  12   1.539   0.287  -9.386
   74   2HA   GLY  12           HA1      GLY  12   1.037  -0.069 -12.238
   75   1HA   GLY  12           HA2      GLY  12   1.774   1.345 -11.483
   76    H    LYS  13           HN       LYS  13  -0.710   1.262  -9.572
   77    HA   LYS  13           HA       LYS  13  -2.539   2.713 -11.432
   78   2HB   LYS  13           HB1      LYS  13  -4.215   1.799  -9.465
   79   1HB   LYS  13           HB2      LYS  13  -3.085   0.456  -9.623
   80   2HG   LYS  13           HG1      LYS  13  -4.194  -0.201 -11.468
   81   1HG   LYS  13           HG2      LYS  13  -3.698   1.296 -12.258
   82   2HD   LYS  13           HD1      LYS  13  -5.693   2.406 -11.670
   83   1HD   LYS  13           HD2      LYS  13  -6.065   1.252 -10.390
   84   1HE   LYS  13           HE1      LYS  13  -5.876   0.246 -13.207
   85   2HE   LYS  13           HE2      LYS  13  -7.318   1.143 -12.733
   86   1HZ   LYS  13           HZ1      LYS  13  -6.239  -1.245 -11.332
   87   2HZ   LYS  13           HZ2      LYS  13  -7.585  -1.232 -12.369
   88   3HZ   LYS  13           HZ3      LYS  13  -7.636  -0.386 -10.897
   89    H    ASN  14           HN       ASN  14  -2.092   2.156  -7.965
   90    HA   ASN  14           HA       ASN  14  -2.501   5.081  -7.508
   91   2HB   ASN  14           HB1      ASN  14  -2.643   2.965  -5.361
   92   1HB   ASN  14           HB2      ASN  14  -4.028   3.292  -6.404
   93   1HD2  ASN  14          HD21      ASN  14  -4.829   5.623  -6.406
   94   2HD2  ASN  14          HD22      ASN  14  -4.617   6.553  -5.001
   95    H    GLU  15           HN       GLU  15  -0.943   6.249  -6.393
   96    HA   GLU  15           HA       GLU  15   1.708   4.986  -6.136
   97   2HB   GLU  15           HB1      GLU  15   2.292   7.425  -5.404
   98   1HB   GLU  15           HB2      GLU  15   0.676   7.811  -5.994
   99   2HG   GLU  15           HG1      GLU  15   2.219   8.152  -7.822
  100   1HG   GLU  15           HG2      GLU  15   1.301   6.688  -8.172
  101    H    CYS  16           HN       CYS  16  -0.896   6.081  -4.044
  102    HA   CYS  16           HA       CYS  16  -1.217   5.805  -1.741
  103   2HB   CYS  16           HB1      CYS  16   1.283   4.367  -1.180
  104   1HB   CYS  16           HB2      CYS  16   0.346   3.641  -2.485
  105    H    CYS  17           HN       CYS  17   0.661   5.810   0.371
  106    HA   CYS  17           HA       CYS  17   1.349   8.594   0.515
  107   2HB   CYS  17           HB1      CYS  17   2.919   7.253   2.420
  108   1HB   CYS  17           HB2      CYS  17   1.469   6.264   2.247
  109    HA   PRO  18           HA       PRO  18   5.415   8.730  -1.160
  110   2HB   PRO  18           HB1      PRO  18   5.443  10.988  -0.698
  111   1HB   PRO  18           HB2      PRO  18   6.621  10.527   0.542
  112   1HG   PRO  18           HG1      PRO  18   4.229  11.811   1.090
  113   2HG   PRO  18           HG2      PRO  18   5.076  10.782   2.257
  114   1HD   PRO  18           HD2      PRO  18   3.215   9.434   2.216
  115   2HD   PRO  18           HD1      PRO  18   2.567  10.260   0.783
  116    H    ASN  19           HN       ASN  19   5.327   8.340   2.396
  117    HA   ASN  19           HA       ASN  19   7.963   7.047   2.433
  118   2HB   ASN  19           HB1      ASN  19   7.428   6.729   4.882
  119   1HB   ASN  19           HB2      ASN  19   5.890   7.541   4.584
  120   1HD2  ASN  19          HD21      ASN  19   9.441   8.031   4.469
  121   2HD2  ASN  19          HD22      ASN  19   9.368   9.724   4.562
  122    H    ARG  20           HN       ARG  20   4.787   6.054   1.794
  123    HA   ARG  20           HA       ARG  20   5.404   3.225   2.546
  124   2HB   ARG  20           HB1      ARG  20   2.827   3.013   2.090
  125   1HB   ARG  20           HB2      ARG  20   2.828   4.764   2.298
  126   2HG   ARG  20           HG1      ARG  20   3.741   4.567   4.523
  127   1HG   ARG  20           HG2      ARG  20   4.031   2.841   4.309
  128   1HD   ARG  20           HD1      ARG  20   1.991   3.238   5.646
  129   2HD   ARG  20           HD2      ARG  20   1.597   2.459   4.114
  130    HE   ARG  20           HE       ARG  20   0.620   4.528   3.353
  131   1HH1  ARG  20          HH11      ARG  20   2.628   6.308   4.847
  132   2HH1  ARG  20          HH12      ARG  20   1.588   7.076   5.999
  133   1HH2  ARG  20          HH21      ARG  20  -1.015   4.818   5.553
  134   2HH2  ARG  20          HH22      ARG  20  -0.479   6.231   6.400
  135    H    VAL  21           HN       VAL  21   4.529   1.591   0.931
  136    HA   VAL  21           HA       VAL  21   4.315   2.636  -1.842
  137    HB   VAL  21           HB       VAL  21   5.937   0.768  -2.552
  138   1HG1  VAL  21          HG11      VAL  21   7.160   3.016  -0.935
  139   2HG1  VAL  21          HG12      VAL  21   6.385   3.274  -2.498
  140   3HG1  VAL  21          HG13      VAL  21   7.814   2.247  -2.381
  141   1HG2  VAL  21          HG21      VAL  21   5.902  -0.263  -0.210
  142   2HG2  VAL  21          HG22      VAL  21   6.915   1.088   0.299
  143   3HG2  VAL  21          HG23      VAL  21   7.499  -0.041  -0.924
  144    H    CYS  22           HN       CYS  22   3.339   1.135  -3.314
  145    HA   CYS  22           HA       CYS  22   1.434  -0.678  -2.038
  146   2HB   CYS  22           HB1      CYS  22   1.957  -0.415  -5.008
  147   1HB   CYS  22           HB2      CYS  22   0.997   0.764  -4.116
  148    H    SER  23           HN       SER  23   1.989  -2.716  -1.473
  149    HA   SER  23           HA       SER  23   4.344  -4.008  -2.691
  150   2HB   SER  23           HB1      SER  23   2.474  -5.095  -0.570
  151   1HB   SER  23           HB2      SER  23   3.864  -4.075  -0.214
  152    HG   SER  23           HG       SER  23   4.546  -6.170  -0.054
  153    H    ASP  24           HN       ASP  24   4.275  -5.921  -3.900
  154    HA   ASP  24           HA       ASP  24   1.695  -6.490  -5.233
  155   2HB   ASP  24           HB1      ASP  24   4.192  -7.998  -5.891
  156   1HB   ASP  24           HB2      ASP  24   4.145  -6.281  -6.290
  157    H    LYS  25           HN       LYS  25   4.241  -8.278  -3.455
  158    HA   LYS  25           HA       LYS  25   2.826 -10.783  -3.376
  159   2HB   LYS  25           HB1      LYS  25   4.707  -9.988  -1.179
  160   1HB   LYS  25           HB2      LYS  25   5.346 -10.162  -2.813
  161   1HG   LYS  25           HG1      LYS  25   3.622 -12.308  -1.571
  162   2HG   LYS  25           HG2      LYS  25   5.361 -12.254  -1.281
  163   2HD   LYS  25           HD1      LYS  25   5.790 -12.363  -3.694
  164   1HD   LYS  25           HD2      LYS  25   4.057 -12.334  -4.022
  165   1HE   LYS  25           HE1      LYS  25   5.060 -14.437  -2.155
  166   2HE   LYS  25           HE2      LYS  25   5.441 -14.631  -3.865
  167   1HZ   LYS  25           HZ1      LYS  25   3.324 -15.675  -3.214
  168   2HZ   LYS  25           HZ2      LYS  25   3.128 -14.484  -4.410
  169   3HZ   LYS  25           HZ3      LYS  25   2.712 -14.149  -2.797
  170    H    HIS  26           HN       HIS  26   2.810  -7.917  -1.311
  171    HA   HIS  26           HA       HIS  26   1.062  -9.214   0.686
  172   2HB   HIS  26           HB1      HIS  26   1.094  -6.754   1.587
  173   1HB   HIS  26           HB2      HIS  26   2.407  -6.533   0.438
  174    HD1  HIS  26           HD1      HIS  26   3.864  -9.220   0.699
  175    HD2  HIS  26           HD2      HIS  26   2.481  -7.049   3.978
  176    HE1  HIS  26           HE1      HIS  26   5.229  -9.981   2.690
  177    H    LYS  27           HN       LYS  27   0.840  -7.107  -2.100
  178    HA   LYS  27           HA       LYS  27  -0.999  -6.347  -3.307
  179   2HB   LYS  27           HB1      LYS  27  -3.298  -7.323  -2.180
  180   1HB   LYS  27           HB2      LYS  27  -2.115  -8.517  -1.650
  181   2HG   LYS  27           HG1      LYS  27  -1.878  -9.353  -3.739
  182   1HG   LYS  27           HG2      LYS  27  -1.755  -7.745  -4.452
  183   2HD   LYS  27           HD1      LYS  27  -3.761  -8.477  -5.375
  184   1HD   LYS  27           HD2      LYS  27  -4.348  -7.660  -3.927
  185   2HE   LYS  27           HE1      LYS  27  -3.787 -10.199  -2.991
  186   1HE   LYS  27           HE2      LYS  27  -4.389 -10.521  -4.617
  187   1HZ   LYS  27           HZ1      LYS  27  -6.340  -9.179  -4.120
  188   2HZ   LYS  27           HZ2      LYS  27  -5.761  -8.888  -2.549
  189   3HZ   LYS  27           HZ3      LYS  27  -6.192 -10.462  -3.021
  190    H    TRP  28           HN       TRP  28  -0.094  -5.121  -0.564
  191    HA   TRP  28           HA       TRP  28  -2.239  -3.092  -0.564
  192   2HB   TRP  28           HB1      TRP  28  -3.025  -4.590   1.185
  193   1HB   TRP  28           HB2      TRP  28  -2.427  -3.109   1.920
  194    HD1  TRP  28           HD1      TRP  28   0.431  -3.387   2.508
  195    HE1  TRP  28           HE1      TRP  28   1.459  -5.307   3.883
  196    HE3  TRP  28           HE3      TRP  28  -3.254  -6.891   2.026
  197    HZ2  TRP  28           HZ2      TRP  28   0.804  -7.976   4.678
  198    HZ3  TRP  28           HZ3      TRP  28  -3.027  -9.109   3.105
  199    HH2  TRP  28           HH2      TRP  28  -1.004  -9.656   4.429
  200    H    CYS  29           HN       CYS  29  -1.567  -1.136   0.737
  201    HA   CYS  29           HA       CYS  29   1.169  -0.417   0.104
  202   2HB   CYS  29           HB1      CYS  29   0.563   1.681   1.447
  203   1HB   CYS  29           HB2      CYS  29  -1.036   0.966   1.654
  204    H    LYS  30           HN       LYS  30   2.960  -0.553   1.420
  205    HA   LYS  30           HA       LYS  30   2.520  -1.078   4.328
  206   2HB   LYS  30           HB1      LYS  30   2.941  -3.247   3.317
  207   1HB   LYS  30           HB2      LYS  30   4.363  -2.767   4.241
  208   2HG   LYS  30           HG1      LYS  30   4.948  -1.689   1.797
  209   1HG   LYS  30           HG2      LYS  30   4.034  -3.118   1.319
  210   1HD   LYS  30           HD1      LYS  30   6.270  -3.263   3.348
  211   2HD   LYS  30           HD2      LYS  30   6.576  -3.406   1.618
  212   2HE   LYS  30           HE1      LYS  30   6.206  -5.629   2.018
  213   1HE   LYS  30           HE2      LYS  30   4.514  -5.154   1.881
  214   1HZ   LYS  30           HZ1      LYS  30   5.850  -4.920   4.487
  215   2HZ   LYS  30           HZ2      LYS  30   5.353  -6.455   3.955
  216   3HZ   LYS  30           HZ3      LYS  30   4.215  -5.205   4.134
  217    H    TRP  31           HN       TRP  31   4.662  -0.868   5.556
  218    HA   TRP  31           HA       TRP  31   5.873   1.701   4.871
  219   2HB   TRP  31           HB1      TRP  31   7.275   1.137   6.972
  220   1HB   TRP  31           HB2      TRP  31   6.210  -0.257   7.147
  221    HD1  TRP  31           HD1      TRP  31   4.193   0.181   8.607
  222    HE1  TRP  31           HE1      TRP  31   2.779   2.238   9.251
  223    HE3  TRP  31           HE3      TRP  31   6.520   3.763   5.808
  224    HZ2  TRP  31           HZ2      TRP  31   2.650   5.033   8.656
  225    HZ3  TRP  31           HZ3      TRP  31   5.731   6.110   5.869
  226    HH2  TRP  31           HH2      TRP  31   3.803   6.750   7.286
  227    H    LYS  32           HN       LYS  32   8.141   2.029   4.493
  228    HA   LYS  32           HA       LYS  32   9.409  -0.204   3.036
  229   1HB   LYS  32           HB1      LYS  32  10.955   1.455   2.189
  230   2HB   LYS  32           HB2      LYS  32  10.406   2.633   3.383
  231   2HG   LYS  32           HG1      LYS  32   8.364   2.967   2.304
  232   1HG   LYS  32           HG2      LYS  32   8.414   1.398   1.502
  233   1HD   LYS  32           HD1      LYS  32  10.511   3.452   0.852
  234   2HD   LYS  32           HD2      LYS  32   8.910   3.597   0.128
  235   2HE   LYS  32           HE1      LYS  32   9.551   2.085  -1.417
  236   1HE   LYS  32           HE2      LYS  32   9.613   0.878  -0.133
  237   1HZ   LYS  32           HZ1      LYS  32  11.718   1.055  -1.324
  238   2HZ   LYS  32           HZ2      LYS  32  11.895   1.490   0.309
  239   3HZ   LYS  32           HZ3      LYS  32  11.841   2.691  -0.892
  240    H    LEU  33           HN       LEU  33   9.784   1.615   5.972
  241    HA   LEU  33           HA       LEU  33  12.373   0.289   6.579
  242   2HB   LEU  33           HB1      LEU  33  12.049   1.807   8.725
  243   1HB   LEU  33           HB2      LEU  33  10.890   2.648   7.695
  244    HG   LEU  33           HG       LEU  33  13.454   2.028   6.374
  245   1HD1  LEU  33          HD11      LEU  33  11.662   4.447   6.695
  246   2HD1  LEU  33          HD12      LEU  33  11.875   3.443   5.261
  247   3HD1  LEU  33          HD13      LEU  33  13.181   4.498   5.800
  248   1HD2  LEU  33          HD21      LEU  33  14.731   3.755   7.544
  249   2HD2  LEU  33          HD22      LEU  33  14.211   2.530   8.702
  250   3HD2  LEU  33          HD23      LEU  33  13.365   4.075   8.614

  No H/Q in entry =         250
  Start of MODEL    6
    1    HA   ALA   1           HA       ALA   1  -5.992  11.927   0.622
    2   1HB   ALA   1           HB1      ALA   1  -3.552  12.426   0.900
    3   2HB   ALA   1           HB2      ALA   1  -3.728  12.132   2.631
    4   3HB   ALA   1           HB3      ALA   1  -4.587  13.473   1.872
    5    H1   ALA   1           HT1      ALA   1  -6.758  12.412   2.807
    6    H2   ALA   1           HT2      ALA   1  -5.739  11.242   3.500
    7    H3   ALA   1           HT3      ALA   1  -7.045  10.765   2.524
    8    H    CYS   2           HN       CYS   2  -4.120   9.903   2.930
    9    HA   CYS   2           HA       CYS   2  -4.298   7.650   0.996
   10   1HB   CYS   2           HB1      CYS   2  -2.151   8.831   0.562
   11   2HB   CYS   2           HB2      CYS   2  -1.901   7.197   1.173
   12    H    LYS   3           HN       LYS   3  -3.356   5.590   2.092
   13    HA   LYS   3           HA       LYS   3  -4.583   5.380   4.762
   14   2HB   LYS   3           HB1      LYS   3  -4.044   2.957   4.529
   15   1HB   LYS   3           HB2      LYS   3  -3.235   3.307   3.002
   16   1HG   LYS   3           HG1      LYS   3  -5.937   4.444   3.147
   17   2HG   LYS   3           HG2      LYS   3  -5.926   2.687   3.303
   18   2HD   LYS   3           HD1      LYS   3  -4.148   3.027   1.262
   19   1HD   LYS   3           HD2      LYS   3  -5.232   4.389   0.979
   20   2HE   LYS   3           HE1      LYS   3  -6.577   2.896  -0.069
   21   1HE   LYS   3           HE2      LYS   3  -6.975   2.304   1.544
   22   1HZ   LYS   3           HZ1      LYS   3  -4.734   1.313  -0.136
   23   2HZ   LYS   3           HZ2      LYS   3  -6.225   0.526   0.070
   24   3HZ   LYS   3           HZ3      LYS   3  -5.175   0.721   1.391
   25    H    GLY   4           HN       GLY   4  -3.252   3.888   6.355
   26   2HA   GLY   4           HA1      GLY   4  -1.519   4.227   7.970
   27   1HA   GLY   4           HA2      GLY   4  -0.686   5.278   6.824
   28    H    VAL   5           HN       VAL   5   0.276   2.902   8.386
   29    HA   VAL   5           HA       VAL   5   1.605   1.524   6.127
   30    HB   VAL   5           HB       VAL   5   2.185   0.896   9.006
   31   1HG1  VAL   5          HG11      VAL   5   3.777   1.066   6.438
   32   2HG1  VAL   5          HG12      VAL   5   3.402  -0.379   7.377
   33   3HG1  VAL   5          HG13      VAL   5   4.522   0.822   8.018
   34   1HG2  VAL   5          HG21      VAL   5   3.786   2.818   9.036
   35   2HG2  VAL   5          HG22      VAL   5   2.105   3.346   8.969
   36   3HG2  VAL   5          HG23      VAL   5   3.098   3.378   7.512
   37    H    PHE   6           HN       PHE   6   1.802  -0.849   6.164
   38    HA   PHE   6           HA       PHE   6   0.780  -2.954   6.057
   39   2HB   PHE   6           HB1      PHE   6  -0.423  -2.564   8.760
   40   1HB   PHE   6           HB2      PHE   6   1.331  -2.432   8.634
   41    HD1  PHE   6           HD1      PHE   6  -1.541  -4.675   8.509
   42    HD2  PHE   6           HD2      PHE   6   2.667  -4.341   7.711
   43    HE1  PHE   6           HE1      PHE   6  -1.363  -7.146   8.411
   44    HE2  PHE   6           HE2      PHE   6   2.843  -6.812   7.614
   45    HZ   PHE   6           HZ       PHE   6   0.829  -8.214   7.963
   46    H    ASP   7           HN       ASP   7  -0.783  -0.929   4.860
   47    HA   ASP   7           HA       ASP   7  -3.571  -1.561   5.717
   48   2HB   ASP   7           HB1      ASP   7  -2.713   0.519   3.690
   49   1HB   ASP   7           HB2      ASP   7  -2.810   0.861   5.418
   50    H    ALA   8           HN       ALA   8  -4.307  -3.350   4.677
   51    HA   ALA   8           HA       ALA   8  -3.310  -4.553   2.356
   52   1HB   ALA   8           HB1      ALA   8  -4.955  -5.636   3.830
   53   2HB   ALA   8           HB2      ALA   8  -5.503  -5.669   2.154
   54   3HB   ALA   8           HB3      ALA   8  -6.195  -4.507   3.286
   55    H    CYS   9           HN       CYS   9  -3.183  -3.844   0.309
   56    HA   CYS   9           HA       CYS   9  -5.392  -2.202  -0.821
   57   2HB   CYS   9           HB1      CYS   9  -3.693  -0.593  -0.083
   58   1HB   CYS   9           HB2      CYS   9  -3.731  -0.662  -1.844
   59    H    THR  10           HN       THR  10  -5.049  -1.997  -3.290
   60    HA   THR  10           HA       THR  10  -4.348  -4.678  -4.321
   61    HB   THR  10           HB       THR  10  -5.484  -2.315  -5.848
   62    HG1  THR  10           HG1      THR  10  -7.319  -2.755  -4.959
   63   1HG2  THR  10          HG21      THR  10  -4.600  -4.020  -7.308
   64   2HG2  THR  10          HG22      THR  10  -6.356  -4.181  -7.305
   65   3HG2  THR  10          HG23      THR  10  -5.366  -5.298  -6.364
   66    HA   PRO  11           HA       PRO  11  -0.408  -3.147  -5.676
   67   2HB   PRO  11           HB1      PRO  11   0.431  -5.248  -5.221
   68   1HB   PRO  11           HB2      PRO  11   0.350  -5.450  -6.979
   69   1HG   PRO  11           HG1      PRO  11  -0.998  -7.064  -5.172
   70   2HG   PRO  11           HG2      PRO  11  -1.525  -6.810  -6.844
   71   1HD   PRO  11           HD2      PRO  11  -3.434  -5.876  -5.969
   72   2HD   PRO  11           HD1      PRO  11  -2.732  -5.815  -4.338
   73    H    GLY  12           HN       GLY  12   0.184  -2.044  -7.508
   74   2HA   GLY  12           HA1      GLY  12  -0.986  -2.822 -10.130
   75   1HA   GLY  12           HA2      GLY  12   0.373  -1.720  -9.900
   76    H    LYS  13           HN       LYS  13  -2.333  -1.317  -7.768
   77    HA   LYS  13           HA       LYS  13  -3.544   0.793  -9.464
   78   2HB   LYS  13           HB1      LYS  13  -5.284   0.850  -7.652
   79   1HB   LYS  13           HB2      LYS  13  -4.409  -0.450  -6.842
   80   2HG   LYS  13           HG1      LYS  13  -5.260  -2.007  -8.244
   81   1HG   LYS  13           HG2      LYS  13  -4.870  -1.037  -9.666
   82   2HD   LYS  13           HD1      LYS  13  -6.895   0.261  -9.409
   83   1HD   LYS  13           HD2      LYS  13  -7.240  -0.500  -7.855
   84   2HE   LYS  13           HE1      LYS  13  -7.990  -2.445  -8.826
   85   1HE   LYS  13           HE2      LYS  13  -6.873  -2.321 -10.184
   86   1HZ   LYS  13           HZ1      LYS  13  -8.232  -0.587 -11.130
   87   2HZ   LYS  13           HZ2      LYS  13  -9.285  -0.631  -9.798
   88   3HZ   LYS  13           HZ3      LYS  13  -9.183  -1.962 -10.848
   89    H    ASN  14           HN       ASN  14  -1.412   0.433  -6.788
   90    HA   ASN  14           HA       ASN  14  -0.308   1.977  -5.428
   91   2HB   ASN  14           HB1      ASN  14  -1.252   4.221  -7.191
   92   1HB   ASN  14           HB2      ASN  14  -0.118   3.035  -7.839
   93   1HD2  ASN  14          HD21      ASN  14  -0.530   5.490  -5.271
   94   2HD2  ASN  14          HD22      ASN  14   1.125   5.653  -4.935
   95    H    GLU  15           HN       GLU  15  -2.273   1.362  -4.023
   96    HA   GLU  15           HA       GLU  15  -4.075   3.695  -3.569
   97   1HB   GLU  15           HB1      GLU  15  -5.549   2.190  -2.423
   98   2HB   GLU  15           HB2      GLU  15  -4.307   0.945  -2.317
   99   2HG   GLU  15           HG1      GLU  15  -5.783   0.288  -4.094
  100   1HG   GLU  15           HG2      GLU  15  -4.312   0.883  -4.862
  101    H    CYS  16           HN       CYS  16  -1.931   4.650  -2.681
  102    HA   CYS  16           HA       CYS  16  -2.074   4.682   0.207
  103   2HB   CYS  16           HB1      CYS  16   0.628   3.762  -0.633
  104   1HB   CYS  16           HB2      CYS  16  -0.647   2.544  -0.645
  105    H    CYS  17           HN       CYS  17   0.111   5.887   1.014
  106    HA   CYS  17           HA       CYS  17   0.152   8.430  -0.372
  107   2HB   CYS  17           HB1      CYS  17   2.345   8.357   1.384
  108   1HB   CYS  17           HB2      CYS  17   1.129   7.325   2.135
  109    HA   PRO  18           HA       PRO  18   3.648   7.984  -3.006
  110   2HB   PRO  18           HB1      PRO  18   3.551  10.230  -3.485
  111   1HB   PRO  18           HB2      PRO  18   5.063  10.305  -2.564
  112   1HG   PRO  18           HG1      PRO  18   2.781  11.715  -1.889
  113   2HG   PRO  18           HG2      PRO  18   4.014  11.236  -0.712
  114   1HD   PRO  18           HD2      PRO  18   2.358  10.007   0.307
  115   2HD   PRO  18           HD1      PRO  18   1.276  10.176  -1.091
  116    H    ASN  19           HN       ASN  19   4.519   8.896   0.331
  117    HA   ASN  19           HA       ASN  19   7.275   8.034   0.118
  118   1HB   ASN  19           HB1      ASN  19   7.297   8.224   2.579
  119   2HB   ASN  19           HB2      ASN  19   5.542   8.399   2.579
  120   1HD2  ASN  19          HD21      ASN  19   8.571   9.994   1.525
  121   2HD2  ASN  19          HD22      ASN  19   7.896  11.546   1.394
  122    H    ARG  20           HN       ARG  20   4.256   6.486   0.879
  123    HA   ARG  20           HA       ARG  20   5.625   3.961   1.650
  124   2HB   ARG  20           HB1      ARG  20   3.266   3.190   2.134
  125   1HB   ARG  20           HB2      ARG  20   2.714   4.814   1.723
  126   2HG   ARG  20           HG1      ARG  20   4.477   5.605   3.468
  127   1HG   ARG  20           HG2      ARG  20   4.446   3.934   4.031
  128   2HD   ARG  20           HD1      ARG  20   2.432   4.213   5.025
  129   1HD   ARG  20           HD2      ARG  20   1.761   5.020   3.608
  130    HE   ARG  20           HE       ARG  20   3.495   6.875   4.833
  131   1HH1  ARG  20          HH11      ARG  20   1.045   8.076   4.526
  132   2HH1  ARG  20          HH12      ARG  20   0.226   7.963   6.048
  133   1HH2  ARG  20          HH21      ARG  20   2.274   5.430   7.262
  134   2HH2  ARG  20          HH22      ARG  20   0.924   6.461   7.602
  135    H    VAL  21           HN       VAL  21   4.541   1.923   0.639
  136    HA   VAL  21           HA       VAL  21   3.616   2.371  -2.146
  137    HB   VAL  21           HB       VAL  21   5.277   0.568  -2.901
  138   1HG1  VAL  21          HG11      VAL  21   5.403   3.149  -3.212
  139   2HG1  VAL  21          HG12      VAL  21   6.862   2.200  -3.495
  140   3HG1  VAL  21          HG13      VAL  21   6.663   3.080  -1.980
  141   1HG2  VAL  21          HG21      VAL  21   5.898  -0.124  -0.572
  142   2HG2  VAL  21          HG22      VAL  21   6.681   1.441  -0.353
  143   3HG2  VAL  21          HG23      VAL  21   7.297   0.308  -1.555
  144    H    CYS  22           HN       CYS  22   2.556   0.509  -3.057
  145    HA   CYS  22           HA       CYS  22   1.365  -1.247  -1.004
  146   2HB   CYS  22           HB1      CYS  22   0.147  -2.075  -3.225
  147   1HB   CYS  22           HB2      CYS  22   0.737  -0.532  -3.843
  148    H    SER  23           HN       SER  23   2.092  -3.278  -0.633
  149    HA   SER  23           HA       SER  23   4.274  -4.380  -2.231
  150   2HB   SER  23           HB1      SER  23   2.724  -5.802  -0.057
  151   1HB   SER  23           HB2      SER  23   3.987  -4.627   0.296
  152    HG   SER  23           HG       SER  23   5.156  -6.397   0.173
  153    H    ASP  24           HN       ASP  24   4.204  -6.345  -3.431
  154    HA   ASP  24           HA       ASP  24   1.547  -6.932  -4.613
  155   2HB   ASP  24           HB1      ASP  24   3.223  -8.471  -6.051
  156   1HB   ASP  24           HB2      ASP  24   4.388  -7.292  -5.453
  157    H    LYS  25           HN       LYS  25   4.330  -8.752  -3.266
  158    HA   LYS  25           HA       LYS  25   2.886 -11.259  -3.129
  159   2HB   LYS  25           HB1      LYS  25   4.824 -11.912  -1.605
  160   1HB   LYS  25           HB2      LYS  25   5.450 -10.281  -1.851
  161   2HG   LYS  25           HG1      LYS  25   5.856 -10.645  -4.128
  162   1HG   LYS  25           HG2      LYS  25   4.694 -11.969  -4.225
  163   1HD   LYS  25           HD1      LYS  25   6.731 -12.626  -2.295
  164   2HD   LYS  25           HD2      LYS  25   7.497 -12.150  -3.811
  165   2HE   LYS  25           HE1      LYS  25   5.958 -13.735  -5.009
  166   1HE   LYS  25           HE2      LYS  25   5.370 -14.280  -3.438
  167   1HZ   LYS  25           HZ1      LYS  25   7.674 -14.863  -2.863
  168   2HZ   LYS  25           HZ2      LYS  25   8.162 -14.444  -4.436
  169   3HZ   LYS  25           HZ3      LYS  25   7.094 -15.742  -4.193
  170    H    HIS  26           HN       HIS  26   3.317  -8.544  -0.915
  171    HA   HIS  26           HA       HIS  26   2.092 -10.023   1.332
  172   2HB   HIS  26           HB1      HIS  26   2.351  -7.811   2.513
  173   1HB   HIS  26           HB2      HIS  26   3.077  -7.172   1.044
  174    HD1  HIS  26           HD1      HIS  26   5.311  -6.862   2.465
  175    HD2  HIS  26           HD2      HIS  26   4.115 -10.816   1.903
  176    HE1  HIS  26           HE1      HIS  26   7.305  -8.306   3.060
  177    H    LYS  27           HN       LYS  27   1.249  -7.574  -1.061
  178    HA   LYS  27           HA       LYS  27  -0.839  -6.837  -1.791
  179   2HB   LYS  27           HB1      LYS  27  -2.553  -8.234   0.101
  180   1HB   LYS  27           HB2      LYS  27  -1.394  -9.328  -0.655
  181   2HG   LYS  27           HG1      LYS  27  -2.115  -7.999  -2.848
  182   1HG   LYS  27           HG2      LYS  27  -3.577  -7.706  -1.905
  183   2HD   LYS  27           HD1      LYS  27  -3.918 -10.091  -1.599
  184   1HD   LYS  27           HD2      LYS  27  -2.367 -10.451  -2.358
  185   1HE   LYS  27           HE1      LYS  27  -4.454  -8.877  -3.855
  186   2HE   LYS  27           HE2      LYS  27  -4.554 -10.636  -3.788
  187   1HZ   LYS  27           HZ1      LYS  27  -2.221  -9.065  -4.745
  188   2HZ   LYS  27           HZ2      LYS  27  -3.319  -9.914  -5.723
  189   3HZ   LYS  27           HZ3      LYS  27  -2.298 -10.757  -4.659
  190    H    TRP  28           HN       TRP  28   0.619  -5.787   0.767
  191    HA   TRP  28           HA       TRP  28  -1.658  -4.042   1.556
  192   1HB   TRP  28           HB1      TRP  28  -1.384  -5.744   3.349
  193   2HB   TRP  28           HB2      TRP  28  -1.058  -4.111   3.913
  194    HD1  TRP  28           HD1      TRP  28   1.754  -3.466   3.665
  195    HE1  TRP  28           HE1      TRP  28   3.697  -4.917   4.532
  196    HE3  TRP  28           HE3      TRP  28  -0.594  -7.989   3.976
  197    HZ2  TRP  28           HZ2      TRP  28   4.191  -7.634   5.268
  198    HZ3  TRP  28           HZ3      TRP  28   0.635  -9.989   4.768
  199    HH2  TRP  28           HH2      TRP  28   3.023  -9.818   5.414
  200    H    CYS  29           HN       CYS  29  -0.983  -1.942   2.353
  201    HA   CYS  29           HA       CYS  29   1.278  -0.859   0.917
  202   2HB   CYS  29           HB1      CYS  29  -0.358   0.410   3.136
  203   1HB   CYS  29           HB2      CYS  29  -0.802   0.428   1.430
  204    H    LYS  30           HN       LYS  30   3.361  -0.608   1.624
  205    HA   LYS  30           HA       LYS  30   3.916  -0.721   4.542
  206   2HB   LYS  30           HB1      LYS  30   4.369  -2.967   4.137
  207   1HB   LYS  30           HB2      LYS  30   5.950  -2.248   3.847
  208   1HG   LYS  30           HG1      LYS  30   3.992  -2.582   1.577
  209   2HG   LYS  30           HG2      LYS  30   4.998  -3.933   2.095
  210   2HD   LYS  30           HD1      LYS  30   6.959  -2.208   1.917
  211   1HD   LYS  30           HD2      LYS  30   5.836  -1.299   0.905
  212   2HE   LYS  30           HE1      LYS  30   5.530  -3.345  -0.504
  213   1HE   LYS  30           HE2      LYS  30   6.761  -4.155   0.464
  214   1HZ   LYS  30           HZ1      LYS  30   7.051  -1.944  -1.445
  215   2HZ   LYS  30           HZ2      LYS  30   8.010  -3.331  -1.245
  216   3HZ   LYS  30           HZ3      LYS  30   8.137  -2.043  -0.146
  217    H    TRP  31           HN       TRP  31   6.255  -0.129   4.985
  218    HA   TRP  31           HA       TRP  31   6.923   2.299   3.547
  219   2HB   TRP  31           HB1      TRP  31   9.044   2.062   5.086
  220   1HB   TRP  31           HB2      TRP  31   8.109   0.779   5.854
  221    HD1  TRP  31           HD1      TRP  31   6.665   1.585   7.775
  222    HE1  TRP  31           HE1      TRP  31   5.516   3.799   8.429
  223    HE3  TRP  31           HE3      TRP  31   7.930   4.451   3.751
  224    HZ2  TRP  31           HZ2      TRP  31   5.180   6.441   7.379
  225    HZ3  TRP  31           HZ3      TRP  31   7.189   6.808   3.602
  226    HH2  TRP  31           HH2      TRP  31   5.815   7.808   5.408
  227    H    LYS  32           HN       LYS  32   9.253   2.639   2.792
  228    HA   LYS  32           HA       LYS  32   9.993   0.388   1.007
  229   1HB   LYS  32           HB1      LYS  32  11.095   2.000  -0.362
  230   2HB   LYS  32           HB2      LYS  32  11.101   3.196   0.934
  231   2HG   LYS  32           HG1      LYS  32   8.665   3.377   0.823
  232   1HG   LYS  32           HG2      LYS  32   8.599   2.096  -0.387
  233   1HD   LYS  32           HD1      LYS  32  10.284   4.537  -0.890
  234   2HD   LYS  32           HD2      LYS  32   8.542   4.610  -1.157
  235   2HE   LYS  32           HE1      LYS  32   8.679   2.703  -2.696
  236   1HE   LYS  32           HE2      LYS  32  10.409   2.557  -2.389
  237   1HZ   LYS  32           HZ1      LYS  32   9.913   3.777  -4.439
  238   2HZ   LYS  32           HZ2      LYS  32  10.755   4.734  -3.316
  239   3HZ   LYS  32           HZ3      LYS  32   9.085   4.953  -3.541
  240    H    LEU  33           HN       LEU  33  11.190   2.279   3.667
  241    HA   LEU  33           HA       LEU  33  13.443   0.398   3.993
  242   2HB   LEU  33           HB1      LEU  33  14.094   3.328   4.148
  243   1HB   LEU  33           HB2      LEU  33  14.091   2.527   2.576
  244    HG   LEU  33           HG       LEU  33  15.563   1.306   4.905
  245   1HD1  LEU  33          HD11      LEU  33  15.179   0.015   2.804
  246   2HD1  LEU  33          HD12      LEU  33  16.890   0.308   3.112
  247   3HD1  LEU  33          HD13      LEU  33  16.034   1.271   1.908
  248   1HD2  LEU  33          HD21      LEU  33  16.552   3.479   3.031
  249   2HD2  LEU  33          HD22      LEU  33  17.607   2.494   4.046
  250   3HD2  LEU  33          HD23      LEU  33  16.428   3.575   4.788

  No H/Q in entry =         250
  Start of MODEL    7
    1    HA   ALA   1           HA       ALA   1   1.446  13.592   1.456
    2   1HB   ALA   1           HB1      ALA   1  -0.863  14.371   1.106
    3   2HB   ALA   1           HB2      ALA   1  -0.590  14.424  -0.636
    4   3HB   ALA   1           HB3      ALA   1   0.285  15.525   0.428
    5    H1   ALA   1           HT1      ALA   1   2.794  13.036  -0.476
    6    H2   ALA   1           HT2      ALA   1   2.437  14.696  -0.440
    7    H3   ALA   1           HT3      ALA   1   1.608  13.669  -1.510
    8    H    CYS   2           HN       CYS   2   1.018  11.560   2.137
    9    HA   CYS   2           HA       CYS   2  -0.812   9.840   0.564
   10   2HB   CYS   2           HB1      CYS   2   1.386   9.214  -0.292
   11   1HB   CYS   2           HB2      CYS   2   0.770   7.913   0.727
   12    H    LYS   3           HN       LYS   3  -1.144   7.689   1.898
   13    HA   LYS   3           HA       LYS   3  -2.005   8.478   4.566
   14   2HB   LYS   3           HB1      LYS   3  -2.594   5.977   4.710
   15   1HB   LYS   3           HB2      LYS   3  -2.053   5.872   3.035
   16   1HG   LYS   3           HG1      LYS   3  -3.860   8.134   3.510
   17   2HG   LYS   3           HG2      LYS   3  -4.607   6.577   3.869
   18   2HD   LYS   3           HD1      LYS   3  -4.427   5.837   1.678
   19   1HD   LYS   3           HD2      LYS   3  -3.020   6.846   1.342
   20   2HE   LYS   3           HE1      LYS   3  -4.454   8.853   1.356
   21   1HE   LYS   3           HE2      LYS   3  -5.861   7.851   1.711
   22   1HZ   LYS   3           HZ1      LYS   3  -5.542   6.693  -0.369
   23   2HZ   LYS   3           HZ2      LYS   3  -4.148   7.606  -0.705
   24   3HZ   LYS   3           HZ3      LYS   3  -5.670   8.360  -0.654
   25    H    GLY   4           HN       GLY   4  -1.490   6.625   6.353
   26   2HA   GLY   4           HA1      GLY   4   0.213   6.172   7.942
   27   1HA   GLY   4           HA2      GLY   4   1.400   6.834   6.818
   28    H    VAL   5           HN       VAL   5   1.315   4.244   8.378
   29    HA   VAL   5           HA       VAL   5   2.115   2.497   6.128
   30    HB   VAL   5           HB       VAL   5   2.278   1.686   9.021
   31   1HG1  VAL   5          HG11      VAL   5   3.016  -0.027   7.599
   32   2HG1  VAL   5          HG12      VAL   5   4.518   0.799   8.011
   33   3HG1  VAL   5          HG13      VAL   5   3.743   1.102   6.457
   34   1HG2  VAL   5          HG21      VAL   5   3.852   3.828   7.621
   35   2HG2  VAL   5          HG22      VAL   5   4.680   2.781   8.773
   36   3HG2  VAL   5          HG23      VAL   5   3.311   3.759   9.298
   37    H    PHE   6           HN       PHE   6   1.418   0.199   6.157
   38    HA   PHE   6           HA       PHE   6  -0.274  -1.400   6.014
   39   2HB   PHE   6           HB1      PHE   6  -1.866  -1.097   8.232
   40   1HB   PHE   6           HB2      PHE   6  -0.375  -0.311   8.751
   41    HD1  PHE   6           HD1      PHE   6  -2.038  -3.421   8.412
   42    HD2  PHE   6           HD2      PHE   6   1.851  -1.614   8.145
   43    HE1  PHE   6           HE1      PHE   6  -0.983  -5.641   8.733
   44    HE2  PHE   6           HE2      PHE   6   2.904  -3.835   8.467
   45    HZ   PHE   6           HZ       PHE   6   1.488  -5.848   8.761
   46    H    ASP   7           HN       ASP   7  -0.773   1.148   4.711
   47    HA   ASP   7           HA       ASP   7  -3.653   1.676   5.135
   48   2HB   ASP   7           HB1      ASP   7  -1.566   2.902   3.309
   49   1HB   ASP   7           HB2      ASP   7  -2.313   3.636   4.727
   50    H    ALA   8           HN       ALA   8  -5.031   0.258   4.183
   51    HA   ALA   8           HA       ALA   8  -4.393  -1.618   2.173
   52   1HB   ALA   8           HB1      ALA   8  -7.074  -0.369   2.832
   53   2HB   ALA   8           HB2      ALA   8  -6.405  -1.847   3.523
   54   3HB   ALA   8           HB3      ALA   8  -6.858  -1.796   1.819
   55    H    CYS   9           HN       CYS   9  -3.828  -1.283   0.100
   56    HA   CYS   9           HA       CYS   9  -5.276   0.708  -1.533
   57   1HB   CYS   9           HB1      CYS   9  -3.380   1.985  -0.595
   58   2HB   CYS   9           HB2      CYS   9  -3.197   1.765  -2.334
   59    H    THR  10           HN       THR  10  -5.215   0.201  -3.760
   60    HA   THR  10           HA       THR  10  -4.332  -2.552  -4.373
   61    HB   THR  10           HB       THR  10  -5.829  -0.552  -6.103
   62    HG1  THR  10           HG1      THR  10  -7.313  -0.987  -4.674
   63   1HG2  THR  10          HG21      THR  10  -4.707  -2.379  -7.349
   64   2HG2  THR  10          HG22      THR  10  -6.463  -2.526  -7.413
   65   3HG2  THR  10          HG23      THR  10  -5.530  -3.561  -6.330
   66    HA   PRO  11           HA       PRO  11  -0.648  -1.086  -6.346
   67   2HB   PRO  11           HB1      PRO  11   0.279  -3.152  -5.908
   68   1HB   PRO  11           HB2      PRO  11  -0.009  -3.440  -7.633
   69   1HG   PRO  11           HG1      PRO  11  -1.097  -4.987  -5.612
   70   2HG   PRO  11           HG2      PRO  11  -1.841  -4.804  -7.209
   71   1HD   PRO  11           HD2      PRO  11  -3.634  -3.872  -6.108
   72   2HD   PRO  11           HD1      PRO  11  -2.708  -3.701  -4.601
   73    H    GLY  12           HN       GLY  12  -0.465   0.077  -8.203
   74   2HA   GLY  12           HA1      GLY  12  -1.487  -0.907 -10.768
   75   1HA   GLY  12           HA2      GLY  12  -0.667   0.633 -10.497
   76    H    LYS  13           HN       LYS  13  -2.750   0.859  -8.117
   77    HA   LYS  13           HA       LYS  13  -4.905   2.057  -9.791
   78   2HB   LYS  13           HB1      LYS  13  -6.092   1.249  -7.372
   79   1HB   LYS  13           HB2      LYS  13  -5.121  -0.124  -7.900
   80   2HG   LYS  13           HG1      LYS  13  -7.145  -0.501  -9.005
   81   1HG   LYS  13           HG2      LYS  13  -6.208   0.347 -10.236
   82   2HD   LYS  13           HD1      LYS  13  -7.252   2.505  -9.281
   83   1HD   LYS  13           HD2      LYS  13  -8.390   1.442  -8.453
   84   2HE   LYS  13           HE1      LYS  13  -8.746   0.376 -10.803
   85   1HE   LYS  13           HE2      LYS  13  -8.001   1.852 -11.415
   86   1HZ   LYS  13           HZ1      LYS  13 -10.433   1.652  -9.726
   87   2HZ   LYS  13           HZ2      LYS  13 -10.351   2.155 -11.347
   88   3HZ   LYS  13           HZ3      LYS  13  -9.669   3.114 -10.121
   89    H    ASN  14           HN       ASN  14  -3.949   1.803  -6.398
   90    HA   ASN  14           HA       ASN  14  -4.360   4.743  -6.100
   91   2HB   ASN  14           HB1      ASN  14  -4.411   4.240  -3.647
   92   1HB   ASN  14           HB2      ASN  14  -4.234   2.527  -4.030
   93   1HD2  ASN  14          HD21      ASN  14  -6.053   1.483  -5.221
   94   2HD2  ASN  14          HD22      ASN  14  -7.602   2.176  -5.184
   95    H    GLU  15           HN       GLU  15  -2.598   6.027  -5.777
   96    HA   GLU  15           HA       GLU  15   0.071   4.819  -5.748
   97   2HB   GLU  15           HB1      GLU  15   0.791   7.271  -5.612
   98   1HB   GLU  15           HB2      GLU  15  -0.922   7.679  -5.719
   99   2HG   GLU  15           HG1      GLU  15   0.002   7.742  -7.958
  100   1HG   GLU  15           HG2      GLU  15  -1.031   6.318  -7.841
  101    H    CYS  16           HN       CYS  16   1.216   4.355  -3.948
  102    HA   CYS  16           HA       CYS  16   0.173   5.267  -1.319
  103   2HB   CYS  16           HB1      CYS  16   2.461   3.492  -1.173
  104   1HB   CYS  16           HB2      CYS  16   1.235   2.831  -2.255
  105    H    CYS  17           HN       CYS  17   2.416   5.225   0.250
  106    HA   CYS  17           HA       CYS  17   3.638   7.772  -0.261
  107   2HB   CYS  17           HB1      CYS  17   5.156   7.119   1.636
  108   1HB   CYS  17           HB2      CYS  17   4.419   5.520   1.614
  109    HA   PRO  18           HA       PRO  18   7.138   6.720  -2.718
  110   2HB   PRO  18           HB1      PRO  18   7.731   8.946  -2.706
  111   1HB   PRO  18           HB2      PRO  18   9.053   8.393  -1.663
  112   1HG   PRO  18           HG1      PRO  18   7.172  10.276  -0.899
  113   2HG   PRO  18           HG2      PRO  18   8.045   9.245   0.248
  114   1HD   PRO  18           HD2      PRO  18   5.992   8.395   0.834
  115   2HD   PRO  18           HD1      PRO  18   5.204   9.141  -0.572
  116    H    ASN  19           HN       ASN  19   7.562   6.613   0.794
  117    HA   ASN  19           HA       ASN  19   9.955   4.903   0.575
  118   2HB   ASN  19           HB1      ASN  19   9.846   4.945   3.092
  119   1HB   ASN  19           HB2      ASN  19   8.424   5.979   2.957
  120   1HD2  ASN  19          HD21      ASN  19  11.800   6.066   3.245
  121   2HD2  ASN  19          HD22      ASN  19  12.060   7.648   2.689
  122    H    ARG  20           HN       ARG  20   6.550   4.558   0.831
  123    HA   ARG  20           HA       ARG  20   6.828   1.702   1.672
  124   2HB   ARG  20           HB1      ARG  20   4.206   2.044   1.875
  125   1HB   ARG  20           HB2      ARG  20   4.656   3.745   1.985
  126   2HG   ARG  20           HG1      ARG  20   6.354   2.983   3.776
  127   1HG   ARG  20           HG2      ARG  20   5.445   1.473   3.810
  128   2HD   ARG  20           HD1      ARG  20   3.904   2.431   5.139
  129   1HD   ARG  20           HD2      ARG  20   3.573   3.633   3.893
  130    HE   ARG  20           HE       ARG  20   5.357   3.995   6.215
  131   1HH1  ARG  20          HH11      ARG  20   6.627   5.073   3.674
  132   2HH1  ARG  20          HH12      ARG  20   6.066   6.711   3.678
  133   1HH2  ARG  20          HH21      ARG  20   3.566   6.126   6.022
  134   2HH2  ARG  20          HH22      ARG  20   4.327   7.309   5.012
  135    H    VAL  21           HN       VAL  21   4.950   0.327   0.609
  136    HA   VAL  21           HA       VAL  21   4.433   1.150  -2.200
  137    HB   VAL  21           HB       VAL  21   5.218  -1.041  -3.054
  138   1HG1  VAL  21          HG11      VAL  21   7.608  -0.579  -2.912
  139   2HG1  VAL  21          HG12      VAL  21   7.361   0.411  -1.473
  140   3HG1  VAL  21          HG13      VAL  21   6.730   0.946  -3.030
  141   1HG2  VAL  21          HG21      VAL  21   6.541  -2.515  -1.610
  142   2HG2  VAL  21          HG22      VAL  21   4.938  -2.292  -0.915
  143   3HG2  VAL  21          HG23      VAL  21   6.317  -1.420  -0.247
  144    H    CYS  22           HN       CYS  22   2.691  -0.055  -3.189
  145    HA   CYS  22           HA       CYS  22   0.712  -1.022  -1.241
  146   2HB   CYS  22           HB1      CYS  22  -0.639  -1.385  -3.431
  147   1HB   CYS  22           HB2      CYS  22   0.686  -0.533  -4.223
  148    H    SER  23           HN       SER  23   1.282  -3.031  -0.469
  149    HA   SER  23           HA       SER  23   2.541  -5.081  -2.061
  150   2HB   SER  23           HB1      SER  23   0.983  -5.405   0.518
  151   1HB   SER  23           HB2      SER  23   2.674  -4.923   0.437
  152    HG   SER  23           HG       SER  23   3.248  -6.867  -0.275
  153    H    ASP  24           HN       ASP  24   1.639  -6.973  -2.950
  154    HA   ASP  24           HA       ASP  24  -1.215  -6.757  -3.704
  155   2HB   ASP  24           HB1      ASP  24   0.649  -8.959  -4.582
  156   1HB   ASP  24           HB2      ASP  24   0.769  -7.350  -5.296
  157    H    LYS  25           HN       LYS  25   0.988  -9.127  -2.168
  158    HA   LYS  25           HA       LYS  25  -1.128 -10.988  -1.491
  159   2HB   LYS  25           HB1      LYS  25   0.715 -11.816   0.166
  160   1HB   LYS  25           HB2      LYS  25   1.750 -10.655  -0.663
  161   2HG   LYS  25           HG1      LYS  25   2.117 -12.351  -2.135
  162   1HG   LYS  25           HG2      LYS  25   0.530 -11.926  -2.775
  163   2HD   LYS  25           HD1      LYS  25  -0.542 -13.661  -1.586
  164   1HD   LYS  25           HD2      LYS  25   0.804 -13.843  -0.461
  165   2HE   LYS  25           HE1      LYS  25   2.208 -14.757  -2.244
  166   1HE   LYS  25           HE2      LYS  25   0.925 -14.490  -3.424
  167   1HZ   LYS  25           HZ1      LYS  25   0.699 -16.252  -1.043
  168   2HZ   LYS  25           HZ2      LYS  25   1.012 -16.791  -2.623
  169   3HZ   LYS  25           HZ3      LYS  25  -0.469 -16.044  -2.255
  170    H    HIS  26           HN       HIS  26   0.370  -8.231   0.131
  171    HA   HIS  26           HA       HIS  26  -1.100  -8.754   2.641
  172   2HB   HIS  26           HB1      HIS  26   0.014  -6.604   3.354
  173   1HB   HIS  26           HB2      HIS  26   0.794  -6.553   1.780
  174    HD1  HIS  26           HD1      HIS  26   3.145  -7.323   2.070
  175    HD2  HIS  26           HD2      HIS  26   0.497  -9.606   4.341
  176    HE1  HIS  26           HE1      HIS  26   4.526  -9.137   3.171
  177    H    LYS  27           HN       LYS  27  -1.280  -6.685  -0.200
  178    HA   LYS  27           HA       LYS  27  -2.985  -5.311  -0.995
  179   2HB   LYS  27           HB1      LYS  27  -5.248  -5.524   0.084
  180   1HB   LYS  27           HB2      LYS  27  -4.528  -6.615   1.265
  181   1HG   LYS  27           HG1      LYS  27  -3.845  -7.326  -1.495
  182   2HG   LYS  27           HG2      LYS  27  -5.583  -7.355  -1.197
  183   2HD   LYS  27           HD1      LYS  27  -5.234  -8.820   0.751
  184   1HD   LYS  27           HD2      LYS  27  -3.491  -8.765   0.492
  185   2HE   LYS  27           HE1      LYS  27  -3.891 -10.680  -0.694
  186   1HE   LYS  27           HE2      LYS  27  -4.312  -9.544  -1.975
  187   1HZ   LYS  27           HZ1      LYS  27  -6.055 -11.158  -1.711
  188   2HZ   LYS  27           HZ2      LYS  27  -6.626  -9.639  -1.207
  189   3HZ   LYS  27           HZ3      LYS  27  -6.191 -10.812  -0.056
  190    H    TRP  28           HN       TRP  28  -1.107  -4.465   1.311
  191    HA   TRP  28           HA       TRP  28  -2.580  -1.953   1.863
  192   1HB   TRP  28           HB1      TRP  28  -2.968  -3.367   3.852
  193   2HB   TRP  28           HB2      TRP  28  -1.997  -1.954   4.239
  194    HD1  TRP  28           HD1      TRP  28   0.861  -2.642   3.818
  195    HE1  TRP  28           HE1      TRP  28   2.044  -4.612   4.977
  196    HE3  TRP  28           HE3      TRP  28  -3.185  -5.521   5.010
  197    HZ2  TRP  28           HZ2      TRP  28   1.368  -7.082   6.248
  198    HZ3  TRP  28           HZ3      TRP  28  -2.885  -7.675   6.198
  199    HH2  TRP  28           HH2      TRP  28  -0.616  -8.458   6.818
  200    H    CYS  29           HN       CYS  29  -1.008  -0.318   2.934
  201    HA   CYS  29           HA       CYS  29   1.358  -0.149   1.244
  202   2HB   CYS  29           HB1      CYS  29   1.126   1.703   3.544
  203   1HB   CYS  29           HB2      CYS  29  -0.244   1.716   2.433
  204    H    LYS  30           HN       LYS  30   3.294  -1.032   1.743
  205    HA   LYS  30           HA       LYS  30   3.956  -1.467   4.630
  206   2HB   LYS  30           HB1      LYS  30   3.487  -3.628   3.635
  207   1HB   LYS  30           HB2      LYS  30   5.228  -3.497   3.878
  208   2HG   LYS  30           HG1      LYS  30   4.741  -2.409   1.322
  209   1HG   LYS  30           HG2      LYS  30   3.749  -3.864   1.411
  210   2HD   LYS  30           HD1      LYS  30   6.039  -4.797   2.515
  211   1HD   LYS  30           HD2      LYS  30   6.705  -3.574   1.433
  212   2HE   LYS  30           HE1      LYS  30   5.306  -4.586  -0.418
  213   1HE   LYS  30           HE2      LYS  30   4.903  -5.896   0.691
  214   1HZ   LYS  30           HZ1      LYS  30   7.678  -5.122  -0.024
  215   2HZ   LYS  30           HZ2      LYS  30   6.815  -6.374  -0.781
  216   3HZ   LYS  30           HZ3      LYS  30   7.194  -6.479   0.872
  217    H    TRP  31           HN       TRP  31   6.211  -1.275   5.165
  218    HA   TRP  31           HA       TRP  31   7.591   0.859   3.886
  219   2HB   TRP  31           HB1      TRP  31   9.597  -0.106   5.233
  220   1HB   TRP  31           HB2      TRP  31   8.419  -1.254   5.870
  221    HD1  TRP  31           HD1      TRP  31   7.118  -0.473   7.906
  222    HE1  TRP  31           HE1      TRP  31   6.623   1.798   9.020
  223    HE3  TRP  31           HE3      TRP  31   9.259   2.659   4.494
  224    HZ2  TRP  31           HZ2      TRP  31   7.077   4.580   8.528
  225    HZ3  TRP  31           HZ3      TRP  31   9.216   5.116   4.843
  226    HH2  TRP  31           HH2      TRP  31   8.128   6.078   6.850
  227    H    LYS  32           HN       LYS  32   9.275   0.891   2.396
  228    HA   LYS  32           HA       LYS  32  10.656  -1.460   1.483
  229   2HB   LYS  32           HB1      LYS  32   9.423  -0.685  -0.939
  230   1HB   LYS  32           HB2      LYS  32   8.118  -0.871   0.237
  231   2HG   LYS  32           HG1      LYS  32   8.558  -3.110   0.564
  232   1HG   LYS  32           HG2      LYS  32  10.275  -2.932   0.205
  233   1HD   LYS  32           HD1      LYS  32   8.326  -2.425  -2.009
  234   2HD   LYS  32           HD2      LYS  32   8.602  -4.099  -1.528
  235   2HE   LYS  32           HE1      LYS  32  10.639  -4.125  -2.507
  236   1HE   LYS  32           HE2      LYS  32  11.101  -2.607  -1.738
  237   1HZ   LYS  32           HZ1      LYS  32   9.857  -1.412  -3.429
  238   2HZ   LYS  32           HZ2      LYS  32   9.417  -2.876  -4.171
  239   3HZ   LYS  32           HZ3      LYS  32  11.045  -2.391  -4.140
  240    H    LEU  33           HN       LEU  33  12.437  -0.152   1.795
  241    HA   LEU  33           HA       LEU  33  12.678   2.308   0.129
  242   2HB   LEU  33           HB1      LEU  33  14.989   2.099   1.675
  243   1HB   LEU  33           HB2      LEU  33  13.726   1.470   2.729
  244    HG   LEU  33           HG       LEU  33  13.962   3.903   3.013
  245   1HD1  LEU  33          HD11      LEU  33  14.798   4.301   0.666
  246   2HD1  LEU  33          HD12      LEU  33  13.566   5.445   1.197
  247   3HD1  LEU  33          HD13      LEU  33  13.135   4.128   0.105
  248   1HD2  LEU  33          HD21      LEU  33  11.444   4.150   1.681
  249   2HD2  LEU  33          HD22      LEU  33  11.744   3.895   3.399
  250   3HD2  LEU  33          HD23      LEU  33  11.555   2.512   2.324

  No H/Q in entry =         250
  Start of MODEL    8
    1    HA   ALA   1           HA       ALA   1  -2.273   9.924  -9.205
    2   1HB   ALA   1           HB1      ALA   1  -0.406   8.616 -10.116
    3   2HB   ALA   1           HB2      ALA   1   0.696   9.348  -8.950
    4   3HB   ALA   1           HB3      ALA   1  -0.039  10.338 -10.211
    5    H1   ALA   1           HT1      ALA   1  -1.100  11.874  -8.531
    6    H2   ALA   1           HT2      ALA   1  -0.191  11.009  -7.385
    7    H3   ALA   1           HT3      ALA   1  -1.862  11.225  -7.162
    8    H    CYS   2           HN       CYS   2   0.246   8.921  -6.839
    9    HA   CYS   2           HA       CYS   2  -1.330   6.499  -6.206
   10   1HB   CYS   2           HB1      CYS   2   1.214   6.525  -6.487
   11   2HB   CYS   2           HB2      CYS   2   0.604   5.735  -5.034
   12    H    LYS   3           HN       LYS   3  -1.428   5.953  -3.749
   13    HA   LYS   3           HA       LYS   3  -2.777   8.204  -2.403
   14   2HB   LYS   3           HB1      LYS   3  -3.343   6.493  -0.682
   15   1HB   LYS   3           HB2      LYS   3  -2.373   5.315  -1.567
   16   2HG   LYS   3           HG1      LYS   3  -3.827   5.517  -3.514
   17   1HG   LYS   3           HG2      LYS   3  -4.732   6.821  -2.745
   18   2HD   LYS   3           HD1      LYS   3  -4.721   4.638  -0.924
   19   1HD   LYS   3           HD2      LYS   3  -5.124   3.979  -2.510
   20   2HE   LYS   3           HE1      LYS   3  -6.668   6.193  -2.552
   21   1HE   LYS   3           HE2      LYS   3  -6.630   5.909  -0.813
   22   1HZ   LYS   3           HZ1      LYS   3  -8.468   4.733  -1.785
   23   2HZ   LYS   3           HZ2      LYS   3  -7.318   3.605  -1.244
   24   3HZ   LYS   3           HZ3      LYS   3  -7.450   3.962  -2.901
   25    H    GLY   4           HN       GLY   4  -2.313   8.152   0.153
   26   2HA   GLY   4           HA1      GLY   4  -0.749   9.082   1.674
   27   1HA   GLY   4           HA2      GLY   4   0.501   8.930   0.440
   28    H    VAL   5           HN       VAL   5   0.858   8.179   3.159
   29    HA   VAL   5           HA       VAL   5   1.565   5.329   2.794
   30    HB   VAL   5           HB       VAL   5   2.205   6.766   5.333
   31   1HG1  VAL   5          HG11      VAL   5   3.573   4.802   3.487
   32   2HG1  VAL   5          HG12      VAL   5   3.026   4.540   5.143
   33   3HG1  VAL   5          HG13      VAL   5   4.417   5.577   4.829
   34   1HG2  VAL   5          HG21      VAL   5   3.201   7.546   2.609
   35   2HG2  VAL   5          HG22      VAL   5   4.330   7.575   3.963
   36   3HG2  VAL   5          HG23      VAL   5   2.872   8.566   4.009
   37    H    PHE   6           HN       PHE   6   1.040   3.749   4.441
   38    HA   PHE   6           HA       PHE   6  -0.484   2.593   5.780
   39   2HB   PHE   6           HB1      PHE   6  -1.600   4.729   7.324
   40   1HB   PHE   6           HB2      PHE   6   0.111   5.071   7.068
   41    HD1  PHE   6           HD1      PHE   6  -2.320   2.650   8.449
   42    HD2  PHE   6           HD2      PHE   6   1.837   3.625   7.970
   43    HE1  PHE   6           HE1      PHE   6  -1.721   0.927  10.129
   44    HE2  PHE   6           HE2      PHE   6   2.435   1.903   9.650
   45    HZ   PHE   6           HZ       PHE   6   0.656   0.554  10.730
   46    H    ASP   7           HN       ASP   7  -1.467   3.716   3.233
   47    HA   ASP   7           HA       ASP   7  -4.329   4.251   3.896
   48   2HB   ASP   7           HB1      ASP   7  -3.195   4.444   1.117
   49   1HB   ASP   7           HB2      ASP   7  -2.859   5.729   2.276
   50    H    ALA   8           HN       ALA   8  -5.766   2.607   3.584
   51    HA   ALA   8           HA       ALA   8  -5.007  -0.020   2.853
   52   1HB   ALA   8           HB1      ALA   8  -7.076   0.458   4.086
   53   2HB   ALA   8           HB2      ALA   8  -7.432  -0.472   2.631
   54   3HB   ALA   8           HB3      ALA   8  -7.749   1.262   2.667
   55    H    CYS   9           HN       CYS   9  -4.306  -0.718   0.911
   56    HA   CYS   9           HA       CYS   9  -5.621   0.340  -1.556
   57   2HB   CYS   9           HB1      CYS   9  -3.447   1.445  -1.338
   58   1HB   CYS   9           HB2      CYS   9  -3.400   0.297  -2.676
   59    H    THR  10           HN       THR  10  -5.371  -1.147  -3.434
   60    HA   THR  10           HA       THR  10  -5.610  -3.957  -2.555
   61    HB   THR  10           HB       THR  10  -6.018  -2.715  -5.296
   62    HG1  THR  10           HG1      THR  10  -7.718  -1.984  -4.300
   63   1HG2  THR  10          HG21      THR  10  -5.561  -5.112  -5.430
   64   2HG2  THR  10          HG22      THR  10  -7.272  -4.820  -5.743
   65   3HG2  THR  10          HG23      THR  10  -6.754  -5.433  -4.172
   66    HA   PRO  11           HA       PRO  11  -1.430  -4.754  -3.845
   67   2HB   PRO  11           HB1      PRO  11  -1.295  -6.227  -2.072
   68   1HB   PRO  11           HB2      PRO  11  -1.504  -7.457  -3.330
   69   1HG   PRO  11           HG1      PRO  11  -3.229  -7.130  -1.184
   70   2HG   PRO  11           HG2      PRO  11  -3.711  -7.850  -2.729
   71   1HD   PRO  11           HD2      PRO  11  -5.183  -6.096  -2.944
   72   2HD   PRO  11           HD1      PRO  11  -4.435  -5.223  -1.590
   73    H    GLY  12           HN       GLY  12  -0.685  -5.139  -5.890
   74   2HA   GLY  12           HA1      GLY  12  -1.881  -7.240  -7.574
   75   1HA   GLY  12           HA2      GLY  12  -0.472  -6.261  -7.982
   76    H    LYS  13           HN       LYS  13  -2.847  -4.185  -6.840
   77    HA   LYS  13           HA       LYS  13  -4.042  -3.773  -9.537
   78   2HB   LYS  13           HB1      LYS  13  -4.978  -2.980  -6.776
   79   1HB   LYS  13           HB2      LYS  13  -5.738  -4.139  -7.864
   80   2HG   LYS  13           HG1      LYS  13  -5.560  -1.810  -9.387
   81   1HG   LYS  13           HG2      LYS  13  -5.992  -1.231  -7.778
   82   2HD   LYS  13           HD1      LYS  13  -7.772  -3.093  -7.785
   83   1HD   LYS  13           HD2      LYS  13  -7.465  -3.211  -9.518
   84   1HE   LYS  13           HE1      LYS  13  -8.035  -0.537  -8.249
   85   2HE   LYS  13           HE2      LYS  13  -9.361  -1.616  -8.682
   86   1HZ   LYS  13           HZ1      LYS  13  -7.275  -0.528 -10.493
   87   2HZ   LYS  13           HZ2      LYS  13  -8.938  -0.178 -10.513
   88   3HZ   LYS  13           HZ3      LYS  13  -8.389  -1.726 -10.946
   89    H    ASN  14           HN       ASN  14  -3.130  -1.831  -6.729
   90    HA   ASN  14           HA       ASN  14  -2.118   0.287  -8.587
   91   1HB   ASN  14           HB1      ASN  14  -2.556   1.890  -6.782
   92   2HB   ASN  14           HB2      ASN  14  -3.061   0.579  -5.716
   93   1HD2  ASN  14          HD21      ASN  14  -3.856   1.544  -9.122
   94   2HD2  ASN  14          HD22      ASN  14  -5.535   1.416  -8.911
   95    H    GLU  15           HN       GLU  15  -1.484  -1.393  -5.508
   96    HA   GLU  15           HA       GLU  15   0.500  -1.821  -4.363
   97   2HB   GLU  15           HB1      GLU  15   2.630  -1.728  -5.747
   98   1HB   GLU  15           HB2      GLU  15   1.631  -1.212  -7.105
   99   1HG   GLU  15           HG1      GLU  15   0.412  -3.495  -5.837
  100   2HG   GLU  15           HG2      GLU  15   2.097  -3.865  -6.197
  101    H    CYS  16           HN       CYS  16  -0.672   0.982  -4.616
  102    HA   CYS  16           HA       CYS  16  -0.174   3.130  -3.849
  103   2HB   CYS  16           HB1      CYS  16   2.375   2.375  -2.580
  104   1HB   CYS  16           HB2      CYS  16   1.014   1.348  -2.126
  105    H    CYS  17           HN       CYS  17   2.349   4.369  -3.409
  106    HA   CYS  17           HA       CYS  17   3.051   5.182  -6.078
  107   2HB   CYS  17           HB1      CYS  17   5.146   5.922  -4.332
  108   1HB   CYS  17           HB2      CYS  17   3.680   5.945  -3.353
  109    HA   PRO  18           HA       PRO  18   6.415   2.532  -7.121
  110   2HB   PRO  18           HB1      PRO  18   7.006   3.922  -8.855
  111   1HB   PRO  18           HB2      PRO  18   8.431   4.258  -7.857
  112   1HG   PRO  18           HG1      PRO  18   6.651   6.203  -8.678
  113   2HG   PRO  18           HG2      PRO  18   7.619   6.334  -7.200
  114   1HD   PRO  18           HD2      PRO  18   5.609   6.409  -6.082
  115   2HD   PRO  18           HD1      PRO  18   4.710   5.833  -7.501
  116    H    ASN  19           HN       ASN  19   7.187   5.041  -4.756
  117    HA   ASN  19           HA       ASN  19   9.583   3.598  -3.818
  118   2HB   ASN  19           HB1      ASN  19   9.783   5.457  -2.196
  119   1HB   ASN  19           HB2      ASN  19   8.242   6.104  -2.761
  120   1HD2  ASN  19          HD21      ASN  19   8.182   7.020  -4.967
  121   2HD2  ASN  19          HD22      ASN  19   9.616   7.443  -5.771
  122    H    ARG  20           HN       ARG  20   6.223   3.653  -3.188
  123    HA   ARG  20           HA       ARG  20   6.613   2.359  -0.522
  124   2HB   ARG  20           HB1      ARG  20   4.033   2.782  -0.429
  125   1HB   ARG  20           HB2      ARG  20   4.342   3.918  -1.743
  126   2HG   ARG  20           HG1      ARG  20   6.052   5.041  -0.319
  127   1HG   ARG  20           HG2      ARG  20   5.644   3.942   0.999
  128   2HD   ARG  20           HD1      ARG  20   3.685   5.022   1.457
  129   1HD   ARG  20           HD2      ARG  20   3.342   5.331  -0.246
  130    HE   ARG  20           HE       ARG  20   4.992   7.046   1.524
  131   1HH1  ARG  20          HH11      ARG  20   6.106   6.881  -1.288
  132   2HH1  ARG  20          HH12      ARG  20   5.299   8.204  -2.060
  133   1HH2  ARG  20          HH21      ARG  20   2.878   8.521   0.415
  134   2HH2  ARG  20          HH22      ARG  20   3.466   9.135  -1.094
  135    H    VAL  21           HN       VAL  21   4.722   0.674  -0.131
  136    HA   VAL  21           HA       VAL  21   4.083  -0.845  -2.602
  137    HB   VAL  21           HB       VAL  21   4.818  -2.976  -1.367
  138   1HG1  VAL  21          HG11      VAL  21   7.030  -1.051  -2.126
  139   2HG1  VAL  21          HG12      VAL  21   6.009  -1.873  -3.305
  140   3HG1  VAL  21          HG13      VAL  21   7.056  -2.810  -2.241
  141   1HG2  VAL  21          HG21      VAL  21   6.521  -2.724   0.345
  142   2HG2  VAL  21          HG22      VAL  21   5.099  -1.811   0.849
  143   3HG2  VAL  21          HG23      VAL  21   6.495  -0.969   0.175
  144    H    CYS  22           HN       CYS  22   2.342  -2.363  -2.316
  145    HA   CYS  22           HA       CYS  22   0.516  -1.608  -0.111
  146   2HB   CYS  22           HB1      CYS  22  -1.031  -3.236  -1.445
  147   1HB   CYS  22           HB2      CYS  22   0.200  -3.115  -2.702
  148    H    SER  23           HN       SER  23   0.508  -2.791   1.724
  149    HA   SER  23           HA       SER  23   1.891  -5.345   1.910
  150   2HB   SER  23           HB1      SER  23   0.028  -4.546   4.079
  151   1HB   SER  23           HB2      SER  23   1.318  -3.404   3.719
  152    HG   SER  23           HG       SER  23   1.460  -5.794   4.961
  153    H    ASP  24           HN       ASP  24   0.971  -7.404   2.155
  154    HA   ASP  24           HA       ASP  24  -1.826  -7.662   1.201
  155   1HB   ASP  24           HB1      ASP  24  -0.055  -9.031   0.118
  156   2HB   ASP  24           HB2      ASP  24  -1.291 -10.034   0.873
  157    H    LYS  25           HN       LYS  25   0.183  -8.388   4.031
  158    HA   LYS  25           HA       LYS  25  -1.978  -9.765   5.451
  159   2HB   LYS  25           HB1      LYS  25   0.524  -8.610   6.696
  160   1HB   LYS  25           HB2      LYS  25   0.557 -10.118   5.780
  161   2HG   LYS  25           HG1      LYS  25  -0.828 -11.227   7.325
  162   1HG   LYS  25           HG2      LYS  25  -1.451  -9.717   7.993
  163   2HD   LYS  25           HD1      LYS  25   1.011  -9.284   8.713
  164   1HD   LYS  25           HD2      LYS  25   1.238 -11.012   8.436
  165   2HE   LYS  25           HE1      LYS  25  -0.297 -11.602  10.126
  166   1HE   LYS  25           HE2      LYS  25  -1.043 -10.004  10.133
  167   1HZ   LYS  25           HZ1      LYS  25   1.744 -10.571  10.990
  168   2HZ   LYS  25           HZ2      LYS  25   0.427 -10.384  12.047
  169   3HZ   LYS  25           HZ3      LYS  25   0.941  -9.080  11.087
  170    H    HIS  26           HN       HIS  26  -0.525  -6.530   5.419
  171    HA   HIS  26           HA       HIS  26  -2.349  -5.582   7.542
  172   2HB   HIS  26           HB1      HIS  26  -1.166  -3.413   7.193
  173   1HB   HIS  26           HB2      HIS  26  -0.226  -4.161   5.905
  174    HD1  HIS  26           HD1      HIS  26  -1.105  -5.201   9.483
  175    HD2  HIS  26           HD2      HIS  26   2.192  -4.955   6.945
  176    HE1  HIS  26           HE1      HIS  26   0.881  -6.050  10.805
  177    H    LYS  27           HN       LYS  27  -1.988  -5.460   4.049
  178    HA   LYS  27           HA       LYS  27  -3.458  -4.787   2.375
  179   1HB   LYS  27           HB1      LYS  27  -5.822  -4.585   2.900
  180   2HB   LYS  27           HB2      LYS  27  -5.465  -4.420   4.618
  181   2HG   LYS  27           HG1      LYS  27  -5.168  -6.660   4.886
  182   1HG   LYS  27           HG2      LYS  27  -4.278  -6.813   3.371
  183   2HD   LYS  27           HD1      LYS  27  -6.595  -6.447   2.240
  184   1HD   LYS  27           HD2      LYS  27  -7.259  -6.853   3.822
  185   2HE   LYS  27           HE1      LYS  27  -7.156  -8.954   2.801
  186   1HE   LYS  27           HE2      LYS  27  -5.620  -8.907   3.666
  187   1HZ   LYS  27           HZ1      LYS  27  -5.346  -9.627   1.368
  188   2HZ   LYS  27           HZ2      LYS  27  -4.531  -8.164   1.652
  189   3HZ   LYS  27           HZ3      LYS  27  -6.010  -8.168   0.815
  190    H    TRP  28           HN       TRP  28  -1.701  -2.815   3.581
  191    HA   TRP  28           HA       TRP  28  -3.196  -0.413   2.737
  192   1HB   TRP  28           HB1      TRP  28  -3.517  -0.479   5.189
  193   2HB   TRP  28           HB2      TRP  28  -2.572   0.915   4.687
  194    HD1  TRP  28           HD1      TRP  28   0.306  -0.188   4.519
  195    HE1  TRP  28           HE1      TRP  28   1.543  -1.014   6.617
  196    HE3  TRP  28           HE3      TRP  28  -3.677  -1.157   7.563
  197    HZ2  TRP  28           HZ2      TRP  28   0.931  -1.959   9.243
  198    HZ3  TRP  28           HZ3      TRP  28  -3.319  -2.018   9.859
  199    HH2  TRP  28           HH2      TRP  28  -1.022  -2.419  10.702
  200    H    CYS  29           HN       CYS  29  -1.540   1.559   2.831
  201    HA   CYS  29           HA       CYS  29   0.722   0.759   1.163
  202   2HB   CYS  29           HB1      CYS  29   0.228   3.522   2.282
  203   1HB   CYS  29           HB2      CYS  29  -0.701   2.893   0.921
  204    H    LYS  30           HN       LYS  30   2.862   0.626   1.789
  205    HA   LYS  30           HA       LYS  30   3.657   1.679   4.446
  206   2HB   LYS  30           HB1      LYS  30   2.965  -0.581   4.985
  207   1HB   LYS  30           HB2      LYS  30   4.726  -0.516   5.029
  208   2HG   LYS  30           HG1      LYS  30   3.941  -1.138   2.351
  209   1HG   LYS  30           HG2      LYS  30   3.053  -2.208   3.435
  210   2HD   LYS  30           HD1      LYS  30   5.379  -2.509   4.609
  211   1HD   LYS  30           HD2      LYS  30   6.027  -1.909   3.082
  212   2HE   LYS  30           HE1      LYS  30   4.545  -3.691   1.957
  213   1HE   LYS  30           HE2      LYS  30   4.365  -4.387   3.566
  214   1HZ   LYS  30           HZ1      LYS  30   6.798  -4.499   3.716
  215   2HZ   LYS  30           HZ2      LYS  30   6.919  -3.925   2.121
  216   3HZ   LYS  30           HZ3      LYS  30   6.191  -5.428   2.434
  217    H    TRP  31           HN       TRP  31   5.973   1.838   4.698
  218    HA   TRP  31           HA       TRP  31   7.362   2.444   2.218
  219   2HB   TRP  31           HB1      TRP  31   9.322   2.744   3.935
  220   1HB   TRP  31           HB2      TRP  31   8.052   2.566   5.146
  221    HD1  TRP  31           HD1      TRP  31   6.984   4.761   5.832
  222    HE1  TRP  31           HE1      TRP  31   6.615   7.066   4.736
  223    HE3  TRP  31           HE3      TRP  31   8.983   3.873   1.221
  224    HZ2  TRP  31           HZ2      TRP  31   7.108   8.362   2.232
  225    HZ3  TRP  31           HZ3      TRP  31   9.022   5.657  -0.498
  226    HH2  TRP  31           HH2      TRP  31   8.087   7.898  -0.001
  227    H    LYS  32           HN       LYS  32   9.468   1.477   1.650
  228    HA   LYS  32           HA       LYS  32   9.412  -1.452   2.018
  229   1HB   LYS  32           HB1      LYS  32  10.877  -1.578   0.144
  230   2HB   LYS  32           HB2      LYS  32  11.357   0.111   0.317
  231   2HG   LYS  32           HG1      LYS  32   9.189   0.879  -0.384
  232   1HG   LYS  32           HG2      LYS  32   8.514  -0.747  -0.284
  233   2HD   LYS  32           HD1      LYS  32   8.914  -0.456  -2.593
  234   1HD   LYS  32           HD2      LYS  32  10.320  -1.371  -2.047
  235   2HE   LYS  32           HE1      LYS  32  11.745   0.367  -2.429
  236   1HE   LYS  32           HE2      LYS  32  10.600   1.563  -1.824
  237   1HZ   LYS  32           HZ1      LYS  32   9.347   1.293  -3.915
  238   2HZ   LYS  32           HZ2      LYS  32  10.569   0.264  -4.494
  239   3HZ   LYS  32           HZ3      LYS  32  10.914   1.893  -4.158
  240    H    LEU  33           HN       LEU  33  11.231   1.301   3.057
  241    HA   LEU  33           HA       LEU  33  13.342  -0.458   4.214
  242   2HB   LEU  33           HB1      LEU  33  13.760   2.390   4.624
  243   1HB   LEU  33           HB2      LEU  33  13.484   2.032   2.920
  244    HG   LEU  33           HG       LEU  33  15.186   0.119   3.234
  245   1HD1  LEU  33          HD11      LEU  33  15.631   2.263   2.029
  246   2HD1  LEU  33          HD12      LEU  33  17.063   1.623   2.834
  247   3HD1  LEU  33          HD13      LEU  33  16.177   2.968   3.551
  248   1HD2  LEU  33          HD21      LEU  33  16.830   0.573   5.080
  249   2HD2  LEU  33          HD22      LEU  33  15.242   0.077   5.667
  250   3HD2  LEU  33          HD23      LEU  33  15.712   1.776   5.722

  No H/Q in entry =         250
  Start of MODEL    9
    1    HA   ALA   1           HA       ALA   1  -4.466  12.091   4.138
    2   1HB   ALA   1           HB1      ALA   1  -7.442  11.713   4.141
    3   2HB   ALA   1           HB2      ALA   1  -6.775  13.226   4.753
    4   3HB   ALA   1           HB3      ALA   1  -6.313  11.695   5.495
    5    H1   ALA   1           HT1      ALA   1  -4.600  13.151   1.997
    6    H2   ALA   1           HT2      ALA   1  -5.420  14.099   3.143
    7    H3   ALA   1           HT3      ALA   1  -6.295  13.141   2.046
    8    H    CYS   2           HN       CYS   2  -3.802  10.068   3.636
    9    HA   CYS   2           HA       CYS   2  -5.296   8.559   1.533
   10   2HB   CYS   2           HB1      CYS   2  -2.942   9.020   0.998
   11   1HB   CYS   2           HB2      CYS   2  -3.188   7.290   1.230
   12    H    LYS   3           HN       LYS   3  -4.619   6.002   1.952
   13    HA   LYS   3           HA       LYS   3  -6.167   5.238   4.276
   14   2HB   LYS   3           HB1      LYS   3  -5.365   2.898   3.616
   15   1HB   LYS   3           HB2      LYS   3  -4.520   3.677   2.278
   16   2HG   LYS   3           HG1      LYS   3  -6.745   4.731   1.637
   17   1HG   LYS   3           HG2      LYS   3  -7.502   3.673   2.828
   18   2HD   LYS   3           HD1      LYS   3  -6.457   1.714   1.631
   19   1HD   LYS   3           HD2      LYS   3  -5.921   2.834   0.378
   20   2HE   LYS   3           HE1      LYS   3  -8.384   3.554   0.205
   21   1HE   LYS   3           HE2      LYS   3  -8.755   2.120   1.161
   22   1HZ   LYS   3           HZ1      LYS   3  -7.481   2.249  -1.509
   23   2HZ   LYS   3           HZ2      LYS   3  -8.929   1.476  -1.075
   24   3HZ   LYS   3           HZ3      LYS   3  -7.439   0.850  -0.551
   25    H    GLY   4           HN       GLY   4  -5.363   3.804   6.011
   26   2HA   GLY   4           HA1      GLY   4  -3.938   3.524   7.864
   27   1HA   GLY   4           HA2      GLY   4  -2.936   4.828   7.225
   28    H    VAL   5           HN       VAL   5  -0.955   3.732   7.515
   29    HA   VAL   5           HA       VAL   5   0.144   2.246   5.463
   30    HB   VAL   5           HB       VAL   5   1.876   1.583   7.092
   31   1HG1  VAL   5          HG11      VAL   5   2.696   3.740   7.428
   32   2HG1  VAL   5          HG12      VAL   5   1.097   4.391   7.786
   33   3HG1  VAL   5          HG13      VAL   5   1.531   3.983   6.127
   34   1HG2  VAL   5          HG21      VAL   5   0.017   2.812   9.140
   35   2HG2  VAL   5          HG22      VAL   5   1.646   2.215   9.454
   36   3HG2  VAL   5          HG23      VAL   5   0.369   1.090   8.995
   37    H    PHE   6           HN       PHE   6   0.631   0.017   5.168
   38    HA   PHE   6           HA       PHE   6   0.194  -2.273   5.156
   39   2HB   PHE   6           HB1      PHE   6  -0.852  -3.103   7.467
   40   1HB   PHE   6           HB2      PHE   6  -0.308  -1.514   8.003
   41    HD1  PHE   6           HD1      PHE   6   2.044  -0.973   8.158
   42    HD2  PHE   6           HD2      PHE   6   0.766  -4.757   6.573
   43    HE1  PHE   6           HE1      PHE   6   4.371  -1.817   8.295
   44    HE2  PHE   6           HE2      PHE   6   3.094  -5.600   6.712
   45    HZ   PHE   6           HZ       PHE   6   4.896  -4.130   7.572
   46    H    ASP   7           HN       ASP   7  -1.786  -0.480   4.087
   47    HA   ASP   7           HA       ASP   7  -4.353  -1.806   4.826
   48   1HB   ASP   7           HB1      ASP   7  -4.352   0.681   4.770
   49   2HB   ASP   7           HB2      ASP   7  -5.461  -0.004   3.587
   50    H    ALA   8           HN       ALA   8  -5.321  -3.227   3.420
   51    HA   ALA   8           HA       ALA   8  -3.833  -4.313   1.228
   52   1HB   ALA   8           HB1      ALA   8  -5.538  -5.609   2.452
   53   2HB   ALA   8           HB2      ALA   8  -5.879  -5.589   0.722
   54   3HB   ALA   8           HB3      ALA   8  -6.798  -4.553   1.814
   55    H    CYS   9           HN       CYS   9  -3.465  -3.307  -0.661
   56    HA   CYS   9           HA       CYS   9  -5.699  -1.817  -1.960
   57   2HB   CYS   9           HB1      CYS   9  -4.345  -0.068  -1.039
   58   1HB   CYS   9           HB2      CYS   9  -3.936  -0.154  -2.752
   59    H    THR  10           HN       THR  10  -5.417  -1.639  -4.321
   60    HA   THR  10           HA       THR  10  -4.122  -4.059  -5.414
   61    HB   THR  10           HB       THR  10  -5.756  -1.972  -6.890
   62    HG1  THR  10           HG1      THR  10  -7.307  -2.724  -5.696
   63   1HG2  THR  10          HG21      THR  10  -5.055  -4.863  -7.472
   64   2HG2  THR  10          HG22      THR  10  -4.471  -3.447  -8.346
   65   3HG2  THR  10          HG23      THR  10  -6.176  -3.891  -8.426
   66    HA   PRO  11           HA       PRO  11  -0.608  -1.707  -6.748
   67   2HB   PRO  11           HB1      PRO  11   0.635  -3.627  -6.458
   68   1HB   PRO  11           HB2      PRO  11   0.548  -3.724  -8.226
   69   1HG   PRO  11           HG1      PRO  11  -0.411  -5.688  -6.521
   70   2HG   PRO  11           HG2      PRO  11  -1.027  -5.429  -8.161
   71   1HD   PRO  11           HD2      PRO  11  -3.053  -4.953  -7.186
   72   2HD   PRO  11           HD1      PRO  11  -2.324  -4.857  -5.569
   73    H    GLY  12           HN       GLY  12  -0.311  -0.370  -8.493
   74   2HA   GLY  12           HA1      GLY  12  -1.330  -1.188 -11.164
   75   1HA   GLY  12           HA2      GLY  12  -0.244   0.167 -10.851
   76    H    LYS  13           HN       LYS  13  -2.885  -0.111  -8.650
   77    HA   LYS  13           HA       LYS  13  -4.611   1.709 -10.225
   78   2HB   LYS  13           HB1      LYS  13  -6.051   1.366  -8.022
   79   1HB   LYS  13           HB2      LYS  13  -4.994  -0.031  -7.821
   80   1HG   LYS  13           HG1      LYS  13  -6.400   0.506 -10.439
   81   2HG   LYS  13           HG2      LYS  13  -7.200  -0.372  -9.135
   82   2HD   LYS  13           HD1      LYS  13  -6.162  -2.234  -9.872
   83   1HD   LYS  13           HD2      LYS  13  -4.643  -1.522  -9.330
   84   2HE   LYS  13           HE1      LYS  13  -4.124  -1.835 -11.557
   85   1HE   LYS  13           HE2      LYS  13  -4.862  -0.237 -11.671
   86   1HZ   LYS  13           HZ1      LYS  13  -5.795  -1.704 -13.319
   87   2HZ   LYS  13           HZ2      LYS  13  -6.985  -1.318 -12.169
   88   3HZ   LYS  13           HZ3      LYS  13  -6.223  -2.837 -12.132
   89    H    ASN  14           HN       ASN  14  -2.263   1.832  -7.741
   90    HA   ASN  14           HA       ASN  14  -1.461   3.559  -6.395
   91   2HB   ASN  14           HB1      ASN  14  -2.192   5.931  -7.243
   92   1HB   ASN  14           HB2      ASN  14  -2.861   5.041  -8.610
   93   1HD2  ASN  14          HD21      ASN  14   0.188   5.669  -6.835
   94   2HD2  ASN  14          HD22      ASN  14   1.211   5.241  -8.121
   95    H    GLU  15           HN       GLU  15  -2.788   2.731  -4.641
   96    HA   GLU  15           HA       GLU  15  -5.039   4.575  -3.937
   97   2HB   GLU  15           HB1      GLU  15  -5.914   2.505  -2.634
   98   1HB   GLU  15           HB2      GLU  15  -4.833   1.573  -3.669
   99   2HG   GLU  15           HG1      GLU  15  -5.999   2.175  -5.629
  100   1HG   GLU  15           HG2      GLU  15  -6.773   3.557  -4.853
  101    H    CYS  16           HN       CYS  16  -2.499   5.242  -3.163
  102    HA   CYS  16           HA       CYS  16  -2.656   4.956  -0.234
  103   2HB   CYS  16           HB1      CYS  16   0.005   4.437  -0.523
  104   1HB   CYS  16           HB2      CYS  16  -0.650   3.564  -1.908
  105    H    CYS  17           HN       CYS  17  -0.500   6.136   0.663
  106    HA   CYS  17           HA       CYS  17  -0.676   8.880  -0.236
  107   2HB   CYS  17           HB1      CYS  17   1.599   8.746   1.329
  108   1HB   CYS  17           HB2      CYS  17   0.658   7.373   1.909
  109    HA   PRO  18           HA       PRO  18   2.656   9.092  -3.111
  110   2HB   PRO  18           HB1      PRO  18   2.341  11.368  -3.246
  111   1HB   PRO  18           HB2      PRO  18   3.897  11.445  -2.404
  112   1HG   PRO  18           HG1      PRO  18   1.549  12.529  -1.410
  113   2HG   PRO  18           HG2      PRO  18   2.900  12.013  -0.386
  114   1HD   PRO  18           HD2      PRO  18   1.446  10.490   0.536
  115   2HD   PRO  18           HD1      PRO  18   0.242  10.766  -0.741
  116    H    ASN  19           HN       ASN  19   3.475   9.184   0.299
  117    HA   ASN  19           HA       ASN  19   6.341   8.669  -0.236
  118   2HB   ASN  19           HB1      ASN  19   6.582   8.797   2.221
  119   1HB   ASN  19           HB2      ASN  19   4.831   8.948   2.380
  120   1HD2  ASN  19          HD21      ASN  19   7.727  10.601   1.063
  121   2HD2  ASN  19          HD22      ASN  19   7.026  12.147   1.036
  122    H    ARG  20           HN       ARG  20   3.527   6.841   0.008
  123    HA   ARG  20           HA       ARG  20   5.080   4.432   0.876
  124   2HB   ARG  20           HB1      ARG  20   2.679   3.567   1.458
  125   1HB   ARG  20           HB2      ARG  20   2.252   5.279   1.467
  126   2HG   ARG  20           HG1      ARG  20   4.176   5.655   3.063
  127   1HG   ARG  20           HG2      ARG  20   4.358   3.903   3.160
  128   2HD   ARG  20           HD1      ARG  20   2.979   4.520   5.011
  129   1HD   ARG  20           HD2      ARG  20   1.888   3.825   3.813
  130    HE   ARG  20           HE       ARG  20   1.840   6.528   3.231
  131   1HH1  ARG  20          HH11      ARG  20   2.184   7.707   5.666
  132   2HH1  ARG  20          HH12      ARG  20   0.736   7.452   6.580
  133   1HH2  ARG  20          HH21      ARG  20  -0.390   4.850   4.571
  134   2HH2  ARG  20          HH22      ARG  20  -0.726   5.830   5.959
  135    H    VAL  21           HN       VAL  21   4.301   2.386  -0.138
  136    HA   VAL  21           HA       VAL  21   2.883   2.776  -2.732
  137    HB   VAL  21           HB       VAL  21   4.590   1.239  -3.802
  138   1HG1  VAL  21          HG11      VAL  21   5.725   3.840  -2.737
  139   2HG1  VAL  21          HG12      VAL  21   4.572   3.739  -4.068
  140   3HG1  VAL  21          HG13      VAL  21   6.174   3.020  -4.233
  141   1HG2  VAL  21          HG21      VAL  21   5.508   0.361  -1.648
  142   2HG2  VAL  21          HG22      VAL  21   6.203   1.949  -1.329
  143   3HG2  VAL  21          HG23      VAL  21   6.763   1.002  -2.707
  144    H    CYS  22           HN       CYS  22   1.932   0.808  -3.570
  145    HA   CYS  22           HA       CYS  22   1.118  -1.058  -1.448
  146   2HB   CYS  22           HB1      CYS  22  -0.266  -2.071  -3.317
  147   1HB   CYS  22           HB2      CYS  22   0.374  -0.816  -4.378
  148    H    SER  23           HN       SER  23   1.818  -3.166  -1.243
  149    HA   SER  23           HA       SER  23   4.090  -3.989  -2.975
  150   2HB   SER  23           HB1      SER  23   3.823  -5.918  -1.008
  151   1HB   SER  23           HB2      SER  23   3.305  -4.449  -0.187
  152    HG   SER  23           HG       SER  23   5.222  -3.464  -0.737
  153    H    ASP  24           HN       ASP  24   4.089  -5.959  -4.100
  154    HA   ASP  24           HA       ASP  24   1.416  -7.033  -4.752
  155   2HB   ASP  24           HB1      ASP  24   2.950  -8.474  -6.344
  156   1HB   ASP  24           HB2      ASP  24   4.166  -7.262  -5.942
  157    H    LYS  25           HN       LYS  25   4.545  -8.247  -3.516
  158    HA   LYS  25           HA       LYS  25   3.622 -10.945  -3.073
  159   2HB   LYS  25           HB1      LYS  25   5.659 -11.027  -1.519
  160   1HB   LYS  25           HB2      LYS  25   5.951  -9.350  -1.983
  161   2HG   LYS  25           HG1      LYS  25   6.371  -9.918  -4.225
  162   1HG   LYS  25           HG2      LYS  25   5.535 -11.465  -4.088
  163   2HD   LYS  25           HD1      LYS  25   7.317 -12.437  -2.857
  164   1HD   LYS  25           HD2      LYS  25   8.038 -10.866  -2.504
  165   2HE   LYS  25           HE1      LYS  25   8.734 -10.581  -4.782
  166   1HE   LYS  25           HE2      LYS  25   7.764 -11.953  -5.318
  167   1HZ   LYS  25           HZ1      LYS  25  10.062 -12.128  -3.443
  168   2HZ   LYS  25           HZ2      LYS  25  10.128 -12.499  -5.100
  169   3HZ   LYS  25           HZ3      LYS  25   9.163 -13.430  -4.057
  170    H    HIS  26           HN       HIS  26   3.573  -7.997  -1.131
  171    HA   HIS  26           HA       HIS  26   2.619  -9.445   1.260
  172   2HB   HIS  26           HB1      HIS  26   2.454  -7.016   2.134
  173   1HB   HIS  26           HB2      HIS  26   3.298  -6.570   0.655
  174    HD1  HIS  26           HD1      HIS  26   3.789  -9.395   3.192
  175    HD2  HIS  26           HD2      HIS  26   5.987  -6.453   1.220
  176    HE1  HIS  26           HE1      HIS  26   6.193  -9.679   3.935
  177    H    LYS  27           HN       LYS  27   1.328  -7.565  -1.400
  178    HA   LYS  27           HA       LYS  27  -0.872  -7.224  -2.096
  179   2HB   LYS  27           HB1      LYS  27  -2.462  -8.512  -0.143
  180   1HB   LYS  27           HB2      LYS  27  -1.027  -9.516  -0.352
  181   2HG   LYS  27           HG1      LYS  27  -1.380  -9.589  -2.762
  182   1HG   LYS  27           HG2      LYS  27  -2.734  -8.467  -2.630
  183   1HD   LYS  27           HD1      LYS  27  -2.886 -10.914  -0.947
  184   2HD   LYS  27           HD2      LYS  27  -3.049 -11.156  -2.686
  185   1HE   LYS  27           HE1      LYS  27  -4.607  -8.960  -1.349
  186   2HE   LYS  27           HE2      LYS  27  -5.181 -10.623  -1.230
  187   1HZ   LYS  27           HZ1      LYS  27  -5.100 -10.768  -3.656
  188   2HZ   LYS  27           HZ2      LYS  27  -4.610  -9.143  -3.743
  189   3HZ   LYS  27           HZ3      LYS  27  -6.148  -9.539  -3.138
  190    H    TRP  28           HN       TRP  28   0.482  -5.729   0.357
  191    HA   TRP  28           HA       TRP  28  -1.945  -4.105   0.882
  192   2HB   TRP  28           HB1      TRP  28  -1.828  -5.562   2.830
  193   1HB   TRP  28           HB2      TRP  28  -1.394  -3.924   3.298
  194    HD1  TRP  28           HD1      TRP  28   1.548  -3.625   2.835
  195    HE1  TRP  28           HE1      TRP  28   3.310  -5.116   3.975
  196    HE3  TRP  28           HE3      TRP  28  -1.343  -7.668   4.003
  197    HZ2  TRP  28           HZ2      TRP  28   3.474  -7.685   5.219
  198    HZ3  TRP  28           HZ3      TRP  28  -0.358  -9.621   5.166
  199    HH2  TRP  28           HH2      TRP  28   2.044  -9.635   5.775
  200    H    CYS  29           HN       CYS  29  -1.169  -2.030   2.186
  201    HA   CYS  29           HA       CYS  29   0.951  -0.828   0.551
  202   2HB   CYS  29           HB1      CYS  29  -0.213   0.690   2.818
  203   1HB   CYS  29           HB2      CYS  29  -1.347   0.167   1.574
  204    H    LYS  30           HN       LYS  30   2.813   0.264   1.468
  205    HA   LYS  30           HA       LYS  30   3.529  -0.151   4.267
  206   2HB   LYS  30           HB1      LYS  30   4.083  -2.372   3.507
  207   1HB   LYS  30           HB2      LYS  30   5.597  -1.492   3.704
  208   2HG   LYS  30           HG1      LYS  30   5.032  -0.891   1.114
  209   1HG   LYS  30           HG2      LYS  30   4.288  -2.486   1.231
  210   1HD   LYS  30           HD1      LYS  30   7.087  -1.984   2.248
  211   2HD   LYS  30           HD2      LYS  30   6.786  -2.371   0.554
  212   2HE   LYS  30           HE1      LYS  30   6.913  -4.536   1.235
  213   1HE   LYS  30           HE2      LYS  30   5.281  -4.278   1.848
  214   1HZ   LYS  30           HZ1      LYS  30   7.791  -3.876   3.385
  215   2HZ   LYS  30           HZ2      LYS  30   6.724  -5.187   3.552
  216   3HZ   LYS  30           HZ3      LYS  30   6.222  -3.621   3.976
  217    H    TRP  31           HN       TRP  31   5.940   0.553   4.565
  218    HA   TRP  31           HA       TRP  31   6.252   3.142   3.254
  219   2HB   TRP  31           HB1      TRP  31   8.420   3.077   4.727
  220   1HB   TRP  31           HB2      TRP  31   7.680   1.642   5.439
  221    HD1  TRP  31           HD1      TRP  31   6.151   2.126   7.413
  222    HE1  TRP  31           HE1      TRP  31   4.772   4.149   8.228
  223    HE3  TRP  31           HE3      TRP  31   7.063   5.383   3.606
  224    HZ2  TRP  31           HZ2      TRP  31   4.142   6.809   7.368
  225    HZ3  TRP  31           HZ3      TRP  31   6.066   7.655   3.621
  226    HH2  TRP  31           HH2      TRP  31   4.608   8.371   5.494
  227    H    LYS  32           HN       LYS  32   8.914   3.496   2.905
  228    HA   LYS  32           HA       LYS  32   9.496   2.442   0.369
  229   2HB   LYS  32           HB1      LYS  32  10.732   4.353   1.119
  230   1HB   LYS  32           HB2      LYS  32  11.906   3.058   0.895
  231   2HG   LYS  32           HG1      LYS  32  11.229   2.619   3.483
  232   1HG   LYS  32           HG2      LYS  32  10.969   4.361   3.399
  233   2HD   LYS  32           HD1      LYS  32  13.257   4.646   2.490
  234   1HD   LYS  32           HD2      LYS  32  13.510   2.903   2.601
  235   2HE   LYS  32           HE1      LYS  32  12.907   3.160   5.096
  236   1HE   LYS  32           HE2      LYS  32  13.135   4.891   4.847
  237   1HZ   LYS  32           HZ1      LYS  32  15.371   4.481   4.094
  238   2HZ   LYS  32           HZ2      LYS  32  15.157   2.801   4.237
  239   3HZ   LYS  32           HZ3      LYS  32  15.157   3.782   5.624
  240    H    LEU  33           HN       LEU  33  10.053   1.021   3.496
  241    HA   LEU  33           HA       LEU  33  11.511  -1.259   2.238
  242   2HB   LEU  33           HB1      LEU  33  11.918  -1.861   4.724
  243   1HB   LEU  33           HB2      LEU  33  11.349  -0.229   5.072
  244    HG   LEU  33           HG       LEU  33  13.089   0.427   3.181
  245   1HD1  LEU  33          HD11      LEU  33  14.798   0.720   4.954
  246   2HD1  LEU  33          HD12      LEU  33  13.886  -0.371   5.999
  247   3HD1  LEU  33          HD13      LEU  33  13.191   1.178   5.519
  248   1HD2  LEU  33          HD21      LEU  33  13.677  -1.886   2.596
  249   2HD2  LEU  33          HD22      LEU  33  14.160  -2.201   4.263
  250   3HD2  LEU  33          HD23      LEU  33  15.079  -1.063   3.279

  No H/Q in entry =         250
  Start of MODEL    1
    1    HA   ALA   1           HA       ALA   1   1.151  14.808   1.317
    2   1HB   ALA   1           HB1      ALA   1  -1.510  13.744   0.339
    3   2HB   ALA   1           HB2      ALA   1  -1.217  15.191   1.302
    4   3HB   ALA   1           HB3      ALA   1  -0.977  13.595   2.013
    5    H1   ALA   1           HT1      ALA   1   0.025  14.222  -1.368
    6    H2   ALA   1           HT2      ALA   1   1.631  14.693  -1.077
    7    H3   ALA   1           HT3      ALA   1   0.355  15.754  -0.720
    8    H    CYS   2           HN       CYS   2  -0.196  12.155  -0.707
    9    HA   CYS   2           HA       CYS   2   2.004  10.407   0.308
   10   1HB   CYS   2           HB1      CYS   2  -0.099   9.923   1.553
   11   2HB   CYS   2           HB2      CYS   2   0.428   8.556   0.574
   12    H    LYS   3           HN       LYS   3   1.687   8.162  -1.085
   13    HA   LYS   3           HA       LYS   3   2.209   8.967  -3.848
   14   2HB   LYS   3           HB1      LYS   3   2.619   6.547  -4.212
   15   1HB   LYS   3           HB2      LYS   3   2.031   6.213  -2.584
   16   2HG   LYS   3           HG1      LYS   3   3.865   8.035  -1.931
   17   1HG   LYS   3           HG2      LYS   3   4.582   7.522  -3.459
   18   2HD   LYS   3           HD1      LYS   3   5.227   5.526  -2.600
   19   1HD   LYS   3           HD2      LYS   3   3.675   5.275  -1.802
   20   2HE   LYS   3           HE1      LYS   3   4.353   6.345   0.145
   21   1HE   LYS   3           HE2      LYS   3   5.535   7.348  -0.695
   22   1HZ   LYS   3           HZ1      LYS   3   5.781   4.421  -0.248
   23   2HZ   LYS   3           HZ2      LYS   3   6.588   5.621   0.644
   24   3HZ   LYS   3           HZ3      LYS   3   6.928   5.414  -1.007
   25    H    GLY   4           HN       GLY   4   1.148   7.067  -5.450
   26   2HA   GLY   4           HA1      GLY   4  -0.868   6.982  -6.739
   27   1HA   GLY   4           HA2      GLY   4  -1.740   7.697  -5.382
   28    H    VAL   5           HN       VAL   5  -2.608   5.379  -6.813
   29    HA   VAL   5           HA       VAL   5  -2.760   3.458  -4.565
   30    HB   VAL   5           HB       VAL   5  -4.184   3.057  -7.182
   31   1HG1  VAL   5          HG11      VAL   5  -4.813   2.528  -4.265
   32   2HG1  VAL   5          HG12      VAL   5  -4.440   1.332  -5.507
   33   3HG1  VAL   5          HG13      VAL   5  -5.950   2.239  -5.581
   34   1HG2  VAL   5          HG21      VAL   5  -6.060   4.471  -6.141
   35   2HG2  VAL   5          HG22      VAL   5  -4.691   5.362  -6.802
   36   3HG2  VAL   5          HG23      VAL   5  -4.827   5.120  -5.061
   37    H    PHE   6           HN       PHE   6  -2.511   1.110  -5.047
   38    HA   PHE   6           HA       PHE   6  -1.183  -0.680  -5.756
   39   2HB   PHE   6           HB1      PHE   6  -0.754  -0.795  -8.219
   40   1HB   PHE   6           HB2      PHE   6  -1.365   0.851  -8.372
   41    HD1  PHE   6           HD1      PHE   6  -2.257  -2.637  -7.496
   42    HD2  PHE   6           HD2      PHE   6  -3.727   1.334  -8.215
   43    HE1  PHE   6           HE1      PHE   6  -4.577  -3.509  -7.571
   44    HE2  PHE   6           HE2      PHE   6  -6.046   0.462  -8.291
   45    HZ   PHE   6           HZ       PHE   6  -6.472  -1.960  -7.969
   46    H    ASP   7           HN       ASP   7   0.189   1.443  -4.456
   47    HA   ASP   7           HA       ASP   7   2.716   1.795  -5.982
   48   2HB   ASP   7           HB1      ASP   7   1.977   2.905  -3.256
   49   1HB   ASP   7           HB2      ASP   7   1.644   3.739  -4.774
   50    H    ALA   8           HN       ALA   8   4.116   0.117  -5.769
   51    HA   ALA   8           HA       ALA   8   4.079  -1.961  -3.913
   52   1HB   ALA   8           HB1      ALA   8   6.358  -2.435  -4.536
   53   2HB   ALA   8           HB2      ALA   8   6.616  -0.768  -5.049
   54   3HB   ALA   8           HB3      ALA   8   5.531  -1.815  -5.964
   55    H    CYS   9           HN       CYS   9   4.516  -2.131  -1.776
   56    HA   CYS   9           HA       CYS   9   6.352  -0.197  -0.473
   57   2HB   CYS   9           HB1      CYS   9   4.225   0.885  -0.156
   58   1HB   CYS   9           HB2      CYS   9   4.641   0.114   1.374
   59    H    THR  10           HN       THR  10   6.695  -0.877   1.892
   60    HA   THR  10           HA       THR  10   7.024  -3.824   1.970
   61    HB   THR  10           HB       THR  10   8.078  -1.681   3.847
   62    HG1  THR  10           HG1      THR  10   9.374  -1.384   2.226
   63   1HG2  THR  10          HG21      THR  10   9.645  -3.542   4.521
   64   2HG2  THR  10          HG22      THR  10   8.632  -4.647   3.593
   65   3HG2  THR  10          HG23      THR  10   7.965  -3.801   4.989
   66    HA   PRO  11           HA       PRO  11   3.441  -3.988   4.614
   67   2HB   PRO  11           HB1      PRO  11   2.866  -5.940   3.530
   68   1HB   PRO  11           HB2      PRO  11   3.521  -6.717   4.981
   69   1HG   PRO  11           HG1      PRO  11   4.490  -7.159   2.424
   70   2HG   PRO  11           HG2      PRO  11   5.466  -7.361   3.888
   71   1HD   PRO  11           HD2      PRO  11   6.816  -5.694   3.058
   72   2HD   PRO  11           HD1      PRO  11   5.625  -5.261   1.813
   73    H    GLY  12           HN       GLY  12   3.323  -3.713   6.803
   74   2HA   GLY  12           HA1      GLY  12   5.076  -5.184   8.645
   75   1HA   GLY  12           HA2      GLY  12   3.820  -4.033   9.102
   76    H    LYS  13           HN       LYS  13   5.315  -2.307   6.834
   77    HA   LYS  13           HA       LYS  13   7.429  -1.266   8.663
   78   2HB   LYS  13           HB1      LYS  13   7.321  -1.326   5.642
   79   1HB   LYS  13           HB2      LYS  13   8.446  -2.204   6.676
   80   2HG   LYS  13           HG1      LYS  13   8.693   0.478   7.459
   81   1HG   LYS  13           HG2      LYS  13   8.593   0.528   5.698
   82   2HD   LYS  13           HD1      LYS  13  10.373  -1.231   5.603
   83   1HD   LYS  13           HD2      LYS  13  10.518  -1.131   7.357
   84   2HE   LYS  13           HE1      LYS  13  12.182   0.358   6.706
   85   1HE   LYS  13           HE2      LYS  13  10.811   1.456   6.857
   86   1HZ   LYS  13           HZ1      LYS  13  11.688   0.153   4.335
   87   2HZ   LYS  13           HZ2      LYS  13  12.012   1.763   4.769
   88   3HZ   LYS  13           HZ3      LYS  13  10.413   1.260   4.496
   89    H    ASN  14           HN       ASN  14   5.757  -0.042   5.797
   90    HA   ASN  14           HA       ASN  14   4.369   2.046   7.298
   91   2HB   ASN  14           HB1      ASN  14   6.241   3.152   5.248
   92   1HB   ASN  14           HB2      ASN  14   6.916   2.714   6.817
   93   1HD2  ASN  14          HD21      ASN  14   6.524   4.150   8.558
   94   2HD2  ASN  14          HD22      ASN  14   5.505   5.504   8.457
   95    H    GLU  15           HN       GLU  15   2.573   2.685   6.166
   96    HA   GLU  15           HA       GLU  15   2.087   1.466   3.537
   97   1HB   GLU  15           HB1      GLU  15   0.341   1.603   5.361
   98   2HB   GLU  15           HB2      GLU  15  -0.187   2.234   3.803
   99   2HG   GLU  15           HG1      GLU  15  -0.189   4.428   4.538
  100   1HG   GLU  15           HG2      GLU  15   1.090   4.145   5.718
  101    H    CYS  16           HN       CYS  16   0.633   3.231   2.109
  102    HA   CYS  16           HA       CYS  16   2.601   5.381   1.481
  103   1HB   CYS  16           HB1      CYS  16   1.552   5.456  -0.724
  104   2HB   CYS  16           HB2      CYS  16   0.292   4.342  -0.196
  105    H    CYS  17           HN       CYS  17  -0.954   5.063   1.170
  106    HA   CYS  17           HA       CYS  17  -1.217   7.887   2.093
  107   2HB   CYS  17           HB1      CYS  17  -3.498   7.737   1.097
  108   1HB   CYS  17           HB2      CYS  17  -3.163   6.072   0.631
  109    HA   PRO  18           HA       PRO  18  -3.230   6.656   5.809
  110   2HB   PRO  18           HB1      PRO  18  -3.412   8.881   6.373
  111   1HB   PRO  18           HB2      PRO  18  -5.137   8.627   6.056
  112   1HG   PRO  18           HG1      PRO  18  -3.583  10.480   4.711
  113   2HG   PRO  18           HG2      PRO  18  -5.037   9.740   4.020
  114   1HD   PRO  18           HD2      PRO  18  -3.653   8.877   2.398
  115   2HD   PRO  18           HD1      PRO  18  -2.195   9.284   3.327
  116    H    ASN  19           HN       ASN  19  -5.293   7.235   2.986
  117    HA   ASN  19           HA       ASN  19  -7.496   5.627   4.141
  118   2HB   ASN  19           HB1      ASN  19  -8.654   6.195   1.990
  119   1HB   ASN  19           HB2      ASN  19  -7.215   7.088   1.496
  120   1HD2  ASN  19          HD21      ASN  19  -6.896   9.191   2.405
  121   2HD2  ASN  19          HD22      ASN  19  -7.978   9.903   3.502
  122    H    ARG  20           HN       ARG  20  -4.633   4.766   2.924
  123    HA   ARG  20           HA       ARG  20  -5.740   2.384   1.499
  124   2HB   ARG  20           HB1      ARG  20  -3.364   2.531   0.312
  125   1HB   ARG  20           HB2      ARG  20  -3.526   4.243   0.705
  126   2HG   ARG  20           HG1      ARG  20  -5.765   4.237  -0.407
  127   1HG   ARG  20           HG2      ARG  20  -5.494   2.559  -0.877
  128   2HD   ARG  20           HD1      ARG  20  -4.050   3.137  -2.537
  129   1HD   ARG  20           HD2      ARG  20  -3.277   4.384  -1.558
  130    HE   ARG  20           HE       ARG  20  -5.652   4.762  -3.282
  131   1HH1  ARG  20          HH11      ARG  20  -3.586   6.602  -3.865
  132   2HH1  ARG  20          HH12      ARG  20  -3.895   7.978  -2.859
  133   1HH2  ARG  20          HH21      ARG  20  -6.004   6.258  -0.700
  134   2HH2  ARG  20          HH22      ARG  20  -5.268   7.782  -1.064
  135    H    VAL  21           HN       VAL  21  -4.125   0.515   1.567
  136    HA   VAL  21           HA       VAL  21  -2.367   0.638   3.978
  137    HB   VAL  21           HB       VAL  21  -3.157  -1.648   4.615
  138   1HG1  VAL  21          HG11      VAL  21  -5.435  -0.857   5.433
  139   2HG1  VAL  21          HG12      VAL  21  -5.156   0.621   4.515
  140   3HG1  VAL  21          HG13      VAL  21  -4.077   0.192   5.841
  141   1HG2  VAL  21          HG21      VAL  21  -5.134  -1.096   2.385
  142   2HG2  VAL  21          HG22      VAL  21  -5.432  -2.292   3.645
  143   3HG2  VAL  21          HG23      VAL  21  -4.059  -2.483   2.556
  144    H    CYS  22           HN       CYS  22  -0.621  -0.876   3.961
  145    HA   CYS  22           HA       CYS  22   0.321  -1.553   1.266
  146   2HB   CYS  22           HB1      CYS  22   1.657  -2.287   3.881
  147   1HB   CYS  22           HB2      CYS  22   1.771  -0.666   3.196
  148    H    SER  23           HN       SER  23  -0.533  -3.362   0.351
  149    HA   SER  23           HA       SER  23  -1.518  -5.600   1.944
  150   2HB   SER  23           HB1      SER  23  -1.064  -5.520  -1.048
  151   1HB   SER  23           HB2      SER  23  -2.489  -4.836  -0.273
  152    HG   SER  23           HG       SER  23  -2.790  -7.015  -0.971
  153    H    ASP  24           HN       ASP  24  -0.643  -7.717   2.002
  154    HA   ASP  24           HA       ASP  24   2.294  -7.836   1.675
  155   2HB   ASP  24           HB1      ASP  24   0.610 -10.127   2.659
  156   1HB   ASP  24           HB2      ASP  24   0.861  -8.725   3.699
  157    H    LYS  25           HN       LYS  25  -0.599  -9.638   0.580
  158    HA   LYS  25           HA       LYS  25   0.867 -11.389  -1.192
  159   2HB   LYS  25           HB1      LYS  25  -1.362 -12.005  -0.376
  160   1HB   LYS  25           HB2      LYS  25  -1.367 -11.929  -2.137
  161   2HG   LYS  25           HG1      LYS  25  -2.227  -9.541  -1.911
  162   1HG   LYS  25           HG2      LYS  25  -2.455  -9.872  -0.195
  163   2HD   LYS  25           HD1      LYS  25  -4.345 -11.042  -0.593
  164   1HD   LYS  25           HD2      LYS  25  -3.567 -11.993  -1.858
  165   2HE   LYS  25           HE1      LYS  25  -5.043 -10.862  -3.200
  166   1HE   LYS  25           HE2      LYS  25  -3.792  -9.621  -3.144
  167   1HZ   LYS  25           HZ1      LYS  25  -4.929  -8.551  -1.338
  168   2HZ   LYS  25           HZ2      LYS  25  -6.089  -9.790  -1.268
  169   3HZ   LYS  25           HZ3      LYS  25  -6.019  -8.764  -2.620
  170    H    HIS  26           HN       HIS  26  -0.582  -8.192  -1.555
  171    HA   HIS  26           HA       HIS  26  -0.127  -8.184  -4.476
  172   2HB   HIS  26           HB1      HIS  26  -0.880  -5.681  -4.023
  173   1HB   HIS  26           HB2      HIS  26  -1.439  -6.358  -2.498
  174    HD1  HIS  26           HD1      HIS  26  -3.906  -5.854  -3.425
  175    HD2  HIS  26           HD2      HIS  26  -1.789  -8.798  -5.484
  176    HE1  HIS  26           HE1      HIS  26  -5.605  -7.124  -4.809
  177    H    LYS  27           HN       LYS  27   1.379  -7.034  -1.529
  178    HA   LYS  27           HA       LYS  27   3.475  -6.098  -1.139
  179   2HB   LYS  27           HB1      LYS  27   5.153  -6.161  -2.980
  180   1HB   LYS  27           HB2      LYS  27   3.888  -6.692  -4.085
  181   2HG   LYS  27           HG1      LYS  27   4.007  -8.818  -3.324
  182   1HG   LYS  27           HG2      LYS  27   3.939  -8.290  -1.643
  183   2HD   LYS  27           HD1      LYS  27   6.426  -7.541  -2.086
  184   1HD   LYS  27           HD2      LYS  27   6.335  -8.703  -3.410
  185   1HE   LYS  27           HE1      LYS  27   5.423  -9.485  -0.648
  186   2HE   LYS  27           HE2      LYS  27   7.138  -9.519  -1.053
  187   1HZ   LYS  27           HZ1      LYS  27   6.629 -10.960  -2.928
  188   2HZ   LYS  27           HZ2      LYS  27   4.979 -10.936  -2.523
  189   3HZ   LYS  27           HZ3      LYS  27   6.105 -11.654  -1.473
  190    H    TRP  28           HN       TRP  28   1.078  -4.483  -2.307
  191    HA   TRP  28           HA       TRP  28   2.662  -2.003  -2.622
  192   1HB   TRP  28           HB1      TRP  28   2.268  -2.725  -4.937
  193   2HB   TRP  28           HB2      TRP  28   1.372  -1.255  -4.581
  194    HD1  TRP  28           HD1      TRP  28  -1.271  -2.047  -3.458
  195    HE1  TRP  28           HE1      TRP  28  -2.944  -3.559  -4.701
  196    HE3  TRP  28           HE3      TRP  28   1.898  -4.391  -6.705
  197    HZ2  TRP  28           HZ2      TRP  28  -2.944  -5.501  -6.796
  198    HZ3  TRP  28           HZ3      TRP  28   1.033  -6.064  -8.315
  199    HH2  TRP  28           HH2      TRP  28  -1.382  -6.622  -8.365
  200    H    CYS  29           HN       CYS  29   1.163  -0.036  -2.541
  201    HA   CYS  29           HA       CYS  29  -0.690  -0.378  -0.298
  202   2HB   CYS  29           HB1      CYS  29  -0.933   2.110  -0.496
  203   1HB   CYS  29           HB2      CYS  29   0.113   2.063  -1.915
  204    H    LYS  30           HN       LYS  30  -2.799  -0.900  -0.617
  205    HA   LYS  30           HA       LYS  30  -4.104   0.026  -3.146
  206   2HB   LYS  30           HB1      LYS  30  -3.746  -2.375  -3.295
  207   1HB   LYS  30           HB2      LYS  30  -5.465  -2.065  -3.069
  208   2HG   LYS  30           HG1      LYS  30  -4.687  -2.277  -0.478
  209   1HG   LYS  30           HG2      LYS  30  -3.512  -3.351  -1.237
  210   2HD   LYS  30           HD1      LYS  30  -5.532  -4.391  -2.461
  211   1HD   LYS  30           HD2      LYS  30  -6.528  -3.535  -1.283
  212   2HE   LYS  30           HE1      LYS  30  -4.608  -4.713   0.313
  213   1HE   LYS  30           HE2      LYS  30  -4.854  -5.930  -0.939
  214   1HZ   LYS  30           HZ1      LYS  30  -7.182  -5.948  -0.498
  215   2HZ   LYS  30           HZ2      LYS  30  -7.055  -4.637   0.576
  216   3HZ   LYS  30           HZ3      LYS  30  -6.377  -6.141   0.981
  217    H    TRP  31           HN       TRP  31  -6.505   0.161  -2.960
  218    HA   TRP  31           HA       TRP  31  -7.324   1.801  -0.787
  219   2HB   TRP  31           HB1      TRP  31  -9.688   1.157  -1.713
  220   1HB   TRP  31           HB2      TRP  31  -8.776   0.338  -2.980
  221    HD1  TRP  31           HD1      TRP  31  -8.119   1.785  -4.962
  222    HE1  TRP  31           HE1      TRP  31  -7.909   4.315  -5.408
  223    HE3  TRP  31           HE3      TRP  31  -9.064   3.582  -0.284
  224    HZ2  TRP  31           HZ2      TRP  31  -8.117   6.779  -3.968
  225    HZ3  TRP  31           HZ3      TRP  31  -9.056   6.022   0.154
  226    HH2  TRP  31           HH2      TRP  31  -8.582   7.621  -1.680
  227    H    LYS  32           HN       LYS  32  -8.729   1.359   0.972
  228    HA   LYS  32           HA       LYS  32  -8.534  -1.393   2.011
  229   1HB   LYS  32           HB1      LYS  32  -9.168  -0.485   4.125
  230   2HB   LYS  32           HB2      LYS  32  -9.830   0.969   3.377
  231   2HG   LYS  32           HG1      LYS  32  -7.575   1.644   2.663
  232   1HG   LYS  32           HG2      LYS  32  -6.901   0.169   3.355
  233   2HD   LYS  32           HD1      LYS  32  -6.540   1.785   5.042
  234   1HD   LYS  32           HD2      LYS  32  -8.008   0.964   5.570
  235   2HE   LYS  32           HE1      LYS  32  -8.885   3.010   3.847
  236   1HE   LYS  32           HE2      LYS  32  -7.626   3.748   4.837
  237   1HZ   LYS  32           HZ1      LYS  32  -9.857   3.867   5.841
  238   2HZ   LYS  32           HZ2      LYS  32  -8.741   3.033   6.813
  239   3HZ   LYS  32           HZ3      LYS  32  -9.901   2.174   5.915
  240    H    LEU  33           HN       LEU  33 -10.911   0.791   0.722
  241    HA   LEU  33           HA       LEU  33 -12.862  -1.405   0.542
  242   2HB   LEU  33           HB1      LEU  33 -14.325   0.860   1.530
  243   1HB   LEU  33           HB2      LEU  33 -13.020   0.497   2.661
  244    HG   LEU  33           HG       LEU  33 -13.817  -1.992   2.328
  245   1HD1  LEU  33          HD11      LEU  33 -15.448  -1.672   4.193
  246   2HD1  LEU  33          HD12      LEU  33 -15.364   0.069   3.928
  247   3HD1  LEU  33          HD13      LEU  33 -13.932  -0.812   4.460
  248   1HD2  LEU  33          HD21      LEU  33 -15.421  -1.358   0.503
  249   2HD2  LEU  33          HD22      LEU  33 -16.351  -0.446   1.693
  250   3HD2  LEU  33          HD23      LEU  33 -16.196  -2.196   1.848

  No H/Q in entry =         250