*HEADER    CYTOKINE                                22-JAN-91   6I1B              
*TITLE     HIGH-RESOLUTION THREE-DIMENSIONAL STRUCTURE OF INTERLEUKIN-           
*TITLE    2 1 BETA IN SOLUTION BY THREE-AND FOUR-DIMENSIONAL NUCLEAR             
*TITLE    3 MAGNETIC RESONANCE SPECTROSCOPY                                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: INTERLEUKIN-1 BETA;                                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1                                                             
*KEYWDS    CYTOKINE                                                              
*EXPDTA    NMR                                                                   
*AUTHOR    G.M.CLORE, A.M.GRONENBORN                                             
*REVDAT   1   30-SEP-03 6I1B    0                                                


REMARK Experimental NMR restraints used to determine the
REMARK high resolution three-dimensional structure of
REMARK human interleukin-1b in solution
REMARK
REMARK Authors: G.M. Clore and A.M. Gronenborn
REMARK

A. NOE interproton distance restraints

The restraints are represented by square-well potentials with the upper (u)
and lower (l) limits given by u=i+k and l=i-j where the numbers are
entered in the order i,j,k. [Clore et al. (1986) EMBO J. 5, 2729-2735]

The NOEs are classified into three distance ranges corresponding to
strong, medium and weak NOEs. These are 1.8-2.7 A, 1.8-3.3 A and 1.8-5.0 A,
respectively. Appropriate corrections to the upper limits for distances
involving methyl, methylene and Tyr and Phe aromatic ring protons, to
account
for centre averaging, are carried out as described by Wuthrich et al.
[J. Mol. Biol. 169, 949-961 (1983)]. In addition, an extra 0.5 A is added
to the upper limits of distances involving methyl protons [Clore et al.
(1983) Biochemistry 26, 8012-8023; Wagner et al. (1987)
J. Mol. Biol. 196, 611-640].

The atom notation follows standard PDB format. The # indicates a single
wild card, and the * a full wild card. e.g. For Leu, HD* representes all the

methyl protons; for a normal methylene beta proton, HB# represents the
two protons. In these cases, the distances are calculated as centre
averages.

Note that the hard sphere van der Waals repulsion term ensures that
the minimum lower limit for all distances is the sum of the relevant
hard sphere atom radii.

set echo=false end
set wrnlev=0 end
!Ala-1
assign (resid 1 and name HA )(resid 2 and name HD1 ) 3.0 2.2 1.3 !#
assign (resid 1 and name HA )(resid 2 and name HD2 ) 3.0 2.2 1.3 !#
assign (resid 1 and name HB# )(resid 2 and name HD1 ) 3.0 3.7 2.8 ! !#
assign (resid 1 and name HB# )(resid 2 and name HD2 ) 3.0 3.7 2.8 ! !#
!Pro-2
assign (resid 2 and name HA )(resid 2 and name HB1 ) 2.5 0.7 0.2
assign (resid 2 and name HA )(resid 2 and name HB2 ) 4.0 2.2 1.0
assign (resid 2 and name HD1 )(resid 2 and name HG# ) 4.0 4.2 3.0 ! !#
assign (resid 2 and name HD2 )(resid 2 and name HG# ) 4.0 4.2 3.0 ! !#
assign (resid 2 and name HD# )(resid 3 and name HB ) 4.0 3.2 2.0 !
assign (resid 2 and name HD# )(resid 93 and name HB# ) 4.0 4.2 3.0 ! !#
!Val-3
assign (resid 3 and name HN )(resid 3 and name HA ) 4.0 2.2 1.0
assign (resid 3 and name HN )(resid 3 and name HB ) 3.0 1.2 0.5
assign (resid 3 and name HN )(resid 3 and name HG* ) 3.0 2.9 2.2 !#
assign (resid 3 and name HA )(resid 3 and name HB ) 4.0 2.2 1.0
assign (resid 3 and name HA )(resid 3 and name HG* ) 4.0 2.8 1.6 !#
assign (resid 3 and name HN )(resid 2 and name HA ) 2.5 0.7 0.2
assign (resid 3 and name HN )(resid 2 and name HB2 ) 4.0 2.2 1.0
assign (resid 3 and name HA )(resid 93 and name HA ) 4.0 2.2 1.0
assign (resid 3 and name HG* )(resid 91 and name HB1 ) 4.0 4.6 3.4 !
assign (resid 3 and name HG* )(resid 91 and name HB2 ) 4.0 4.6 3.4 !
assign (resid 3 and name HG* )(resid 46 and name HB2 ) 4.0 4.6 3.4 !
!Arg-4
assign (resid 4 and name HN )(resid 4 and name HA ) 4.0 2.2 1.0
assign (resid 4 and name HA )(resid 4 and name HB# ) 3.0 2.2 1.3 !#
assign (resid 4 and name HA )(resid 4 and name HG# ) 4.0 2.8 1.6 !#
assign (resid 4 and name HN )(resid 3 and name HA ) 2.5 0.7 0.2
assign (resid 4 and name HN )(resid 3 and name HB ) 2.5 0.7 0.2
assign (resid 4 and name HN )(resid 3 and name HG* ) 3.0 3.6 2.9 !#
assign (resid 4 and name HN )(resid 46 and name HN ) 4.0 2.2 1.0
!Ser-5
assign (resid 5 and name HN )(resid 5 and name HA ) 3.0 1.2 0.5
assign (resid 5 and name HN )(resid 5 and name HB1 ) 4.0 2.2 1.0
assign (resid 5 and name HN )(resid 5 and name HB2 ) 3.0 1.2 0.5
assign (resid 5 and name HA )(resid 5 and name HB1 ) 3.0 1.2 0.3
assign (resid 5 and name HA )(resid 5 and name HB2 ) 4.0 2.2 1.0
assign (resid 5 and name HN )(resid 4 and name HA ) 2.5 0.7 0.2
assign (resid 5 and name HN )(resid 4 and name HB# ) 3.0 2.2 1.5 !#
assign (resid 5 and name HN )(resid 4 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 5 and name HN )(resid 6 and name HN ) 4.0 2.2 1.0
assign (resid 5 and name HA )(resid 45 and name HA ) 2.5 0.7 0.2
assign (resid 5 and name HB1 )(resid 45 and name HA ) 4.0 2.2 1.0
assign (resid 5 and name HB2 )(resid 45 and name HA ) 4.0 2.2 1.0
!Leu-6
assign (resid 6 and name HN )(resid 6 and name HA ) 4.0 2.2 1.0
assign (resid 6 and name HN )(resid 6 and name HB# ) 2.5 1.3 0.8 !#
assign (resid 6 and name HN )(resid 6 and name HD* ) 3.0 2.9 2.2 !#
assign (resid 6 and name HA )(resid 6 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 6 and name HA )(resid 6 and name HD# ) 2.5 2.4 1.9 !#
assign (resid 6 and name HB# )(resid 6 and name HD* ) 2.5 3.4 2.9 ! !#
assign (resid 6 and name HN )(resid 5 and name HA ) 2.5 0.7 0.2
assign (resid 6 and name HN )(resid 5 and name HB1 ) 3.0 1.2 0.5
assign (resid 6 and name HN )(resid 5 and name HB2 ) 3.0 1.2 0.5
assign (resid 6 and name HN )(resid 7 and name HN ) 4.0 2.2 1.0
assign (resid 6 and name HN )(resid 45 and name HA ) 4.0 2.2 1.0
assign (resid 6 and name HN )(resid 43 and name HA ) 4.0 2.2 1.0
assign (resid 6 and name HN )(resid 44 and name HB1 ) 4.0 2.2 1.0
assign (resid 6 and name HN )(resid 44 and name HB2 ) 4.0 2.2 1.0
assign (resid 6 and name HN )(resid 44 and name HN ) 3.0 1.2 0.5
assign (resid 6 and name HD* )(resid 148 and name HE# ) 2.5 4.6 4.1 ! !#
!Asn-7
assign (resid 7 and name HN )(resid 7 and name HA ) 2.5 0.7 0.2
assign (resid 7 and name HN )(resid 7 and name HB2 ) 2.5 0.7 0.2
assign (resid 7 and name HN )(resid 7 and name HB1 ) 4.0 2.2 1.0
assign (resid 7 and name HA )(resid 7 and name HB2 ) 4.0 2.2 1.0
assign (resid 7 and name HA )(resid 7 and name HB1 ) 2.5 0.7 0.2
assign (resid 7 and name HN )(resid 6 and name HA ) 2.5 0.7 0.2
assign (resid 7 and name HN )(resid 6 and name HB# ) 3.0 2.2 1.5 !#
assign (resid 7 and name HN )(resid 6 and name HD* ) 3.0 3.6 2.9 !#
assign (resid 7 and name HN )(resid 8 and name HN ) 4.0 2.2 1.0
assign (resid 7 and name HA )(resid 43 and name HA ) 2.5 0.7 0.2
assign (resid 7 and name HA )(resid 43 and name HB1 ) 4.0 2.2 1.0
assign (resid 7 and name HA )(resid 43 and name HB2 ) 4.0 2.2 1.0
assign (resid 7 and name HA )(resid 41 and name HG* ) 4.0 4.6 3.4 !#
assign (resid 7 and name HA )(resid 151 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 7 and name HB1 )(resid 41 and name HG* ) 4.0 4.6 3.4 !#
assign (resid 7 and name HB2 )(resid 41 and name HG* ) 4.0 4.6 3.4 !#
assign (resid 7 and name HB1 )(resid 151 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 7 and name HB2 )(resid 151 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 7 and name HB1 )(resid 63 and name HD# ) 4.0 3.2 2.0 !#
assign (resid 7 and name HB2 )(resid 63 and name HD# ) 4.0 3.2 2.0 !#
!Cys-8
assign (resid 8 and name HN )(resid 8 and name HA ) 4.0 2.2 1.0
assign (resid 8 and name HA )(resid 8 and name HB1 ) 3.0 1.2 0.3
assign (resid 8 and name HA )(resid 8 and name HB2 ) 3.0 1.2 0.3
assign (resid 8 and name HN )(resid 7 and name HB1 ) 3.0 1.2 0.5
assign (resid 8 and name HN )(resid 7 and name HB2 ) 4.0 2.2 1.0
assign (resid 8 and name HN )(resid 9 and name HN ) 4.0 2.2 1.0
assign (resid 8 and name HN )(resid 43 and name HA ) 4.0 2.2 1.0
assign (resid 8 and name HN )(resid 41 and name HA ) 4.0 2.2 1.0
assign (resid 8 and name HN )(resid 151 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 8 and name HN )(resid 151 and name HG2# ) 3.0 2.7 1.8 !#
assign (resid 8 and name HN )(resid 41 and name HG* ) 3.0 3.6 2.9 !#
assign (resid 8 and name HA )(resid 150 and name HA ) 3.0 1.2 0.3
assign (resid 8 and name HA )(resid 151 and name HB ) 4.0 2.2 1.0
assign (resid 8 and name HA )(resid 151 and name HG* ) 4.0 4.6 3.4 !#
assign (resid 8 and name HB1 )(resid 6 and name HD* ) 4.0 4.6 3.4 !#
assign (resid 8 and name HB1 )(resid 148 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 8 and name HB1 )(resid 148 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 8 and name HB2 )(resid 6 and name HD* ) 4.0 4.6 3.4 !#
assign (resid 8 and name HB2 )(resid 148 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 8 and name HB2 )(resid 148 and name HG# ) 4.0 3.2 2.0 !#
!Thr-9
assign (resid 9 and name HN )(resid 9 and name HG2# ) 3.0 2.7 2.0 !#
assign (resid 9 and name HN )(resid 9 and name HA ) 4.0 2.2 1.0
assign (resid 9 and name HA )(resid 9 and name HB ) 2.5 0.7 0.2
assign (resid 9 and name HA )(resid 9 and name HG2# ) 2.5 1.8 1.3 !#
assign (resid 9 and name HN )(resid 8 and name HA ) 2.5 0.7 0.2
assign (resid 9 and name HN )(resid 8 and name HB1 ) 4.0 2.2 1.0
assign (resid 9 and name HN )(resid 8 and name HB2 ) 3.0 1.2 0.5
assign (resid 9 and name HN )(resid 148 and name HA ) 4.0 2.2 1.0
assign (resid 9 and name HN )(resid 150 and name HA ) 4.0 2.2 1.0
assign (resid 9 and name HN )(resid 151 and name HG2# ) 3.0 2.7 2.0 !#
assign (resid 9 and name HN )(resid 148 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 9 and name HN )(resid 149 and name HN ) 3.0 1.2 0.5
assign (resid 9 and name HA )(resid 41 and name HA ) 4.0 2.2 1.0
assign (resid 9 and name HB )(resid 39 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 9 and name HB )(resid 149 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 9 and name HG2# )(resid 41 and name HG* ) 2.5 4.6 4.1 ! !#
assign (resid 9 and name HG2# )(resid 151 and name HG* ) 2.5 4.6 4.1 ! !#
assign (resid 9 and name HG2# )(resid 39 and name HB# ) 4.0 4.7 3.5 ! !#
assign (resid 9 and name HG2# )(resid 39 and name HG# ) 4.0 4.7 3.5 ! !#
!Leu-10
assign (resid 10 and name HN )(resid 10 and name HA ) 4.0 2.2 1.0
assign (resid 10 and name HN )(resid 10 and name HB2 ) 3.0 1.2 0.5
assign (resid 10 and name HN )(resid 10 and name HB1 ) 4.0 2.2 1.0
assign (resid 10 and name HN )(resid 10 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 10 and name HN )(resid 10 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 10 and name HA )(resid 10 and name HB2 ) 4.0 2.2 1.0
assign (resid 10 and name HA )(resid 10 and name HB1 ) 3.0 1.2 0.3
assign (resid 10 and name HA )(resid 10 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 10 and name HA )(resid 10 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 10 and name HA )(resid 10 and name HG ) 4.0 2.2 1.0
assign (resid 10 and name HD1# )(resid 10 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 10 and name HD1# )(resid 10 and name HB2 ) 3.0 2.7 1.8 !
assign (resid 10 and name HD2# )(resid 10 and name HB2 ) 4.0 3.7 2.5 !
assign (resid 10 and name HD2# )(resid 10 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 10 and name HN )(resid 9 and name HA ) 2.5 0.7 0.2
assign (resid 10 and name HN )(resid 9 and name HB ) 3.0 1.2 0.5
assign (resid 10 and name HN )(resid 9 and name HG2# ) 3.0 2.7 2.0 !#
assign (resid 10 and name HN )(resid 11 and name HN ) 4.0 2.2 1.0
assign (resid 10 and name HN )(resid 42 and name HD# ) 4.0 4.2 3.0 !#
assign (resid 10 and name HN )(resid 18 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 10 and name HN )(resid 18 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 10 and name HA )(resid 148 and name HA ) 3.0 1.2 0.3
assign (resid 10 and name HA )(resid 148 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 10 and name HD2# )(resid 110 and name HD1# ) 4.0 5.2 4.0 ! !#
assign (resid 10 and name HD2# )(resid 146 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 10 and name HD2# )(resid 146 and name HB2 ) 4.0 3.7 2.5 !
assign (resid 10 and name HD2# )(resid 148 and name HB# ) 3.0 3.7 2.8 ! !#
assign (resid 10 and name HD2# )(resid 148 and name HG# ) 3.0 3.7 2.8 ! !#
assign (resid 10 and name HD1# )(resid 18 and name HD1# ) 4.0 5.2 4.0 ! !#
assign (resid 10 and name HD1# )(resid 60 and name HD1# ) 4.0 5.2 4.0 ! !#
assign (resid 10 and name HD1# )(resid 60 and name HD2# ) 4.0 5.2 4.0 ! !#
!Arg-11
assign (resid 11 and name HN )(resid 11 and name HA ) 2.5 0.7 0.2
assign (resid 11 and name HN )(resid 11 and name HB# ) 3.0 1.8 1.1 !#
assign (resid 11 and name HN )(resid 11 and name HD# ) 4.0 3.2 2.0 !#
assign (resid 11 and name HA )(resid 11 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 11 and name HB# )(resid 11 and name HD# ) 4.0 4.2 3.0 ! !#
assign (resid 11 and name HN )(resid 10 and name HA ) 2.5 0.7 0.2
assign (resid 11 and name HN )(resid 10 and name HD2# ) 3.0 2.7 2.0 !#
assign (resid 11 and name HN )(resid 10 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 11 and name HN )(resid 10 and name HB2 ) 4.0 2.2 1.0
assign (resid 11 and name HN )(resid 10 and name HB1 ) 3.0 1.2 0.5
assign (resid 11 and name HN )(resid 17 and name HA ) 4.0 2.2 1.0
assign (resid 11 and name HN )(resid 148 and name HA ) 3.0 1.2 0.5
assign (resid 11 and name HN )(resid 147 and name HN ) 3.0 1.2 0.5
assign (resid 11 and name HN )(resid 146 and name HD2 ) 4.0 2.2 1.0
assign (resid 11 and name HN )(resid 18 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 11 and name HN )(resid 18 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 11 and name HA )(resid 17 and name HA ) 2.5 0.7 0.2
assign (resid 11 and name HA )(resid 18 and name HD1# ) 4.0 3.7 2.5 !#
!Asp-12
assign (resid 12 and name HN )(resid 12 and name HA ) 4.0 2.2 1.0
assign (resid 12 and name HN )(resid 12 and name HB2 ) 4.0 2.2 1.0
assign (resid 12 and name HN )(resid 12 and name HB1 ) 2.5 0.7 0.2
assign (resid 12 and name HA )(resid 12 and name HB2 ) 3.0 1.2 0.3
assign (resid 12 and name HA )(resid 12 and name HB1 ) 3.0 1.2 0.3
assign (resid 12 and name HN )(resid 11 and name HA ) 2.5 0.7 0.2
assign (resid 12 and name HN )(resid 12 and name HB# ) 3.0 1.8 1.1 !#
assign (resid 12 and name HN )(resid 13 and name HN ) 4.0 2.2 1.0
assign (resid 12 and name HN )(resid 16 and name HN ) 4.0 2.2 1.0
assign (resid 12 and name HN )(resid 15 and name HA ) 4.0 2.2 1.0
assign (resid 12 and name HN )(resid 17 and name HA ) 4.0 2.2 1.0
assign (resid 12 and name HN )(resid 18 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 12 and name HN )(resid 146 and name HD2 ) 4.0 2.2 1.0
assign (resid 12 and name HA )(resid 146 and name HA ) 2.5 0.7 0.2
assign (resid 12 and name HB2 )(resid 143 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 12 and name HB1 )(resid 143 and name HG2# ) 4.0 3.7 2.5 !#
!Ser-13
assign (resid 13 and name HN )(resid 13 and name HA ) 2.5 0.7 0.2
assign (resid 13 and name HN )(resid 13 and name HB1 ) 2.5 0.7 0.2
assign (resid 13 and name HA )(resid 13 and name HB2 ) 2.5 0.7 0.2
assign (resid 13 and name HA )(resid 13 and name HB1 ) 2.5 0.7 0.2
assign (resid 13 and name HN )(resid 12 and name HA ) 4.0 2.2 1.0
assign (resid 13 and name HN )(resid 12 and name HB2 ) 2.5 0.7 0.2
assign (resid 13 and name HN )(resid 12 and name HB1 ) 4.0 2.2 1.0
assign (resid 13 and name HN )(resid 14 and name HN ) 3.0 1.2 0.5
assign (resid 13 and name HN )(resid 15 and name HN ) 4.0 2.2 1.0
assign (resid 13 and name HN )(resid 146 and name HA ) 4.0 2.2 1.0
assign (resid 13 and name HN )(resid 143 and name HG2# ) 2.5 2.2 1.7 !#
assign (resid 13 and name HN )(resid 143 and name HD# ) 4.0 3.7 2.5 !#
assign (resid 13 and name HA )(resid 109 and name HE# ) 3.0 2.2 1.3 !#
assign (resid 13 and name HA )(resid 147 and name HG2# ) 3.0 2.7 1.8 !#
assign (resid 13 and name HA )(resid 143 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 13 and name HA )(resid 109 and name HD# ) 4.0 3.2 2.0 !#
assign (resid 13 and name HB2 )(resid 109 and name HE# ) 4.0 3.2 2.0 !#
assign (resid 13 and name HB1 )(resid 109 and name HE# ) 4.0 3.2 2.0 !#
assign (resid 13 and name HB2 )(resid 145 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 13 and name HB1 )(resid 145 and name HB# ) 4.0 3.2 2.0 !#
!Gln-14
assign (resid 14 and name HN )(resid 14 and name HA ) 4.0 2.2 1.0
assign (resid 14 and name HN )(resid 14 and name HB1 ) 3.0 1.2 0.5
assign (resid 14 and name HN )(resid 14 and name HB2 ) 3.0 1.2 0.5
assign (resid 14 and name HN )(resid 14 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 14 and name HA )(resid 14 and name HB2 ) 2.5 0.7 0.2
assign (resid 14 and name HA )(resid 14 and name HB1 ) 4.0 2.2 1.0
assign (resid 14 and name HA )(resid 14 and name HG# ) 3.0 1.8 0.9 !#
assign (resid 14 and name HN )(resid 15 and name HN ) 2.5 0.7 0.2
assign (resid 14 and name HN )(resid 13 and name HA ) 3.0 1.2 0.5
assign (resid 14 and name HN )(resid 143 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 14 and name HN )(resid 143 and name HD# ) 4.0 3.7 2.5 !#
assign (resid 14 and name HB1 )(resid 143 and name HD# ) 4.0 3.7 2.5 !#
assign (resid 14 and name HB2 )(resid 143 and name HD# ) 4.0 3.7 2.5 !#
assign (resid 14 and name HE21 )(resid 143 and name HD# ) 4.0 4.7 2.5 ! !#
assign (resid 14 and name HE22 )(resid 143 and name HD# ) 4.0 4.7 2.5 ! !#
!Gln-15
assign (resid 15 and name HN )(resid 15 and name HA ) 2.5 0.7 0.2
assign (resid 15 and name HN )(resid 15 and name HB1 ) 4.0 2.2 1.0
assign (resid 15 and name HN )(resid 15 and name HB2 ) 3.0 1.2 0.5
assign (resid 15 and name HN )(resid 15 and name HG1 ) 3.0 2.2 1.5 !#
assign (resid 15 and name HN )(resid 15 and name HG2 ) 3.0 2.2 1.5 !#
assign (resid 15 and name HA )(resid 15 and name HB1 ) 4.0 2.2 1.0
assign (resid 15 and name HA )(resid 15 and name HB2 ) 3.0 1.2 0.3
assign (resid 15 and name HA )(resid 15 and name HG# ) 3.0 1.8 0.9 !#
assign (resid 15 and name HN )(resid 13 and name HA ) 4.0 2.2 1.0
assign (resid 15 and name HN )(resid 14 and name HA ) 4.0 2.2 1.0
assign (resid 15 and name HN )(resid 14 and name HB2 ) 4.0 2.2 1.0
assign (resid 15 and name HN )(resid 14 and name HB1 ) 3.0 1.2 0.5
assign (resid 15 and name HA )(resid 11 and name HD# ) 4.0 3.2 2.0 !#
assign (resid 15 and name HA )(resid 11 and name HG# ) 3.0 2.2 1.3 !#
assign (resid 15 and name HA )(resid 11 and name HB# ) 4.0 3.2 2.0 !#
!Lys-16
assign (resid 16 and name HN )(resid 16 and name HA ) 4.0 2.2 1.0
assign (resid 16 and name HN )(resid 16 and name HB2 ) 3.0 1.2 0.5
assign (resid 16 and name HN )(resid 16 and name HB1 ) 4.0 2.2 1.0
assign (resid 16 and name HN )(resid 16 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 16 and name HA )(resid 16 and name HB2 ) 4.0 2.2 1.0
assign (resid 16 and name HA )(resid 16 and name HB1 ) 3.0 1.2 0.3
assign (resid 16 and name HA )(resid 16 and name HG# ) 4.0 2.8 1.6 !#
assign (resid 16 and name HN )(resid 14 and name HN ) 4.0 2.2 1.0
assign (resid 16 and name HN )(resid 15 and name HA ) 3.0 1.2 0.5
assign (resid 16 and name HN )(resid 15 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 16 and name HN )(resid 15 and name HB1 ) 4.0 2.2 1.0
assign (resid 16 and name HN )(resid 14 and name HB1 ) 4.0 2.2 1.0
assign (resid 16 and name HA )(resid 30 and name HA ) 3.0 1.2 0.3
!Ser-17
assign (resid 17 and name HN )(resid 17 and name HA ) 4.0 2.2 1.0
assign (resid 17 and name HN )(resid 17 and name HB1 ) 4.0 2.2 1.0
assign (resid 17 and name HN )(resid 17 and name HB2 ) 3.0 1.2 0.5
assign (resid 17 and name HA )(resid 17 and name HB1 ) 2.5 0.7 0.2
assign (resid 17 and name HA )(resid 17 and name HB2 ) 4.0 2.2 1.0
assign (resid 17 and name HN )(resid 18 and name HN ) 4.0 2.2 1.0
assign (resid 17 and name HN )(resid 16 and name HA ) 2.5 0.7 0.2
assign (resid 17 and name HN )(resid 16 and name HB1 ) 4.0 2.2 1.0
assign (resid 17 and name HN )(resid 16 and name HB2 ) 3.0 1.2 0.5
assign (resid 17 and name HN )(resid 16 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 17 and name HA )(resid 18 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 17 and name HN )(resid 29 and name HN ) 3.0 1.2 0.5
assign (resid 17 and name HN )(resid 29 and name HD1# ) 3.0 2.7 2.0 !#
assign (resid 17 and name HA )(resid 11 and name HG# ) 2.5 1.7 1.2 !#
assign (resid 17 and name HB1 )(resid 31 and name HD* ) 3.0 3.6 2.7 !#
assign (resid 17 and name HB2 )(resid 31 and name HD* ) 3.0 3.6 2.7 !#
assign (resid 17 and name HB1 )(resid 31 and name HB1 ) 4.0 2.2 1.0
assign (resid 17 and name HB2 )(resid 31 and name HB1 ) 4.0 2.2 1.0
!Leu-18
assign (resid 18 and name HN )(resid 18 and name HA ) 4.0 2.2 1.0
assign (resid 18 and name HN )(resid 18 and name HB2 ) 2.5 0.7 0.2
assign (resid 18 and name HN )(resid 18 and name HB1 ) 4.0 2.2 1.0
assign (resid 18 and name HN )(resid 18 and name HG ) 3.0 1.2 0.5
assign (resid 18 and name HN )(resid 18 and name HD1# ) 3.0 2.7 2.0 !#
assign (resid 18 and name HN )(resid 18 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 18 and name HA )(resid 18 and name HB2 ) 4.0 2.2 1.0
assign (resid 18 and name HA )(resid 18 and name HB1 ) 2.5 0.7 0.2
assign (resid 18 and name HA )(resid 18 and name HG ) 4.0 2.2 1.0
assign (resid 18 and name HA )(resid 18 and name HD2# ) 2.5 2.2 1.7 !#
assign (resid 18 and name HA )(resid 18 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 18 and name HD1# )(resid 18 and name HB1 ) 3.0 2.7 1.8 !
assign (resid 18 and name HD2# )(resid 18 and name HB1 ) 3.0 2.7 1.8 !
assign (resid 18 and name HD1# )(resid 18 and name HB2 ) 3.0 2.7 1.8 !
assign (resid 18 and name HD2# )(resid 18 and name HB2 ) 3.0 2.7 1.8 !
assign (resid 18 and name HN )(resid 17 and name HA ) 2.5 0.7 0.2
assign (resid 18 and name HN )(resid 17 and name HB1 ) 3.0 1.2 0.5
assign (resid 18 and name HN )(resid 17 and name HB2 ) 3.0 1.2 0.5
assign (resid 18 and name HN )(resid 19 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 18 and name HN )(resid 40 and name HB ) 4.0 2.2 1.0
assign (resid 18 and name HA )(resid 28 and name HA ) 3.0 1.2 0.3
assign (resid 18 and name HD1# )(resid 10 and name HB2 ) 2.5 2.2 1.7 !
assign (resid 18 and name HD2# )(resid 12 and name HB1 ) 4.0 3.7 2.5 !
!Val-19
assign (resid 19 and name HN )(resid 19 and name HB ) 4.0 2.2 1.0
assign (resid 19 and name HN )(resid 19 and name HG1# ) 2.5 2.2 1.7 !#
assign (resid 19 and name HN )(resid 19 and name HG2# ) 2.5 2.2 1.7 !#
assign (resid 19 and name HA )(resid 19 and name HB ) 3.0 1.2 0.3
assign (resid 19 and name HA )(resid 19 and name HG2# ) 4.0 3.3 2.1 !#
assign (resid 19 and name HA )(resid 19 and name HG1# ) 2.5 1.8 1.3 !#
assign (resid 19 and name HN )(resid 18 and name HA ) 2.5 0.7 0.2
assign (resid 19 and name HN )(resid 18 and name HB2 ) 4.0 2.2 1.0
assign (resid 19 and name HN )(resid 18 and name HB1 ) 3.0 1.2 0.5
assign (resid 19 and name HA )(resid 18 and name HB2 ) 4.0 2.2 1.0
assign (resid 19 and name HN )(resid 27 and name HN ) 3.0 1.2 0.5
assign (resid 19 and name HN )(resid 28 and name HA ) 3.0 1.2 0.5
assign (resid 19 and name HA )(resid 40 and name HB ) 4.0 2.2 1.0
assign (resid 19 and name HA )(resid 40 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 19 and name HA )(resid 40 and name HG2# ) 3.0 2.7 1.8 !#
assign (resid 19 and name HA )(resid 39 and name HA ) 4.0 2.2 1.0
assign (resid 19 and name HG2# )(resid 29 and name HD2# ) 3.0 4.2 3.3 ! !#
assign (resid 19 and name HG2# )(resid 27 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 19 and name HG2# )(resid 27 and name HB2 ) 4.0 3.7 2.5 !
assign (resid 19 and name HG2# )(resid 38 and name HB# ) 3.0 3.7 2.8 ! !#
assign (resid 19 and name HG1# )(resid 29 and name HD1# ) 3.0 4.2 3.3 ! !#
assign (resid 19 and name HG1# )(resid 31 and name HD* ) 3.0 5.1 4.2 ! !#
assign (resid 19 and name HG1# )(resid 29 and name HG ) 3.0 2.7 1.8 !
assign (resid 19 and name HG2# )(resid 27 and name HE# ) 4.0 4.7 3.5 ! !#
!Met-20
assign (resid 20 and name HN )(resid 20 and name HA ) 3.0 1.2 0.5
assign (resid 20 and name HN )(resid 20 and name HB# ) 2.5 1.3 0.8 !#
assign (resid 20 and name HN )(resid 20 and name HG# ) 3.0 2.2 1.5 !#
assign (resid 20 and name HA )(resid 20 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 20 and name HA )(resid 20 and name HG# ) 4.0 2.8 1.6 !#
assign (resid 20 and name HN )(resid 19 and name HA ) 4.0 2.2 1.0
assign (resid 20 and name HN )(resid 19 and name HG2# ) 3.0 2.7 2.0 !#
assign (resid 20 and name HN )(resid 19 and name HG1# ) 3.0 2.7 2.0 !#
assign (resid 20 and name HN )(resid 27 and name HN ) 4.0 2.2 1.0
assign (resid 20 and name HN )(resid 40 and name HN ) 4.0 2.2 1.0
assign (resid 20 and name HN )(resid 40 and name HG2# ) 3.0 2.7 2.0 !#
assign (resid 20 and name HN )(resid 40 and name HG1# ) 3.0 2.7 2.0 !#
assign (resid 20 and name HA )(resid 26 and name HD* ) 2.5 3.1 2.6 !#
assign (resid 20 and name HA )(resid 40 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 20 and name HA )(resid 26 and name HA ) 2.5 0.7 0.2
assign (resid 20 and name HG# )(resid 26 and name HD* ) 4.0 5.6 4.4 ! !#
!Ser-21
assign (resid 21 and name HN )(resid 21 and name HB# ) 3.0 1.8 1.1 !#
assign (resid 21 and name HN )(resid 21 and name HA ) 4.0 2.2 1.0
assign (resid 21 and name HA )(resid 21 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 21 and name HN )(resid 22 and name HN ) 3.0 1.2 0.5
assign (resid 21 and name HN )(resid 20 and name HA ) 2.5 0.7 0.2
assign (resid 21 and name HN )(resid 20 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 21 and name HN )(resid 20 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 21 and name HN )(resid 19 and name HG2# ) 3.0 2.7 2.0 !#
assign (resid 21 and name HN )(resid 26 and name HA ) 3.0 1.2 0.5
assign (resid 21 and name HB1 )(resid 25 and name HB1 ) 4.0 2.2 1.0
assign (resid 21 and name HB2 )(resid 25 and name HB1 ) 4.0 2.2 1.0
assign (resid 21 and name HB# )(resid 25 and name HB2 ) 4.0 3.2 2.0 !
assign (resid 21 and name HB# )(resid 25 and name HG# ) 4.0 4.2 3.0 ! !#
assign (resid 21 and name HN )(resid 27 and name HN ) 4.0 2.2 1.0
assign (resid 21 and name HN )(resid 27 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 21 and name HB1 )(resid 27 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 21 and name HB2 )(resid 27 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 21 and name HB1 )(resid 27 and name HD# ) 2.5 1.7 1.2 !#
assign (resid 21 and name HB2 )(resid 27 and name HD# ) 2.5 1.7 1.2 !#
!Gly-22
assign (resid 22 and name HN )(resid 22 and name HA1 ) 2.5 0.7 0.2 !#
assign (resid 22 and name HN )(resid 22 and name HA2 ) 4.0 2.2 1.0 !#
assign (resid 22 and name HN )(resid 21 and name HA ) 3.0 1.2 0.5
assign (resid 22 and name HN )(resid 20 and name HA ) 4.0 2.2 1.0
assign (resid 22 and name HN )(resid 26 and name HA ) 4.0 2.2 1.0
assign (resid 22 and name HN )(resid 21 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 22 and name HN )(resid 23 and name HD# ) 4.0 3.2 2.0 !#
assign (resid 22 and name HN )(resid 25 and name HN ) 4.0 2.2 1.0
assign (resid 22 and name HN )(resid 25 and name HB1 ) 4.0 2.2 1.0
assign (resid 22 and name HN )(resid 25 and name HB2 ) 4.0 2.2 1.0
assign (resid 22 and name HA1 )(resid 23 and name HD1 ) 3.0 1.2 0.3 ! !#
assign (resid 22 and name HA1 )(resid 23 and name HD2 ) 3.0 1.2 0.3 ! !#
assign (resid 22 and name HA2 )(resid 23 and name HD1 ) 3.0 1.2 0.3 ! !#
assign (resid 22 and name HA2 )(resid 23 and name HD2 ) 3.0 1.2 0.3 ! !#
!Pro-23
assign (resid 23 and name HA )(resid 23 and name HB1 ) 2.5 0.7 0.2
assign (resid 23 and name HA )(resid 23 and name HB2 ) 3.0 1.2 0.3
assign (resid 23 and name HA )(resid 23 and name HG# ) 3.0 1.8 0.9 !#
assign (resid 23 and name HD1 )(resid 23 and name HG1 ) 2.5 2.7 2.2 ! !#
assign (resid 23 and name HD1 )(resid 23 and name HG2 ) 2.5 2.7 2.2 ! !#
assign (resid 23 and name HD2 )(resid 23 and name HG1 ) 2.5 2.7 2.2 ! !#
assign (resid 23 and name HD2 )(resid 23 and name HG2 ) 2.5 2.7 2.2 ! !#
assign (resid 23 and name HD1 )(resiud 23 and name HB1 ) 4.0 3.2 2.0 !
assign (resid 23 and name HD1 )(resiud 23 and name HB2 ) 4.0 3.2 2.0 !
assign (resid 23 and name HD2 )(resiud 23 and name HB1 ) 4.0 3.2 2.0 !
assign (resid 23 and name HD2 )(resiud 23 and name HB2 ) 4.0 3.2 2.0 !
!Tyr-24
assign (resid 24 and name HN )(resid 24 and name HD1 ) 3.0 1.2 0.5
assign (resid 24 and name HN )(resid 24 and name HA ) 3.0 1.2 0.5
assign (resid 24 and name HN )(resid 24 and name HB1 ) 4.0 2.2 1.0
assign (resid 24 and name HN )(resid 24 and name HB2 ) 3.0 1.2 0.5
assign (resid 24 and name HA )(resid 24 and name HB1 ) 4.0 2.2 1.0
assign (resid 24 and name HA )(resid 24 and name HB2 ) 4.0 2.2 1.0
assign (resid 24 and name HD2 )(resid 24 and name HA ) 2.5 0.7 0.2
assign (resid 24 and name HD2 )(resid 24 and name HB1 ) 2.5 0.7 0.2
assign (resid 24 and name HD1 )(resid 24 and name HB2 ) 2.5 0.7 0.2
assign (resid 24 and name HE2 )(resid 24 and name HB1 ) 4.0 2.2 1.0
assign (resid 24 and name HE1 )(resid 24 and name HB2 ) 4.0 2.2 1.0
assign (resid 24 and name HN )(resid 25 and name HN ) 2.5 0.7 0.2
assign (resid 24 and name HN )(resid 23 and name HB1 ) 3.0 1.2 0.5
assign (resid 24 and name HN )(resid 23 and name HB2 ) 3.0 1.2 0.5
assign (resid 24 and name HN )(resid 22 and name HA2 ) 4.0 2.2 1.0 !#
assign (resid 24 and name HN )(resid 23 and name HG1 ) 3.0 2.2 1.5 !#
assign (resid 24 and name HN )(resid 23 and name HG2 ) 3.0 2.2 1.5 !#
assign (resid 24 and name HN )(resid 23 and name HD# ) 3.0 2.2 1.5 !#
assign (resid 24 and name HD1 )(resid 23 and name HB1 ) 4.0 2.2 1.0
assign (resid 24 and name HD1 )(resid 23 and name HB2 ) 3.0 1.2 0.3
assign (resid 24 and name HD1 )(resid 23 and name HG# ) 3.0 2.2 1.3 !#
assign (resid 24 and name HE1 )(resid 23 and name HB2 ) 3.0 1.2 0.3
assign (resid 24 and name HE1 )(resid 23 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 24 and name HA )(resid 67 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 24 and name HA )(resid 67 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 24 and name HA )(resid 82 and name HD1# ) 3.0 2.7 1.8 !#
assign (resid 24 and name HA )(resid 82 and name HB2 ) 3.0 1.2 0.3
assign (resid 24 and name HD2 )(resid 67 and name HD* ) 2.5 3.1 2.6 !#
assign (resid 24 and name HD2 )(resid 82 and name HD1# ) 3.0 2.7 1.8 !#
assign (resid 24 and name HD2 )(resid 82 and name HB2 ) 3.0 1.2 0.3
assign (resid 24 and name HD2 )(resid 82 and name HB1 ) 4.0 2.2 1.0
assign (resid 24 and name HE2 )(resid 82 and name HB1 ) 4.0 2.2 1.0
assign (resid 24 and name HE2 )(resid 82 and name HB2 ) 4.0 2.2 1.0
assign (resid 24 and name HE2 )(resid 84 and name HB# ) 4.0 3.2 2.0 !#
!Glu-25
assign (resid 25 and name HN )(resid 25 and name HB1 ) 4.0 2.2 1.0
assign (resid 25 and name HN )(resid 25 and name HB2 ) 3.0 1.2 0.5
assign (resid 25 and name HN )(resid 25 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 25 and name HA )(resid 25 and name HG# ) 3.0 1.8 0.9 !#
assign (resid 25 and name HA )(resid 25 and name HB1 ) 3.0 1.2 0.3
assign (resid 25 and name HA )(resid 25 and name HB2 ) 2.5 0.7 0.2
assign (resid 25 and name HN )(resid 22 and name HN ) 4.0 2.2 1.0
assign (resid 25 and name HN )(resid 26 and name HN ) 4.0 2.2 1.0
assign (resid 25 and name HN )(resid 24 and name HA ) 3.0 1.2 0.5
assign (resid 25 and name HN )(resid 20 and name HA ) 4.0 2.2 1.0
assign (resid 25 and name HN )(resid 24 and name HB1 ) 4.0 2.2 1.0
assign (resid 25 and name HN )(resid 24 and name HB2 ) 4.0 2.2 1.0
assign (resid 25 and name HN )(resid 23 and name HA ) 4.0 2.2 1.0
assign (resid 25 and name HN )(resid 26 and name HD* ) 4.0 4.6 3.4 !#
assign (resid 25 and name HN )(resid 82 and name HD1# ) 3.0 2.7 2.0 !#
assign (resid 25 and name HA )(resid 82 and name HD1# ) 3.0 2.7 1.8 !#
assign (resid 25 and name HN )(resid 82 and name HB2 ) 4.0 2.2 1.0
!Leu-26
assign (resid 26 and name HN )(resid 26 and name HA ) 3.0 1.2 0.5
assign (resid 26 and name HN )(resid 26 and name HB2 ) 2.5 0.7 0.2
assign (resid 26 and name HN )(resid 26 and name HB1 ) 4.0 2.2 1.0
assign (resid 26 and name HN )(resid 26 and name HD# ) 3.0 2.9 2.2 !#
assign (resid 26 and name HA )(resid 26 and name HB2 ) 4.0 2.2 1.0
assign (resid 26 and name HA )(resid 26 and name HB1 ) 3.0 1.2 0.3
assign (resid 26 and name HA )(resid 26 and name HD* ) 2.5 2.4 1.9 !#
assign (resid 26 and name HD* )(resid 26 and name HB2 ) 2.5 2.4 1.9 !
assign (resid 26 and name HD* )(resid 26 and name HB1 ) 4.0 3.9 2.7 !
assign (resid 26 and name HN )(resid 27 and name HN ) 4.0 2.2 1.0
assign (resid 26 and name HN )(resid 25 and name HA ) 4.0 2.2 1.0
assign (resid 26 and name HN )(resid 25 and name HG# ) 3.0 2.2 1.5 !#
assign (resid 26 and name HN )(resid 25 and name HB1 ) 3.0 1.2 0.5
assign (resid 26 and name HN )(resid 25 and name HB2 ) 4.0 2.2 1.0
assign (resid 26 and name HN )(resid 82 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 26 and name HN )(resid 132 and name HN ) 4.0 2.2 1.0
assign (resid 26 and name HN )(resid 132 and name HB ) 4.0 2.2 1.0
assign (resid 26 and name HD* )(resid 132 and name HB ) 4.0 4.6 3.4 !
assign (resid 26 and name HD* )(resid 62 and name HD2# ) 3.0 5.1 4.2 ! !#
assign (resid 26 and name HD* )(resid 69 and name HD* ) 3.0 6.0 5.1 ! !#
!Lys-27
assign (resid 27 and name HN )(resid 27 and name HB# ) 3.0 1.8 1.1 !#
assign (resid 27 and name HN )(resid 27 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 27 and name HA )(resid 27 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 27 and name HN )(resid 28 and name HN ) 4.0 2.2 1.0
assign (resid 27 and name HN )(resid 26 and name HA ) 2.5 0.7 0.2
assign (resid 27 and name HN )(resid 26 and name HB2 ) 4.0 2.2 1.0
assign (resid 27 and name HN )(resid 26 and name HB1 ) 2.5 0.7 0.2
assign (resid 27 and name HN )(resid 26 and name HD* ) 3.0 3.6 2.9 !#
assign (resid 27 and name HN )(resid 18 and name HA ) 4.0 2.2 1.0
assign (resid 27 and name HN )(resid 20 and name HA ) 4.0 2.2 1.0
assign (resid 27 and name HN )(resid 19 and name HG1# ) 3.0 2.7 2.0 !#
assign (resid 27 and name HA )(resid 132 and name HG* ) 2.5 3.1 2.6 !#
assign (resid 27 and name HA )(resid 131 and name HA ) 2.5 0.7 0.2
!Ala-28
assign (resid 28 and name HN )(resid 28 and name HB# ) 2.5 1.8 1.3 !#
assign (resid 28 and name HN )(resid 28 and name HA ) 4.0 2.2 1.0
assign (resid 28 and name HN )(resid 27 and name HA ) 2.5 0.7 0.2
assign (resid 28 and name HN )(resid 27 and name HB# ) 3.0 2.2 1.5 !#
assign (resid 28 and name HN )(resid 27 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 28 and name HN )(resid 130 and name HN ) 4.0 2.2 1.0
assign (resid 28 and name HN )(resid 132 and name HN ) 4.0 2.2 1.0
assign (resid 28 and name HN )(resid 131 and name HA ) 4.0 2.2 1.0
assign (resid 28 and name HN )(resid 132 and name HG* ) 3.0 3.6 2.9 !#
assign (resid 28 and name HN )(resid 19 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 28 and name HN )(resid 18 and name HD2# ) 3.0 2.7 2.0 !#
assign (resid 28 and name HB# )(resid 16 and name HB# ) 4.0 4.7 3.5 ! !#
assign (resid 28 and name HB# )(resid 16 and name HD# ) 4.0 4.7 3.5 ! !#
assign (resid 28 and name HB# )(resid 16 and name HE# ) 3.0 3.7 2.8 ! !#
assign (resid 28 and name HB# )(resid 18 and name HD2# ) 3.0 4.2 3.3 ! !#
assign (resid 28 and name HB# )(resid 132 and name HG* ) 3.0 5.1 4.2 ! !#
assign (resid 28 and name HB# )(resid 124 and name HG2# ) 2.5 3.7 3.2 ! !#
!Leu-29
assign (resid 29 and name HN )(resid 29 and name HA ) 4.0 2.2 1.0
assign (resid 29 and name HN )(resid 29 and name HB1 ) 3.0 1.2 0.5
assign (resid 29 and name HN )(resid 29 and name HB2 ) 4.0 2.2 1.0
assign (resid 29 and name HN )(resid 29 and name HG# ) 4.0 2.2 1.0
assign (resid 29 and name HN )(resid 29 and name HD1# ) 2.5 2.2 1.7 !#
assign (resid 29 and name HA )(resid 29 and name HB1 ) 2.5 0.7 0.2
assign (resid 29 and name HA )(resid 29 and name HB2 ) 4.0 2.2 1.0
assign (resid 29 and name HA )(resid 29 and name HG ) 4.0 2.2 1.0
assign (resid 29 and name HA )(resid 29 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 29 and name HA )(resid 29 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 29 and name HD1# )(resid 29 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 29 and name HD1# )(resid 29 and name HB2 ) 3.0 2.7 1.8 !
assign (resid 29 and name HD2# )(resid 29 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 29 and name HD2# )(resid 29 and name HB2 ) 3.0 2.7 1.8 !
assign (resid 29 and name HN )(resid 28 and name HA ) 2.5 0.7 0.2
assign (resid 29 and name HN )(resid 28 and name HB# ) 2.5 2.2 1.7 !#
assign (resid 29 and name HA )(resid 28 and name HB# ) 4.0 3.7 2.5 !#
assign (resid 29 and name HN )(resid 30 and name HN ) 4.0 2.2 1.0
assign (resid 29 and name HN )(resid 18 and name HA ) 4.0 2.2 1.0
assign (resid 29 and name HN )(resid 16 and name HA ) 4.0 2.2 1.0
assign (resid 29 and name HN )(resid 19 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 29 and name HA )(resid 128 and name HA ) 4.0 2.2 1.0
!His-30
assign (resid 30 and name HN )(resid 30 and name HB1 ) 4.0 2.2 1.0
assign (resid 30 and name HN )(resid 30 and name HB2 ) 3.0 1.2 0.5
assign (resid 30 and name HA )(resid 30 and name HB1 ) 4.0 2.2 1.0
assign (resid 30 and name HA )(resid 30 and name HB2 ) 4.0 2.2 1.0
assign (resid 30 and name HB1 )(resid 30 and name HD2 ) 4.0 2.2 1.0
assign (resid 30 and name HN )(resid 29 and name HA ) 3.0 1.2 0.5
assign (resid 30 and name HN )(resid 29 and name HB1 ) 3.0 1.2 0.5
assign (resid 30 and name HN )(resid 29 and name HB2 ) 4.0 2.2 1.0
assign (resid 30 and name HN )(resid 29 and name HG ) 4.0 2.2 1.0
assign (resid 30 and name HN )(resid 29 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 30 and name HN )(resid 29 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 30 and name HN )(resid 16 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 30 and name HE1 )(resid 16 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 30 and name HE1 )(resid 16 and name HD# ) 3.0 2.2 1.3 !#
assign (resid 30 and name HE1 )(resid 14 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 30 and name HD2 )(resid 15 and name HB1 ) 4.0 2.2 1.0
assign (resid 30 and name HD2 )(resid 16 and name HA ) 4.0 2.2 1.0
assign (resid 30 and name HD2 )(resid 16 and name HG# ) 4.0 3.2 2.0 !#
!Leu-31
assign (resid 31 and name HN )(resid 31 and name HA ) 4.0 2.2 1.0
assign (resid 31 and name HN )(resid 31 and name HB1 ) 3.0 1.2 0.5
assign (resid 31 and name HN )(resid 31 and name HB2 ) 3.0 1.2 0.5
assign (resid 31 and name HA )(resid 31 and name HB1 ) 4.0 2.2 1.0
assign (resid 31 and name HA )(resid 31 and name HB2 ) 3.0 1.2 0.3
assign (resid 31 and name HA )(resid 31 and name HD1# ) 2.5 2.2 1.7 !#
assign (resid 31 and name HN )(resid 31 and name HG ) 4.0 2.2 1.0
assign (resid 31 and name HN )(resid 32 and name HN ) 4.0 2.2 1.0
assign (resid 31 and name HN )(resid 30 and name HB1 ) 4.0 2.2 1.0
assign (resid 31 and name HN )(resid 30 and name HB2 ) 4.0 2.2 1.0
assign (resid 31 and name HN )(resid 29 and name HD1# ) 3.0 2.7 2.0 !#
assign (resid 31 and name HA )(resid 32 and name HB1 ) 4.0 2.2 1.0
assign (resid 31 and name HN )(resid 17 and name HN ) 4.0 2.2 1.0
assign (resid 31 and name HN )(resid 16 and name HA ) 4.0 2.2 1.0
assign (resid 31 and name HD1# )(resid 38 and name HG# ) 4.0 4.7 3.5 ! !#
assign (resid 31 and name HD2# )(resid 38 and name HG# ) 4.0 4.7 3.5 ! !#
!Gln-32
assign (resid 32 and name HN )(resid 32 and name HA ) 3.0 1.2 0.5
assign (resid 32 and name HN )(resid 32 and name HB2 ) 4.0 2.2 1.0
assign (resid 32 and name HN )(resid 32 and name HB1 ) 3.0 1.2 0.5
assign (resid 32 and name HN )(resid 32 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 32 and name HA )(resid 32 and name HB2 ) 2.5 0.7 0.2
assign (resid 32 and name HA )(resid 32 and name HB1 ) 4.0 2.2 1.0
assign (resid 32 and name HA )(resid 32 and name HG# ) 3.0 1.8 0.9 !#
assign (resid 32 and name HN )(resid 33 and name HN ) 4.0 2.2 1.0
assign (resid 32 and name HN )(resid 35 and name HN ) 4.0 2.2 1.0
assign (resid 32 and name HN )(resid 31 and name HA ) 4.0 2.2 1.0
assign (resid 32 and name HN )(resid 31 and name HB1 ) 4.0 2.2 1.0
assign (resid 32 and name HN )(resid 31 and name HB2 ) 4.0 2.2 1.0
assign (resid 32 and name HN )(resid 31 and name HD1# ) 2.5 2.2 1.7 !#
assign (resid 32 and name HN )(resid 35 and name HB2 ) 4.0 2.2 1.0
assign (resid 32 and name HN )(resid 35 and name HB1 ) 3.0 1.2 0.5
!Gly-33
assign (resid 33 and name HN )(resid 33 and name HA1 ) 3.0 1.2 0.3 !#
assign (resid 33 and name HN )(resid 33 and name HA2 ) 2.5 0.7 0.2 !#
assign (resid 33 and name HN )(resid 34 and name HN ) 4.0 2.2 1.0
assign (resid 33 and name HN )(resid 32 and name HA ) 2.5 0.7 0.2
assign (resid 33 and name HN )(resid 32 and name HB2 ) 4.0 2.2 1.0
assign (resid 33 and name HN )(resid 32 and name HB1 ) 4.0 2.2 1.0
assign (resid 33 and name HN )(resid 32 and name HG# ) 3.0 2.2 1.5 !#
assign (resid 33 and name HN )(resid 32 and name HE2# ) 4.0 3.2 2.0 !#
!Gln-34
assign (resid 34 and name HN )(resid 34 and name HA ) 3.0 1.2 0.5
assign (resid 34 and name HN )(resid 34 and name HB# ) 2.5 1.3 0.8 !#
assign (resid 34 and name HN )(resid 34 and name HG# ) 3.0 2.2 1.5 !#
assign (resid 34 and name HA )(resid 34 and name HB# ) 3.0 2.2 1.3 !#
assign (resid 34 and name HA )(resid 34 and name HG# ) 3.0 1.8 0.9 !#
assign (resid 34 and name HN )(resid 35 and name HN ) 3.0 1.2 0.5
assign (resid 34 and name HN )(resid 33 and name HA1 ) 2.5 0.7 0.2 !#
assign (resid 34 and name HN )(resid 33 and name HA2 ) 2.5 0.7 0.2 !#
!Asp-35
assign (resid 35 and name HN )(resid 35 and name HA ) 3.0 1.2 0.5
assign (resid 35 and name HN )(resid 35 and name HB2 ) 2.5 0.7 0.2
assign (resid 35 and name HN )(resid 35 and name HB1 ) 3.0 1.2 0.5
assign (resid 35 and name HA )(resid 35 and name HB2 ) 2.5 0.7 0.2
assign (resid 35 and name HA )(resid 35 and name HB1 ) 4.0 2.2 1.0
assign (resid 35 and name HN )(resid 36 and name HN ) 2.5 0.7 0.2
assign (resid 35 and name HN )(resid 34 and name HA ) 3.0 1.2 0.5
assign (resid 35 and name HN )(resid 33 and name HA1 ) 3.0 1.2 0.5 !#
assign (resid 35 and name HN )(resid 33 and name HA2 ) 4.0 2.2 1.0 !#
assign (resid 35 and name HN )(resid 34 and name HG# ) 3.0 2.2 1.5 !#
assign (resid 35 and name HN )(resid 34 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 35 and name HN )(resid 31 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 35 and name HA )(resid 34 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 35 and name HA )(resid 31 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 35 and name HB1 )(resid 31 and name HD1# ) 3.0 2.7 1.8 !#
assign (resid 35 and name HB2 )(resid 31 and name HD1# ) 4.0 3.7 2.5 !#
!Met-36
assign (resid 36 and name HN )(resid 36 and name HA ) 3.0 1.2 0.5
assign (resid 36 and name HN )(resid 36 and name HB# ) 2.5 1.3 0.8 !#
assign (resid 36 and name HN )(resid 36 and name HG# ) 3.0 2.2 1.5 !#
assign (resid 36 and name HA )(resid 36 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 36 and name HA )(resid 36 and name HG# ) 4.0 2.8 1.6 !#
assign (resid 36 and name HN )(resid 37 and name HN ) 3.0 1.2 0.5
assign (resid 36 and name HN )(resid 35 and name HA ) 3.0 1.2 0.5
assign (resid 36 and name HN )(resid 34 and name HA ) 4.0 2.2 1.0
assign (resid 36 and name HN )(resid 35 and name HB2 ) 4.0 2.2 1.0
assign (resid 36 and name HN )(resid 35 and name HB1 ) 3.0 1.2 0.5
assign (resid 36 and name HN )(resid 31 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 36 and name HN )(resid 31 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 36 and name HA )(resid 31 and name HB2 ) 4.0 2.2 1.0
assign (resid 36 and name HA )(resid 31 and name HB1 ) 4.0 2.2 1.0
assign (resid 36 and name HA )(resid 31 and name HG ) 4.0 2.2 1.0
assign (resid 36 and name HA )(resid 31 and name HD1# ) 2.5 2.2 1.7 !#
assign (resid 36 and name HA )(resid 31 and name HD2# ) 2.5 2.2 1.7 !#
!Glu-37
assign (resid 37 and name HN )(resid 37 and name HA ) 2.5 0.7 0.2
assign (resid 37 and name HN )(resid 37 and name HB1 ) 2.5 0.7 0.2
assign (resid 37 and name HN )(resid 37 and name HB2 ) 4.0 2.2 1.0
assign (resid 37 and name HN )(resid 37 and name HG# ) 2.5 1.7 1.2 !#
assign (resid 37 and name HA )(resid 37 and name HG# ) 3.0 1.8 0.9 !#
assign (resid 37 and name HA )(resid 37 and name HB# ) 3.0 2.2 1.3 !#
assign (resid 37 and name HN )(resid 38 and name HN ) 3.0 1.2 0.5
assign (resid 37 and name HN )(resid 39 and name HN ) 4.0 2.2 1.0
assign (resid 37 and name HN )(resid 35 and name HA ) 4.0 2.2 1.0
assign (resid 37 and name HN )(resid 36 and name HG# ) 4.0 3.2 2.0 !#
!Gln-38
assign (resid 38 and name HN )(resid 38 and name HA ) 2.5 0.7 0.2
assign (resid 38 and name HN )(resid 38 and name HB# ) 2.5 1.3 0.8 !#
assign (resid 38 and name HN )(resid 38 and name HG# ) 2.5 1.7 1.2 !#
assign (resid 38 and name HA )(resid 38 and name HB1 ) 3.0 1.2 0.3
assign (resid 38 and name HA )(resid 38 and name HB2 ) 3.0 1.2 0.3
assign (resid 38 and name HA )(resid 38 and name HG1 ) 4.0 2.8 1.6 !#
assign (resid 38 and name HA )(resid 38 and name HG2 ) 4.0 2.8 1.6 !#
assign (resid 38 and name HN )(resid 39 and name HN ) 2.5 0.7 0.2
assign (resid 38 and name HN )(resid 36 and name HN ) 4.0 2.2 1.0
assign (resid 38 and name HE21 )(resid 31 and name HD1# ) 4.0 4.7 2.5 ! !#
assign (resid 38 and name HE22 )(resid 31 and name HD1# ) 4.0 4.7 2.5 ! !#
assign (resid 38 and name HE21 )(resid 31 and name HD2# ) 4.0 4.7 2.5 ! !#
assign (resid 38 and name HE22 )(resid 31 and name HD2# ) 4.0 4.7 2.5 ! !#
!Gln-39
assign (resid 39 and name HN )(resid 39 and name HA ) 3.0 1.2 0.5
assign (resid 39 and name HN )(resid 39 and name HG# ) 3.0 2.2 1.5 !#
assign (resid 39 and name HN )(resid 39 and name HB# ) 2.5 1.3 0.8 !#
assign (resid 39 and name HA )(resid 39 and name HB# ) 3.0 2.2 1.3 !#
assign (resid 39 and name HN )(resid 40 and name HN ) 4.0 2.2 1.0
assign (resid 39 and name HN )(resid 37 and name HN ) 4.0 2.2 1.0
assign (resid 39 and name HN )(resid 38 and name HA ) 2.5 0.7 0.2
assign (resid 39 and name HN )(resid 38 and name HB# ) 3.0 2.2 1.5 !#
assign (resid 39 and name HA )(resid 40 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 39 and name HN )(resid 19 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 39 and name HN )(resid 31 and name HD2# ) 3.0 2.7 2.0 !#
assign (resid 39 and name HA )(resid 19 and name HG1# ) 3.0 2.7 1.8 !#
assign (resid 39 and name HA )(resid 31 and name HD* ) 4.0 4.6 3.4 !#
assign (resid 39 and name HE21 )(resid 37 and name HA ) 4.0 3.2 1.0 !
assign (resid 39 and name HE21 )(resid 9 and name HG2# ) 3.0 3.7 1.8 ! !#
assign (resid 39 and name HE22 )(resid 9 and name HG2# ) 4.0 4.7 2.5 ! !#
!Val-40
assign (resid 40 and name HN )(resid 40 and name HA ) 3.0 1.2 0.5
assign (resid 40 and name HN )(resid 40 and name HB ) 3.0 1.2 0.5
assign (resid 40 and name HN )(resid 40 and name HG2# ) 2.5 2.2 1.7 !#
assign (resid 40 and name HN )(resid 40 and name HG1# ) 3.0 2.7 2.0 !#
assign (resid 40 and name HA )(resid 40 and name HB ) 3.0 1.2 0.3
assign (resid 40 and name HA )(resid 40 and name HG2# ) 2.5 1.8 1.3 !#
assign (resid 40 and name HA )(resid 40 and name HG1# ) 2.5 1.8 1.3 !#
assign (resid 40 and name HN )(resid 41 and name HN ) 4.0 2.2 1.0
assign (resid 40 and name HN )(resid 39 and name HA ) 2.5 0.7 0.2
assign (resid 40 and name HN )(resid 39 and name HB# ) 3.0 2.2 1.5 !#
assign (resid 40 and name HN )(resid 39 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 40 and name HA )(resid 41 and name HG* ) 4.0 4.6 3.4 !#
assign (resid 40 and name HN )(resid 19 and name HG1# ) 3.0 2.7 2.0 !#
assign (resid 40 and name HB )(resid 18 and name HB1 ) 4.0 2.2 1.0
assign (resid 40 and name HG2# )(resid 20 and name HG# ) 4.0 4.7 3.5 ! !#
assign (resid 40 and name HG2# )(resid 26 and name HD* ) 4.0 6.1 4.9 ! !#
assign (resid 40 and name HG2# )(resid 18 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 40 and name HG2# )(resid 18 and name HB2 ) 4.0 3.7 2.5 !
assign (resid 40 and name HG1# )(resid 62 and name HD2# ) 4.0 5.2 4.0 ! !#
assign (resid 40 and name HG1# )(resid 62 and name HG ) 4.0 3.7 2.5 !
assign (resid 40 and name HG1# )(resid 20 and name HG# ) 4.0 4.7 3.5 ! !#
assign (resid 40 and name HG1# )(resid 62 and name HD1# ) 4.0 5.2 4.0 ! !#
!Val-41
assign (resid 41 and name HN )(resid 41 and name HA ) 4.0 2.2 1.0
assign (resid 41 and name HN )(resid 41 and name HB ) 4.0 2.2 1.0
assign (resid 41 and name HN )(resid 41 and name HG* ) 2.5 2.4 1.9 !#
assign (resid 41 and name HA )(resid 41 and name HB ) 4.0 2.2 1.0
assign (resid 41 and name HA )(resid 41 and name HG* ) 2.5 1.3 0.8 !#
assign (resid 41 and name HN )(resid 42 and name HN ) 4.0 2.2 1.0
assign (resid 41 and name HN )(resid 40 and name HA ) 2.5 0.7 0.2
assign (resid 41 and name HN )(resid 40 and name HB ) 3.0 1.2 0.5
assign (resid 41 and name HN )(resid 40 and name HG2# ) 3.0 2.7 2.0 !#
assign (resid 41 and name HN )(resid 40 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 41 and name HA )(resid 39 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 41 and name HG* )(resid 39 and name HG# ) 2.5 4.1 3.6 ! !#
assign (resid 41 and name HN )(resid 63 and name HN ) 4.0 2.2 1.0
assign (resid 41 and name HA )(resid 151 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 41 and name HA )(resid 9 and name HG2# ) 2.5 2.2 1.7 !#
assign (resid 41 and name HG* )(resid 63 and name HB# ) 3.0 4.6 3.7 ! !#
assign (resid 41 and name HG* )(resid 151 and name HG* ) 4.0 7.0 5.8 ! !#
!Phe-42
assign (resid 42 and name HN )(resid 42 and name HD2 ) 3.0 1.2 0.5
assign (resid 42 and name HN )(resid 42 and name HA ) 4.0 2.2 1.0
assign (resid 42 and name HN )(resid 42 and name HB2 ) 2.5 0.7 0.2
assign (resid 42 and name HN )(resid 42 and name HB1 ) 4.0 2.2 1.0
assign (resid 42 and name HA )(resid 42 and name HB2 ) 4.0 2.2 1.0
assign (resid 42 and name HA )(resid 42 and name HB1 ) 2.5 0.7 0.2
assign (resid 42 and name HA )(resid 42 and name HD1 ) 3.0 1.2 0.3
assign (resid 42 and name HD1 )(resid 42 and name HB2 ) 3.0 1.2 0.5
assign (resid 42 and name HD2 )(resid 42 and name HB1 ) 4.0 2.2 1.0
assign (resid 42 and name HN )(resid 43 and name HN ) 4.0 2.2 1.0
assign (resid 42 and name HN )(resid 41 and name HA ) 2.5 0.7 0.2
assign (resid 42 and name HN )(resid 41 and name HB ) 4.0 2.2 1.0
assign (resid 42 and name HN )(resid 41 and name HG* ) 2.5 3.1 2.6 !#
assign (resid 42 and name HA )(resid 40 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 42 and name HD# )(resid 40 and name HG1# ) 4.0 5.7 4.5 ! !#
assign (resid 42 and name HE# )(resid 40 and name HG* ) 4.0 6.6 5.4 ! !#
assign (resid 42 and name HZ )(resid 40 and name HG* ) 4.0 4.6 3.4 !#
assign (resid 42 and name HA )(resid 62 and name HA ) 2.5 0.7 0.2
assign (resid 42 and name HA )(resid 62 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 42 and name HD1 )(resid 60 and name HB2 ) 4.0 2.2 1.0
assign (resid 42 and name HD2 )(resid 10 and name HB1 ) 4.0 2.2 1.0
assign (resid 42 and name HD2 )(resid 10 and name HB2 ) 4.0 2.2 1.0
assign (resid 42 and name HD1 )(resid 62 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 42 and name HD1 )(resid 69 and name HD1# ) 3.0 2.7 1.8 !#
assign (resid 42 and name HD2 )(resid 10 and name HG ) 3.0 1.2 0.3
assign (resid 42 and name HD2 )(resid 10 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 42 and name HD2 )(resid 9 and name HA ) 2.5 0.7 0.2
assign (resid 42 and name HD1 )(resid 62 and name HA ) 4.0 2.2 1.0
assign (resid 42 and name HD1 )(resid 60 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 42 and name HE2 )(resid 18 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 42 and name HE2 )(resid 18 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 42 and name HE1 )(resid 26 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 42 and name HE1 )(resid 26 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 42 and name HE1 )(resid 69 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 42 and name HE1 )(resid 69 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 42 and name HE1 )(resid 62 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 42 and name HE1 )(resid 82 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 42 and name HE2 )(resid 9 and name HA ) 3.0 1.2 0.3
assign (resid 42 and name HZ )(resid 69 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 42 and name HZ )(resid 69 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 42 and name HZ )(resid 18 and name HD* ) 3.0 3.6 2.7 !#
assign (resid 42 and name HZ )(resid 26 and name HD* ) 3.0 3.6 2.7 !#
assign (resid 42 and name HZ )(resid 62 and name HD2# ) 4.0 3.7 2.5 !#
!Ser-43
assign (resid 43 and name HN )(resid 43 and name HA ) 4.0 2.2 1.0
assign (resid 43 and name HN )(resid 43 and name HB1 ) 3.0 1.2 0.5
assign (resid 43 and name HN )(resid 43 and name HB2 ) 4.0 2.2 1.0
assign (resid 43 and name HA )(resid 43 and name HB1 ) 3.0 1.2 0.3
assign (resid 43 and name HA )(resid 43 and name HB2 ) 2.5 0.7 0.2
assign (resid 43 and name HN )(resid 42 and name HD1 ) 4.0 2.2 1.0
assign (resid 43 and name HN )(resid 42 and name HA ) 2.5 0.7 0.2
assign (resid 43 and name HN )(resid 42 and name HB2 ) 4.0 2.2 1.0
assign (resid 43 and name HN )(resid 42 and name HB1 ) 3.0 1.2 0.5
assign (resid 43 and name HN )(resid 61 and name HN ) 4.0 2.2 1.0
assign (resid 43 and name HN )(resid 63 and name HN ) 4.0 2.2 1.0
assign (resid 43 and name HN )(resid 62 and name HA ) 4.0 2.2 1.0
assign (resid 43 and name HB2 )(resid 63 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 43 and name HB2 )(resid 63 and name HA ) 4.0 2.2 1.0
!Met-44
assign (resid 44 and name HN )(resid 44 and name HA ) 4.0 2.2 1.0
assign (resid 44 and name HN )(resid 44 and name HB1 ) 4.0 2.2 1.0
assign (resid 44 and name HN )(resid 44 and name HB2 ) 4.0 2.2 1.0
assign (resid 44 and name HN )(resid 44 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 44 and name HA )(resid 44 and name HB1 ) 4.0 2.2 1.0
assign (resid 44 and name HA )(resid 44 and name HB2 ) 3.0 1.2 0.3
assign (resid 44 and name HN )(resid 43 and name HA ) 2.5 0.7 0.2
assign (resid 44 and name HN )(resid 43 and name HB1 ) 4.0 2.2 1.0
assign (resid 44 and name HN )(resid 43 and name HB2 ) 4.0 2.2 1.0
assign (resid 44 and name HN )(resid 7 and name HA ) 3.0 1.2 0.5
assign (resid 44 and name HN )(resid 6 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 44 and name HN )(resid 6 and name HD* ) 4.0 4.6 3.4 !#
assign (resid 44 and name HA )(resid 60 and name HD2# ) 3.0 2.7 1.8 !#
assign (resid 44 and name HA )(resid 60 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 44 and name HA )(resid 60 and name HA ) 3.0 1.2 0.3
!Ser-45
assign (resid 45 and name HN )(resid 45 and name HA ) 4.0 2.2 1.0
assign (resid 45 and name HN )(resid 45 and name HB1 ) 4.0 2.2 1.0
assign (resid 45 and name HN )(resid 45 and name HB2 ) 2.5 0.7 0.2
assign (resid 45 and name HA )(resid 45 and name HB1 ) 3.0 1.2 0.3
assign (resid 45 and name HA )(resid 45 and name HB2 ) 4.0 2.2 1.0
assign (resid 45 and name HN )(resid 44 and name HA ) 2.5 0.7 0.2
assign (resid 45 and name HN )(resid 44 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 45 and name HN )(resid 44 and name HB# ) 3.0 2.2 1.5 !#
assign (resid 45 and name HB1 )(resid 47 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 45 and name HB1 )(resid 47 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 45 and name HN )(resid 59 and name HN ) 3.0 1.2 0.5
assign (resid 45 and name HN )(resid 60 and name HA ) 4.0 2.2 1.0
assign (resid 45 and name HN )(resid 58 and name HB ) 2.5 0.7 0.2
assign (resid 45 and name HN )(resid 58 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 45 and name HN )(resid 58 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 45 and name HN )(resid 58 and name HA ) 4.0 2.2 1.0
assign (resid 45 and name HN )(resid 6 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 45 and name HB1 )(resid 5 and name HA ) 4.0 2.2 1.0
assign (resid 45 and name HB1 )(resid 59 and name HB# ) 4.0 3.7 2.5 !#
assign (resid 45 and name HB1 )(resid 3 and name HG* ) 3.0 3.6 2.7 !#
assign (resid 45 and name HB2 )(resid 59 and name HB# ) 4.0 3.7 2.5 !#
assign (resid 45 and name HB2 )(resid 59 and name HB# ) 4.0 3.7 2.5 !#
!Phe-46
assign (resid 46 and name HN )(resid 46 and name HA ) 4.0 2.2 1.0
assign (resid 46 and name HN )(resid 46 and name HB1 ) 4.0 2.2 1.0
assign (resid 46 and name HN )(resid 46 and name HB2 ) 2.5 0.7 0.2
assign (resid 46 and name HA )(resid 46 and name HB1 ) 3.0 1.2 0.3
assign (resid 46 and name HA )(resid 46 and name HB2 ) 3.0 1.2 0.3
assign (resid 46 and name HN )(resid 46 and name HD2 ) 2.5 0.7 0.2
assign (resid 46 and name HD1 )(resid 46 and name HA ) 3.0 1.2 0.3
assign (resid 46 and name HD1 )(resid 46 and name HB1 ) 3.0 1.2 0.3
assign (resid 46 and name HD2 )(resid 46 and name HB2 ) 3.0 1.2 0.3
assign (resid 46 and name HN )(resid 45 and name HA ) 2.5 0.7 0.2
assign (resid 46 and name HN )(resid 45 and name HB1 ) 3.0 1.2 0.5
assign (resid 46 and name HN )(resid 45 and name HB2 ) 4.0 2.2 1.0
assign (resid 46 and name HN )(resid 47 and name HG* ) 4.0 4.6 3.4 !#
assign (resid 46 and name HD2 )(resid 45 and name HA ) 4.0 2.2 1.0
assign (resid 46 and name HN )(resid 5 and name HA ) 4.0 2.2 1.0
assign (resid 46 and name HN )(resid 3 and name HB ) 4.0 2.2 1.0
assign (resid 46 and name HN )(resid 3 and name HG* ) 4.0 4.6 3.4 !#
assign (resid 46 and name HA )(resid 58 and name HA ) 3.0 1.2 0.3
assign (resid 46 and name HA )(resid 58 and name HG1# ) 3.0 2.7 1.8 !#
assign (resid 46 and name HD1 )(resid 58 and name HG1# ) 3.0 2.7 1.8 !#
assign (resid 46 and name HD2 )(resid 6 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 46 and name HD2 )(resid 6 and name HD* ) 3.0 3.6 2.7 !#
assign (resid 46 and name HD1 )(resid 56 and name HG2# ) 3.0 2.7 1.8 !#
assign (resid 46 and name HD1 )(resid 56 and name HG1# ) 4.0 3.2 2.0 !#
assign (resid 46 and name HD2 )(resid 4 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 46 and name HD2 )(resid 4 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 46 and name HD2 )(resid 4 and name HD# ) 4.0 3.2 2.0 !#
assign (resid 46 and name HE2 )(resid 4 and name HB1 ) 4.0 2.2 1.0
assign (resid 46 and name HE2 )(resid 4 and name HB2 ) 4.0 2.2 1.0
assign (resid 46 and name HE2 )(resid 6 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 46 and name HE2 )(resid 6 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 46 and name HE1 )(resid 56 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 46 and name HE2 )(resid 6 and name HB# ) 3.0 2.2 1.3 !#
assign (resid 46 and name HZ )(resid 6 and name HD* ) 3.0 3.6 2.7 !#
assign (resid 46 and name HZ )(resid 150 and name HE2 ) 4.0 2.2 1.0
assign (resid 46 and name HZ )(resid 148 and name HE# ) 4.0 3.7 2.5 !#
!Val-47
assign (resid 47 and name HN )(resid 47 and name HG1# ) 3.0 2.7 2.0 !#
assign (resid 47 and name HN )(resid 47 and name HG2# ) 2.5 2.2 1.7 !#
assign (resid 47 and name HA )(resid 47 and name HB ) 3.0 1.2 0.3
assign (resid 47 and name HA )(resid 47 and name HG1# ) 2.5 1.8 1.3 !#
assign (resid 47 and name HN )(resid 46 and name HD# ) 4.0 4.2 3.0 !#
assign (resid 47 and name HN )(resid 46 and name HA ) 2.5 0.7 0.2
assign (resid 47 and name HN )(resid 46 and name HB1 ) 4.0 2.2 1.0
assign (resid 47 and name HN )(resid 46 and name HB2 ) 4.0 2.2 1.0
assign (resid 47 and name HN )(resid 48 and name HN ) 4.0 2.2 1.0
assign (resid 47 and name HG1# )(resid 45 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 47 and name HG1# )(resid 45 and name HB2 ) 4.0 3.7 2.5 !
assign (resid 47 and name HN )(resid 59 and name HN ) 4.0 2.2 1.0
assign (resid 47 and name HN )(resid 58 and name HA ) 3.0 1.2 0.5
assign (resid 47 and name HN )(resid 58 and name HB ) 4.0 2.2 1.0
assign (resid 47 and name HN )(resid 58 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 47 and name HA )(resid 93 and name HA ) 3.0 1.2 0.3
assign (resid 47 and name HB )(resid 95 and name HB1 ) 4.0 2.2 1.0
assign (resid 47 and name HB )(resid 95 and name HB2 ) 4.0 2.2 1.0
assign (resid 47 and name HB )(resid 95 and name HG1 ) 4.0 3.2 2.0 !#
assign (resid 47 and name HB )(resid 95 and name HG2 ) 4.0 3.2 2.0 !#
assign (resid 47 and name HB )(resid 100 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 47 and name HG1# )(resid 95 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 47 and name HG1# )(resid 95 and name HG# ) 4.0 4.7 3.5 ! !#
assign (resid 47 and name HG2# )(resid 100 and name HG2# ) 4.0 5.2 4.0 ! !#
assign (resid 47 and name HG2# )(resid 95 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 47 and name HG2# )(resid 95 and name HG# ) 4.0 4.7 3.5 ! !#
assign (resid 47 and name HG2# )(resid 57 and name HB1 ) 3.0 2.7 1.8 !
assign (resid 47 and name HG2# )(resid 57 and name HB2 ) 3.0 2.7 1.8 !
assign (resid 47 and name HG2# )(resid 57 and name HG1 ) 3.0 3.7 2.8 ! !#
assign (resid 47 and name HG2# )(resid 57 and name HG2 ) 3.0 3.7 2.8 ! !#
!Gln-48
assign (resid 48 and name HN )(resid 48 and name HA ) 3.0 1.2 0.5
assign (resid 48 and name HN )(resid 48 and name HB# ) 2.5 1.3 0.8 !#
assign (resid 48 and name HN )(resid 48 and name HG# ) 3.0 2.2 1.5 !#
assign (resid 48 and name HA )(resid 48 and name HG1 ) 3.0 1.8 0.9 !#
assign (resid 48 and name HA )(resid 48 and name HG2 ) 3.0 1.8 0.9 !#
assign (resid 48 and name HA )(resid 48 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 48 and name HN )(resid 49 and name HN ) 4.0 2.2 1.0
assign (resid 48 and name HN )(resid 47 and name HB ) 3.0 1.2 0.5
assign (resid 48 and name HN )(resid 47 and name HG1# ) 3.0 2.7 2.0 !#
assign (resid 48 and name HN )(resid 47 and name HG2# ) 3.0 2.7 2.0 !#
assign (resid 48 and name HN )(resid 93 and name HA ) 4.0 2.2 1.0
assign (resid 48 and name HN )(resid 94 and name HB2 ) 4.0 2.2 1.0
!Gly-49
assign (resid 49 and name HN )(resid 49 and name HA2 ) 3.0 1.2 0.5 !#
assign (resid 49 and name HN )(resid 49 and name HA1 ) 4.0 2.2 1.0 !#
assign (resid 49 and name HN )(resid 50 and name HN ) 4.0 2.2 1.0
assign (resid 49 and name HN )(resid 48 and name HA ) 2.5 0.7 0.2
assign (resid 49 and name HN )(resid 48 and name HB# ) 3.0 2.2 1.5 !#
assign (resid 49 and name HN )(resid 48 and name HG# ) 3.0 2.2 1.5 !#
assign (resid 49 and name HN )(resid 57 and name HG1 ) 4.0 3.2 2.0 !#
assign (resid 49 and name HN )(resid 57 and name HG2 ) 4.0 3.2 2.0 !#
assign (resid 49 and name HA1 )(resid 57 and name HG# ) 4.0 3.2 2.0 ! !#
assign (resid 49 and name HA1 )(resid 57 and name HB2 ) 4.0 2.2 1.0 !
!Glu-50
assign (resid 50 and name HN )(resid 50 and name HA ) 3.0 1.2 0.5
assign (resid 50 and name HN )(resid 50 and name HB1 ) 3.0 1.2 0.5
assign (resid 50 and name HN )(resid 50 and name HB2 ) 2.5 0.7 0.2
assign (resid 50 and name HN )(resid 50 and name HG# ) 3.0 2.2 1.5 !#
assign (resid 50 and name HA )(resid 50 and name HB1 ) 3.0 1.2 0.3
assign (resid 50 and name HA )(resid 50 and name HB2 ) 4.0 2.2 1.0
assign (resid 50 and name HA )(resid 50 and name HG# ) 3.0 1.8 0.9 !#
assign (resid 50 and name HN )(resid 49 and name HA1 ) 2.5 0.7 0.2 !#
assign (resid 50 and name HN )(resid 49 and name HA2 ) 2.5 0.7 0.2 !#
assign (resid 50 and name HN )(resid 57 and name HG# ) 3.0 2.2 1.5 !#
!Glu-51
assign (resid 51 and name HN )(resid 51 and name HA ) 3.0 1.2 0.5
assign (resid 51 and name HN )(resid 51 and name HB# ) 2.5 1.3 0.8 !#
assign (resid 51 and name HN )(resid 51 and name HG1 ) 4.0 3.2 2.0 !#
assign (resid 51 and name HN )(resid 51 and name HG2 ) 4.0 3.2 2.0 !#
assign (resid 51 and name HA )(resid 51 and name HB# ) 3.0 2.2 1.3 !#
assign (resid 51 and name HN )(resid 50 and name HA ) 2.5 0.7 0.2
assign (resid 51 and name HN )(resid 50 and name HB2 ) 4.0 2.2 1.0
assign (resid 51 and name HA )(resid 57 and name HD# ) 3.0 2.2 1.3 !#
!Ser-52
assign (resid 52 and name HN )(resid 52 and name HB1 ) 3.0 1.2 0.5
assign (resid 52 and name HN )(resid 52 and name HB2 ) 3.0 1.2 0.5
assign (resid 52 and name HA )(resid 52 and name HB2 ) 2.5 0.7 0.2
assign (resid 52 and name HA )(resid 52 and name HB1 ) 4.0 2.2 1.0
assign (resid 52 and name HN )(resid 53 and name HN ) 4.0 2.2 1.0
assign (resid 52 and name HN )(resid 55 and name HN ) 4.0 2.2 1.0
assign (resid 52 and name HN )(resid 51 and name HB# ) 3.0 2.2 1.5
assign (resid 52 and name HN )(resid 51 and name HA ) 2.5 0.7 0.2
!Asn-53
assign (resid 53 and name HN )(resid 53 and name HB1 ) 3.0 1.2 0.5
assign (resid 53 and name HN )(resid 53 and name HB2 ) 3.0 1.2 0.5
assign (resid 53 and name HA )(resid 53 and name HB2 ) 4.0 2.2 1.0
assign (resid 53 and name HA )(resid 53 and name HB1 ) 3.0 1.2 0.3
assign (resid 53 and name HN )(resid 55 and name HN ) 4.0 2.2 1.0
assign (resid 53 and name HN )(resid 52 and name HB2 ) 3.0 1.2 0.5
assign (resid 53 and name HN )(resid 52 and name HB1 ) 4.0 2.2 1.0
!Asp-54
assign (resid 54 and name HN )(resid 54 and name HA ) 3.0 1.2 0.5
assign (resid 54 and name HN )(resid 54 and name HB# ) 2.5 1.3 0.8 !#
assign (resid 54 and name HA )(resid 54 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 54 and name HN )(resid 55 and name HN ) 2.5 0.7 0.2
assign (resid 54 and name HN )(resid 52 and name HB2 ) 4.0 2.2 1.0
assign (resid 54 and name HN )(resid 53 and name HB1 ) 3.0 1.2 0.5
assign (resid 54 and name HN )(resid 55 and name HB2 ) 4.0 2.2 1.0
assign (resid 54 and name HN )(resid 55 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 54 and name HA )(resid 104 and name HA ) 4.0 2.2 1.0
assign (resid 54 and name HA )(resid 105 and name HB2 ) 4.0 2.2 1.0
!Lys-55
assign (resid 55 and name HN )(resid 55 and name HB2 ) 2.5 0.7 0.2
assign (resid 55 and name HN )(resid 55 and name HB1 ) 4.0 2.2 1.0
assign (resid 55 and name HN )(resid 55 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 55 and name HA )(resid 55 and name HB2 ) 4.0 2.2 1.0
assign (resid 55 and name HA )(resid 55 and name HB1 ) 3.0 1.2 0.3
assign (resid 55 and name HA )(resid 55 and name HG# ) 4.0 2.8 1.6 !#
assign (resid 55 and name HA )(resid 55 and name HE# ) 4.0 3.2 2.0 !#
assign (resid 55 and name HA )(resid 55 and name HD# ) 4.0 3.2 2.0 !#
assign (resid 55 and name HN )(resid 56 and name HN ) 4.0 2.2 1.0
assign (resid 55 and name HN )(resid 54 and name HA ) 4.0 2.2 1.0
assign (resid 55 and name HN )(resid 52 and name HB1 ) 4.0 2.2 1.0
assign (resid 55 and name HN )(resid 53 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 55 and name HN )(resid 54 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 55 and name HA )(resid 104 and name HA ) 3.0 1.2 0.3
assign (resid 55 and name HA )(resid 102 and name HB1 ) 3.0 1.2 0.3
!Ile-56
assign (resid 56 and name HN )(resid 56 and name HA ) 4.0 2.2 1.0
assign (resid 56 and name HN )(resid 56 and name HB ) 2.5 0.7 0.2
assign (resid 56 and name HN )(resid 56 and name HG1# ) 2.5 1.7 1.2 !#
assign (resid 56 and name HN )(resid 56 and name HG2# ) 3.0 2.7 2.0 !#
assign (resid 56 and name HN )(resid 56 and name HD# ) 4.0 3.7 2.5 !#
assign (resid 56 and name HA )(resid 56 and name HB ) 4.0 2.2 1.0
assign (resid 56 and name HA )(resid 56 and name HG2# ) 3.0 2.3 1.4 !#
assign (resid 56 and name HA )(resid 56 and name HD# ) 3.0 2.7 1.8 !#
assign (resid 56 and name HA )(resid 56 and name HG1# ) 4.0 2.8 1.6 !#
assign (resid 56 and name HG2# )(resid 56 and name HD# ) 3.0 4.2 3.3 ! !#
assign (resid 56 and name HG2# )(resid 56 and name HG11 ) 3.0 3.7 2.8 ! !#
assign (resid 56 and name HG2# )(resid 56 and name HG12 ) 3.0 3.7 2.8 ! !#
assign (resid 56 and name HD# )(resid 56 and name HG11 ) 2.5 3.2 2.7 ! !#
assign (resid 56 and name HD# )(resid 56 and name HG12 ) 2.5 3.2 2.7 ! !#
assign (resid 56 and name HD# )(resid 56 and name HB ) 4.0 3.7 2.5 !
assign (resid 56 and name HN )(resid 55 and name HB2 ) 4.0 2.2 1.0
assign (resid 56 and name HN )(resid 55 and name HA ) 4.0 2.2 1.0
assign (resid 56 and name HN )(resid 57 and name HD# ) 4.0 3.2 2.0 !#
assign (resid 56 and name HA )(resid 57 and name HD# ) 2.5 1.7 1.2 !#
assign (resid 56 and name HG2# )(resid 57 and name HD# ) 3.0 3.7 2.8 ! !#
assign (resid 56 and name HN )(resid 103 and name HN ) 4.0 2.2 1.0
assign (resid 56 and name HN )(resid 102 and name HA ) 4.0 2.2 1.0
assign (resid 56 and name HN )(resid 104 and name HA ) 4.0 2.2 1.0
assign (resid 56 and name HN )(resid 102 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 56 and name HG2# )(resid 46 and name HB2 ) 4.0 3.7 2.5 !
assign (resid 56 and name HG2# )(resid 103 and name HE# ) 4.0 4.7 3.5 ! !#
!Pro-57
assign (resid 57 and name HA )(resid 57 and name HB1 ) 2.5 0.7 0.2
assign (resid 57 and name HA )(resid 57 and name HB2 ) 4.0 2.2 1.0
assign (resid 57 and name HA )(resid 58 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 57 and name HA )(resid 100 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 57 and name HA )(resid 102 and name HA ) 2.5 0.7 0.2
assign (resid 57 and name HA )(resid 100 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 57 and name HA )(resid 47 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 57 and name HD# )(resid 51 and name HG# ) 4.0 4.2 3.0 ! !#
!Val-58
assign (resid 58 and name HN )(resid 58 and name HA ) 4.0 2.2 1.0
assign (resid 58 and name HN )(resid 58 and name HB ) 4.0 2.2 1.0
assign (resid 58 and name HN )(resid 58 and name HG2# ) 2.5 2.2 1.7 !#
assign (resid 58 and name HN )(resid 58 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 58 and name HA )(resid 58 and name HB ) 3.0 1.2 0.3
assign (resid 58 and name HA )(resid 58 and name HG2# ) 4.0 3.3 2.1 !#
assign (resid 58 and name HA )(resid 58 and name HG1# ) 2.5 1.8 1.3 !#
assign (resid 58 and name HN )(resid 57 and name HA ) 2.5 0.7 0.2
assign (resid 58 and name HN )(resid 57 and name HD# ) 4.0 3.2 2.0 !#
assign (resid 58 and name HB )(resid 60 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 58 and name HG2# )(resid 60 and name HD2# ) 3.0 4.2 3.3 ! !#
assign (resid 58 and name HG2# )(resid 60 and name HD1# ) 3.0 4.2 3.3 ! !#
assign (resid 58 and name HG1# )(resid 56 and name HG2# ) 3.0 4.2 3.3 ! !#
assign (resid 58 and name HG1# )(resid 56 and name HB ) 3.0 2.7 1.8 !
assign (resid 58 and name HN )(resid 103 and name HN ) 4.0 2.2 1.0
assign (resid 58 and name HN )(resid 101 and name HN ) 4.0 2.2 1.0
assign (resid 58 and name HN )(resid 102 and name HA ) 4.0 2.2 1.0
assign (resid 58 and name HA )(resid 47 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 58 and name HA )(resid 47 and name HG2# ) 2.5 2.2 1.7 !#
assign (resid 58 and name HG2# )(resid 101 and name HB# ) 3.0 3.7 2.8 ! !#
assign (resid 58 and name HG2# )(resid 44 and name HG# ) 4.0 4.7 3.5 ! !#
assign (resid 58 and name HG1# )(resid 103 and name HE# ) 4.0 4.7 3.5 ! !#
!Ala-59
assign (resid 59 and name HN )(resid 59 and name HA ) 4.0 2.2 1.0
assign (resid 59 and name HN )(resid 59 and name HB# ) 3.0 2.3 1.6 !#
assign (resid 59 and name HN )(resid 60 and name HN ) 4.0 2.2 1.0
assign (resid 59 and name HN )(resid 58 and name HA ) 2.5 0.7 0.2
assign (resid 59 and name HN )(resid 58 and name HB ) 2.5 0.7 0.2
assign (resid 59 and name HN )(resid 58 and name HG2# ) 3.0 2.7 2.0 !#
assign (resid 59 and name HN )(resid 101 and name HN ) 4.0 2.2 1.0
assign (resid 59 and name HN )(resid 46 and name HA ) 4.0 2.2 1.0
assign (resid 59 and name HN )(resid 47 and name HG1# ) 3.0 2.7 2.0 !#
assign (resid 59 and name HN )(resid 47 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 59 and name HA )(resid 100 and name HA ) 4.0 2.2 1.0
assign (resid 59 and name HA )(resid 47 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 59 and name HB# )(resid 45 and name HB1 ) 3.0 2.7 1.8 !
assign (resid 59 and name HB# )(resid 45 and name HB2 ) 4.0 3.7 2.5 !
assign (resid 59 and name HB# )(resid 95 and name HG# ) 4.0 4.7 3.5 ! !#
assign (resid 59 and name HB# )(resid 95 and name HB2 ) 4.0 3.7 2.5 !
assign (resid 59 and name HB# )(resid 47 and name HB ) 4.0 3.7 2.5 !
assign (resid 59 and name HB# )(resid 47 and name HG1# ) 2.5 3.7 3.2 ! !#
assign (resid 59 and name HB# )(resid 47 and name HG2# ) 3.0 4.2 3.3 ! !#
assign (resid 59 and name HB# )(resid 95 and name HE# ) 4.0 5.2 4.0 ! !#
!Leu-60
assign (resid 60 and name HN )(resid 60 and name HG ) 4.0 2.2 1.0
assign (resid 60 and name HN )(resid 60 and name HB2 ) 3.0 1.2 0.5
assign (resid 60 and name HN )(resid 60 and name HB1 ) 4.0 2.2 1.0
assign (resid 60 and name HA )(resid 60 and name HD2# ) 2.5 2.2 1.7 !#
assign (resid 60 and name HA )(resid 60 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 60 and name HA )(resid 60 and name HB2 ) 4.0 2.2 1.0
assign (resid 60 and name HA )(resid 60 and name HB1 ) 3.0 1.2 0.3
assign (resid 60 and name HA )(resid 60 and name HG ) 4.0 2.2 1.0
assign (resid 60 and name HD2# )(resid 60 and name HB2 ) 3.0 2.7 1.8 !
assign (resid 60 and name HD2# )(resid 60 and name HB1 ) 3.0 2.7 1.8 !
assign (resid 60 and name HD1# )(resid 60 and name HB2 ) 4.0 3.7 2.5 !
assign (resid 60 and name HD1# )(resid 60 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 60 and name HN )(resid 59 and name HA ) 3.0 1.2 0.5
assign (resid 60 and name HN )(resid 59 and name HB# ) 3.0 2.7 2.0 !#
assign (resid 60 and name HD2# )(resid 58 and name HG2# ) 3.0 4.2 3.3 ! !#
assign (resid 60 and name HN )(resid 68 and name HD2 ) 4.0 2.2 1.0
assign (resid 60 and name HD2# )(resid 112 and name HB# ) 4.0 4.7 3.5 ! !#
assign (resid 60 and name HD2# )(resid 69 and name HD* ) 4.0 6.1 4.9 ! !#
assign (resid 60 and name HD2# )(resid 42 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 60 and name HD2# )(resid 42 and name HB2 ) 4.0 3.7 2.5 !
assign (resid 60 and name HD2# )(resid 44 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 60 and name HD2# )(resid 44 and name HB2 ) 4.0 3.7 2.5 !
assign (resid 60 and name HD1# )(resid 44 and name HB2 ) 4.0 3.7 2.5 !
assign (resid 60 and name HD1# )(resid 42 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 60 and name HD1# )(resid 69 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 60 and name HD1# )(resid 69 and name HB2 ) 4.0 3.7 2.5 !
assign (resid 60 and name HD1# )(resid 101 and name HB# ) 4.0 4.7 3.5 ! !#
!Gly-61
assign (resid 61 and name HN )(resid 61 and name HA1 ) 2.5 0.7 0.2 !#
assign (resid 61 and name HN )(resid 61 and name HA2 ) 4.0 2.2 1.0 !#
assign (resid 61 and name HN )(resid 60 and name HA ) 2.5 0.7 0.2
assign (resid 61 and name HN )(resid 60 and name HB2 ) 4.0 2.2 1.0
assign (resid 61 and name HN )(resid 60 and name HB1 ) 4.0 2.2 1.0
assign (resid 61 and name HN )(resid 60 and name HG ) 4.0 2.2 1.0
assign (resid 61 and name HN )(resid 68 and name HD2 ) 4.0 2.2 1.0
assign (resid 61 and name HN )(resid 68 and name HE2 ) 4.0 2.2 1.0
assign (resid 61 and name HN )(resid 44 and name HA ) 4.0 2.2 1.0
assign (resid 61 and name HA2 )(resid 68 and name HA ) 3.0 1.2 0.3 !
assign (resid 61 and name HA2 )(resid 69 and name HD* ) 4.0 4.6 3.4 ! !#
assign (resid 61 and name HA2 )(resid 82 and name HD2# ) 4.0 3.7 2.5 ! !#
!Leu-62
assign (resid 62 and name HN )(resid 62 and name HA ) 4.0 2.2 1.0
assign (resid 62 and name HN )(resid 62 and name HD1# ) 3.0 2.7 2.0 !#
assign (resid 62 and name HN )(resid 62 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 62 and name HN )(resid 62 and name HB1 ) 3.0 1.2 0.5
assign (resid 62 and name HN )(resid 62 and name HB2 ) 3.0 1.2 0.5
assign (resid 62 and name HN )(resid 62 and name HG ) 2.5 0.7 0.2
assign (resid 62 and name HA )(resid 62 and name HB1 ) 2.5 0.7 0.2
assign (resid 62 and name HA )(resid 62 and name HB2 ) 3.0 1.2 0.3
assign (resid 62 and name HA )(resid 62 and name HG ) 4.0 2.2 1.0
assign (resid 62 and name HD1# )(resid 62 and name HA ) 4.0 3.7 2.5 !
assign (resid 62 and name HD2# )(resid 62 and name HA ) 2.5 2.2 1.7 !
assign (resid 62 and name HD1# )(resid 62 and name HB1 ) 3.0 2.7 1.8 !
assign (resid 62 and name HD1# )(resid 62 and name HB2 ) 3.0 2.7 1.8 !
assign (resid 62 and name HD2# )(resid 62 and name HB1 ) 3.0 2.7 1.8 !
assign (resid 62 and name HD2# )(resid 62 and name HB2 ) 3.0 2.7 1.8 !
assign (resid 62 and name HN )(resid 67 and name HN ) 4.0 2.2 1.0
assign (resid 62 and name HN )(resid 61 and name HA2 ) 3.0 1.2 0.5 !#
assign (resid 62 and name HN )(resid 61 and name HA1 ) 4.0 2.2 1.0 !#
assign (resid 62 and name HD1# )(resid 67 and name HD1# ) 3.0 4.2 3.3 ! !#
assign (resid 62 and name HD1# )(resid 65 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 62 and name HD1# )(resid 65 and name HB2 ) 3.0 2.7 1.8 !
assign (resid 62 and name HD2# )(resid 65 and name HB2 ) 4.0 3.7 2.5 !
assign (resid 62 and name HN )(resid 68 and name HA ) 4.0 2.2 1.0
!Lys-63
assign (resid 63 and name HN )(resid 63 and name HA ) 3.0 1.2 0.5
assign (resid 63 and name HN )(resid 63 and name HD# ) 4.0 3.2 2.0 !#
assign (resid 63 and name HA )(resid 63 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 63 and name HN )(resid 64 and name HN ) 3.0 1.2 0.5
assign (resid 63 and name HN )(resid 62 and name HA ) 2.5 0.7 0.2
assign (resid 63 and name HN )(resid 62 and name HB2 ) 4.0 2.2 1.0
assign (resid 63 and name HN )(resid 42 and name HA ) 2.5 0.7 0.2
assign (resid 63 and name HN )(resid 41 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 63 and name HN )(resid 40 and name HG1# ) 4.0 3.7 2.5 !#
!Glu-64
assign (resid 64 and name HN )(resid 64 and name HA ) 3.0 1.2 0.5
assign (resid 64 and name HN )(resid 64 and name HB2 ) 2.5 0.7 0.2
assign (resid 64 and name HN )(resid 64 and name HB1 ) 4.0 2.2 1.0
assign (resid 64 and name HA )(resid 64 and name HB2 ) 4.0 2.2 1.0
assign (resid 64 and name HA )(resid 64 and name HB1 ) 2.5 0.7 0.2
assign (resid 64 and name HA )(resid 64 and name HG# ) 3.0 1.8 0.9 !#
assign (resid 64 and name HN )(resid 65 and name HN ) 3.0 1.2 0.5
assign (resid 64 and name HN )(resid 63 and name HA ) 3.0 1.2 0.5
assign (resid 64 and name HN )(resid 63 and name HB1 ) 3.0 1.2 0.5
assign (resid 64 and name HN )(resid 63 and name HB2 ) 3.0 1.2 0.5
!Lys-65
assign (resid 65 and name HN )(resid 65 and name HA ) 4.0 2.2 1.0
assign (resid 65 and name HN )(resid 65 and name HB1 ) 4.0 2.2 1.0
assign (resid 65 and name HN )(resid 65 and name HB2 ) 3.0 1.2 0.5
assign (resid 65 and name HN )(resid 65 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 65 and name HN )(resid 65 and name HD# ) 3.0 2.2 1.5 !#
assign (resid 65 and name HA )(resid 65 and name HG# ) 2.5 1.3 0.8 !#
assign (resid 65 and name HA )(resid 65 and name HB1 ) 2.5 0.7 0.2
assign (resid 65 and name HA )(resid 65 and name HB2 ) 4.0 2.2 1.0
assign (resid 65 and name HA )(resid 65 and name HG1 ) 3.0 1.8 0.9 !#
assign (resid 65 and name HA )(resid 65 and name HG2 ) 3.0 1.8 0.9 !#
assign (resid 65 and name HN )(resid 66 and name HN ) 4.0 2.2 1.0
assign (resid 65 and name HN )(resid 67 and name HN ) 4.0 2.2 1.0
assign (resid 65 and name HN )(resid 64 and name HA ) 3.0 1.2 0.5
assign (resid 65 and name HN )(resid 63 and name HA ) 4.0 2.2 1.0
assign (resid 65 and name HN )(resid 64 and name HB1 ) 4.0 2.2 1.0
assign (resid 65 and name HN )(resid 64 and name HB2 ) 4.0 2.2 1.0
!Asn-66
assign (resid 66 and name HN )(resid 66 and name HB1 ) 4.0 2.2 1.0
assign (resid 66 and name HN )(resid 66 and name HB2 ) 4.0 2.2 1.0
assign (resid 66 and name HA )(resid 66 and name HB2 ) 2.5 0.7 0.2
assign (resid 66 and name HA )(resid 66 and name HB1 ) 3.0 1.2 0.3
assign (resid 66 and name HD21 )(resid 66 and name HB2 ) 3.0 2.2 0.5 !
assign (resid 66 and name HD21 )(resid 66 and name HB1 ) 3.0 2.2 0.5 !
assign (resid 66 and name HD22 )(resid 66 and name HB2 ) 4.0 2.2 1.0 !
assign (resid 66 and name HD22 )(resid 66 and name HB1 ) 4.0 2.2 1.0 !
assign (resid 66 and name HN )(resid 67 and name HN ) 4.0 2.2 1.0
assign (resid 66 and name HN )(resid 65 and name HB1 ) 4.0 2.2 1.0
assign (resid 66 and name HN )(resid 65 and name HB2 ) 4.0 2.2 1.0
assign (resid 66 and name HN )(resid 65 and name HD# ) 4.0 3.2 2.0 !#
assign (resid 66 and name HA )(resid 85 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 66 and name HB1 )(resid 85 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 66 and name HB2 )(resid 85 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 66 and name HD21 )(resid 87 and name HB1 ) 4.0 3.2 1.0 !
assign (resid 66 and name HD21 )(resid 87 and name HB2 ) 4.0 3.2 1.0 !
assign (resid 66 and name HD22 )(resid 87 and name HB1 ) 4.0 3.2 1.0 !
assign (resid 66 and name HD22 )(resid 87 and name HB2 ) 4.0 3.2 1.0 !
assign (resid 66 and name HD22 )(resid 87 and name HD# ) 4.0 4.2 2.0 ! !#
assign (resid 66 and name HD21 )(resid 87 and name HD# ) 3.0 3.2 1.5 ! !#
!Leu-67
assign (resid 67 and name HN )(resid 67 and name HA ) 4.0 2.2 1.0
assign (resid 67 and name HN )(resid 67 and name HB2 ) 2.5 0.7 0.2
assign (resid 67 and name HN )(resid 67 and name HB1 ) 4.0 2.2 1.0
assign (resid 67 and name HN )(resid 67 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 67 and name HN )(resid 67 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 67 and name HN )(resid 67 and name HG ) 4.0 2.2 1.0
assign (resid 67 and name HA )(resid 67 and name HB1 ) 4.0 2.2 1.0
assign (resid 67 and name HA )(resid 67 and name HB2 ) 4.0 2.2 1.0
assign (resid 67 and name HA )(resid 67 and name HD2# ) 2.5 2.2 1.7 !#
assign (resid 67 and name HN )(resid 65 and name HN ) 4.0 2.2 1.0
assign (resid 67 and name HN )(resid 66 and name HA ) 3.0 1.2 0.5
assign (resid 67 and name HN )(resid 65 and name HB1 ) 4.0 2.2 1.0
assign (resid 67 and name HN )(resid 62 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 67 and name HD1# )(resid 65 and name HD# ) 3.0 3.7 2.8 ! !#
assign (resid 67 and name HD1# )(resid 65 and name HB# ) 3.0 3.7 2.8 ! !#
assign (resid 67 and name HA )(resid 84 and name HA ) 3.0 1.2 0.3
assign (resid 67 and name HA )(resid 85 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 67 and name HD1# )(resid 82 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 67 and name HD1# )(resid 82 and name HB2 ) 4.0 3.7 2.5 !
assign (resid 67 and name HD2# )(resid 82 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 67 and name HD2# )(resid 82 and name HB2 ) 4.0 3.7 2.5 !
!Tyr-68
assign (resid 68 and name HN )(resid 68 and name HD1 ) 4.0 2.2 1.0
assign (resid 68 and name HN )(resid 68 and name HA ) 4.0 2.2 1.0
assign (resid 68 and name HN )(resid 68 and name HB1 ) 4.0 2.2 1.0
assign (resid 68 and name HN )(resid 68 and name HB2 ) 3.0 1.2 0.5
assign (resid 68 and name HA )(resid 68 and name HB1 ) 4.0 2.2 1.0
assign (resid 68 and name HA )(resid 68 and name HB2 ) 4.0 2.2 1.0
assign (resid 68 and name HD1 )(resid 68 and name HA ) 4.0 2.2 1.0
assign (resid 68 and name HD2 )(resid 68 and name HA ) 4.0 2.2 1.0
assign (resid 68 and name HD2 )(resid 68 and name HB1 ) 4.0 2.2 1.0
assign (resid 68 and name HD1 )(resid 68 and name HB2 ) 4.0 2.2 1.0
assign (resid 68 and name HN )(resid 67 and name HA ) 2.5 0.7 0.2
assign (resid 68 and name HN )(resid 67 and name HB1 ) 4.0 2.2 1.0
assign (resid 68 and name HN )(resid 67 and name HB2 ) 4.0 2.2 1.0
assign (resid 68 and name HN )(resid 67 and name HG ) 4.0 2.2 1.0
assign (resid 68 and name HN )(resid 67 and name HD2# ) 3.0 2.7 2.0 !#
assign (resid 68 and name HA )(resid 69 and name HD* ) 4.0 4.6 3.4 !#
assign (resid 68 and name HE1 )(resid 66 and name HB2 ) 4.0 2.2 1.0
assign (resid 68 and name HN )(resid 84 and name HA ) 4.0 2.2 1.0
assign (resid 68 and name HN )(resid 85 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 68 and name HN )(resid 83 and name HN ) 4.0 2.2 1.0
assign (resid 68 and name HA )(resid 82 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 68 and name HD2 )(resid 59 and name HB# ) 4.0 3.7 2.5 !#
assign (resid 68 and name HD2 )(resid 95 and name HE# ) 4.0 3.7 2.5 !#
assign (resid 68 and name HD1 )(resid 85 and name HG2# ) 3.0 2.7 1.8 !#
assign (resid 68 and name HD1 )(resid 85 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 68 and name HD1 )(resid 85 and name HB ) 4.0 2.2 1.0
assign (resid 68 and name HD1 )(resid 61 and name HA1 ) 4.0 2.2 1.0 !#
assign (resid 68 and name HD1 )(resid 61 and name HA2 ) 4.0 2.2 1.0 !#
assign (resid 68 and name HD2 )(resid 61 and name HA1 ) 4.0 2.2 1.0 !#
assign (resid 68 and name HD2 )(resid 61 and name HA2 ) 4.0 2.2 1.0 !#
assign (resid 68 and name HD2 )(resid 99 and name HB1 ) 4.0 2.2 1.0
assign (resid 68 and name HE# )(resid 91 and name HA ) 4.0 4.2 3.0 !
assign (resid 68 and name HE2 )(resid 45 and name HB2 ) 4.0 2.2 1.0
assign (resid 68 and name HE2 )(resid 90 and name HB1 ) 4.0 2.2 1.0
assign (resid 68 and name HE2 )(resid 90 and name HB2 ) 4.0 2.2 1.0
assign (resid 68 and name HE1 )(resid 61 and name HA1 ) 4.0 2.2 1.0 !#
assign (resid 68 and name HE1 )(resid 61 and name HA2 ) 4.0 2.2 1.0 !#
assign (resid 68 and name HE2 )(resid 61 and name HA1 ) 4.0 2.2 1.0 !#
assign (resid 68 and name HE2 )(resid 61 and name HA2 ) 4.0 2.2 1.0 !#
assign (resid 68 and name HE# )(resid 91 and name HB1 ) 4.0 4.2 3.0 !
assign (resid 68 and name HE2 )(resid 59 and name HB# ) 2.5 2.2 1.7 !#
assign (resid 68 and name HE2 )(resid 95 and name HE# ) 3.0 2.7 1.8 !#
assign (resid 68 and name HE1 )(resid 85 and name HG2# ) 2.5 2.2 1.7 !#
assign (resid 68 and name HE1 )(resid 85 and name HG1# ) 4.0 3.7 2.5 !#
!Leu-69
assign (resid 69 and name HN )(resid 69 and name HA ) 4.0 2.2 1.0
assign (resid 69 and name HN )(resid 69 and name HB2 ) 2.5 0.7 0.2
assign (resid 69 and name HN )(resid 69 and name HB1 ) 4.0 2.2 1.0
assign (resid 69 and name HN )(resid 69 and name HD* ) 2.5 2.4 1.9 !#
assign (resid 69 and name HA )(resid 69 and name HB2 ) 4.0 2.2 1.0
assign (resid 69 and name HA )(resid 69 and name HB1 ) 3.0 1.2 0.3
assign (resid 69 and name HA )(resid 69 and name HD* ) 4.0 3.9 2.7 !#
assign (resid 69 and name HD* )(resid 69 and name HB2 ) 4.0 3.9 2.7 !
assign (resid 69 and name HD* )(resid 69 and name HB1 ) 3.0 2.9 2.0 !
assign (resid 69 and name HN )(resid 68 and name HD# ) 4.0 4.2 3.0 !#
assign (resid 69 and name HN )(resid 68 and name HA ) 2.5 0.7 0.2
assign (resid 69 and name HN )(resid 68 and name HB1 ) 4.0 2.2 1.0
assign (resid 69 and name HN )(resid 68 and name HB2 ) 4.0 2.2 1.0
assign (resid 69 and name HN )(resid 83 and name HN ) 4.0 2.2 1.0
assign (resid 69 and name HN )(resid 61 and name HA2 ) 3.0 1.2 0.5 !#
assign (resid 69 and name HN )(resid 61 and name HA1 ) 4.0 2.2 1.0 !#
assign (resid 69 and name HN )(resid 101 and name HE1 ) 4.0 2.2 1.0
assign (resid 69 and name HN )(resid 82 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 69 and name HA )(resid 80 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 69 and name HA )(resid 80 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 69 and name HA )(resid 82 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 69 and name HD* )(resid 60 and name HB2 ) 4.0 4.6 3.4 !
assign (resid 69 and name HD* )(resid 60 and name HB1 ) 3.0 3.6 2.7 !
assign (resid 69 and name HD* )(resid 122 and name HG1# ) 4.0 5.6 4.4 ! !#
!Ser-70
assign (resid 70 and name HN )(resid 70 and name HA ) 4.0 2.2 1.0
assign (resid 70 and name HN )(resid 70 and name HB1 ) 4.0 2.2 1.0
assign (resid 70 and name HN )(resid 70 and name HB2 ) 4.0 2.2 1.0
assign (resid 70 and name HA )(resid 70 and name HB1 ) 3.0 1.2 0.3
assign (resid 70 and name HA )(resid 70 and name HB2 ) 3.0 1.2 0.3
assign (resid 70 and name HN )(resid 69 and name HA ) 2.5 0.7 0.2
assign (resid 70 and name HN )(resid 69 and name HB2 ) 4.0 2.2 1.0
assign (resid 70 and name HN )(resid 69 and name HB1 ) 3.0 1.2 0.5
assign (resid 70 and name HN )(resid 69 and name HD* ) 4.0 4.6 3.4 !#
assign (resid 70 and name HN )(resid 81 and name HN ) 2.5 0.7 0.2
assign (resid 70 and name HN )(resid 82 and name HA ) 4.0 2.2 1.0
assign (resid 70 and name HN )(resid 80 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 70 and name HN )(resid 80 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 70 and name HN )(resid 81 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 70 and name HA )(resid 99 and name HA ) 3.0 1.2 0.3
assign (resid 70 and name HA )(resid 80 and name HD* ) 4.0 4.6 3.4 !#
assign (resid 70 and name HB1 )(resid 99 and name HA ) 4.0 2.2 1.0
assign (resid 70 and name HB1 )(resid 83 and name HB1 ) 4.0 2.2 1.0
assign (resid 70 and name HB1 )(resid 83 and name HB2 ) 4.0 2.2 1.0
assign (resid 70 and name HB1 )(resid 83 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 70 and name HB2 )(resid 99 and name HA ) 4.0 2.2 1.0
assign (resid 70 and name HB2 )(resid 83 and name HB1 ) 4.0 2.2 1.0
assign (resid 70 and name HB2 )(resid 83 and name HB2 ) 4.0 2.2 1.0
!Cys-71
assign (resid 71 and name HN )(resid 71 and name HA ) 4.0 2.2 1.0
assign (resid 71 and name HN )(resid 71 and name HB2 ) 3.0 1.2 0.5
assign (resid 71 and name HN )(resid 71 and name HB1 ) 4.0 2.2 1.0
assign (resid 71 and name HA )(resid 71 and name HB2 ) 4.0 2.2 1.0
assign (resid 71 and name HA )(resid 71 and name HB1 ) 3.0 1.2 0.3
assign (resid 71 and name HN )(resid 72 and name HN ) 4.0 2.2 1.0
assign (resid 71 and name HN )(resid 70 and name HA ) 2.5 0.7 0.2
assign (resid 71 and name HN )(resid 70 and name HB1 ) 4.0 2.2 1.0
assign (resid 71 and name HN )(resid 70 and name HB2 ) 3.0 1.2 0.5
assign (resid 71 and name HA )(resid 72 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 71 and name HN )(resid 117 and name HE# ) 4.0 4.2 3.0 !#
assign (resid 71 and name HN )(resid 98 and name HA ) 4.0 2.2 1.0
assign (resid 71 and name HA )(resid 80 and name HA ) 4.0 2.2 1.0
assign (resid 71 and name HA )(resid 80 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 71 and name HA )(resid 134 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 71 and name HB1 )(resid 134 and name HD1# ) 4.0 3.7 2.5 !#
!Val-72
assign (resid 72 and name HN )(resid 72 and name HA ) 4.0 2.2 1.0
assign (resid 72 and name HN )(resid 72 and name HB ) 4.0 2.2 1.0
assign (resid 72 and name HN )(resid 72 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 72 and name HN )(resid 72 and name HG2# ) 2.5 2.2 1.7 !#
assign (resid 72 and name HA )(resid 72 and name HN ) 2.5 0.7 0.2
assign (resid 72 and name HA )(resid 72 and name HG1# ) 2.5 1.8 1.3 !#
assign (resid 72 and name HA )(resid 72 and name HG2# ) 3.0 2.3 1.4 !#
assign (resid 72 and name HN )(resid 73 and name HN ) 4.0 2.2 1.0
assign (resid 72 and name HN )(resid 71 and name HA ) 2.5 0.7 0.2
assign (resid 72 and name HN )(resid 71 and name HB1 ) 4.0 2.2 1.0
assign (resid 72 and name HN )(resid 71 and name HB2 ) 4.0 2.2 1.0
assign (resid 72 and name HG2# )(resid 74 and name HB2 ) 4.0 3.7 2.5 !
assign (resid 72 and name HG2# )(resid 74 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 72 and name HG2# )(resid 74 and name HG# ) 3.0 3.7 2.8 ! !#
assign (resid 72 and name HG2# )(resid 74 and name HD# ) 4.0 4.7 3.5 ! !#
assign (resid 72 and name HG2# )(resid 74 and name HE# ) 4.0 4.7 3.5 ! !#
assign (resid 72 and name HG1# )(resid 74 and name HG# ) 4.0 4.7 3.5 ! !#
assign (resid 72 and name HG1# )(resid 74 and name HD# ) 4.0 4.7 3.5 ! !#
assign (resid 72 and name HN )(resid 117 and name HE# ) 4.0 4.2 3.0 !#
assign (resid 72 and name HN )(resid 117 and name HZ ) 4.0 2.2 1.0
assign (resid 72 and name HN )(resid 81 and name HN ) 4.0 2.2 1.0
assign (resid 72 and name HN )(resid 80 and name HA ) 4.0 2.2 1.0
assign (resid 72 and name HN )(resid 78 and name HA ) 4.0 2.2 1.0
assign (resid 72 and name HA )(resid 98 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 72 and name HG2# )(resid 79 and name HB ) 3.0 2.7 1.8 !
assign (resid 72 and name HG2# )(resid 79 and name HG2# ) 4.0 5.2 4.0 ! !#
!Leu-73
assign (resid 73 and name HN )(resid 73 and name HA ) 3.0 1.2 0.5
assign (resid 73 and name HN )(resid 73 and name HB# ) 2.5 1.3 0.8 !#
assign (resid 73 and name HN )(resid 73 and name HG ) 2.5 0.7 0.2
assign (resid 73 and name HN )(resid 73 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 73 and name HN )(resid 73 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 73 and name HA )(resid 73 and name HD2# ) 2.5 2.2 1.7 !#
assign (resid 73 and name HA )(resid 73 and name HD1# ) 4.0 3.7 2.0 !#
assign (resid 73 and name HA )(resid 73 and name HB# ) 3.0 2.2 1.3 !#
assign (resid 73 and name HA )(resid 73 and name HG ) 4.0 2.2 1.0
assign (resid 73 and name HN )(resid 74 and name HN ) 4.0 2.2 1.0
assign (resid 73 and name HN )(resid 72 and name HA ) 2.5 0.7 0.2
assign (resid 73 and name HN )(resid 78 and name HA ) 4.0 2.2 1.0
assign (resid 73 and name HN )(resid 72 and name HB ) 2.5 0.7 0.2
assign (resid 73 and name HN )(resid 72 and name HG1# ) 3.0 2.7 2.0 !#
assign (resid 73 and name HN )(resid 72 and name HG2# ) 3.0 2.7 2.0 !#
assign (resid 73 and name HA )(resid 78 and name HA ) 3.0 1.2 0.3
assign (resid 73 and name HA )(resid 72 and name HG* ) 4.0 4.6 3.4 !#
assign (resid 73 and name HN )(resid 117 and name HE# ) 4.0 4.2 3.0 !#
assign (resid 73 and name HN )(resid 117 and name HZ ) 3.0 1.2 0.5
!Lys-74
assign (resid 74 and name HN )(resid 74 and name HA ) 4.0 2.2 1.0
assign (resid 74 and name HN )(resid 74 and name HB2 ) 2.5 0.7 0.2
assign (resid 74 and name HN )(resid 74 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 74 and name HN )(resid 74 and name HD# ) 4.0 3.2 2.0 !#
assign (resid 74 and name HA )(resid 74 and name HB2 ) 3.0 1.2 0.3
assign (resid 74 and name HA )(resid 74 and name HB1 ) 2.5 0.7 0.2
assign (resid 74 and name HA )(resid 74 and name HG# ) 3.0 1.8 0.9 !#
assign (resid 74 and name HA )(resid 74 and name HD# ) 4.0 3.2 2.0 !#
assign (resid 74 and name HN )(resid 79 and name HN ) 4.0 2.2 1.0
assign (resid 74 and name HN )(resid 77 and name HN ) 2.5 0.7 0.2
assign (resid 74 and name HN )(resid 73 and name HA ) 2.5 0.7 0.2
assign (resid 74 and name HN )(resid 79 and name HB ) 4.0 2.2 1.0
assign (resid 74 and name HN )(resid 78 and name HA ) 4.0 2.2 1.0
assign (resid 74 and name HN )(resid 73 and name HD2# ) 3.0 2.7 2.0 !#
assign (resid 74 and name HN )(resid 73 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 74 and name HN )(resid 75 and name HN ) 4.0 2.2 1.0
!Asp-75
assign (resid 75 and name HN )(resid 75 and name HA ) 2.5 0.7 0.2
assign (resid 75 and name HN )(resid 75 and name HB1 ) 4.0 2.2 1.0
assign (resid 75 and name HN )(resid 75 and name HB2 ) 4.0 2.2 1.0
assign (resid 75 and name HA )(resid 75 and name HB1 ) 2.5 0.7 0.2
assign (resid 75 and name HA )(resid 75 and name HB2 ) 4.0 2.2 1.0
assign (resid 75 and name HN )(resid 76 and name HN ) 2.5 0.7 0.2
assign (resid 75 and name HN )(resid 74 and name HA ) 2.5 0.7 0.2
assign (resid 75 and name HN )(resid 74 and name HB1 ) 4.0 2.2 1.0
assign (resid 75 and name HN )(resid 74 and name HB2 ) 4.0 2.2 1.0
assign (resid 75 and name HN )(resid 74 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 75 and name HN )(resid 73 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 75 and name HN )(resid 73 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 75 and name HN )(resid 73 and name HB1 ) 4.0 2.2 1.0
!Asp-76
assign (resid 76 and name HN )(resid 76 and name HA ) 2.5 0.7 0.2
assign (resid 76 and name HN )(resid 76 and name HB1 ) 4.0 2.2 1.0
assign (resid 76 and name HN )(resid 76 and name HB2 ) 4.0 2.2 1.0
assign (resid 76 and name HA )(resid 76 and name HB1 ) 2.5 0.7 0.2
assign (resid 76 and name HA )(resid 76 and name HB2 ) 3.0 1.2 0.3
assign (resid 76 and name HN )(resid 77 and name HN ) 2.5 0.7 0.2
assign (resid 76 and name HN )(resid 74 and name HN ) 4.0 2.2 1.0
assign (resid 76 and name HN )(resid 75 and name HA ) 2.5 0.7 0.2
assign (resid 76 and name HN )(resid 74 and name HA ) 4.0 2.2 1.0
assign (resid 76 and name HN )(resid 75 and name HB1 ) 4.0 2.2 1.0
assign (resid 76 and name HN )(resid 75 and name HB2 ) 4.0 2.2 1.0
assign (resid 76 and name HN )(resid 73 and name HD1# ) 3.0 2.7 2.0 !#
assign (resid 76 and name HN )(resid 73 and name HD2# ) 3.0 2.7 2.0 !#
assign (resid 76 and name HN )(resid 73 and name HB1 ) 2.5 0.7 0.2
!Lys-77
assign (resid 77 and name HN )(resid 77 and name HD# ) 4.0 3.2 2.0 !#
assign (resid 77 and name HN )(resid 77 and name HB1 ) 3.0 1.2 0.5
assign (resid 77 and name HN )(resid 77 and name HB2 ) 3.0 1.2 0.5
assign (resid 77 and name HN )(resid 77 and name HG# ) 3.0 2.2 1.5 !#
assign (resid 77 and name HA )(resid 77 and name HG# ) 4.0 2.8 1.6 !#
assign (resid 77 and name HG# )(resid 77 and name HE# ) 4.0 4.2 3.0 ! !#
assign (resid 77 and name HN )(resid 74 and name HN ) 2.5 0.7 0.2
assign (resid 77 and name HN )(resid 74 and name HA ) 4.0 2.2 1.0
assign (resid 77 and name HN )(resid 75 and name HA ) 4.0 2.2 1.0
assign (resid 77 and name HN )(resid 76 and name HA ) 3.0 1.2 0.5
assign (resid 77 and name HN )(resid 75 and name HB1 ) 4.0 2.2 1.0
assign (resid 77 and name HN )(resid 75 and name HB2 ) 3.0 1.2 0.5
assign (resid 77 and name HN )(resid 73 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 77 and name HN )(resid 73 and name HD2# ) 3.0 2.7 2.0 !#
assign (resid 77 and name HA )(resid 78 and name HD1 ) 3.0 2.2 1.3 !#
assign (resid 77 and name HA )(resid 78 and name HD2 ) 3.0 2.2 1.3 !#
assign (resid 77 and name HA )(resid 73 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 77 and name HA )(resid 73 and name HD2# ) 3.0 2.7 1.8 !#
!Pro-78
assign (resid 78 and name HA )(resid 78 and name HB2 ) 4.0 2.2 1.0
assign (resid 78 and name HA )(resid 78 and name HB1 ) 3.0 1.2 0.3
assign (resid 78 and name HA )(resid 73 and name HD2# ) 3.0 2.7 1.8 !#
assign (resid 78 and name HA )(resid 73 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 78 and name HD1 )(resid 77 and name HE# ) 4.0 4.2 3.0 ! !#
assign (resid 78 and name HD1 )(resid 77 and name HG# ) 3.0 3.2 2.3 ! !#
assign (resid 78 and name HD1 )(resid 77 and name HB1 ) 4.0 3.2 2.0 !
assign (resid 78 and name HD1 )(resid 77 and name HB2 ) 4.0 3.2 2.0 !
assign (resid 78 and name HD2 )(resid 77 and name HE# ) 4.0 4.2 3.0 ! !#
assign (resid 78 and name HD2 )(resid 77 and name HG# ) 3.0 3.2 2.3 ! !#
assign (resid 78 and name HD2 )(resid 77 and name HB1 ) 4.0 3.2 2.0 !
assign (resid 78 and name HD2 )(resid 77 and name HB2 ) 4.0 3.2 2.0 !
assign (resid 78 and name HD2 )(resid 73 and name HD1# ) 4.0 4.7 3.5 ! !#
assign (resid 78 and name HD2 )(resid 73 and name HD2# ) 4.0 4.7 3.5 ! !#
assign (resid 78 and name HB1 )(resid 134 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 78 and name HB1 )(resid 134 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 78 and name HB2 )(resid 134 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 78 and name HB2 )(resid 134 and name HD2# ) 4.0 3.7 2.5 !#
!Thr-79
assign (resid 79 and name HN )(resid 79 and name HA ) 4.0 2.2 1.0
assign (resid 79 and name HN )(resid 79 and name HB ) 3.0 1.2 0.5
assign (resid 79 and name HN )(resid 79 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 79 and name HA )(resid 79 and name HB ) 4.0 2.2 1.0
assign (resid 79 and name HA )(resid 79 and name HG2# ) 3.0 2.3 1.4 !#
assign (resid 79 and name HN )(resid 78 and name HA ) 2.5 0.7 0.2
assign (resid 79 and name HN )(resid 78 and name HB1 ) 4.0 2.2 1.0
assign (resid 79 and name HG2# )(resid 74 and name HD# ) 3.0 3.7 2.8 ! !#
assign (resid 79 and name HG2# )(resid 74 and name HB# ) 3.0 3.7 2.8 ! !#
assign (resid 79 and name HG2# )(resid 80 and name HB2 ) 4.0 3.7 2.5 !
assign (resid 79 and name HB )(resid 74 and name HB1 ) 4.0 2.2 1.0
assign (resid 79 and name HB )(resid 74 and name HB2 ) 4.0 2.2 1.0
assign (resid 79 and name HN )(resid 73 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 79 and name HN )(resid 73 and name HA ) 3.0 1.2 0.5
assign (resid 79 and name HN )(resid 117 and name HE2 ) 4.0 2.2 1.0
assign (resid 79 and name HN )(resid 134 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 79 and name HA )(resid 134 and name HB1 ) 4.0 2.2 1.0
assign (resid 79 and name HA )(resid 134 and name HB2 ) 4.0 2.2 1.0
assign (resid 79 and name HA )(resid 134 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 79 and name HG2# )(resid 72 and name HG2# ) 2.5 3.7 3.2 ! !#
assign (resid 79 and name HB )(resid 134 and name HB1 ) 4.0 2.2 1.0
assign (resid 79 and name HB )(resid 134 and name HB2 ) 4.0 2.2 1.0
assign (resid 79 and name HB )(resid 72 and name HG2# ) 2.5 2.2 1.7 !#
!Leu-80
assign (resid 80 and name HN )(resid 80 and name HB1 ) 2.5 0.7 0.2
assign (resid 80 and name HN )(resid 80 and name HB2 ) 2.5 0.7 0.2
assign (resid 80 and name HN )(resid 80 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 80 and name HN )(resid 80 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 80 and name HN )(resid 80 and name HA ) 4.0 2.2 1.0
assign (resid 80 and name HN )(resid 80 and name HG ) 4.0 2.2 1.0
assign (resid 80 and name HA )(resid 80 and name HB1 ) 3.0 1.2 0.3
assign (resid 80 and name HA )(resid 80 and name HB2 ) 4.0 2.2 1.0
assign (resid 80 and name HA )(resid 80 and name HG ) 4.0 2.2 1.0
assign (resid 80 and name HA )(resid 80 and name HD1# ) 2.5 2.2 1.7 !#
assign (resid 80 and name HD1# )(resid 80 and name HB1 ) 2.5 2.2 1.7 !
assign (resid 80 and name HD1# )(resid 80 and name HB2 ) 4.0 3.7 2.5 !
assign (resid 80 and name HD2# )(resid 80 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 80 and name HD2# )(resid 80 and name HB2 ) 4.0 3.7 2.5 !
assign (resid 80 and name HN )(resid 81 and name HN ) 4.0 2.2 1.0
assign (resid 80 and name HN )(resid 79 and name HA ) 2.5 0.7 0.2
assign (resid 80 and name HN )(resid 79 and name HB ) 4.0 2.2 1.0
assign (resid 80 and name HN )(resid 134 and name HN ) 3.0 1.2 0.5
assign (resid 80 and name HN )(resid 133 and name HA ) 4.0 2.2 1.0
assign (resid 80 and name HN )(resid 134 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 80 and name HN )(resid 134 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 80 and name HA )(resid 134 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 80 and name HA )(resid 134 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 80 and name HD1# )(resid 134 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 80 and name HD1# )(resid 134 and name HB2 ) 4.0 3.7 2.5 !
assign (resid 80 and name HD1# )(resid 134 and name HD2# ) 3.0 4.2 3.3 ! !#
assign (resid 80 and name HD2# )(resid 69 and name HG ) 4.0 3.7 2.5 !
assign (resid 80 and name HD2# )(resid 122 and name HG1# ) 4.0 4.7 3.5 ! !#
!Gln-81
assign (resid 81 and name HN )(resid 81 and name HA ) 3.0 1.2 0.5
assign (resid 81 and name HA )(resid 81 and name HB# ) 3.0 2.2 1.3 !#
assign (resid 81 and name HN )(resid 80 and name HA ) 2.5 0.7 0.2
assign (resid 81 and name HN )(resid 80 and name HG ) 2.5 0.7 0.2
assign (resid 81 and name HN )(resid 80 and name HB2 ) 4.0 2.2 1.0
assign (resid 81 and name HN )(resid 80 and name HD1# ) 3.0 2.7 2.0 !#
assign (resid 81 and name HN )(resid 80 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 81 and name HN )(resid 71 and name HA ) 4.0 2.2 1.0
!Leu-82
assign (resid 82 and name HN )(resid 82 and name HA ) 3.0 1.2 0.5
assign (resid 82 and name HN )(resid 82 and name HB2 ) 3.0 1.2 0.5
assign (resid 82 and name HN )(resid 82 and name HB1 ) 4.0 2.2 1.0
assign (resid 82 and name HN )(resid 82 and name HG ) 2.5 0.7 0.2
assign (resid 82 and name HN )(resid 82 and name HD1# ) 3.0 2.7 2.0 !#
assign (resid 82 and name HA )(resid 82 and name HB2 ) 4.0 2.2 1.0
assign (resid 82 and name HA )(resid 82 and name HB1 ) 2.5 0.7 0.2
assign (resid 82 and name HA )(resid 82 and name HG ) 4.0 2.2 1.0
assign (resid 82 and name HA )(resid 82 and name HD2# ) 2.5 2.2 1.7 !#
assign (resid 82 and name HN )(resid 81 and name HA ) 2.5 0.7 0.2
assign (resid 82 and name HN )(resid 83 and name HN ) 4.0 2.2 1.0
assign (resid 82 and name HN )(resid 81 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 82 and name HA )(resid 69 and name HD* ) 4.0 4.6 3.4 !#
assign (resid 82 and name HD2# )(resid 69 and name HG ) 3.0 2.7 1.8 !
!Glu-83
assign (resid 83 and name HN )(resid 83 and name HG# ) 3.0 2.2 1.5 !#
assign (resid 83 and name HN )(resid 83 and name HB# ) 4.0 2.8 1.6 !#
assign (resid 83 and name HA )(resid 83 and name HB# ) 3.0 2.2 1.3 !#
assign (resid 83 and name HA )(resid 83 and name HG# ) 3.0 1.8 0.9 !#
assign (resid 83 and name HN )(resid 84 and name HN ) 4.0 2.2 1.0
assign (resid 83 and name HN )(resid 82 and name HA ) 2.5 0.7 0.2
assign (resid 83 and name HN )(resid 82 and name HB2 ) 4.0 2.2 1.0
assign (resid 83 and name HN )(resid 82 and name HB1 ) 3.0 1.2 0.5
assign (resid 83 and name HN )(resid 82 and name HG ) 4.0 2.2 1.0
assign (resid 83 and name HN )(resid 82 and name HD* ) 3.0 3.6 2.9 !#
assign (resid 83 and name HN )(resid 67 and name HD2# ) 4.0 3.7 2.5 !#
!Ser-84
assign (resid 84 and name HN )(resid 84 and name HA ) 4.0 2.2 1.0
assign (resid 84 and name HN )(resid 84 and name HB# ) 2.5 1.3 0.8 !#
assign (resid 84 and name HA )(resid 84 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 84 and name HN )(resid 83 and name HB# ) 3.0 2.2 1.5 !#
assign (resid 84 and name HN )(resid 83 and name HG# ) 2.5 1.7 1.2 !#
assign (resid 84 and name HN )(resid 24 and name HD2# ) 4.0 2.2 1.0
assign (resid 84 and name HN )(resid 67 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 84 and name HA )(resid 67 and name HD2# ) 2.5 2.2 1.7 !#
assign (resid 84 and name HB# )(resid 67 and name HD2# ) 2.5 3.2 2.7 ! !#
!Val-85
assign (resid 85 and name HN )(resid 85 and name HA ) 4.0 2.2 1.0
assign (resid 85 and name HN )(resid 85 and name HB ) 4.0 2.2 1.0
assign (resid 85 and name HN )(resid 85 and name HG2# ) 2.5 2.2 1.7 !#
assign (resid 85 and name HN )(resid 85 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 85 and name HA )(resid 85 and name HB ) 2.5 0.7 0.2
assign (resid 85 and name HA )(resid 85 and name HG2# ) 4.0 3.3 2.1 !#
assign (resid 85 and name HA )(resid 85 and name HG1# ) 2.5 1.8 1.3 !#
assign (resid 85 and name HN )(resid 86 and name HN ) 4.0 2.2 1.0
assign (resid 85 and name HN )(resid 84 and name HA ) 2.5 0.7 0.2
assign (resid 85 and name HN )(resid 84 and name HB# ) 3.0 2.2 1.5 !#
assign (resid 85 and name HB )(resid 90 and name HB1 ) 4.0 2.2 1.0
assign (resid 85 and name HG2# )(resid 90 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 85 and name HG1# )(resid 90 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 85 and name HN )(resid 68 and name HN ) 4.0 2.2 1.0
assign (resid 85 and name HN )(resid 67 and name HA ) 4.0 2.2 1.0
assign (resid 85 and name HN )(resid 66 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 85 and name HG2# )(resid 68 and name HB2 ) 4.0 3.7 2.5 !
assign (resid 85 and name HG1# )(resid 68 and name HB2 ) 4.0 3.7 2.5 !
!Asp-86
assign (resid 86 and name HN )(resid 86 and name HB1 ) 2.5 0.7 0.2
assign (resid 86 and name HN )(resid 86 and name HB2 ) 2.5 0.7 0.2
assign (resid 86 and name HN )(resid 86 and name HA ) 4.0 2.2 1.0
assign (resid 86 and name HA )(resid 86 and name HB1 ) 4.0 2.2 1.0
assign (resid 86 and name HA )(resid 86 and name HB2 ) 2.5 0.7 0.2
assign (resid 86 and name HN )(resid 90 and name HD2 ) 4.0 2.2 1.0
assign (resid 86 and name HN )(resid 90 and name HE2 ) 4.0 2.2 1.0
assign (resid 86 and name HN )(resid 88 and name HN ) 4.0 2.2 1.0
assign (resid 86 and name HN )(resid 85 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 86 and name HN )(resid 85 and name HG1# ) 3.0 2.7 2.0 !#
assign (resid 86 and name HN )(resid 85 and name HB ) 2.5 0.7 0.2
assign (resid 86 and name HN )(resid 85 and name HA ) 2.5 0.7 0.2
assign (resid 86 and name HA )(resid 87 and name HD1 ) 2.5 1.7 1.2 !#
assign (resid 86 and name HA )(resid 87 and name HD2 ) 2.5 1.7 1.2 !#
assign (resid 86 and name HA )(resid 87 and name HG# ) 4.0 3.2 2.0 !#
!Pro-87
assign (resid 87 and name HA )(resid 87 and name HB1 ) 2.5 0.7 0.2
assign (resid 87 and name HA )(resid 87 and name HB2 ) 3.0 1.2 0.3
assign (resid 87 and name HA )(resid 87 and name HG# ) 4.0 2.8 1.6 !#
assign (resid 87 and name HD# )(resid 87 and name HG# ) 2.5 2.7 2.2 ! !#
assign (resid 87 and name HA )(resid 85 and name HG2# ) 4.0 3.7 2.5 !#
!Lys-88
assign (resid 88 and name HN )(resid 88 and name HB2 ) 2.5 0.7 0.2
assign (resid 88 and name HN )(resid 88 and name HB1 ) 4.0 2.2 1.0
assign (resid 88 and name HN )(resid 88 and name HG# ) 2.5 1.7 1.2 !#
assign (resid 88 and name HN )(resid 88 and name HD# ) 4.0 3.2 2.0 !#
assign (resid 88 and name HA )(resid 88 and name HB2 ) 4.0 2.2 1.0
assign (resid 88 and name HA )(resid 88 and name HB1 ) 2.5 0.7 0.2
assign (resid 88 and name HA )(resid 88 and name HG# ) 3.0 1.8 0.9 !#
assign (resid 88 and name HN )(resid 89 and name HN ) 2.5 0.7 0.2
assign (resid 88 and name HN )(resid 90 and name HN ) 4.0 2.2 1.0
assign (resid 88 and name HN )(resid 86 and name HA ) 4.0 2.2 1.0
assign (resid 88 and name HN )(resid 87 and name HA ) 3.0 1.2 0.5
assign (resid 88 and name HN )(resid 87 and name HD1 ) 4.0 3.2 2.0 !#
assign (resid 88 and name HN )(resid 87 and name HD2 ) 4.0 3.2 2.0 !#
assign (resid 88 and name HN )(resid 87 and name HB1 ) 4.0 2.2 1.0
assign (resid 88 and name HN )(resid 87 and name HB2 ) 3.0 1.2 0.5
assign (resid 88 and name HA )(resid 87 and name HB2 ) 4.0 2.2 1.0
!Asn-89
assign (resid 89 and name HN )(resid 89 and name HA ) 4.0 2.2 1.0
assign (resid 89 and name HN )(resid 89 and name HB1 ) 4.0 2.2 1.0
assign (resid 89 and name HN )(resid 89 and name HB2 ) 3.0 1.2 0.5
assign (resid 89 and name HA )(resid 89 and name HB1 ) 2.5 0.7 0.2
assign (resid 89 and name HA )(resid 89 and name HB2 ) 4.0 2.2 1.0
assign (resid 89 and name HN )(resid 90 and name HN ) 2.5 0.7 0.2
assign (resid 89 and name HN )(resid 90 and name HD2 ) 4.0 2.2 1.0
assign (resid 89 and name HN )(resid 87 and name HA ) 4.0 2.2 1.0
assign (resid 89 and name HN )(resid 88 and name HA ) 3.0 1.2 0.5
assign (resid 89 and name HN )(resid 88 and name HB1 ) 3.0 1.2 0.5
assign (resid 89 and name HN )(resid 88 and name HB2 ) 3.0 1.2 0.5
assign (resid 89 and name HN )(resid 88 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 89 and name HN )(resid 86 and name HB1 ) 4.0 2.2 1.0
assign (resid 89 and name HB1 )(resid 86 and name HB1 ) 4.0 2.2 1.0
assign (resid 89 and name HB1 )(resid 92 and name HE# ) 3.0 2.2 1.3 !#
assign (resid 89 and name HB2 )(resid 86 and name HB2 ) 3.0 1.2 0.3
assign (resid 89 and name HB2 )(resid 92 and name HE# ) 3.0 2.2 1.3 !#
!Tyr-90
assign (resid 90 and name HN )(resid 90 and name HD2 ) 3.0 1.2 0.5
assign (resid 90 and name HN )(resid 90 and name HB2 ) 2.5 0.7 0.2
assign (resid 90 and name HN )(resid 90 and name HB1 ) 4.0 2.2 1.0
assign (resid 90 and name HA )(resid 90 and name HB2 ) 2.5 0.7 0.2
assign (resid 90 and name HA )(resid 90 and name HB1 ) 4.0 2.2 1.0
assign (resid 90 and name HD1 )(resid 90 and name HA ) 3.0 1.2 0.3
assign (resid 90 and name HD2 )(resid 90 and name HB2 ) 3.0 1.2 0.3
assign (resid 90 and name HD1 )(resid 90 and name HB1 ) 4.0 2.2 1.0
assign (resid 90 and name HN )(resid 87 and name HA ) 4.0 2.2 1.0
assign (resid 90 and name HN )(resid 89 and name HA ) 4.0 2.2 1.0
assign (resid 90 and name HN )(resid 89 and name HB1 ) 4.0 2.2 1.0
assign (resid 90 and name HB2 )(resid 85 and name HG2# ) 3.0 2.7 1.8 !#
assign (resid 90 and name HB1 )(resid 85 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 90 and name HA )(resid 91 and name HA ) 2.5 0.7 0.2
assign (resid 90 and name HD1 )(resid 92 and name HE# ) 4.0 3.2 2.0 !#
assign (resid 90 and name HD1 )(resid 95 and name HE# ) 3.0 2.7 1.8 !#
assign (resid 90 and name HD2 )(resid 85 and name HB ) 3.0 1.2 0.3
assign (resid 90 and name HD2 )(resid 85 and name HG2# ) 3.0 2.7 1.8 !#
assign (resid 90 and name HD2 )(resid 85 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 90 and name HD1 )(resid 91 and name HA ) 3.0 1.2 0.3
assign (resid 90 and name HD2 )(resid 86 and name HB1 ) 3.0 1.2 0.3
assign (resid 90 and name HD2 )(resid 86 and name HB2 ) 4.0 2.2 1.0
assign (resid 90 and name HE2 )(resid 85 and name HB ) 3.0 1.2 0.3
assign (resid 90 and name HE2 )(resid 85 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 90 and name HE2 )(resid 85 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 90 and name HE2 )(resid 86 and name HB2 ) 3.0 1.2 0.3
assign (resid 90 and name HE2 )(resid 89 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 90 and name HE1 )(resid 92 and name HE# ) 4.0 3.2 2.0 !#
assign (resid 90 and name HE1 )(resid 92 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 90 and name HE1 )(resid 95 and name HE# ) 2.5 2.2 1.7 !#
assign (resid 90 and name HE1 )(resid 95 and name HA ) 3.0 1.2 0.3
assign (resid 90 and name HE1 )(resid 95 and name HG# ) 3.0 2.2 1.3 !#
assign (resid 90 and name HE2 )(resid 85 and name HA ) 4.0 2.2 1.0
!Pro-91
assign (resid 91 and name HA )(resid 91 and name HB1 ) 3.0 1.2 0.3
assign (resid 91 and name HA )(resid 91 and name HB2 ) 4.0 2.2 1.0
assign (resid 91 and name HA )(resid 90 and name HB2 ) 4.0 2.2 1.0
assign (resid 91 and name HA )(resid 90 and name HB1 ) 3.0 1.2 0.3
assign (resid 91 and name HB1 )(resid 3 and name HG* ) 4.0 4.6 3.4 !#
assign (resid 91 and name HB2 )(resid 3 and name HG* ) 4.0 4.6 3.4 !#
assign (resid 91 and name HG# )(resid 3 and name HG* ) 4.0 5.6 4.4 ! !#
!Lys-92
assign (resid 92 and name HN )(resid 92 and name HA ) 4.0 2.2 1.0
assign (resid 92 and name HA )(resid 92 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 92 and name HN )(resid 90 and name HD1 ) 4.0 2.2 1.0
assign (resid 92 and name HN )(resid 91 and name HA ) 2.5 0.7 0.2
assign (resid 92 and name HN )(resid 91 and name HB1 ) 4.0 2.2 1.0
assign (resid 92 and name HN )(resid 91 and name HB2 ) 4.0 2.2 1.0
assign (resid 92 and name HN )(resid 91 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 92 and name HN )(resid 95 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 92 and name HN )(resid 93 and name HN ) 4.0 2.2 1.0
assign (resid 92 and name HN )(resid 3 and name HG* ) 4.0 4.6 3.4 !#
!Lys-93
assign (resid 93 and name HN )(resid 93 and name HB# ) 2.5 1.3 0.8 !#
assign (resid 93 and name HN )(resid 93 and name HG# ) 3.0 2.2 1.5 !#
assign (resid 93 and name HN )(resid 93 and name HA ) 3.0 1.2 0.5
assign (resid 93 and name HA )(resid 93 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 93 and name HA )(resid 93 and name HG# ) 2.5 1.3 0.8 !#
assign (resid 93 and name HN )(resid 94 and name HN ) 2.5 0.7 0.2
assign (resid 93 and name HN )(resid 92 and name HA ) 2.5 0.7 0.2
assign (resid 93 and name HN )(resid 3 and name HG* ) 2.5 3.1 2.6 !#
assign (resid 93 and name HA )(resid 3 and name HG* ) 3.0 3.6 2.7 !#
assign (resid 93 and name HA )(resid 3 and name HB ) 4.0 2.2 1.0
assign (resid 93 and name HA )(resid 47 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 93 and name HA )(resid 47 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 93 and name HB# )(resid 3 and name HG* ) 3.0 4.6 3.7 ! !#
!Lys-94
assign (resid 94 and name HN )(resid 94 and name HA ) 4.0 2.2 1.0
assign (resid 94 and name HN )(resid 94 and name HB# ) 2.5 1.3 0.8 !#
assign (resid 94 and name HA )(resid 94 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 94 and name HB# )(resid 94 and name HD# ) 4.0 4.2 3.0 ! !#
assign (resid 94 and name HN )(resid 93 and name HA ) 4.0 2.2 1.0
assign (resid 94 and name HN )(resid 92 and name HA ) 4.0 2.2 1.0
assign (resid 94 and name HN )(resid 92 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 94 and name HN )(resid 3 and name HG* ) 4.0 4.6 3.4 !#
assign (resid 94 and name HN )(resid 47 and name HG1# ) 4.0 3.7 2.5 !#
!Met-95
assign (resid 95 and name HN )(resid 95 and name HA ) 4.0 2.2 1.0
assign (resid 95 and name HN )(resid 95 and name HB2 ) 4.0 2.2 1.0
assign (resid 95 and name HN )(resid 95 and name HG# ) 3.0 2.2 1.5 !#
assign (resid 95 and name HA )(resid 95 and name HB2 ) 4.0 2.2 1.0
assign (resid 95 and name HA )(resid 95 and name HB1 ) 3.0 1.2 0.3
assign (resid 95 and name HA )(resid 95 and name HG# ) 4.0 2.8 1.6 !#
assign (resid 95 and name HN )(resid 94 and name HA ) 2.5 0.7 0.2
assign (resid 95 and name HN )(resid 94 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 95 and name HN )(resid 93 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 95 and name HN )(resid 96 and name HN ) 4.0 2.2 1.0
assign (resid 95 and name HA )(resid 94 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 95 and name HN )(resid 47 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 95 and name HN )(resid 47 and name HG2# ) 4.0 3.7 2.5 !#
!Glu-96
assign (resid 96 and name HN )(resid 96 and name HA ) 3.0 1.2 0.5
assign (resid 96 and name HN )(resid 96 and name HB2 ) 3.0 1.2 0.5
assign (resid 96 and name HN )(resid 96 and name HB1 ) 4.0 2.2 1.0
assign (resid 96 and name HN )(resid 96 and name HG1 ) 3.0 2.2 1.5 !#
assign (resid 96 and name HN )(resid 96 and name HG2 ) 3.0 2.2 1.5 !#
assign (resid 96 and name HA )(resid 96 and name HB2 ) 4.0 2.2 1.0
assign (resid 96 and name HA )(resid 96 and name HB1 ) 3.0 1.2 0.3
assign (resid 96 and name HA )(resid 96 and name HG# ) 3.0 1.8 0.9 !#
assign (resid 96 and name HN )(resid 97 and name HN ) 4.0 2.2 1.0
assign (resid 96 and name HN )(resid 99 and name HD1 ) 2.5 0.7 0.2
assign (resid 96 and name HN )(resid 99 and name HE1 ) 3.0 1.2 0.5
assign (resid 96 and name HN )(resid 95 and name HA ) 2.5 0.7 0.2
assign (resid 96 and name HN )(resid 95 and name HB1 ) 4.0 2.2 1.0
assign (resid 96 and name HN )(resid 95 and name HB2 ) 4.0 2.2 1.0
assign (resid 96 and name HN )(resid 90 and name HE1 ) 4.0 2.2 1.0
!Lys-97
assign (resid 97 and name HN )(resid 97 and name HA ) 3.0 1.2 0.5
assign (resid 97 and name HN )(resid 97 and name HB1 ) 3.0 1.2 0.5
assign (resid 97 and name HN )(resid 97 and name HB2 ) 2.5 0.7 0.2
assign (resid 97 and name HN )(resid 97 and name HD# ) 2.5 1.7 1.2 !#
assign (resid 97 and name HN )(resid 97 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 97 and name HA )(resid 97 and name HB1 ) 2.5 0.7 0.2
assign (resid 97 and name HA )(resid 97 and name HB2 ) 4.0 2.2 1.0
assign (resid 97 and name HA )(resid 97 and name HG# ) 4.0 2.8 1.6 !#
assign (resid 97 and name HA )(resid 97 and name HD# ) 4.0 3.2 2.0 !#
assign (resid 97 and name HN )(resid 98 and name HN ) 2.5 0.7 0.2
assign (resid 97 and name HN )(resid 97 and name HA ) 3.0 1.2 0.5
assign (resid 97 and name HN )(resid 96 and name HA ) 2.5 0.7 0.2
assign (resid 97 and name HN )(resid 96 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 97 and name HN )(resid 96 and name HB2 ) 4.0 2.2 1.0
assign (resid 97 and name HN )(resid 96 and name HB1 ) 3.0 1.2 0.5
assign (resid 97 and name HN )(resid 100 and name HG2# ) 3.0 2.7 2.0 !#
assign (resid 97 and name HA )(resid 100 and name HB ) 4.0 2.2 1.0
assign (resid 97 and name HA )(resid 100 and name HG2# ) 2.5 2.2 1.7 !#
assign (resid 97 and name HA )(resid 100 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 97 and name HA )(resid 115 and name HB# ) 4.0 3.7 2.5 !#
!Arg-98
assign (resid 98 and name HN )(resid 98 and name HA ) 3.0 1.2 0.5
assign (resid 98 and name HN )(resid 98 and name HB# ) 2.5 1.3 0.8 !#
assign (resid 98 and name HN )(resid 98 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 98 and name HA )(resid 98 and name HD# ) 4.0 3.2 2.0 !#
assign (resid 98 and name HA )(resid 98 and name HG# ) 4.0 2.8 1.6 !#
assign (resid 98 and name HA )(resid 98 and name HB# ) 3.0 2.2 1.3 !#
assign (resid 98 and name HN )(resid 100 and name HN ) 4.0 2.2 1.0
assign (resid 98 and name HN )(resid 99 and name HD1 ) 4.0 2.2 1.0
assign (resid 98 and name HN )(resid 96 and name HA ) 4.0 2.2 1.0
assign (resid 98 and name HN )(resid 97 and name HA ) 4.0 2.2 1.0
assign (resid 98 and name HN )(resid 97 and name HB1 ) 4.0 2.2 1.0
assign (resid 98 and name HN )(resid 97 and name HB2 ) 3.0 1.2 0.5
assign (resid 98 and name HN )(resid 96 and name HB2 ) 4.0 2.2 1.0
assign (resid 98 and name HN )(resid 96 and name HB1 ) 3.0 1.2 0.5
!Phe-99
assign (resid 99 and name HN )(resid 99 and name HD1 ) 2.5 0.7 0.2
assign (resid 99 and name HN )(resid 99 and name HA ) 4.0 2.2 1.0
assign (resid 99 and name HN )(resid 99 and name HB1 ) 4.0 2.2 1.0
assign (resid 99 and name HN )(resid 99 and name HB2 ) 2.5 0.7 0.2
assign (resid 99 and name HA )(resid 99 and name HB1 ) 3.0 1.2 0.3
assign (resid 99 and name HA )(resid 99 and name HB2 ) 4.0 2.2 1.0
assign (resid 99 and name HD2 )(resid 99 and name HA ) 3.0 1.2 0.3
assign (resid 99 and name HD2 )(resid 99 and name HB1 ) 3.0 1.2 0.3
assign (resid 99 and name HD1 )(resid 99 and name HB2 ) 3.0 1.2 0.3
assign (resid 99 and name HN )(resid 100 and name HN ) 2.5 0.7 0.2
assign (resid 99 and name HN )(resid 98 and name HA ) 4.0 2.2 1.0
assign (resid 99 and name HN )(resid 100 and name HG2# ) 3.0 2.7 2.0 !#
assign (resid 99 and name HN )(resid 100 and name HB ) 4.0 2.2 1.0
assign (resid 99 and name HN )(resid 98 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 99 and name HN )(resid 98 and name HB# ) 3.0 2.2 1.5 !#
assign (resid 99 and name HN )(resid 96 and name HB2 ) 4.0 2.2 1.0
assign (resid 99 and name HA )(resid 98 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 99 and name HB1 )(resid 95 and name HE# ) 3.0 2.7 1.8 !#
assign (resid 99 and name HB2 )(resid 95 and name HE# ) 4.0 3.7 2.5 !#
assign (resid 99 and name HB2 )(resid 95 and name HG# ) 3.0 2.2 1.3 !#
assign (resid 99 and name HB2 )(resid 100 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 99 and name HD2 )(resid 101 and name HE1 ) 4.0 2.2 1.0
assign (resid 99 and name HD1 )(resid 96 and name HB1 ) 4.0 2.2 1.0
assign (resid 99 and name HD1 )(resid 96 and name HB2 ) 4.0 2.2 1.0
assign (resid 99 and name HD1 )(resid 95 and name HE# ) 3.0 2.7 1.8 !#
assign (resid 99 and name HE# )(resid 98 and name HG# ) 4.0 5.2 4.0 ! !#
assign (resid 99 and name HE1 )(resid 96 and name HB1 ) 4.0 2.2 1.0
assign (resid 99 and name HE1 )(resid 96 and name HB2 ) 4.0 2.2 1.0
assign (resid 99 and name HD2 )(resid 68 and name HB1 ) 4.0 2.2 1.0
assign (resid 99 and name HD2 )(resid 68 and name HB2 ) 4.0 2.2 1.0
assign (resid 99 and name HD2 )(resid 70 and name HA ) 4.0 2.2 1.0
assign (resid 99 and name HD2 )(resid 70 and name HB1 ) 3.0 1.2 0.3
assign (resid 99 and name HD2 )(resid 70 and name HB2 ) 4.0 2.2 1.0
assign (resid 99 and name HE2 )(resid 68 and name HB2 ) 4.0 2.2 1.0
assign (resid 99 and name HE2 )(resid 70 and name HB1 ) 3.0 1.2 0.3
assign (resid 99 and name HE2 )(resid 83 and name HB1 ) 4.0 2.2 1.0
assign (resid 99 and name HE2 )(resid 83 and name HB2 ) 4.0 2.2 1.0
assign (resid 99 and name HE2 )(resid 83 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 99 and name HZ )(resid 83 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 99 and name HZ )(resid 85 and name HB ) 4.0 2.2 1.0
assign (resid 99 and name HZ )(resid 85 and name HG1# ) 3.0 2.7 1.8 !#
!Val-100
assign (resid 100 and name HN )(resid 100 and name HA ) 3.0 1.2 0.5
assign (resid 100 and name HN )(resid 100 and name HB ) 2.5 0.7 0.2
assign (resid 100 and name HN )(resid 100 and name HG2# ) 2.5 2.2 1.7 !#
assign (resid 100 and name HN )(resid 100 and name HG1# ) 3.0 2.7 2.0 !#
assign (resid 100 and name HA )(resid 100 and name HB ) 4.0 2.2 1.0
assign (resid 100 and name HA )(resid 100 and name HG2# ) 4.0 3.3 2.1 !#
assign (resid 100 and name HA )(resid 100 and name HG1# ) 3.0 2.3 1.4 !#
assign (resid 100 and name HN )(resid 101 and name HN ) 4.0 2.2 1.0
assign (resid 100 and name HN )(resid 99 and name HA ) 4.0 2.2 1.0
assign (resid 100 and name HN )(resid 98 and name HA ) 4.0 2.2 1.0
assign (resid 100 and name HN )(resid 97 and name HA ) 3.0 1.2 0.5
assign (resid 100 and name HN )(resid 97 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 100 and name HN )(resid 99 and name HB2 ) 4.0 2.2 1.0
assign (resid 100 and name HB )(resid 97 and name HD# ) 3.0 2.2 1.3 !#
assign (resid 100 and name HG2# )(resid 95 and name HG# ) 4.0 4.7 3.5 ! !#
assign (resid 100 and name HG2# )(resid 97 and name HD# ) 4.0 4.7 3.5 ! !#
assign (resid 100 and name HG2# )(resid 97 and name HB# ) 4.0 4.7 3.5 ! !#
assign (resid 100 and name HN )(resid 115 and name HB# ) 3.0 2.7 2.0 !#
assign (resid 100 and name HA )(resid 59 and name HB# ) 4.0 3.7 2.5 !#
!Phe-101
assign (resid 101 and name HN )(resid 101 and name HA ) 4.0 2.2 1.0
assign (resid 101 and name HN )(resid 101 and name HB# ) 3.0 1.8 1.1 !#
assign (resid 101 and name HN )(resid 101 and name HD1 ) 2.5 0.7 0.2
assign (resid 101 and name HD1 )(resid 101 and name HA ) 4.0 2.2 1.0
assign (resid 101 and name HD2 )(resid 101 and name HA ) 4.0 2.2 1.0
assign (resid 101 and name HD1 )(resid 101 and name HB2 ) 2.5 0.7 0.2
assign (resid 101 and name HD2 )(resid 101 and name HB1 ) 2.5 0.7 0.2
assign (resid 101 and name HN )(resid 100 and name HA ) 2.5 0.7 0.2
assign (resid 101 and name HN )(resid 100 and name HG2# ) 3.0 2.7 2.0 !#
assign (resid 101 and name HN )(resid 100 and name HG1# ) 2.5 2.2 1.7 !#
assign (resid 101 and name HN )(resid 100 and name HB ) 4.0 2.2 1.0
assign (resid 101 and name HN )(resid 102 and name HN ) 4.0 2.2 1.0
assign (resid 101 and name HN )(resid 57 and name HA ) 4.0 2.2 1.0
assign (resid 101 and name HA )(resid 114 and name HA ) 4.0 2.2 1.0
assign (resid 101 and name HD2 )(resid 112 and name HD2 ) 4.0 2.2 1.0
assign (resid 101 and name HD2 )(resid 112 and name HA ) 4.0 2.2 1.0
assign (resid 101 and name HD2 )(resid 112 and name HB1 ) 3.0 1.2 0.3
assign (resid 101 and name HD2 )(resid 113 and name HA ) 4.0 2.2 1.0
assign (resid 101 and name HD2 )(resid 122 and name HG1# ) 4.0 3.2 2.0 !#
assign (resid 101 and name HD2 )(resid 122 and name HD# ) 4.0 3.7 2.5 !#
assign (resid 101 and name HD1 )(resid 60 and name HG ) 4.0 2.2 1.0
assign (resid 101 and name HD1 )(resid 60 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 101 and name HD1 )(resid 59 and name HA ) 4.0 2.2 1.0
assign (resid 101 and name HD1 )(resid 69 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 101 and name HD# )(resid 58 and name HG1# ) 4.0 5.7 4.5 ! !#
assign (resid 101 and name HD2 )(resid 114 and name HA ) 4.0 2.2 1.0
assign (resid 101 and name HD2 )(resid 121 and name HA ) 4.0 2.2 1.0
assign (resid 101 and name HE2 )(resid 134 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 101 and name HE2 )(resid 134 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 101 and name HE# )(resid 80 and name HD1# ) 4.0 5.7 4.5 ! !#
assign (resid 101 and name HE2 )(resid 114 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 101 and name HE2 )(resid 114 and name HA ) 4.0 2.2 1.0
assign (resid 101 and name HE1 )(resid 69 and name HD* ) 4.0 4.6 3.4 !#
assign (resid 101 and name HE1 )(resid 60 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 101 and name HE2 )(resid 122 and name HD# ) 4.0 3.7 2.5 !#
assign (resid 101 and name HE1 )(resid 69 and name HB1 ) 4.0 2.2 1.0
assign (resid 101 and name HE1 )(resid 69 and name HB2 ) 4.0 2.2 1.0
assign (resid 101 and name HE2 )(resid 122 and name HG1# ) 3.0 2.2 1.3 !#
assign (resid 101 and name HZ )(resid 80 and name HD1# ) 3.0 2.7 1.8 !#
assign (resid 101 and name HZ )(resid 70 and name HA ) 4.0 2.2 1.0
assign (resid 101 and name HZ )(resid 69 and name HB2 ) 4.0 2.2 1.0
assign (resid 101 and name HZ )(resid 69 and name HB1 ) 3.0 1.2 0.3
assign (resid 101 and name HZ )(resid 122 and name HD# ) 4.0 3.7 2.5 !#
!Asn-102
assign (resid 102 and name HN )(resid 102 and name HA ) 4.0 2.2 1.0
assign (resid 102 and name HN )(resid 102 and name HB1 ) 4.0 2.2 1.0
assign (resid 102 and name HN )(resid 102 and name HB2 ) 4.0 2.2 1.0
assign (resid 102 and name HA )(resid 102 and name HB1 ) 4.0 2.2 1.0
assign (resid 102 and name HA )(resid 102 and name HB2 ) 3.0 1.2 0.3
assign (resid 102 and name HD21 )(resid 102 and name HB1 ) 3.0 2.2 0.5 !
assign (resid 102 and name HD21 )(resid 102 and name HB2 ) 3.0 2.2 0.5 !
assign (resid 102 and name HN )(resid 103 and name HN ) 4.0 2.2 1.0
assign (resid 102 and name HN )(resid 101 and name HD2 ) 4.0 2.2 1.0
assign (resid 102 and name HN )(resid 101 and name HA ) 2.5 0.7 0.2
assign (resid 102 and name HN )(resid 101 and name HB# ) 3.0 2.2 1.5 !#
assign (resid 102 and name HA )(resid 101 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 102 and name HB1 )(resid 104 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 102 and name HD21 )(resid 100 and name HG* ) 4.0 5.6 3.4 ! !#
assign (resid 102 and name HD21 )(resid 55 and name HD# ) 4.0 4.2 2.0 ! !#
assign (resid 102 and name HD22 )(resid 55 and name HD# ) 4.0 4.2 2.0 ! !#
assign (resid 102 and name HN )(resid 113 and name HN ) 3.0 1.2 0.5
assign (resid 102 and name HN )(resid 115 and name HN ) 3.0 1.2 0.5
assign (resid 102 and name HN )(resid 112 and name HD2 ) 4.0 2.2 1.0
assign (resid 102 and name HN )(resid 113 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 102 and name HN )(resid 114 and name HA ) 4.0 2.2 1.0
assign (resid 102 and name HA )(resid 55 and name HB1 ) 4.0 2.2 1.0
assign (resid 102 and name HB1 )(resid 55 and name HD# ) 3.0 2.2 1.3 !#
assign (resid 102 and name HB2 )(resid 55 and name HD# ) 3.0 2.2 1.3 !#
!Lys-103
assign (resid 103 and name HN )(resid 102 and name HA ) 2.5 0.7 0.2
assign (resid 103 and name HN )(resid 102 and name HB1 ) 4.0 2.2 1.0
assign (resid 103 and name HN )(resid 102 and name HB2 ) 4.0 2.2 1.0
assign (resid 103 and name HN )(resid 112 and name HD2 ) 4.0 2.2 1.0
assign (resid 103 and name HN )(resid 57 and name HA ) 3.0 1.2 0.5
assign (resid 103 and name HA )(resid 58 and name HG1# ) 4.0 3.7 2.5 !#
!Ile-104
assign (resid 104 and name HN )(resid 104 and name HA ) 4.0 2.2 1.0
assign (resid 104 and name HN )(resid 104 and name HB ) 2.5 0.7 0.2
assign (resid 104 and name HN )(resid 104 and name HG1# ) 4.0 3.2 2.0 !#
assign (resid 104 and name HN )(resid 104 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 104 and name HN )(resid 104 and name HD# ) 4.0 3.7 2.5 !#
assign (resid 104 and name HA )(resid 104 and name HB ) 4.0 2.2 1.0
assign (resid 104 and name HA )(resid 104 and name HG1# ) 4.0 2.8 1.6 !#
assign (resid 104 and name HA )(resid 104 and name HG2# ) 2.5 1.8 1.3 !#
assign (resid 104 and name HA )(resid 104 and name HD# ) 4.0 3.7 2.5 !#
assign (resid 104 and name HG2# )(resid 104 and name HD# ) 2.5 3.7 3.2 ! !#
assign (resid 104 and name HG2# )(resid 104 and name HG1# ) 3.0 3.7 2.8 ! !#

assign (resid 104 and name HN )(resid 103 and name HA ) 4.0 2.2 1.0
assign (resid 104 and name HN )(resid 105 and name HN ) 4.0 2.2 1.0
assign (resid 104 and name HG2# )(resid 106 and name HD# ) 3.0 4.2 3.3 ! !#
assign (resid 104 and name HN )(resid 111 and name HN ) 3.0 1.2 0.5
assign (resid 104 and name HN )(resid 112 and name HD# ) 4.0 4.2 3.0 !#
assign (resid 104 and name HN )(resid 110 and name HA ) 4.0 2.2 1.0
assign (resid 104 and name HN )(resid 112 and name HA ) 4.0 2.2 1.0
assign (resid 104 and name HN )(resid 110 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 104 and name HA )(resid 111 and name HB# ) 4.0 3.2 2.0 !#
!Glu-105
assign (resid 105 and name HN )(resid 105 and name HA ) 3.0 1.2 0.5
assign (resid 105 and name HN )(resid 105 and name HB1 ) 4.0 2.2 1.0
assign (resid 105 and name HN )(resid 105 and name HB2 ) 2.5 0.7 0.2
assign (resid 105 and name HN )(resid 105 and name HG1 ) 4.0 3.2 2.0 !#
assign (resid 105 and name HN )(resid 105 and name HG2 ) 4.0 3.2 2.0 !#
assign (resid 105 and name HA )(resid 105 and name HB1 ) 2.5 0.7 0.2
assign (resid 105 and name HA )(resid 105 and name HB2 ) 3.0 1.2 0.3
assign (resid 105 and name HA )(resid 105 and name HG1 ) 4.0 2.8 1.6 !#
assign (resid 105 and name HA )(resid 105 and name HG2 ) 4.0 2.8 1.6 !#
assign (resid 105 and name HN )(resid 106 and name HN ) 4.0 2.2 1.0
assign (resid 105 and name HN )(resid 104 and name HA ) 2.5 0.7 0.2
assign (resid 105 and name HN )(resid 104 and name HB ) 3.0 1.2 0.5
assign (resid 105 and name HN )(resid 104 and name HG1# ) 4.0 3.2 2.0 !#
assign (resid 105 and name HN )(resid 104 and name HG2# ) 2.5 2.2 1.7 !#
assign (resid 105 and name HA )(resid 110 and name HA ) 2.5 0.7 0.2
assign (resid 105 and name HA )(resid 110 and name HD2# ) 2.5 2.2 1.7 !#
assign (resid 105 and name HA )(resid 110 and name HB1 ) 4.0 2.2 1.0
assign (resid 105 and name HB2 )(resid 110 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 105 and name HN )(resid 111 and name HN ) 4.0 2.2 1.0
!Ile-106
assign (resid 106 and name HN )(resid 106 and name HA ) 3.0 1.2 0.5
assign (resid 106 and name HN )(resid 106 and name HB ) 2.5 0.7 0.2
assign (resid 106 and name HN )(resid 106 and name HG1# ) 4.0 3.2 2.0 !#
assign (resid 106 and name HN )(resid 106 and name HG2# ) 3.0 2.7 1.8 !#
assign (resid 106 and name HA )(resid 106 and name HB ) 3.0 1.2 0.3
assign (resid 106 and name HA )(resid 106 and name HG2# ) 3.0 2.3 1.4 !#
assign (resid 106 and name HA )(resid 106 and name HG11 ) 4.0 2.8 1.6 !#
assign (resid 106 and name HA )(resid 106 and name HG12 ) 4.0 2.8 1.6 !#
assign (resid 106 and name HG2# )(resid 106 and name HG1# ) 4.0 4.7 3.5 ! !#

assign (resid 106 and name HD# )(resid 106 and name HB ) 3.0 2.7 1.8 !
assign (resid 106 and name HD# )(resid 106 and name HG11 ) 2.5 3.2 2.7 ! !#
assign (resid 106 and name HD# )(resid 106 and name HG12 ) 2.5 3.2 2.7 ! !#
assign (resid 106 and name HN )(resid 109 and name HN ) 2.5 0.7 0.2
assign (resid 106 and name HN )(resid 107 and name HN ) 4.0 2.2 1.0
assign (resid 106 and name HN )(resid 105 and name HA ) 2.5 0.7 0.2
assign (resid 106 and name HN )(resid 105 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 106 and name HN )(resid 105 and name HB1 ) 4.0 2.2 1.0
assign (resid 106 and name HN )(resid 105 and name HB2 ) 4.0 2.2 1.0
assign (resid 106 and name HN )(resid 110 and name HA ) 4.0 2.2 1.0
assign (resid 106 and name HN )(resid 110 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 106 and name HB )(resid 104 and name HG2# ) 4.0 3.7 2.5 !#
!Asn-107
assign (resid 107 and name HN )(resid 107 and name HA ) 3.0 1.2 0.5
assign (resid 107 and name HN )(resid 107 and name HB# ) 2.5 1.3 0.8 !#
assign (resid 107 and name HA )(resid 107 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 107 and name HN )(resid 108 and name HN ) 2.5 0.7 0.2
assign (resid 107 and name HN )(resid 109 and name HN ) 4.0 2.2 1.0
assign (resid 107 and name HN )(resid 106 and name HA ) 2.5 0.7 0.2
assign (resid 107 and name HN )(resid 106 and name HB ) 4.0 2.2 1.0
assign (resid 107 and name HN )(resid 106 and name HG1# ) 4.0 3.2 2.0 !#
assign (resid 107 and name HN )(resid 106 and name HG2# ) 2.5 2.2 1.7 !#
!Asn-108
assign (resid 108 and name HN )(resid 108 and name HA ) 2.5 0.7 0.2
assign (resid 108 and name HN )(resid 108 and name HB# ) 3.0 1.8 1.1 !#
assign (resid 108 and name HA )(resid 108 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 108 and name HN )(resid 109 and name HN ) 2.5 0.7 0.2
assign (resid 108 and name HN )(resid 106 and name HN ) 4.0 2.2 1.0
assign (resid 108 and name HN )(resid 107 and name HA ) 3.0 1.2 0.5
assign (resid 108 and name HN )(resid 107 and name HB1 ) 4.0 2.2 1.0
assign (resid 108 and name HN )(resid 107 and name HB2 ) 4.0 2.2 1.0
assign (resid 108 and name HN )(resid 106 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 108 and name HN )(resid 105 and name HG# ) 4.0 3.2 2.0 !#
!Lys-109
assign (resid 109 and name HN )(resid 109 and name HA ) 4.0 2.2 1.0
assign (resid 109 and name HN )(resid 109 and name HB1 ) 4.0 2.2 1.0
assign (resid 109 and name HN )(resid 109 and name HB2 ) 2.5 0.7 0.2
assign (resid 109 and name HN )(resid 109 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 109 and name HN )(resid 109 and name HD# ) 4.0 3.2 2.0 !#
assign (resid 109 and name HA )(resid 109 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 109 and name HA )(resid 109 and name HG1 ) 3.0 1.8 0.9 !#
assign (resid 109 and name HA )(resid 109 and name HG2 ) 3.0 1.8 0.9 !#
assign (resid 109 and name HN )(resid 105 and name HA ) 4.0 2.2 1.0
assign (resid 109 and name HN )(resid 108 and name HA ) 3.0 1.2 0.5
assign (resid 109 and name HN )(resid 107 and name HA ) 4.0 2.2 1.0
assign (resid 109 and name HN )(resid 108 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 109 and name HN )(resid 107 and name HB1 ) 4.0 2.2 1.0
assign (resid 109 and name HN )(resid 107 and name HB2 ) 4.0 2.2 1.0
assign (resid 109 and name HN )(resid 110 and name HN ) 4.0 2.2 1.0
assign (resid 109 and name HA )(resid 110 and name HG ) 4.0 2.2 1.0
assign (resid 109 and name HA )(resid 147 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 109 and name HB1 )(resid 145 and name HB1 ) 4.0 2.2 1.0
assign (resid 109 and name HB2 )(resid 145 and name HB1 ) 4.0 2.2 1.0
!Leu-110
assign (resid 110 and name HN )(resid 110 and name HA ) 3.0 1.2 0.5
assign (resid 110 and name HN )(resid 110 and name HB2 ) 2.5 0.7 0.2
assign (resid 110 and name HN )(resid 110 and name HB1 ) 4.0 2.2 1.0
assign (resid 110 and name HN )(resid 110 and name HG ) 3.0 1.2 0.5
assign (resid 110 and name HN )(resid 110 and name HD1# ) 3.0 2.7 2.0 !#
assign (resid 110 and name HN )(resid 110 and name HD2# ) 3.0 2.7 2.0 !#
assign (resid 110 and name HA )(resid 110 and name HB2 ) 4.0 2.2 1.0
assign (resid 110 and name HA )(resid 110 and name HB1 ) 3.0 1.2 0.3
assign (resid 110 and name HA )(resid 110 and name HG ) 4.0 2.2 1.0
assign (resid 110 and name HA )(resid 110 and name HD2# ) 3.0 2.7 1.8 !#
assign (resid 110 and name HN )(resid 109 and name HA ) 2.5 0.7 0.2
assign (resid 110 and name HN )(resid 109 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 110 and name HN )(resid 111 and name HN ) 4.0 2.2 1.0
assign (resid 110 and name HD1# )(resid 109 and name HA ) 4.0 3.7 2.5 !
assign (resid 110 and name HN )(resid 146 and name HN ) 3.0 1.2 0.5
assign (resid 110 and name HN )(resid 148 and name HN ) 4.0 2.2 1.0
assign (resid 110 and name HN )(resid 145 and name HA ) 4.0 2.2 1.0
assign (resid 110 and name HN )(resid 145 and name HB1 ) 4.0 2.2 1.0
assign (resid 110 and name HN )(resid 146 and name HB2 ) 4.0 2.2 1.0
assign (resid 110 and name HD1# )(resid 148 and name HB# ) 3.0 3.7 2.8 ! !#
!Glu-111
assign (resid 111 and name HN )(resid 111 and name HA ) 4.0 2.2 1.0
assign (resid 111 and name HN )(resid 111 and name HB# ) 4.0 2.8 1.6 !#
assign (resid 111 and name HA )(resid 111 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 111 and name HA )(resid 111 and name HG1 ) 4.0 2.8 1.6 !#
assign (resid 111 and name HA )(resid 111 and name HG2 ) 4.0 2.8 1.6 !#
assign (resid 111 and name HN )(resid 112 and name HD1 ) 4.0 2.2 1.0
assign (resid 111 and name HN )(resid 105 and name HA ) 4.0 2.2 1.0
assign (resid 111 and name HN )(resid 110 and name HB2 ) 4.0 2.2 1.0
assign (resid 111 and name HN )(resid 110 and name HB1 ) 3.0 1.2 0.5
assign (resid 111 and name HN )(resid 110 and name HD2# ) 2.5 2.2 1.7 !#
assign (resid 111 and name HA )(resid 110 and name HB1 ) 4.0 2.2 1.0
assign (resid 111 and name HN )(resid 105 and name HN ) 4.0 2.2 1.0
assign (resid 111 and name HN )(resid 104 and name HB ) 4.0 2.2 1.0
assign (resid 111 and name HN )(resid 105 and name HA ) 4.0 2.2 1.0
assign (resid 111 and name HN )(resid 104 and name HG1# ) 4.0 3.2 2.0 !#
!Phe-112
assign (resid 112 and name HN )(resid 112 and name HD1 ) 4.0 2.2 1.0
assign (resid 112 and name HN )(resid 112 and name HA ) 4.0 2.2 1.0
assign (resid 112 and name HD2 )(resid 112 and name HA ) 4.0 2.2 1.0
assign (resid 112 and name HD2 )(resid 112 and name HB1 ) 3.0 1.2 0.3
assign (resid 112 and name HD1 )(resid 112 and name HB2 ) 3.0 1.2 0.3
assign (resid 112 and name HN )(resid 111 and name HA ) 4.0 2.2 1.0
assign (resid 112 and name HD1 )(resid 110 and name HB2 ) 4.0 2.2 1.0
assign (resid 112 and name HD1 )(resid 110 and name HB1 ) 4.0 2.2 1.0
assign (resid 112 and name HE1 )(resid 110 and name HD1# ) 3.0 2.7 1.8 !#
assign (resid 112 and name HE1 )(resid 110 and name HB# ) 3.0 2.2 1.3 !#
assign (resid 112 and name HZ )(resid 110 and name HD1# ) 3.0 2.7 1.8 !#
assign (resid 112 and name HA )(resid 101 and name HB# ) 3.0 2.2 1.3 !#
assign (resid 112 and name HD2 )(resid 60 and name HG ) 4.0 2.2 1.0
assign (resid 112 and name HD2 )(resid 58 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 112 and name HD1 )(resid 146 and name HE1 ) 4.0 2.2 1.0
assign (resid 112 and name HD2 )(resid 101 and name HB# ) 3.0 2.2 1.3 !#
assign (resid 112 and name HD2 )(resid 60 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 112 and name HD2 )(resid 60 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 112 and name HD1 )(resid 122 and name HD# ) 2.5 2.2 1.7 !#
assign (resid 112 and name HD1 )(resid 10 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 112 and name HD2 )(resid 103 and name HA ) 4.0 2.2 1.0
assign (resid 112 and name HD2 )(resid 103 and name HB1 ) 4.0 2.2 1.0
assign (resid 112 and name HD2 )(resid 103 and name HB2 ) 4.0 2.2 1.0
assign (resid 112 and name HE1 )(resid 10 and name HD1# ) 3.0 2.7 1.8 !#
assign (resid 112 and name HE1 )(resid 10 and name HD2# ) 3.0 2.7 1.8 !#
assign (resid 112 and name HE2 )(resid 103 and name HB# ) 3.0 2.2 1.3 !#
assign (resid 112 and name HE2 )(resid 103 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 112 and name HE2 )(resid 103 and name HD# ) 4.0 3.2 2.0 !#
assign (resid 112 and name HE2 )(resid 58 and name HG2# ) 3.0 2.7 1.8 !#
assign (resid 112 and name HE2 )(resid 58 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 112 and name HE1 )(resid 146 and name HB1 ) 4.0 2.2 1.0
assign (resid 112 and name HE1 )(resid 146 and name HB2 ) 3.0 1.2 0.3
assign (resid 112 and name HE1 )(resid 146 and name HD# ) 3.0 3.2 2.3 !#
assign (resid 112 and name HZ )(resid 60 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 112 and name HZ )(resid 60 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 112 and name HZ )(resid 10 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 112 and name HZ )(resid 10 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 112 and name HZ )(resid 148 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 112 and name HZ )(resid 146 and name HB1 ) 4.0 2.2 1.0
assign (resid 112 and name HZ )(resid 146 and name HB2 ) 4.0 2.2 1.0
assign (resid 112 and name HZ )(resid 10 and name HG ) 4.0 2.2 1.0
!Glu-113
assign (resid 113 and name HN )(resid 113 and name HA ) 4.0 2.2 1.0
assign (resid 113 and name HN )(resid 113 and name HB# ) 4.0 2.8 1.6 !#
assign (resid 113 and name HN )(resid 113 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 113 and name HA )(resid 113 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 113 and name HN )(resid 112 and name HD2 ) 4.0 2.2 1.0
assign (resid 113 and name HN )(resid 112 and name HA ) 2.5 0.7 0.2
assign (resid 113 and name HN )(resid 112 and name HB# ) 3.0 2.2 1.5 !#
assign (resid 113 and name HN )(resid 101 and name HD2 ) 4.0 2.2 1.0
assign (resid 113 and name HN )(resid 121 and name HE1 ) 4.0 2.2 1.0
assign (resid 113 and name HN )(resid 121 and name HD1 ) 4.0 2.2 1.0
assign (resid 113 and name HN )(resid 104 and name HD# ) 3.0 2.7 2.0 !#
assign (resid 113 and name HN )(resid 104 and name HG1# ) 4.0 3.2 2.0 !#
assign (resid 113 and name HN )(resid 102 and name HB1 ) 4.0 2.2 1.0
assign (resid 113 and name HN )(resid 102 and name HB2 ) 3.0 1.2 0.5
assign (resid 113 and name HA )(resid 121 and name HA ) 4.0 2.2 1.0
assign (resid 113 and name HB# )(resid 104 and name HG1# ) 4.0 4.2 3.0 ! !#
!Ser-114
assign (resid 114 and name HN )(resid 114 and name HA ) 4.0 2.2 1.0
assign (resid 114 and name HN )(resid 114 and name HB1 ) 2.5 0.7 0.2
assign (resid 114 and name HN )(resid 114 and name HB2 ) 3.0 1.2 0.5
assign (resid 114 and name HA )(resid 114 and name HB1 ) 4.0 2.2 1.0
assign (resid 114 and name HA )(resid 114 and name HB2 ) 3.0 1.2 0.3
assign (resid 114 and name HN )(resid 115 and name HN ) 4.0 2.2 1.0
assign (resid 114 and name HN )(resid 119 and name HN ) 4.0 2.2 1.0
assign (resid 114 and name HN )(resid 113 and name HA ) 2.5 0.7 0.2
assign (resid 114 and name HN )(resid 113 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 114 and name HA )(resid 115 and name HB# ) 4.0 3.7 2.5 !#
assign (resid 114 and name HB1 )(resid 113 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 114 and name HN )(resid 121 and name HD# ) 4.0 4.2 3.0 !#
assign (resid 114 and name HN )(resid 121 and name HA ) 3.0 1.2 0.5
assign (resid 114 and name HN )(resid 134 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 114 and name HN )(resid 134 and name HD2# ) 3.0 2.7 2.0 !#
assign (resid 114 and name HN )(resid 120 and name HB1 ) 4.0 2.2 1.0
assign (resid 114 and name HA )(resid 122 and name HD# ) 4.0 3.7 2.5 !#
assign (resid 114 and name HB1 )(resid 71 and name HB1 ) 4.0 2.2 1.0
assign (resid 114 and name HB1 )(resid 134 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 114 and name HB2 )(resid 134 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 114 and name HB2 )(resid 134 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 114 and name HB2 )(resid 120 and name HB1 ) 4.0 2.2 1.0
!Ala-115
assign (resid 115 and name HN )(resid 115 and name HA ) 3.0 1.2 0.5
assign (resid 115 and name HN )(resid 115 and name HB# ) 2.5 1.8 1.3 !#
assign (resid 115 and name HN )(resid 116 and name HN ) 4.0 2.2 1.0
assign (resid 115 and name HN )(resid 117 and name HN ) 4.0 2.2 1.0
assign (resid 115 and name HN )(resid 114 and name HA ) 3.0 1.2 0.5
assign (resid 115 and name HN )(resid 114 and name HB1 ) 4.0 2.2 1.0
assign (resid 115 and name HN )(resid 116 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 115 and name HN )(resid 101 and name HD2 ) 4.0 2.2 1.0
assign (resid 115 and name HN )(resid 101 and name HA ) 3.0 1.2 0.5
assign (resid 115 and name HN )(resid 100 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 115 and name HN )(resid 100 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 115 and name HN )(resid 100 and name HB ) 4.0 2.2 1.0
assign (resid 115 and name HN )(resid 71 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 115 and name HB# )(resid 100 and name HB ) 2.5 2.2 1.7 !
assign (resid 115 and name HB# )(resid 97 and name HE# ) 3.0 3.7 2.8 ! !#
assign (resid 115 and name HB# )(resid 100 and name HG2# ) 2.5 3.7 3.2 ! !#
!Gln-116
assign (resid 116 and name HN )(resid 116 and name HA ) 4.0 2.2 1.0
assign (resid 116 and name HN )(resid 116 and name HB1 ) 2.5 0.7 0.2
assign (resid 116 and name HN )(resid 116 and name HB2 ) 4.0 2.2 1.0
assign (resid 116 and name HN )(resid 116 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 116 and name HA )(resid 116 and name HG1 ) 3.0 1.8 0.9 !#
assign (resid 116 and name HA )(resid 116 and name HG2 ) 3.0 1.8 0.9 !#
assign (resid 116 and name HA )(resid 116 and name HB1 ) 4.0 2.2 1.0
assign (resid 116 and name HA )(resid 116 and name HB2 ) 4.0 2.2 1.0
assign (resid 116 and name HN )(resid 117 and name HN ) 2.5 0.7 0.2
assign (resid 116 and name HN )(resid 117 and name HD2 ) 4.0 2.2 1.0
assign (resid 116 and name HN )(resid 114 and name HN ) 4.0 2.2 1.0
assign (resid 116 and name HN )(resid 115 and name HA ) 4.0 2.2 1.0
assign (resid 116 and name HN )(resid 114 and name HA ) 4.0 2.2 1.0
assign (resid 116 and name HN )(resid 115 and name HB# ) 2.5 2.2 1.7 !#
assign (resid 116 and name HA )(resid 97 and name HE# ) 4.0 3.2 2.0 !#
!Phe-117
assign (resid 117 and name HN )(resid 117 and name HD2 ) 3.0 1.2 0.5
assign (resid 117 and name HN )(resid 117 and name HA ) 4.0 2.2 1.0
assign (resid 117 and name HN )(resid 117 and name HB# ) 2.5 1.3 0.8 !#
assign (resid 117 and name HA )(resid 117 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 117 and name HD1 )(resid 117 and name HA ) 4.0 2.2 1.0
assign (resid 117 and name HD1 )(resid 117 and name HB1 ) 4.0 2.2 1.0
assign (resid 117 and name HD2 )(resid 117 and name HB2 ) 4.0 2.2 1.0
assign (resid 117 and name HN )(resid 114 and name HN ) 4.0 2.2 1.0
assign (resid 117 and name HN )(resid 116 and name HN ) 2.5 0.7 0.2
assign (resid 117 and name HN )(resid 114 and name HA ) 4.0 2.2 1.0
assign (resid 117 and name HN )(resid 114 and name HB2 ) 4.0 2.2 1.0
assign (resid 117 and name HN )(resid 114 and name HB1 ) 3.0 1.2 0.5
assign (resid 117 and name HN )(resid 116 and name HA ) 4.0 2.2 1.0
assign (resid 117 and name HN )(resid 118 and name HD1 ) 4.0 3.2 2.0 !#
assign (resid 117 and name HN )(resid 118 and name HD2 ) 4.0 3.2 2.0 !#
assign (resid 117 and name HN )(resid 116 and name HB1 ) 4.0 2.2 1.0
assign (resid 117 and name HN )(resid 116 and name HB2 ) 3.0 1.2 0.3
assign (resid 117 and name HN )(resid 116 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 117 and name HN )(resid 116 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 117 and name HA )(resid 118 and name HD1 ) 3.0 2.2 1.3 !#
assign (resid 117 and name HA )(resid 118 and name HD2 ) 3.0 2.2 1.3 !#
assign (resid 117 and name HE2 )(resid 116 and name HB1 ) 4.0 2.2 1.0
assign (resid 117 and name HD2 )(resid 134 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 117 and name HD2 )(resid 134 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 117 and name HD2 )(resid 71 and name HB1 ) 3.0 1.2 0.3
assign (resid 117 and name HD# )(resid 78 and name HG# ) 4.0 5.2 4.0 ! !#
assign (resid 117 and name HD2 )(resid 78 and name HB1 ) 4.0 2.2 1.0
assign (resid 117 and name HD2 )(resid 78 and name HB2 ) 4.0 2.2 1.0
assign (resid 117 and name HE2 )(resid 72 and name HA ) 3.0 1.2 0.3
assign (resid 117 and name HE1 )(resid 73 and name HG ) 4.0 2.2 1.0
assign (resid 117 and name HE1 )(resid 73 and name HD* ) 4.0 4.6 3.4 !#
assign (resid 117 and name HE2 )(resid 71 and name HB1 ) 4.0 2.2 1.0
assign (resid 117 and name HE2 )(resid 71 and name HB2 ) 4.0 2.2 1.0
assign (resid 117 and name HE1 )(resid 78 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 117 and name HZ )(resid 73 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 117 and name HZ )(resid 73 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 117 and name HZ )(resid 73 and name HG ) 3.0 1.2 0.3
assign (resid 117 and name HZ )(resid 73 and name HB# ) 4.0 3.2 2.0 !#
!Pro-118
assign (resid 118 and name HA )(resid 118 and name HB1 ) 2.5 0.7 0.2
assign (resid 118 and name HA )(resid 118 and name HB2 ) 4.0 2.2 1.0
assign (resid 118 and name HA )(resid 118 and name HG# ) 3.0 1.8 0.9 !#
assign (resid 118 and name HD1 )(resid 118 and name HG1 ) 3.0 3.2 2.3 ! !#
assign (resid 118 and name HD2 )(resid 118 and name HG1 ) 3.0 3.2 2.3 ! !#
assign (resid 118 and name HD1 )(resid 118 and name HG2 ) 3.0 3.2 2.3 ! !#
assign (resid 118 and name HD2 )(resid 118 and name HG2 ) 3.0 3.2 2.3 ! !#
!Asn-119
assign (resid 119 and name HN )(resid 119 and name HA ) 2.5 0.7 0.2
assign (resid 119 and name HN )(resid 119 and name HB1 ) 4.0 2.2 1.0
assign (resid 119 and name HN )(resid 119 and name HB2 ) 4.0 2.2 1.0
assign (resid 119 and name HA )(resid 119 and name HB2 ) 4.0 2.2 1.0
assign (resid 119 and name HA )(resid 119 and name HB1 ) 2.5 0.7 0.2
assign (resid 119 and name HD21 )(resid 119 and name HB1 ) 3.0 2.2 0.5 !
assign (resid 119 and name HD21 )(resid 119 and name HB2 ) 3.0 2.2 0.5 !
assign (resid 119 and name HN )(resid 120 and name HN ) 2.5 0.7 0.2
assign (resid 119 and name HN )(resid 121 and name HE2 ) 4.0 2.2 1.0
assign (resid 119 and name HN )(resid 118 and name HA ) 2.5 0.7 0.2
assign (resid 119 and name HN )(resid 118 and name HB1 ) 3.0 1.2 0.5
assign (resid 119 and name HN )(resid 118 and name HB2 ) 4.0 2.2 1.0
assign (resid 119 and name HN )(resid 113 and name HB# ) 3.0 2.2 1.5 !#
!Trp-120
assign (resid 120 and name HN )(resid 120 and name HD1 ) 2.5 0.7 0.2
assign (resid 120 and name HN )(resid 120 and name HA ) 4.0 2.2 1.0
assign (resid 120 and name HN )(resid 120 and name HB2 ) 2.5 0.7 0.2
assign (resid 120 and name HN )(resid 120 and name HB1 ) 4.0 2.2 1.0
assign (resid 120 and name HD1 )(resid 120 and name HB1 ) 4.0 2.2 1.0
assign (resid 120 and name HD1 )(resid 120 and name HB2 ) 4.0 2.2 1.0
assign (resid 120 and name HN )(resid 121 and name HN ) 4.0 2.2 1.0
assign (resid 120 and name HN )(resid 118 and name HA ) 3.0 1.2 0.5
assign (resid 120 and name HN )(resid 119 and name HA ) 3.0 1.2 0.5
assign (resid 120 and name HN )(resid 119 and name HB2 ) 4.0 2.2 1.0
assign (resid 120 and name HN )(resid 117 and name HB1 ) 4.0 2.2 1.0
assign (resid 120 and name HN )(resid 117 and name HB2 ) 4.0 2.2 1.0
assign (resid 120 and name HN )(resid 118 and name HB1 ) 4.0 2.2 1.0
assign (resid 120 and name HN )(resid 118 and name HB2 ) 4.0 2.2 1.0
assign (resid 120 and name HE1 )(resid 117 and name HB1 ) 4.0 2.2 1.0
assign (resid 120 and name HE1 )(resid 117 and name HB2 ) 4.0 2.2 1.0
assign (resid 120 and name HD1 )(resid 117 and name HB1 ) 3.0 1.2 0.3
assign (resid 120 and name HD1 )(resid 117 and name HB2 ) 3.0 1.2 0.3
assign (resid 120 and name HD1 )(resid 119 and name HB1 ) 4.0 2.2 1.0
assign (resid 120 and name HN )(resid 113 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 120 and name HA )(resid 136 and name HA1 ) 4.0 2.2 1.0 !#
assign (resid 120 and name HZ2 )(resid 78 and name HD1 ) 4.0 3.2 2.0 !#
assign (resid 120 and name HZ2 )(resid 78 and name HD2 ) 4.0 3.2 2.0 !#
assign (resid 120 and name HH2 )(resid 77 and name HE# ) 4.0 3.2 2.0 !#
assign (resid 120 and name HH2 )(resid 77 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 120 and name HH2 )(resid 77 and name HD# ) 4.0 3.2 2.0 !#
assign (resid 120 and name HH2 )(resid 78 and name HD# ) 4.0 3.2 2.0 !#
assign (resid 120 and name HZ3 )(resid 77 and name HE# ) 4.0 3.2 2.0 !#
assign (resid 120 and name HZ3 )(resid 135 and name HA1 ) 4.0 2.2 1.0 !#
assign (resid 120 and name HZ3 )(resid 135 and name HA2 ) 4.0 2.2 1.0 !#
assign (resid 120 and name HZ3 )(resid 134 and name HG ) 4.0 2.2 1.0
assign (resid 120 and name HZ3 )(resid 134 and name HB1 ) 4.0 2.2 1.0
assign (resid 120 and name HE3 )(resid 135 and name HA2 ) 3.0 1.2 0.3 !#
assign (resid 120 and name HE3 )(resid 135 and name HA1 ) 4.0 2.2 1.0 !#
assign (resid 120 and name HE3 )(resid 134 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 120 and name HE3 )(resid 134 and name HD2# ) 3.0 2.7 1.8 !#
assign (resid 120 and name HE3 )(resid 134 and name HG ) 3.0 1.2 0.3
assign (resid 120 and name HE3 )(resid 136 and name HA1 ) 4.0 2.2 1.0 !#
assign (resid 120 and name HE3 )(resid 78 and name HB2 ) 3.0 1.2 0.3
assign (resid 120 and name HE3 )(resid 78 and name HB1 ) 4.0 2.2 1.0
assign (resid 120 and name HE1 )(resid 78 and name HG# ) 4.0 3.2 2.0 !#
!Tyr-121
assign (resid 121 and name HN )(resid 121 and name HD2 ) 3.0 1.2 0.5
assign (resid 121 and name HN )(resid 121 and name HA ) 4.0 2.2 1.0
assign (resid 121 and name HN )(resid 121 and name HB1 ) 4.0 2.2 1.0
assign (resid 121 and name HN )(resid 121 and name HB2 ) 3.0 1.2 0.5
assign (resid 121 and name HA )(resid 121 and name HB1 ) 3.0 1.2 0.3
assign (resid 121 and name HA )(resid 121 and name HB2 ) 4.0 2.2 1.0
assign (resid 121 and name HD1 )(resid 121 and name HA ) 4.0 2.2 1.0
assign (resid 121 and name HD2 )(resid 121 and name HA ) 4.0 2.2 1.0
assign (resid 121 and name HD1 )(resid 121 and name HB1 ) 3.0 1.2 0.3
assign (resid 121 and name HD2 )(resid 121 and name HB2 ) 4.0 2.2 1.0
assign (resid 121 and name HN )(resid 120 and name HB2 ) 4.0 2.2 1.0
assign (resid 121 and name HN )(resid 120 and name HB1 ) 3.0 1.2 0.5
assign (resid 121 and name HN )(resid 120 and name HA ) 2.5 0.7 0.2
assign (resid 121 and name HD2 )(resid 120 and name HA ) 4.0 2.2 1.0
assign (resid 121 and name HD2 )(resid 119 and name HA ) 4.0 2.2 1.0
assign (resid 121 and name HE2 )(resid 120 and name HA ) 4.0 2.2 1.0
assign (resid 121 and name HE2 )(resid 119 and name HA ) 2.5 0.7 0.2
assign (resid 121 and name HE2 )(resid 119 and name HB2 ) 4.0 2.2 1.0
assign (resid 121 and name HE2 )(resid 119 and name HB1 ) 4.0 2.2 1.0
assign (resid 121 and name HN )(resid 134 and name HA ) 4.0 2.2 1.0
assign (resid 121 and name HN )(resid 136 and name HA2 ) 4.0 2.2 1.0 !#
assign (resid 121 and name HN )(resid 134 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 121 and name HN )(resid 134 and name HG ) 4.0 2.2 1.0
assign (resid 121 and name HD1 )(resid 113 and name HA ) 4.0 2.2 1.0
assign (resid 121 and name HD2 )(resid 136 and name HA2 ) 4.0 2.2 1.0 !#
assign (resid 121 and name HD2 )(resid 144 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 121 and name HD# )(resid 113 and name HG# ) 4.0 5.2 4.0 ! !#
assign (resid 121 and name HD2 )(resid 138 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 121 and name HD2 )(resid 138 and name HA ) 4.0 2.2 1.0
assign (resid 121 and name HD2 )(resid 138 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 121 and name HD1 )(resid 111 and name HA ) 4.0 2.2 1.0
assign (resid 121 and name HD1 )(resid 144 and name HB ) 4.0 2.2 1.0
assign (resid 121 and name HD1 )(resid 111 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 121 and name HD1 )(resid 104 and name HD# ) 4.0 3.7 2.5 !#
assign (resid 121 and name HE1 )(resid 104 and name HD# ) 2.5 2.2 1.7 !#
assign (resid 121 and name HE1 )(resid 104 and name HG1# ) 4.0 3.2 2.0 !#
assign (resid 121 and name HE1 )(resid 111 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 121 and name HE2 )(resid 138 and name HG# ) 4.0 3.2 2.0 !#
!Ile-122
assign (resid 122 and name HN )(resid 122 and name HA ) 3.0 1.2 0.5
assign (resid 122 and name HN )(resid 122 and name HB ) 2.5 0.7 0.2
assign (resid 122 and name HN )(resid 122 and name HD# ) 4.0 3.7 2.5 !#
assign (resid 122 and name HN )(resid 122 and name HG1# ) 3.0 2.2 1.5 !#
assign (resid 122 and name HN )(resid 122 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 122 and name HA )(resid 122 and name HB ) 4.0 2.2 1.0
assign (resid 122 and name HA )(resid 122 and name HG1# ) 4.0 2.8 1.6 !#
assign (resid 122 and name HA )(resid 122 and name HD# ) 4.0 3.7 2.5 !#
assign (resid 122 and name HA )(resid 122 and name HG2# ) 3.0 2.3 1.4 !#
assign (resid 122 and name HD# )(resid 122 and name HG11 ) 3.0 3.7 2.8 ! !#
assign (resid 122 and name HD# )(resid 122 and name HG12 ) 3.0 3.7 2.8 ! !#
assign (resid 122 and name HD# )(resid 122 and name HB ) 3.0 2.7 1.8 !
assign (resid 122 and name HG2# )(resid 122 and name HD# ) 2.5 3.7 3.2 ! !#
assign (resid 122 and name HG2# )(resid 122 and name HG1# ) 4.0 4.7 3.5 ! !#

assign (resid 122 and name HN )(resid 123 and name HN ) 4.0 2.2 1.0
assign (resid 122 and name HN )(resid 121 and name HD2 ) 4.0 2.2 1.0
assign (resid 122 and name HN )(resid 121 and name HA ) 2.5 0.7 0.2
assign (resid 122 and name HN )(resid 121 and name HB1 ) 4.0 2.2 1.0
assign (resid 122 and name HN )(resid 121 and name HB2 ) 4.0 2.2 1.0
assign (resid 122 and name HN )(resid 134 and name HD1# ) 3.0 2.7 2.0 !#
assign (resid 122 and name HA )(resid 80 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 122 and name HA )(resid 80 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 122 and name HA )(resid 134 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 122 and name HA )(resid 134 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 122 and name HA )(resid 134 and name HA ) 3.0 1.2 0.3
assign (resid 122 and name HD# )(resid 80 and name HD1# ) 4.0 5.2 4.0 ! !#
assign (resid 122 and name HD# )(resid 80 and name HD2# ) 4.0 5.2 4.0 ! !#
assign (resid 122 and name HD# )(resid 69 and name HD# ) 3.0 5.1 4.2 ! !#
assign (resid 122 and name HD# )(resid 60 and name HD2# ) 4.0 5.2 4.0 ! !#
assign (resid 122 and name HD# )(resid 112 and name HB1 ) 3.0 2.7 1.8 !
assign (resid 122 and name HD# )(resid 112 and name HB2 ) 3.0 2.7 1.8 !
assign (resid 122 and name HD# )(resid 101 and name HB# ) 4.0 4.7 3.5 ! !#
assign (resid 122 and name HG2# )(resid 80 and name HD1# ) 4.0 5.2 4.0 ! !#
assign (resid 122 and name HG2# )(resid 80 and name HD2# ) 4.0 5.2 4.0 ! !#
assign (resid 122 and name HG2# )(resid 69 and name HD# ) 4.0 6.1 4.9 ! !#
!Ser-123
assign (resid 123 and name HN )(resid 123 and name HA ) 4.0 2.2 1.0
assign (resid 123 and name HN )(resid 123 and name HB1 ) 4.0 2.2 1.0
assign (resid 123 and name HN )(resid 123 and name HB2 ) 3.0 1.2 0.5
assign (resid 123 and name HA )(resid 123 and name HB1 ) 3.0 1.2 0.3
assign (resid 123 and name HA )(resid 123 and name HB2 ) 4.0 2.2 1.0
assign (resid 123 and name HN )(resid 122 and name HD# ) 4.0 3.7 2.5 !#
assign (resid 123 and name HN )(resid 122 and name HB ) 4.0 2.2 1.0
assign (resid 123 and name HN )(resid 122 and name HG2# ) 2.5 2.2 1.7 !#
assign (resid 123 and name HN )(resid 122 and name HG1# ) 4.0 3.2 2.0 !#
assign (resid 123 and name HN )(resid 133 and name HN ) 3.0 1.2 0.5
assign (resid 123 and name HN )(resid 134 and name HA ) 4.0 2.2 1.0
assign (resid 123 and name HN )(resid 134 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 123 and name HA )(resid 144 and name HA ) 4.0 2.2 1.0
!Thr-124
assign (resid 124 and name HA )(resid 124 and name HB ) 2.5 0.7 0.2
assign (resid 124 and name HA )(resid 124 and name HG2# ) 2.5 1.8 1.3 !#
assign (resid 124 and name HN )(resid 123 and name HA ) 4.0 2.2 1.0
assign (resid 124 and name HA )(resid 132 and name HG* ) 4.0 4.6 3.4 !#
assign (resid 124 and name HB )(resid 28 and name HB# ) 2.5 2.2 1.7 !#
assign (resid 124 and name HB )(resid 132 and name HG* ) 4.0 4.6 3.4 !#
assign (resid 124 and name HB )(resid 12 and name HB2 ) 4.0 2.2 1.0
assign (resid 124 and name HB )(resid 16 and name HE# ) 4.0 3.2 2.0 !#
assign (resid 124 and name HG2# )(resid 12 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 124 and name HG2# )(resid 12 and name HB2 ) 4.0 3.7 2.5 !
assign (resid 124 and name HG2# )(resid 18 and name HD1# ) 2.5 3.7 3.2 ! !#
assign (resid 124 and name HG2# )(resid 18 and name HD2# ) 4.0 5.2 4.0 ! !#
!Ser-125
assign (resid 125 and name HN )(resid 125 and name HB2 ) 3.0 1.2 0.5
assign (resid 125 and name HN )(resid 125 and name HB1 ) 3.0 1.2 0.5
assign (resid 125 and name HA )(resid 125 and name HB2 ) 2.5 0.7 0.2
assign (resid 125 and name HA )(resid 125 and name HB1 ) 4.0 2.2 1.0
assign (resid 125 and name HB2 )(resid 130 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 125 and name HB2 )(resid 130 and name HB2 ) 4.0 2.2 1.0
assign (resid 125 and name HB2 )(resid 130 and name HB1 ) 3.0 1.2 0.3
assign (resid 125 and name HB1 )(resid 130 and name HG# ) 3.0 2.2 1.3 !#
assign (resid 125 and name HB1 )(resid 130 and name HB2 ) 3.0 1.2 0.3
assign (resid 125 and name HB1 )(resid 130 and name HB1 ) 3.0 1.2 0.3
assign (resid 125 and name HN )(resid 124 and name HA ) 2.5 0.7 0.2
assign (resid 125 and name HN )(resid 124 and name HB ) 2.5 0.7 0.2
assign (resid 125 and name HN )(resid 124 and name HG2# ) 3.0 2.7 2.0 !#
assign (resid 125 and name HN )(resid 133 and name HE2 ) 4.0 2.2 1.0
!Gln-126
assign (resid 126 and name HN )(resid 126 and name HA ) 4.0 2.2 1.0
assign (resid 126 and name HN )(resid 126 and name HB2 ) 4.0 2.2 1.0
assign (resid 126 and name HN )(resid 126 and name HB1 ) 2.5 0.7 0.2
assign (resid 126 and name HN )(resid 126 and name HG# ) 3.0 2.2 1.5 !#
assign (resid 126 and name HA )(resid 126 and name HB2 ) 3.0 1.2 0.3
assign (resid 126 and name HA )(resid 126 and name HB1 ) 4.0 2.2 1.0
assign (resid 126 and name HA )(resid 126 and name HG# ) 4.0 2.8 1.6 !#
assign (resid 126 and name HN )(resid 127 and name HN ) 2.5 0.7 0.2
assign (resid 126 and name HN )(resid 125 and name HA ) 2.5 0.7 0.2
assign (resid 126 and name HN )(resid 125 and name HB1 ) 4.0 2.2 1.0
assign (resid 126 and name HN )(resid 127 and name HB# ) 4.0 3.7 2.5 !#
assign (resid 126 and name HN )(resid 143 and name HD# ) 4.0 3.7 2.5 !#
assign (resid 126 and name HA )(resid 143 and name HD# ) 2.5 2.2 1.7 !#
assign (resid 126 and name HE21 )(resid 143 and name HD# ) 4.0 4.7 2.5 ! !#
assign (resid 126 and name HE21 )(resid 143 and name HG1# ) 4.0 4.2 2.0 ! !#

assign (resid 126 and name HE22 )(resid 143 and name HD# ) 4.0 4.7 2.5 ! !#
assign (resid 126 and name HE22 )(resid 143 and name HG1# ) 4.0 4.2 2.0 ! !#

!Ala-127
assign (resid 127 and name HN )(resid 127 and name HA ) 2.5 0.7 0.2
assign (resid 127 and name HN )(resid 127 and name HB# ) 2.5 1.8 1.3 !#
assign (resid 127 and name HN )(resid 128 and name HN ) 4.0 2.2 1.0
assign (resid 127 and name HN )(resid 126 and name HB2 ) 4.0 2.2 1.0
assign (resid 127 and name HN )(resid 126 and name HB1 ) 2.5 0.7 0.2
assign (resid 127 and name HN )(resid 126 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 127 and name HN )(resid 125 and name HA ) 3.0 1.2 0.5
assign (resid 127 and name HN )(resid 126 and name HA ) 3.0 1.2 0.5
assign (resid 127 and name HN )(resid 126 and name HB1 ) 3.0 1.2 0.5
assign (resid 127 and name HB# )(resid 130 and name HG1 ) 3.0 3.7 2.8 ! !#
assign (resid 127 and name HB# )(resid 130 and name HG2 ) 3.0 3.7 2.8 ! !#
assign (resid 127 and name HB# )(resid 130 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 127 and name HB# )(resid 130 and name HB2 ) 3.0 2.7 1.8 !
!Glu-128
assign (resid 128 and name HN )(resid 128 and name HA ) 4.0 2.2 1.0
assign (resid 128 and name HN )(resid 128 and name HB1 ) 3.0 1.2 0.5
assign (resid 128 and name HN )(resid 128 and name HB2 ) 2.5 0.7 0.2
assign (resid 128 and name HN )(resid 128 and name HG# ) 2.5 1.7 1.2 !#
assign (resid 128 and name HA )(resid 128 and name HB1 ) 2.5 0.7 0.2
assign (resid 128 and name HA )(resid 128 and name HB2 ) 4.0 2.2 1.0
assign (resid 128 and name HA )(resid 128 and name HG# ) 4.0 2.8 1.6 !#
assign (resid 128 and name HN )(resid 129 and name HN ) 4.0 2.2 1.0
assign (resid 128 and name HN )(resid 127 and name HA ) 2.5 0.7 0.2
assign (resid 128 and name HN )(resid 127 and name HB# ) 4.0 3.7 2.5 !#
assign (resid 128 and name HA )(resid 16 and name HE# ) 4.0 3.2 2.0 !#
assign (resid 128 and name HA )(resid 16 and name HD# ) 4.0 3.2 2.0 !#
!Asn-129
assign (resid 129 and name HN )(resid 129 and name HA ) 2.5 0.7 0.2
assign (resid 129 and name HN )(resid 129 and name HB# ) 3.0 1.8 1.1 !#
assign (resid 129 and name HA )(resid 129 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 129 and name HD21 )(resid 129 and name HB1 ) 3.0 2.2 0.5 !
assign (resid 129 and name HD21 )(resid 129 and name HB2 ) 3.0 2.2 0.5 !
assign (resid 129 and name HD22 )(resid 129 and name HB1 ) 4.0 3.2 1.0 !
assign (resid 129 and name HD22 )(resid 129 and name HB2 ) 4.0 3.2 1.0 !
assign (resid 129 and name HN )(resid 130 and name HN ) 3.0 1.2 0.5
assign (resid 129 and name HN )(resid 128 and name HA ) 2.5 0.7 0.2
assign (resid 129 and name HN )(resid 127 and name HB# ) 4.0 3.7 2.5 !#
assign (resid 129 and name HN )(resid 128 and name HB1 ) 4.0 2.2 1.0
assign (resid 129 and name HN )(resid 30 and name HN ) 4.0 2.2 1.0
assign (resid 129 and name HN )(resid 29 and name HA ) 4.0 2.2 1.0
assign (resid 129 and name HN )(resid 29 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 129 and name HN )(resid 29 and name HB1 ) 3.0 1.2 0.5
assign (resid 129 and name HN )(resid 29 and name HB2 ) 3.0 1.2 0.5
assign (resid 129 and name HA )(resid 27 and name HD# ) 3.0 2.2 1.3 !#
assign (resid 129 and name HA )(resid 27 and name HB1 ) 4.0 2.2 1.0
assign (resid 129 and name HA )(resid 27 and name HB2 ) 4.0 2.2 1.0
assign (resid 129 and name HD21 )(resid 29 and name HD2# ) 4.0 4.7 2.5 ! !#
assign (resid 129 and name HD22 )(resid 29 and name HD2# ) 4.0 4.7 2.5 ! !#
!Met-130
assign (resid 130 and name HN )(resid 130 and name HA ) 4.0 2.2 1.0
assign (resid 130 and name HN )(resid 130 and name HB1 ) 3.0 1.2 0.5
assign (resid 130 and name HN )(resid 130 and name HB2 ) 4.0 2.2 1.0
assign (resid 130 and name HN )(resid 130 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 130 and name HA )(resid 130 and name HB2 ) 2.5 0.7 0.2
assign (resid 130 and name HA )(resid 130 and name HB1 ) 4.0 2.2 1.0
assign (resid 130 and name HA )(resid 130 and name HG# ) 4.0 2.8 1.6 !#
assign (resid 130 and name HN )(resid 129 and name HA ) 4.0 2.2 1.0
assign (resid 130 and name HN )(resid 127 and name HB# ) 4.0 3.7 2.5 !#
assign (resid 130 and name HA )(resid 131 and name HD1 ) 3.0 2.2 1.3 !#
assign (resid 130 and name HA )(resid 131 and name HD2 ) 3.0 2.2 1.3 !#
!Pro-131
assign (resid 131 and name HA )(resid 131 and name HB1 ) 2.5 0.7 0.2
assign (resid 131 and name HA )(resid 131 and name HB2 ) 4.0 2.2 1.0
assign (resid 131 and name HD1 )(resid 131 and name HG# ) 2.5 2.7 2.2 ! !#
assign (resid 131 and name HD2 )(resid 131 and name HG# ) 2.5 2.7 2.2 ! !#
assign (resid 131 and name HD1 )(resid 131 and name HB1 ) 4.0 3.2 2.0 !
assign (resid 131 and name HD1 )(resid 131 and name HB2 ) 3.0 2.2 1.3 !
assign (resid 131 and name HD2 )(resid 131 and name HB1 ) 4.0 3.2 2.0 !
assign (resid 131 and name HD2 )(resid 131 and name HB2 ) 3.0 2.2 1.3 !
assign (resid 131 and name HA )(resid 131 and name HG# ) 3.0 1.8 0.9 !#
assign (resid 131 and name HA )(resid 132 and name HG* ) 4.0 4.6 3.4 !#
assign (resid 131 and name HA )(resid 27 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 131 and name HA )(resid 27 and name HD# ) 4.0 3.2 2.0 !#
assign (resid 131 and name HA )(resid 27 and name HA ) 2.5 0.7 0.2
assign (resid 131 and name HG# )(resid 27 and name HE# ) 4.0 4.2 3.0 ! !#
assign (resid 131 and name HB1 )(resid 25 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 131 and name HB2 )(resid 25 and name HG# ) 4.0 3.2 2.0 !#
!Val-132
assign (resid 132 and name HN )(resid 132 and name HA ) 4.0 2.2 1.0
assign (resid 132 and name HN )(resid 132 and name HB ) 2.5 0.7 0.2
assign (resid 132 and name HN )(resid 132 and name HG* ) 2.5 2.4 1.9 !#
assign (resid 132 and name HA )(resid 132 and name HB ) 4.0 2.2 1.0
assign (resid 132 and name HA )(resid 132 and name HG* ) 2.5 1.3 0.8 !#
assign (resid 132 and name HN )(resid 131 and name HA ) 2.5 0.7 0.2
assign (resid 132 and name HN )(resid 131 and name HB1 ) 4.0 2.2 1.0
assign (resid 132 and name HN )(resid 131 and name HB2 ) 4.0 2.2 1.0
assign (resid 132 and name HN )(resid 27 and name HA ) 3.0 1.2 0.5
assign (resid 132 and name HN )(resid 26 and name HB1 ) 4.0 2.2 1.0
assign (resid 132 and name HN )(resid 26 and name HB1 ) 4.0 2.2 1.0
assign (resid 132 and name HA )(resid 124 and name HA ) 4.0 2.2 1.0
assign (resid 132 and name HA )(resid 124 and name HG2# ) 3.0 2.7 1.8 !#
assign (resid 132 and name HG* )(resid 80 and name HD1# ) 3.0 5.1 4.2 ! !#
assign (resid 132 and name HG* )(resid 26 and name HB1 ) 4.0 4.6 3.4 !
assign (resid 132 and name HG* )(resid 26 and name HB2 ) 4.0 4.6 3.4 !
!Phe-133
assign (resid 133 and name HN )(resid 133 and name HD2 ) 2.5 0.7 0.2
assign (resid 133 and name HN )(resid 133 and name HA ) 4.0 2.2 1.0
assign (resid 133 and name HN )(resid 133 and name HB2 ) 4.0 2.2 1.0
assign (resid 133 and name HN )(resid 133 and name HB1 ) 3.0 1.2 0.5
assign (resid 133 and name HA )(resid 133 and name HB1 ) 2.5 0.7 0.2
assign (resid 133 and name HA )(resid 133 and name HB2 ) 2.5 0.7 0.2
assign (resid 133 and name HD2 )(resid 133 and name HB1 ) 2.5 0.7 0.2
assign (resid 133 and name HD1 )(resid 133 and name HB2 ) 2.5 0.7 0.2
assign (resid 133 and name HD1 )(resid 133 and name HA ) 4.0 2.2 1.0
assign (resid 133 and name HD2 )(resid 133 and name HA ) 4.0 2.2 1.0
assign (resid 133 and name HN )(resid 134 and name HN ) 4.0 2.2 1.0
assign (resid 133 and name HN )(resid 132 and name HB ) 4.0 2.2 1.0
assign (resid 133 and name HN )(resid 132 and name HG1# ) 2.5 2.2 1.7 !#
assign (resid 133 and name HN )(resid 132 and name HA ) 2.5 0.7 0.2
assign (resid 133 and name HA )(resid 132 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 133 and name HD2 )(resid 132 and name HA ) 3.0 1.2 0.3
assign (resid 133 and name HD2 )(resid 132 and name HG* ) 4.0 4.6 3.4 !#
assign (resid 133 and name HD1 )(resid 135 and name HA1 ) 4.0 2.2 1.0 !#
assign (resid 133 and name HD1 )(resid 135 and name HA2 ) 3.0 1.2 0.3 !#
assign (resid 133 and name HB2 )(resid 134 and name HB2 ) 4.0 2.2 1.0
assign (resid 133 and name HE1 )(resid 135 and name HA1 ) 3.0 1.2 0.3 !#
assign (resid 133 and name HE1 )(resid 135 and name HA2 ) 3.0 1.2 0.3 !#
assign (resid 133 and name HN )(resid 124 and name HA ) 4.0 2.2 1.0
assign (resid 133 and name HN )(resid 122 and name HA ) 4.0 2.2 1.0
assign (resid 133 and name HN )(resid 122 and name HG2# ) 3.0 2.7 2.0 !#
assign (resid 133 and name HA )(resid 80 and name HB1 ) 3.0 1.2 0.3
assign (resid 133 and name HA )(resid 80 and name HB2 ) 3.0 1.2 0.3
assign (resid 133 and name HA )(resid 80 and name HD2# ) 2.5 2.2 1.7 !#
assign (resid 133 and name HD2 )(resid 124 and name HA ) 4.0 2.2 1.0
assign (resid 133 and name HD# )(resid 123 and name HB1 ) 4.0 4.2 3.0 !
assign (resid 133 and name HD# )(resid 123 and name HB2 ) 4.0 4.2 3.0 !
assign (resid 133 and name HB1 )(resid 80 and name HB2 ) 4.0 2.2 1.0
assign (resid 133 and name HE2 )(resid 125 and name HA ) 4.0 2.2 1.0
assign (resid 133 and name HE# )(resid 123 and name HB1 ) 4.0 4.2 3.0 !
assign (resid 133 and name HE# )(resid 123 and name HB2 ) 4.0 4.2 3.0 !
assign (resid 133 and name HE2 )(resid 124 and name HA ) 4.0 2.2 1.0
assign (resid 133 and name HE2 )(resid 125 and name HB1 ) 4.0 2.2 1.0
assign (resid 133 and name HE2 )(resid 125 and name HB2 ) 4.0 2.2 1.0
assign (resid 133 and name HE2 )(resid 124 and name HB ) 4.0 2.2 1.0
assign (resid 133 and name HZ )(resid 142 and name HB# ) 3.0 2.2 1.3 !#
assign (resid 133 and name HZ )(resid 123 and name HB2 ) 3.0 1.2 0.3
!Leu-134
assign (resid 134 and name HN )(resid 134 and name HB2 ) 4.0 2.2 1.0
assign (resid 134 and name HN )(resid 134 and name HB1 ) 2.5 0.7 0.2
assign (resid 134 and name HN )(resid 134 and name HG ) 4.0 2.2 1.0
assign (resid 134 and name HN )(resid 134 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 134 and name HN )(resid 134 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 134 and name HA )(resid 134 and name HB2 ) 2.5 0.7 0.2
assign (resid 134 and name HA )(resid 134 and name HB1 ) 4.0 2.2 1.0
assign (resid 134 and name HA )(resid 134 and name HD1# ) 3.0 2.7 1.8 !#
assign (resid 134 and name HA )(resid 134 and name HD2# ) 2.5 2.2 1.7 !#
assign (resid 134 and name HD1# )(resid 134 and name HB2 ) 3.0 2.7 1.8 !
assign (resid 134 and name HD1# )(resid 134 and name HB1 ) 3.0 2.7 1.8 !
assign (resid 134 and name HN )(resid 133 and name HD1 ) 3.0 1.2 0.5
assign (resid 134 and name HN )(resid 133 and name HB2 ) 2.5 0.7 0.2
assign (resid 134 and name HN )(resid 133 and name HB1 ) 3.0 1.2 0.5
assign (resid 134 and name HN )(resid 80 and name HN ) 4.0 2.2 1.0
assign (resid 134 and name HA )(resid 122 and name HG1# ) 4.0 3.2 2.0 !#
assign (resid 134 and name HD2# )(resid 80 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 134 and name HD2# )(resid 80 and name HB2 ) 3.0 2.7 1.8 !
!Gly-135
assign (resid 135 and name HN )(resid 135 and name HA1 ) 2.5 0.7 0.2 !#
assign (resid 135 and name HN )(resid 135 and name HA2 ) 3.0 1.2 0.5 !#
assign (resid 135 and name HN )(resid 133 and name HD1 ) 4.0 2.2 1.0
assign (resid 135 and name HN )(resid 133 and name HE1 ) 4.0 2.2 1.0
assign (resid 135 and name HN )(resid 134 and name HA ) 2.5 0.7 0.2
assign (resid 135 and name HN )(resid 134 and name HB1 ) 4.0 2.2 1.0
assign (resid 135 and name HN )(resid 134 and name HG ) 4.0 2.2 1.0
assign (resid 135 and name HN )(resid 134 and name HD1# ) 3.0 2.7 2.0 !#
assign (resid 135 and name HN )(resid 134 and name HD2# ) 3.0 2.7 2.0 !#
assign (resid 135 and name HN )(resid 123 and name HN ) 4.0 2.2 1.0
assign (resid 135 and name HN )(resid 122 and name HA ) 4.0 2.2 1.0
!Gly-136
assign (resid 136 and name HN )(resid 135 and name HA1 ) 3.0 1.2 0.3 !#
assign (resid 136 and name HN )(resid 135 and name HA2 ) 2.5 0.7 0.2 !#
assign (resid 136 and name HN )(resid 137 and name HN ) 3.0 1.2 0.5
assign (resid 136 and name HN )(resid 133 and name HE1 ) 4.0 2.2 1.0
assign (resid 136 and name HN )(resid 136 and name HA1 ) 2.5 0.7 0.2 !#
assign (resid 136 and name HN )(resid 136 and name HA2 ) 3.0 1.2 0.5 !#
assign (resid 136 and name HA1 )(resid 137 and name HG2# ) 4.0 3.7 2.5 ! !#
assign (resid 136 and name HA2 )(resid 137 and name HG2# ) 4.0 3.7 2.5 ! !#
!Thr-137
assign (resid 137 and name HN )(resid 137 and name HA ) 3.0 1.2 0.5
assign (resid 137 and name HN )(resid 137 and name HB ) 3.0 1.2 0.5
assign (resid 137 and name HN )(resid 137 and name HG2# ) 3.0 2.7 2.0 !#
assign (resid 137 and name HB )(resid 137 and name HA ) 3.0 1.2 0.3
assign (resid 137 and name HA )(resid 137 and name HG2# ) 3.0 2.3 1.4 !#
assign (resid 137 and name HN )(resid 136 and name HA1 ) 3.0 1.2 0.5 !#
assign (resid 137 and name HN )(resid 136 and name HA2 ) 3.0 1.2 0.5 !#
assign (resid 137 and name HN )(resid 135 and name HA1 ) 3.0 1.2 0.5 !#
assign (resid 137 and name HN )(resid 135 and name HA2 ) 4.0 2.2 1.0 !#
assign (resid 137 and name HN )(resid 138 and name HN ) 4.0 2.2 1.0
!Lys-138
assign (resid 138 and name HN )(resid 138 and name HB# ) 3.0 1.8 1.1 !#
assign (resid 138 and name HN )(resid 138 and name HG# ) 3.0 2.2 1.5 !#
assign (resid 138 and name HA )(resid 138 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 138 and name HA )(resid 138 and name HG# ) 4.0 2.8 1.6 !#
assign (resid 138 and name HN )(resid 139 and name HN ) 4.0 2.2 1.0
assign (resid 138 and name HN )(resid 137 and name HA ) 2.5 0.7 0.2
assign (resid 138 and name HN )(resid 137 and name HB ) 4.0 2.2 1.0
assign (resid 138 and name HN )(resid 137 and name HG2# ) 3.0 2.7 2.0 !#
assign (resid 138 and name HA )(resid 144 and name HG2# ) 3.0 2.7 1.8 !#
!Gly-139
assign (resid 139 and name HN )(resid 139 and name HA2 ) 2.5 0.7 0.2 !#
assign (resid 139 and name HN )(resid 139 and name HA1 ) 3.0 1.2 0.5 !#
assign (resid 139 and name HN )(resid 140 and name HN ) 4.0 2.2 1.0
assign (resid 139 and name HN )(resid 138 and name HA ) 2.5 0.7 0.2
assign (resid 139 and name HN )(resid 138 and name HB# ) 3.0 2.2 1.5 !#
assign (resid 139 and name HN )(resid 138 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 139 and name HN )(resid 137 and name HG2# ) 4.0 3.7 2.5 !#
!Gly-140
assign (resid 140 and name HN )(resid 140 and name HA2 ) 2.5 0.7 0.2 !#
assign (resid 140 and name HN )(resid 140 and name HA1 ) 2.5 0.7 0.2 !#
assign (resid 140 and name HN )(resid 141 and name HN ) 4.0 2.2 1.0
assign (resid 140 and name HN )(resid 139 and name HA1 ) 3.0 1.2 0.5 !#
assign (resid 140 and name HN )(resid 139 and name HA2 ) 3.0 1.2 0.5 !#
!Gln-141
assign (resid 141 and name HN )(resid 141 and name HB2 ) 3.0 1.2 0.5
assign (resid 141 and name HN )(resid 141 and name HB1 ) 3.0 1.2 0.5
assign (resid 141 and name HN )(resid 141 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 141 and name HA )(resid 141 and name HB2 ) 2.5 0.7 0.2
assign (resid 141 and name HA )(resid 141 and name HB1 ) 4.0 2.2 1.0
assign (resid 141 and name HA )(resid 141 and name HG1 ) 3.0 1.8 0.9 !#
assign (resid 141 and name HA )(resid 141 and name HG2 ) 3.0 1.8 0.9 !#
assign (resid 141 and name HN )(resid 142 and name HN ) 3.0 1.2 0.5
assign (resid 141 and name HN )(resid 140 and name HA1 ) 3.0 1.2 0.5 !#
assign (resid 141 and name HN )(resid 140 and name HA2 ) 3.0 1.2 0.5 !#
assign (resid 141 and name HE22 )(resid 137 and name HG2# ) 4.0 4.7 2.5 ! !#

!Asp-142
assign (resid 142 and name HN )(resid 142 and name HA ) 4.0 2.2 1.0
assign (resid 142 and name HN )(resid 142 and name HB1 ) 4.0 2.2 1.0
assign (resid 142 and name HN )(resid 142 and name HB2 ) 2.5 0.7 0.2
assign (resid 142 and name HA )(resid 142 and name HB1 ) 2.5 0.7 0.2
assign (resid 142 and name HA )(resid 142 and name HB2 ) 3.0 1.2 0.3
assign (resid 142 and name HN )(resid 141 and name HA ) 3.0 1.2 0.5
assign (resid 142 and name HN )(resid 140 and name HA2 ) 4.0 2.2 1.0 !#
assign (resid 142 and name HN )(resid 141 and name HB2 ) 4.0 2.2 1.0
assign (resid 142 and name HN )(resid 141 and name HB1 ) 3.0 1.2 0.5
assign (resid 142 and name HN )(resid 141 and name HG# ) 4.0 3.2 2.0 !#
!Ile-143
assign (resid 143 and name HN )(resid 143 and name HG1# ) 4.0 3.2 2.0 !#
assign (resid 143 and name HA )(resid 143 and name HB ) 4.0 2.2 1.0
assign (resid 143 and name HA )(resid 143 and name HG1# ) 2.5 1.3 0.8 !#
assign (resid 143 and name HA )(resid 143 and name HD# ) 4.0 3.7 2.5 !#
assign (resid 143 and name HA )(resid 143 and name HG2# ) 4.0 3.3 2.1 !#
assign (resid 143 and name HD# )(resid 143 and name HG2# ) 2.5 3.7 3.2 ! !#
assign (resid 143 and name HN )(resid 142 and name HA ) 4.0 2.2 1.0
assign (resid 143 and name HD# )(resid 124 and name HB ) 4.0 3.7 2.5 !
assign (resid 143 and name HG2# )(resid 124 and name HB ) 4.0 3.7 2.5 !
!Thr-144
assign (resid 144 and name HA )(resid 144 and name HB ) 3.0 1.2 0.3
assign (resid 144 and name HA )(resid 144 and name HG2# ) 2.5 1.8 1.3 !#
assign (resid 144 and name HN )(resid 145 and name HN ) 2.5 0.7 0.2
assign (resid 144 and name HN )(resid 143 and name HG1# ) 4.0 3.2 2.0 !#
assign (resid 144 and name HN )(resid 143 and name HA ) 3.0 1.2 0.5
assign (resid 144 and name HN )(resid 143 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 144 and name HG2# )(resid 142 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 144 and name HB )(resid 121 and name HB1 ) 4.0 2.2 1.0
assign (resid 144 and name HB )(resid 121 and name HB2 ) 4.0 2.2 1.0
assign (resid 144 and name HG2# )(resid 121 and name HB1 ) 4.0 3.7 2.5 !
assign (resid 144 and name HG2# )(resid 121 and name HB2 ) 4.0 3.7 2.5 !
assign (resid 144 and name HG2# )(resid 138 and name HG# ) 4.0 4.7 3.5 ! !#
assign (resid 144 and name HG2# )(resid 123 and name HB1 ) 4.0 3.7 2.5 !
!Asp-145
assign (resid 145 and name HN )(resid 145 and name HA ) 4.0 2.2 1.0
assign (resid 145 and name HN )(resid 145 and name HB1 ) 2.5 0.7 0.2
assign (resid 145 and name HA )(resid 145 and name HB2 ) 2.5 0.7 0.2
assign (resid 145 and name HA )(resid 145 and name HB1 ) 2.5 0.7 0.2
assign (resid 145 and name HN )(resid 144 and name HA ) 4.0 2.2 1.0
assign (resid 145 and name HN )(resid 143 and name HA ) 3.0 1.2 0.5
assign (resid 145 and name HN )(resid 143 and name HG2# ) 2.5 2.2 1.7 !#
assign (resid 145 and name HA )(resid 111 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 145 and name HA )(resid 109 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 145 and name HB2 )(resid 109 and name HD# ) 3.0 2.2 1.3 !#
assign (resid 145 and name HB1 )(resid 109 and name HD# ) 4.0 3.2 2.0 !#
!Phe-146
assign (resid 146 and name HN )(resid 146 and name HA ) 4.0 2.2 1.0
assign (resid 146 and name HN )(resid 146 and name HD1 ) 4.0 2.2 1.0
assign (resid 146 and name HN )(resid 146 and name HB1 ) 4.0 2.2 1.0
assign (resid 146 and name HN )(resid 146 and name HB2 ) 3.0 1.2 0.5
assign (resid 146 and name HD2 )(resid 146 and name HB1 ) 3.0 1.2 0.3
assign (resid 146 and name HD1 )(resid 146 and name HB2 ) 3.0 1.2 0.3
assign (resid 146 and name HA )(resid 146 and name HB1 ) 3.0 1.2 0.3
assign (resid 146 and name HA )(resid 146 and name HB2 ) 4.0 2.2 1.0
assign (resid 146 and name HN )(resid 145 and name HA ) 2.5 0.7 0.2
assign (resid 146 and name HN )(resid 145 and name HB1 ) 3.0 1.2 0.5
assign (resid 146 and name HZ )(resid 143 and name HG2# ) 4.0 3.7 2.5 !#
assign (resid 146 and name HN )(resid 109 and name HA ) 4.0 2.2 1.0
assign (resid 146 and name HN )(resid 109 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 146 and name HN )(resid 109 and name HD# ) 4.0 3.2 2.0 !#
assign (resid 146 and name HD2 )(resid 12 and name HA ) 3.0 1.2 0.3
assign (resid 146 and name HD2 )(resid 10 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 146 and name HD2 )(resid 10 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 146 and name HD2 )(resid 10 and name HB# ) 3.0 2.2 1.3 !#
assign (resid 146 and name HD1 )(resid 111 and name HA ) 4.0 2.2 1.0
assign (resid 146 and name HE1 )(resid 124 and name HG2# ) 3.0 2.7 1.8 !#
assign (resid 146 and name HE2 )(resid 124 and name HG2# ) 3.0 2.7 1.8 !#
assign (resid 146 and name HE2 )(resid 18 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 146 and name HE2 )(resid 18 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 146 and name HE2 )(resid 12 and name HB1 ) 3.0 1.2 0.3
assign (resid 146 and name HE2 )(resid 12 and name HB2 ) 4.0 2.2 1.0
assign (resid 146 and name HZ )(resid 122 and name HG2# ) 3.0 2.7 1.8 !#
assign (resid 146 and name HZ )(resid 124 and name HG2# ) 3.0 2.7 1.8 !#
assign (resid 146 and name HZ )(resid 132 and name HG* ) 4.0 4.6 3.4 !#
assign (resid 146 and name HZ )(resid 122 and name HB ) 4.0 2.2 1.0
assign (resid 146 and name HA )(resid 12 and name HB1 ) 4.0 2.2 1.0
!Thr-147
assign (resid 147 and name HN )(resid 147 and name HG2# ) 3.0 2.7 2.0 !#
assign (resid 147 and name HN )(resid 147 and name HA ) 4.0 2.2 1.0
assign (resid 147 and name HN )(resid 147 and name HB ) 4.0 2.2 1.0
assign (resid 147 and name HA )(resid 147 and name HN ) 2.5 0.7 0.2
assign (resid 147 and name HA )(resid 147 and name HG2# ) 2.5 1.8 1.3 !#
assign (resid 147 and name HN )(resid 146 and name HA ) 2.5 0.7 0.2
assign (resid 147 and name HN )(resid 146 and name HB1 ) 2.5 0.7 0.2
assign (resid 147 and name HN )(resid 146 and name HB2 ) 3.0 1.2 0.5
assign (resid 147 and name HN )(resid 146 and name HD2 ) 4.0 2.2 1.0
assign (resid 147 and name HB )(resid 148 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 147 and name HN )(resid 10 and name HA ) 4.0 2.2 1.0
assign (resid 147 and name HN )(resid 11 and name HB# ) 4.0 3.2 2.0 !#
assign (resid 147 and name HN )(resid 11 and name HN ) 4.0 2.2 1.0
assign (resid 147 and name HN )(resid 110 and name HN ) 4.0 2.2 1.0
assign (resid 147 and name HN )(resid 10 and name HD2# ) 4.0 3.7 2.5 !#
assign (resid 147 and name HA )(resid 110 and name HG ) 4.0 2.2 1.0
assign (resid 147 and name HA )(resid 110 and name HD1# ) 3.0 2.7 1.8 !#
assign (resid 147 and name HG2# )(resid 109 and name HG# ) 4.0 4.7 3.5 ! !#
assign (resid 147 and name HG2# )(resid 109 and name HE# ) 4.0 4.7 3.5 ! !#
!Met-148
assign (resid 148 and name HN )(resid 148 and name HA ) 3.0 1.2 0.5
assign (resid 148 and name HN )(resid 148 and name HB# ) 2.5 1.3 0.8 !#
assign (resid 148 and name HN )(resid 148 and name HG# ) 3.0 2.2 1.5 !#
assign (resid 148 and name HA )(resid 148 and name HG1 ) 4.0 2.8 1.6 !#
assign (resid 148 and name HA )(resid 148 and name HG2 ) 4.0 2.8 1.6 !#
assign (resid 148 and name HA )(resid 148 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 148 and name HN )(resid 147 and name HA ) 2.5 0.7 0.2
assign (resid 148 and name HN )(resid 147 and name HB ) 3.0 1.2 0.5
assign (resid 148 and name HN )(resid 147 and name HG2# ) 3.0 2.7 2.0 !#
assign (resid 148 and name HN )(resid 110 and name HD1# ) 4.0 3.7 2.5 !#
assign (resid 148 and name HA )(resid 10 and name HD2# ) 2.5 2.2 1.7 !#
!Gln-149
assign (resid 149 and name HN )(resid 149 and name HG# ) 3.0 2.2 1.5 !#
assign (resid 149 and name HN )(resid 149 and name HB# ) 2.5 1.3 0.8 !#
assign (resid 149 and name HA )(resid 149 and name HG# ) 3.0 1.8 0.9 !#
assign (resid 149 and name HA )(resid 149 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 149 and name HN )(resid 150 and name HN ) 4.0 2.2 1.0
assign (resid 149 and name HN )(resid 148 and name HA ) 2.5 0.7 0.2
assign (resid 149 and name HN )(resid 148 and name HB# ) 2.5 1.7 1.2 !#
assign (resid 149 and name HN )(resid 10 and name HD2# ) 3.0 2.7 2.0 !#
assign (resid 149 and name HN )(resid 10 and name HG ) 4.0 2.2 1.0
assign (resid 149 and name HN )(resid 8 and name HB1 ) 4.0 2.2 1.0
assign (resid 149 and name HN )(resid 8 and name HB2 ) 4.0 2.2 1.0
assign (resid 149 and name HB# )(resid 11 and name HD# ) 4.0 4.2 3.0 ! !#
!Phe-150
assign (resid 150 and name HN )(resid 150 and name HA ) 4.0 2.2 1.0
assign (resid 150 and name HN )(resid 150 and name HB1 ) 4.0 2.2 1.0
assign (resid 150 and name HN )(resid 150 and name HB2 ) 3.0 1.2 0.5
assign (resid 150 and name HN )(resid 150 and name HD2 ) 4.0 2.2 1.0
assign (resid 150 and name HN )(resid 150 and name HD2 ) 3.0 1.2 0.5
assign (resid 150 and name HA )(resid 150 and name HB1 ) 2.5 0.7 0.2
assign (resid 150 and name HA )(resid 150 and name HB2 ) 4.0 2.2 1.0
assign (resid 150 and name HD1 )(resid 150 and name HA ) 4.0 2.2 1.0
assign (resid 150 and name HD2 )(resid 150 and name HA ) 4.0 2.2 1.0
assign (resid 150 and name HD1 )(resid 150 and name HB1 ) 3.0 1.2 0.3
assign (resid 150 and name HD2 )(resid 150 and name HB2 ) 3.0 1.2 0.3
assign (resid 150 and name HN )(resid 149 and name HA ) 4.0 2.2 1.0
assign (resid 150 and name HN )(resid 149 and name HB# ) 3.0 2.2 1.5 !#
assign (resid 150 and name HN )(resid 149 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 150 and name HN )(resid 148 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 150 and name HN )(resid 151 and name HN ) 4.0 2.2 1.0
assign (resid 150 and name HA )(resid 151 and name HG1# ) 4.0 3.7 2.5 !#
assign (resid 150 and name HD2 )(resid 148 and name HG# ) 4.0 3.2 2.0 !#
assign (resid 150 and name HZ )(resid 148 and name HE# ) 4.0 3.7 2.5 !#
assign (resid 150 and name HA )(resid 8 and name HB1 ) 3.0 1.2 0.3
assign (resid 150 and name HA )(resid 8 and name HB2 ) 4.0 2.2 1.0
assign (resid 150 and name HD1 )(resid 6 and name HG ) 3.0 1.2 0.3
assign (resid 150 and name HD1 )(resid 6 and name HD* ) 3.0 3.6 2.7 !#
assign (resid 150 and name HZ )(resid 6 and name HD* ) 4.0 4.6 3.4 !#
assign (resid 150 and name HE1 )(resid 6 and name HD1# ) 3.0 2.7 1.8 !#
assign (resid 150 and name HE1 )(resid 6 and name HD2# ) 3.0 2.7 1.8 !#
!Val-151
assign (resid 151 and name HN )(resid 151 and name HB ) 4.0 2.2 1.0
assign (resid 151 and name HN )(resid 151 and name HG2# ) 2.5 2.2 1.7 !#
assign (resid 151 and name HN )(resid 151 and name HG1# ) 3.0 2.7 2.0 !#
assign (resid 151 and name HA )(resid 151 and name HB ) 3.0 1.2 0.3
assign (resid 151 and name HA )(resid 151 and name HG2# ) 3.0 2.3 1.4 !#
assign (resid 151 and name HA )(resid 151 and name HG1# ) 2.5 1.8 1.3 !#
assign (resid 151 and name HN )(resid 152 and name HN ) 4.0 2.2 1.0
assign (resid 151 and name HN )(resid 150 and name HA ) 2.5 0.7 0.2
assign (resid 151 and name HN )(resid 150 and name HB1 ) 3.0 1.2 0.5
assign (resid 151 and name HN )(resid 150 and name HB2 ) 4.0 2.2 1.0
assign (resid 151 and name HN )(resid 150 and name HD1 ) 4.0 2.2 1.0
assign (resid 151 and name HN )(resid 8 and name HA ) 3.0 1.2 0.5
assign (resid 151 and name HN )(resid 9 and name HN ) 4.0 2.2 1.0
assign (resid 151 and name HN )(resid 8 and name HB2 ) 4.0 2.2 1.0
assign (resid 151 and name HB )(resid 7 and name HB2 ) 4.0 2.2 1.0
assign (resid 151 and name HB )(resid 7 and name HB1 ) 4.0 2.2 1.0
!Ser-152
assign (resid 152 and name HA )(resid 152 and name HB# ) 3.0 2.2 1.3 !#
assign (resid 152 and name HN )(resid 152 and name HB# ) 2.5 1.3 0.8 !#
assign (resid 152 and name HN )(resid 151 and name HA ) 2.5 0.7 0.2
assign (resid 152 and name HN )(resid 151 and name HB ) 2.5 0.7 0.2
assign (resid 152 and name HN )(resid 151 and name HG* ) 2.5 3.1 2.6 !#
!Ser-153
assign (resid 153 and name HN )(resid 153 and name HA ) 3.0 1.2 0.5
assign (resid 153 and name HA )(resid 153 and name HB# ) 3.0 2.2 1.3 !#
assign (resid 153 and name HN )(resid 152 and name HA ) 2.5 0.7 0.2
assign (resid 153 and name HN )(resid 152 and name HB# ) 2.5 1.7 1.2 !#

! H-bonds
assign (resid 110 and name O )(resid 146 and name N ) 2.8 0.3 0.5
assign (resid 110 and name O )(resid 146 and name HN ) 1.8 0.3 0.5
assign (resid 146 and name O )(resid 110 and name N ) 2.8 0.3 0.5
assign (resid 146 and name O )(resid 110 and name HN ) 1.8 0.3 0.5
assign (resid 147 and name O )(resid 11 and name N ) 2.8 0.3 0.5
assign (resid 147 and name O )(resid 11 and name HN ) 1.8 0.3 0.5
assign (resid 11 and name O )(resid 147 and name N ) 2.8 0.3 0.5
assign (resid 11 and name O )(resid 147 and name HN ) 1.8 0.3 0.5
assign (resid 149 and name O )(resid 9 and name N ) 2.8 0.3 0.5
assign (resid 149 and name O )(resid 9 and name HN ) 1.8 0.3 0.5
assign (resid 9 and name O )(resid 149 and name N ) 2.8 0.3 0.5
assign (resid 9 and name O )(resid 149 and name HN ) 1.8 0.3 0.5
assign (resid 16 and name O )(resid 12 and name N ) 2.8 0.3 0.5
assign (resid 16 and name O )(resid 12 and name HN ) 1.8 0.3 0.5
assign (resid 12 and name O )(resid 15 and name N ) 2.8 0.3 0.5
assign (resid 12 and name O )(resid 15 and name HN ) 1.8 0.3 0.5
assign (resid 8 and name O )(resid 42 and name N ) 2.8 0.3 0.5
assign (resid 8 and name O )(resid 42 and name HN ) 1.8 0.3 0.5
assign (resid 42 and name O )(resid 8 and name N ) 2.8 0.3 0.5
assign (resid 42 and name O )(resid 8 and name HN ) 1.8 0.3 0.5
assign (resid 6 and name O )(resid 44 and name N ) 2.8 0.3 0.5
assign (resid 6 and name O )(resid 44 and name HN ) 1.8 0.3 0.5
assign (resid 43 and name O )(resid 61 and name N ) 2.8 0.3 0.5
assign (resid 43 and name O )(resid 61 and name HN ) 1.8 0.3 0.5
assign (resid 61 and name O )(resid 43 and name N ) 2.8 0.3 0.5
assign (resid 61 and name O )(resid 43 and name HN ) 1.8 0.3 0.5
assign (resid 45 and name O )(resid 59 and name N ) 2.8 0.3 0.5
assign (resid 45 and name O )(resid 59 and name HN ) 1.8 0.3 0.5
assign (resid 59 and name O )(resid 45 and name N ) 2.8 0.3 0.5
assign (resid 59 and name O )(resid 45 and name HN ) 1.8 0.3 0.5
assign (resid 67 and name O )(resid 62 and name N ) 2.8 0.3 0.5
assign (resid 67 and name O )(resid 62 and name HN ) 1.8 0.3 0.5
assign (resid 60 and name O )(resid 69 and name N ) 2.8 0.3 0.5
assign (resid 60 and name O )(resid 69 and name HN ) 1.8 0.3 0.5
assign (resid 58 and name O )(resid 101 and name N ) 2.8 0.3 0.5
assign (resid 58 and name O )(resid 101 and name HN ) 1.8 0.3 0.5
assign (resid 101 and name O )(resid 58 and name N ) 2.8 0.3 0.5
assign (resid 101 and name O )(resid 58 and name HN ) 1.8 0.3 0.5
assign (resid 56 and name O )(resid 103 and name N ) 2.8 0.3 0.5
assign (resid 56 and name O )(resid 103 and name HN ) 1.8 0.3 0.5
assign (resid 103 and name O )(resid 56 and name N ) 2.8 0.3 0.5
assign (resid 103 and name O )(resid 56 and name HN ) 1.8 0.3 0.5
assign (resid 100 and name O )(resid 115 and name N ) 2.8 0.3 0.5
assign (resid 100 and name O )(resid 115 and name HN ) 1.8 0.3 0.5
assign (resid 113 and name O )(resid 102 and name N ) 2.8 0.3 0.5
assign (resid 113 and name O )(resid 102 and name HN ) 1.8 0.3 0.5
assign (resid 102 and name O )(resid 113 and name N ) 2.8 0.3 0.5
assign (resid 102 and name O )(resid 113 and name HN ) 1.8 0.3 0.5
assign (resid 111 and name O )(resid 104 and name N ) 2.8 0.3 0.5
assign (resid 111 and name O )(resid 104 and name HN ) 1.8 0.3 0.5
assign (resid 104 and name O )(resid 111 and name N ) 2.8 0.3 0.5
assign (resid 104 and name O )(resid 111 and name HN ) 1.8 0.3 0.5
assign (resid 106 and name O )(resid 109 and name N ) 2.8 0.3 0.5
assign (resid 106 and name O )(resid 109 and name HN ) 1.8 0.3 0.5
assign (resid 109 and name O )(resid 106 and name N ) 2.8 0.3 0.5
assign (resid 109 and name O )(resid 106 and name HN ) 1.8 0.3 0.5
assign (resid 120 and name O )(resid 114 and name N ) 2.8 0.3 0.5
assign (resid 120 and name O )(resid 114 and name HN ) 1.8 0.3 0.5
assign (resid 112 and name O )(resid 122 and name N ) 2.8 0.3 0.5
assign (resid 112 and name O )(resid 122 and name HN ) 1.8 0.3 0.5
assign (resid 121 and name O )(resid 135 and name N ) 2.8 0.3 0.5
assign (resid 121 and name O )(resid 135 and name HN ) 1.8 0.3 0.5
assign (resid 135 and name O )(resid 121 and name N ) 2.8 0.3 0.5
assign (resid 135 and name O )(resid 121 and name HN ) 1.8 0.3 0.5
assign (resid 133 and name O )(resid 123 and name N ) 2.8 0.3 0.5
assign (resid 133 and name O )(resid 123 and name HN ) 1.8 0.3 0.5
assign (resid 123 and name O )(resid 133 and name N ) 2.8 0.3 0.5
assign (resid 123 and name O )(resid 133 and name HN ) 1.8 0.3 0.5
assign (resid 26 and name O )(resid 132 and name N ) 2.8 0.3 0.5
assign (resid 26 and name O )(resid 132 and name HN ) 1.8 0.3 0.5
assign (resid 130 and name O )(resid 28 and name N ) 2.8 0.3 0.5
assign (resid 130 and name O )(resid 28 and name HN ) 1.8 0.3 0.5
assign (resid 27 and name O )(resid 19 and name N ) 2.8 0.3 0.5
assign (resid 27 and name O )(resid 19 and name HN ) 1.8 0.3 0.5
assign (resid 19 and name O )(resid 27 and name N ) 2.8 0.3 0.5
assign (resid 19 and name O )(resid 27 and name HN ) 1.8 0.3 0.5
assign (resid 29 and name O )(resid 17 and name N ) 2.8 0.3 0.5
assign (resid 29 and name O )(resid 17 and name HN ) 1.8 0.3 0.5
assign (resid 17 and name O )(resid 29 and name N ) 2.8 0.3 0.5
assign (resid 17 and name O )(resid 29 and name HN ) 1.8 0.3 0.5
assign (resid 66 and name O )(resid 85 and name N ) 2.8 0.3 0.5
assign (resid 66 and name O )(resid 85 and name HN ) 1.8 0.3 0.5
assign (resid 83 and name O )(resid 68 and name N ) 2.8 0.3 0.5
assign (resid 83 and name O )(resid 68 and name HN ) 1.8 0.3 0.5
assign (resid 68 and name O )(resid 83 and name N ) 2.8 0.3 0.5
assign (resid 68 and name O )(resid 83 and name HN ) 1.8 0.3 0.5
assign (resid 70 and name O )(resid 81 and name N ) 2.8 0.3 0.5
assign (resid 70 and name O )(resid 81 and name HN ) 1.8 0.3 0.5
assign (resid 81 and name O )(resid 70 and name N ) 2.8 0.3 0.5
assign (resid 81 and name O )(resid 70 and name HN ) 1.8 0.3 0.5
assign (resid 72 and name O )(resid 79 and name N ) 2.8 0.3 0.5
assign (resid 72 and name O )(resid 79 and name HN ) 1.8 0.3 0.5
assign (resid 79 and name O )(resid 72 and name N ) 2.8 0.3 0.5
assign (resid 79 and name O )(resid 72 and name HN ) 1.8 0.3 0.5
assign (resid 18 and name O )(resid 40 and name N ) 2.8 0.3 0.5
assign (resid 18 and name O )(resid 40 and name HN ) 1.8 0.3 0.5
assign (resid 57 and name O )(resid 47 and name N ) 2.8 0.3 0.5
assign (resid 57 and name O )(resid 47 and name HN ) 1.8 0.3 0.5
assign (resid 96 and name O )(resid 99 and name N ) 2.8 0.3 0.5
assign (resid 96 and name O )(resid 99 and name HN ) 1.8 0.3 0.5
assign (resid 97 and name O )(resid 100 and name N ) 2.8 0.3 0.5
assign (resid 97 and name O )(resid 100 and name HN ) 1.8 0.3 0.5
assign (resid 117 and name O )(resid 120 and name N ) 2.8 0.3 0.5
assign (resid 117 and name O )(resid 120 and name HN ) 1.8 0.3 0.5
assign (resid 124 and name O )(resid 143 and name N ) 2.8 0.3 0.5
assign (resid 124 and name O )(resid 143 and name HN ) 1.8 0.3 0.5
assign (resid 143 and name O )(resid 124 and name N ) 2.8 0.3 0.5
assign (resid 143 and name O )(resid 124 and name HN ) 1.8 0.3 0.5
assign (resid 12 and name OD1 )(resid 14 and name N ) 2.8 0.3 0.5
assign (resid 12 and name OD1 )(resid 14 and name HN ) 1.8 0.3 0.5
assign (resid 12 and name OD1 )(resid 16 and name N ) 2.8 0.3 0.5
assign (resid 12 and name OD1 )(resid 16 and name HN ) 1.8 0.3 0.5
assign (resid 114 and name OG )(resid 117 and name N ) 2.8 0.3 0.5
assign (resid 114 and name OG )(resid 117 and name HN ) 1.8 0.3 0.5

!h-bond restraints relating to bound water
assign (resid 10 and name n )
(resid 301 and name oh2 ) 2.8 0.4 0.7
assign (resid 10 and name hn )
(resid 301 and name oh2 ) 1.8 0.4 0.7
assign (resid 40 and name o )
(resid 301 and name oh2 ) 2.8 0.4 0.7
assign (resid 40 and name o )
(resid 301 and name h1 ) 1.8 0.4 0.7

assign (resid 18 and name n )
(resid 302 and name oh2 ) 2.8 0.4 0.7
assign (resid 18 and name hn )
(resid 302 and name oh2 ) 1.8 0.4 0.7
assign (resid 10 and name o )
(resid 302 and name oh2 ) 2.8 0.4 0.7
assign (resid 10 and name o )
(resid 302 and name h1 ) 1.8 0.4 0.7

assign (resid 26 and name n )
(resid 303 and name oh2 ) 2.8 0.4 0.7
assign (resid 26 and name hn )
(resid 303 and name oh2 ) 1.8 0.4 0.7
assign (resid 132 and name o )
(resid 303 and name oh2 ) 2.8 0.4 0.7
assign (resid 132 and name o )
(resid 303 and name h1 ) 1.8 0.4 0.7

assign (resid 60 and name n )
(resid 304 and name oh2 ) 2.8 0.4 0.7
assign (resid 60 and name hn )
(resid 304 and name oh2 ) 1.8 0.4 0.7
assign (resid 69 and name o )
(resid 304 and name oh2 ) 2.8 0.4 0.7
assign (resid 69 and name o )
(resid 304 and name h1 ) 1.8 0.4 0.7
assign (resid 99 and name o )
(resid 304 and name oh2 ) 2.8 0.4 0.7
assign (resid 99 and name o )
(resid 304 and name h2 ) 1.8 0.4 0.7

assign (resid 112 and name n )
(resid 305 and name oh2 ) 2.8 0.4 0.7
assign (resid 112 and name hn )
(resid 305 and name oh2 ) 1.8 0.4 0.7
assign (resid 144 and name o )
(resid 305 and name oh2 ) 2.8 0.4 0.7
assign (resid 144 and name o )
(resid 305 and name h1 ) 1.8 0.4 0.7
assign (resid 122 and name o )
(resid 305 and name oh2 ) 2.8 0.4 0.7
assign (resid 122 and name o )
(resid 305 and name h2 ) 1.8 0.4 0.7

assign (resid 125 and name n )
(resid 306 and name oh2 ) 2.8 0.4 0.7
assign (resid 125 and name hn )
(resid 306 and name oh2 ) 1.8 0.4 0.7
assign (resid 130 and name o )
(resid 306 and name oh2 ) 2.8 0.4 0.7
assign (resid 130 and name o )
(resid 306 and name h1 ) 1.8 0.4 0.7

assign (resid 129 and name n )
(resid 307 and name oh2 ) 2.8 0.4 0.7
assign (resid 129 and name hn )
(resid 307 and name oh2 ) 1.8 0.4 0.7
assign (resid 130 and name n )
(resid 307 and name oh2 ) 2.8 0.4 0.7
assign (resid 130 and name hn )
(resid 307 and name oh2 ) 1.8 0.4 0.7
assign (resid 28 and name o )
(resid 307 and name oh2 ) 2.8 0.4 0.7
assign (resid 28 and name o )
(resid 307 and name h1 ) 1.8 0.4 0.7
assign (resid 127 and name o )
(resid 307 and name oh2 ) 2.8 0.4 0.7
assign (resid 127 and name o )
(resid 307 and name h2 ) 1.8 0.4 0.7

B. Torsion angle restraints

The torsion angle restraints are derived from coupling constant and NOE data

using the conformational grid search program STEREOSEARCH [Nilges, M.,
Clore, G.M. & Gronenborn, A.M. (1990) Biopolymers 29, 813-822].
They are represented by a square well potential
[Clore et al. (1986) EMBO J. 5, 2729-2735]. The upper and lower limits are
given by i+j and i-j respectively, where the numbers are entered in the
order
x,i,j,m. x is the force constant and m the exponent used to compute the
torsion angle restraints target function.

!phi torsion angle restraints

!Pro-2
assign (resid 1 and name c) (resid 2 and name n)
(resid 2 and name ca) (resid 2 and name c) 1.0 -80.0 45.0 2

!Val-3
assign (resid 2 and name c) (resid 3 and name n)
(resid 3 and name ca) (resid 3 and name c) 1.0 -105.0 60.0 2

!Arg-4
assign (resid 3 and name c) (resid 4 and name n)
(resid 4 and name ca) (resid 4 and name c) 1.0 -115.0 50.0 2

!Ser-5
assign (resid 4 and name c) (resid 5 and name n)
(resid 5 and name ca) (resid 5 and name c) 1.0 -120.0 35.0 2

!Leu-6
assign (resid 5 and name c) (resid 6 and name n)
(resid 6 and name ca) (resid 6 and name c) 1.0 -115.0 50.0 2

!Asn-7
assign (resid 6 and name c) (resid 7 and name n)
(resid 7 and name ca) (resid 7 and name c) 1.0 -110.0 35.0 2

!Cys-8
assign (resid 7 and name c) (resid 8 and name n)
(resid 8 and name ca) (resid 8 and name c) 1.0 -120.0 55.0 2

!Thr-9
assign (resid 8 and name c) (resid 9 and name n)
(resid 9 and name ca) (resid 9 and name c) 1.0 -120.0 45.0 2

!Leu-10
assign (resid 9 and name c) (resid 10 and name n)
(resid 10 and name ca) (resid 10 and name c) 1.0 -110.0 30.0 2

!Arg-11
assign (resid 10 and name c) (resid 11 and name n)
(resid 11 and name ca) (resid 11 and name c) 1.0 -120.0 35.0 2

!Asp-12
assign (resid 11 and name c) (resid 12 and name n)
(resid 12 and name ca) (resid 12 and name c) 1.0 -70.0 30.0 2

!Ser-13
assign (resid 12 and name c) (resid 13 and name n)
(resid 13 and name ca) (resid 13 and name c) 1.0 -60.0 30.0 2

!Gln-14
assign (resid 13 and name c) (resid 14 and name n)
(resid 14 and name ca) (resid 14 and name c) 1.0 -120.0 30.0 2

!Gln-15
assign (resid 14 and name c) (resid 15 and name n)
(resid 15 and name ca) (resid 15 and name c) 1.0 55.0 30.0 2

!Lys-16
assign (resid 15 and name c) (resid 16 and name n)
(resid 16 and name ca) (resid 16 and name c) 1.0 -110.0 55.0 2

!Ser-17
assign (resid 16 and name c) (resid 17 and name n)
(resid 17 and name ca) (resid 17 and name c) 1.0 -120.0 35.0 2

!Leu-18
assign (resid 17 and name c) (resid 18 and name n)
(resid 18 and name ca) (resid 18 and name c) 1.0 -120.0 35.0 2

!Val-19
assign (resid 18 and name c) (resid 19 and name n)
(resid 19 and name ca) (resid 19 and name c) 1.0 -120.0 35.0 2

!Met-20
assign (resid 19 and name c) (resid 20 and name n)
(resid 20 and name ca) (resid 20 and name c) 1.0 -95.0 60.0 2

!Ser-21
assign (resid 20 and name c) (resid 21 and name n)
(resid 21 and name ca) (resid 21 and name c) 1.0 -120.0 45.0 2

!Gly-22
assign (resid 21 and name c) (resid 22 and name n)
(resid 22 and name ca) (resid 22 and name c) 1.0 -120.0 65.0 2

!Pro-23
assign (resid 22 and name c) (resid 23 and name n)
(resid 23 and name ca) (resid 23 and name c) 1.0 -90.0 55.0 2

!Tyr-24
assign (resid 23 and name c) (resid 24 and name n)
(resid 24 and name ca) (resid 24 and name c) 1.0 -120.0 35.0 2

!Glu-25
assign (resid 24 and name c) (resid 25 and name n)
(resid 25 and name ca) (resid 25 and name c) 1.0 -120.0 35.0 2

!Leu-26
assign (resid 25 and name c) (resid 26 and name n)
(resid 26 and name ca) (resid 26 and name c) 1.0 -115.0 30.0 2

!Lys-27
assign (resid 26 and name c) (resid 27 and name n)
(resid 27 and name ca) (resid 27 and name c) 1.0 -120.0 35.0 2

!Ala-28
assign (resid 27 and name c) (resid 28 and name n)
(resid 28 and name ca) (resid 28 and name c) 1.0 -115.0 30.0 2

!Leu-29
assign (resid 28 and name c) (resid 29 and name n)
(resid 29 and name ca) (resid 29 and name c) 1.0 -120.0 55.0 2

!His-30
assign (resid 29 and name c) (resid 30 and name n)
(resid 30 and name ca) (resid 30 and name c) 1.0 -70.0 30.0 2

!Leu-31
assign (resid 30 and name c) (resid 31 and name n)
(resid 31 and name ca) (resid 31 and name c) 1.0 -115.0 60.0 2

!Glu-32
assign (resid 31 and name c) (resid 32 and name n)
(resid 32 and name ca) (resid 32 and name c) 1.0 -115.0 45.0 2

!Gly-33
assign (resid 32 and name c) (resid 33 and name n)
(resid 33 and name ca) (resid 33 and name c) 1.0 70.0 30.0 2

!Gln-34
assign (resid 33 and name c) (resid 34 and name n)
(resid 34 and name ca) (resid 34 and name c) 1.0 -70.0 30.0 2

!Asp-35
assign (resid 34 and name c) (resid 35 and name n)
(resid 35 and name ca) (resid 35 and name c) 1.0 -80.0 30.0 2

!Met-36
assign (resid 35 and name c) (resid 36 and name n)
(resid 36 and name ca) (resid 36 and name c) 1.0 -55.0 30.0 2

!Glu-37
assign (resid 36 and name c) (resid 37 and name n)
(resid 37 and name ca) (resid 37 and name c) 1.0 -55.0 30.0 2

!Gln-38
assign (resid 37 and name c) (resid 38 and name n)
(resid 38 and name ca) (resid 38 and name c) 1.0 -60.0 30.0 2

!Gln-39
assign (resid 38 and name c) (resid 39 and name n)
(resid 39 and name ca) (resid 39 and name c) 1.0 -70.0 30.0 2

!Val-40
assign (resid 39 and name c) (resid 40 and name n)
(resid 40 and name ca) (resid 40 and name c) 1.0 -70.0 30.0 2

!Val-41
assign (resid 40 and name c) (resid 41 and name n)
(resid 41 and name ca) (resid 41 and name c) 1.0 -120.0 45.0 2

!Phe-42
assign (resid 41 and name c) (resid 42 and name n)
(resid 42 and name ca) (resid 42 and name c) 1.0 -115.0 40.0 2

!Ser-43
assign (resid 42 and name c) (resid 43 and name n)
(resid 43 and name ca) (resid 43 and name c) 1.0 -120.0 30.0 2

!Met-44
assign (resid 43 and name c) (resid 44 and name n)
(resid 44 and name ca) (resid 44 and name c) 1.0 -100.0 35.0 2

!Ser-45
assign (resid 44 and name c) (resid 45 and name n)
(resid 45 and name ca) (resid 45 and name c) 1.0 -115.0 40.0 2

!Phe-46
assign (resid 45 and name c) (resid 46 and name n)
(resid 46 and name ca) (resid 46 and name c) 1.0 -105.0 40.0 2

!Val-47
assign (resid 46 and name c) (resid 47 and name n)
(resid 47 and name ca) (resid 47 and name c) 1.0 -120.0 35.0 2

!Gln-48
assign (resid 47 and name c) (resid 48 and name n)
(resid 48 and name ca) (resid 48 and name c) 1.0 -75.0 30.0 2

!Gly-49
assign (resid 48 and name c) (resid 49 and name n)
(resid 49 and name ca) (resid 49 and name c) 1.0 -95.0 110.0 2

!Glu-50
assign (resid 49 and name c) (resid 50 and name n)
(resid 50 and name ca) (resid 50 and name c) 1.0 -80.0 30.0 2

!Glu-51
assign (resid 50 and name c) (resid 51 and name n)
(resid 51 and name ca) (resid 51 and name c) 1.0 -120.0 55.0 2

!Ser-52
assign (resid 51 and name c) (resid 52 and name n)
(resid 52 and name ca) (resid 52 and name c) 1.0 -110.0 45.0 2

!Asn-53
assign (resid 52 and name c) (resid 53 and name n)
(resid 53 and name ca) (resid 53 and name c) 1.0 -60.0 30.0 2

!Asp-54
assign (resid 53 and name c) (resid 54 and name n)
(resid 54 and name ca) (resid 54 and name c) 1.0 -90.0 30.0 2

!Lys-55
assign (resid 54 and name c) (resid 55 and name n)
(resid 55 and name ca) (resid 55 and name c) 1.0 -90.0 30.0 2

!Ile-56
assign (resid 55 and name c) (resid 56 and name n)
(resid 56 and name ca) (resid 56 and name c) 1.0 -115.0 30.0 2

!Pro-57
assign (resid 56 and name c) (resid 57 and name n)
(resid 57 and name ca) (resid 57 and name c) 1.0 -80.0 45.0 2

!Val-58
assign (resid 57 and name c) (resid 58 and name n)
(resid 58 and name ca) (resid 58 and name c) 1.0 -120.0 35.0 2

!Ala-59
assign (resid 58 and name c) (resid 59 and name n)
(resid 59 and name ca) (resid 59 and name c) 1.0 -115.0 30.0 2

!Leu-60
assign (resid 59 and name c) (resid 60 and name n)
(resid 60 and name ca) (resid 60 and name c) 1.0 -105.0 60.0 2

!Gly-61
assign (resid 60 and name c) (resid 61 and name n)
(resid 61 and name ca) (resid 61 and name c) 1.0 -85.0 40.0 2

!Leu-62
assign (resid 61 and name c) (resid 62 and name n)
(resid 62 and name ca) (resid 62 and name c) 1.0 -70.0 30.0 2

!Lys-63
assign (resid 62 and name c) (resid 63 and name n)
(resid 63 and name ca) (resid 63 and name c) 1.0 -105.0 70.0 2

!Glu-64
assign (resid 63 and name c) (resid 64 and name n)
(resid 64 and name ca) (resid 64 and name c) 1.0 -115.0 60.0 2

!Lys-65
assign (resid 64 and name c) (resid 65 and name n)
(resid 65 and name ca) (resid 65 and name c) 1.0 -110.0 65.0 2

!Asn-66
assign (resid 65 and name c) (resid 66 and name n)
(resid 66 and name ca) (resid 66 and name c) 1.0 -115.0 60.0 2

!Leu-67
assign (resid 66 and name c) (resid 67 and name n)
(resid 67 and name ca) (resid 67 and name c) 1.0 -95.0 60.0 2

!Tyr-68
assign (resid 67 and name c) (resid 68 and name n)
(resid 68 and name ca) (resid 68 and name c) 1.0 -95.0 60.0 2

!Leu-69
assign (resid 68 and name c) (resid 69 and name n)
(resid 69 and name ca) (resid 69 and name c) 1.0 -90.0 45.0 2

!Ser-70
assign (resid 69 and name c) (resid 70 and name n)
(resid 70 and name ca) (resid 70 and name c) 1.0 -120.0 35.0 2

!Cys-71
assign (resid 70 and name c) (resid 71 and name n)
(resid 71 and name ca) (resid 71 and name c) 1.0 -120.0 35.0 2

!Val-72
assign (resid 71 and name c) (resid 72 and name n)
(resid 72 and name ca) (resid 72 and name c) 1.0 -120.0 35.0 2

!Leu-73
assign (resid 72 and name c) (resid 73 and name n)
(resid 73 and name ca) (resid 73 and name c) 1.0 -80.0 30.0 2

!Lys-74
assign (resid 73 and name c) (resid 74 and name n)
(resid 74 and name ca) (resid 74 and name c) 1.0 -120.0 35.0 2

!Asp-75
assign (resid 74 and name c) (resid 75 and name n)
(resid 75 and name ca) (resid 75 and name c) 1.0 55.0 30.0 2

!Asp-76
assign (resid 75 and name c) (resid 76 and name n)
(resid 76 and name ca) (resid 76 and name c) 1.0 55.0 30.0 2

!Lys-77
assign (resid 76 and name c) (resid 77 and name n)
(resid 77 and name ca) (resid 77 and name c) 1.0 -120.0 35.0 2

!Pro-78
assign (resid 77 and name c) (resid 78 and name n)
(resid 78 and name ca) (resid 78 and name c) 1.0 -80.0 45.0 2

!Thr-79
assign (resid 78 and name c) (resid 79 and name n)
(resid 79 and name ca) (resid 79 and name c) 1.0 -120.0 35.0 2

!Leu-80
assign (resid 79 and name c) (resid 80 and name n)
(resid 80 and name ca) (resid 80 and name c) 1.0 -75.0 30.0 2

!Glu-81
assign (resid 80 and name c) (resid 81 and name n)
(resid 81 and name ca) (resid 81 and name c) 1.0 -120.0 35.0 2

!Leu-82
assign (resid 81 and name c) (resid 82 and name n)
(resid 82 and name ca) (resid 82 and name c) 1.0 -120.0 35.0 2

!Glu-83
assign (resid 82 and name c) (resid 83 and name n)
(resid 83 and name ca) (resid 83 and name c) 1.0 -115.0 30.0 2

!Ser-84
assign (resid 83 and name c) (resid 84 and name n)
(resid 84 and name ca) (resid 84 and name c) 1.0 -100.0 55.0 2

!Val-85
assign (resid 84 and name c) (resid 85 and name n)
(resid 85 and name ca) (resid 85 and name c) 1.0 -120.0 35.0 2

!Asp-86
assign (resid 85 and name c) (resid 86 and name n)
(resid 86 and name ca) (resid 86 and name c) 1.0 -60.0 30.0 2

!Pro-87
assign (resid 86 and name c) (resid 87 and name n)
(resid 87 and name ca) (resid 87 and name c) 1.0 -80.0 45.0 2

!Lys-88
assign (resid 87 and name c) (resid 88 and name n)
(resid 88 and name ca) (resid 88 and name c) 1.0 -80.0 30.0 2

!Asn-89
assign (resid 88 and name c) (resid 89 and name n)
(resid 89 and name ca) (resid 89 and name c) 1.0 -120.0 35.0 2

!Tyr-90
assign (resid 89 and name c) (resid 90 and name n)
(resid 90 and name ca) (resid 90 and name c) 1.0 -120.0 35.0 2

!Pro-91
assign (resid 90 and name c) (resid 91 and name n)
(resid 91 and name ca) (resid 91 and name c) 1.0 -80.0 45.0 2

!Lys-92
assign (resid 91 and name c) (resid 92 and name n)
(resid 92 and name ca) (resid 92 and name c) 1.0 -120.0 45.0 2

!Lys-93
assign (resid 92 and name c) (resid 93 and name n)
(resid 93 and name ca) (resid 93 and name c) 1.0 -50.0 35.0 2

!Lys-94
assign (resid 93 and name c) (resid 94 and name n)
(resid 94 and name ca) (resid 94 and name c) 1.0 -100.0 30.0 2

!Met-95
assign (resid 94 and name c) (resid 95 and name n)
(resid 95 and name ca) (resid 95 and name c) 1.0 -115.0 50.0 2

!Glu-96
assign (resid 95 and name c) (resid 96 and name n)
(resid 96 and name ca) (resid 96 and name c) 1.0 -55.0 30.0 2

!Lys-97
assign (resid 96 and name c) (resid 97 and name n)
(resid 97 and name ca) (resid 97 and name c) 1.0 -55.0 30.0 2

!Arg-98
assign (resid 97 and name c) (resid 98 and name n)
(resid 98 and name ca) (resid 98 and name c) 1.0 -55.0 30.0 2

!Phe-99
assign (resid 98 and name c) (resid 99 and name n)
(resid 99 and name ca) (resid 99 and name c) 1.0 -115.0 40.0 2

!Val-100
assign (resid 99 and name c) (resid 100 and name n)
(resid 100 and name ca) (resid 100 and name c) 1.0 -115.0 40.0 2

!Phe-101
assign (resid 100 and name c) (resid 101 and name n)
(resid 101 and name ca) (resid 101 and name c) 1.0 -120.0 30.0 2

!Asn-102
assign (resid 101 and name c) (resid 102 and name n)
(resid 102 and name ca) (resid 102 and name c) 1.0 -105.0 60.0 2

!Lys-103
assign (resid 102 and name c) (resid 103 and name n)
(resid 103 and name ca) (resid 103 and name c) 1.0 -75.0 30.0 2

!Ile-104
assign (resid 103 and name c) (resid 104 and name n)
(resid 104 and name ca) (resid 104 and name c) 1.0 -125.0 30.0 2

!Glu-105
assign (resid 104 and name c) (resid 105 and name n)
(resid 105 and name ca) (resid 105 and name c) 1.0 -120.0 35.0 2

!Ile-106
assign (resid 105 and name c) (resid 106 and name n)
(resid 106 and name ca) (resid 106 and name c) 1.0 -120.0 35.0 2

!Asn-107
assign (resid 106 and name c) (resid 107 and name n)
(resid 107 and name ca) (resid 107 and name c) 1.0 60.0 30.0 2

!Asn-108
assign (resid 107 and name c) (resid 108 and name n)
(resid 108 and name ca) (resid 108 and name c) 1.0 60.0 30.0 2

!Lys-109
assign (resid 108 and name c) (resid 109 and name n)
(resid 109 and name ca) (resid 109 and name c) 1.0 -120.0 35.0 2

!Leu-110
assign (resid 109 and name c) (resid 110 and name n)
(resid 110 and name ca) (resid 110 and name c) 1.0 -130.0 30.0 2

!Glu-111
assign (resid 110 and name c) (resid 111 and name n)
(resid 111 and name ca) (resid 111 and name c) 1.0 -120.0 45.0 2

!Phe-112
assign (resid 111 and name c) (resid 112 and name n)
(resid 112 and name ca) (resid 112 and name c) 1.0 -95.0 80.0 2

!Glu-113
assign (resid 112 and name c) (resid 113 and name n)
(resid 113 and name ca) (resid 113 and name c) 1.0 -120.0 55.0 2

!Ser-114
assign (resid 113 and name c) (resid 114 and name n)
(resid 114 and name ca) (resid 114 and name c) 1.0 -80.0 35.0 2

!Ala-115
assign (resid 114 and name c) (resid 115 and name n)
(resid 115 and name ca) (resid 115 and name c) 1.0 -45.0 30.0 2

!Glu-116
assign (resid 115 and name c) (resid 116 and name n)
(resid 116 and name ca) (resid 116 and name c) 1.0 -70.0 30.0 2

!Phe-117
assign (resid 116 and name c) (resid 117 and name n)
(resid 117 and name ca) (resid 117 and name c) 1.0 -120.0 35.0 2

!Pro-118
assign (resid 117 and name c) (resid 118 and name n)
(resid 118 and name ca) (resid 118 and name c) 1.0 -75.0 30.0 2

!Asn-119
assign (resid 118 and name c) (resid 119 and name n)
(resid 119 and name ca) (resid 119 and name c) 1.0 60.0 30.0 2

!Trp-120
assign (resid 119 and name c) (resid 120 and name n)
(resid 120 and name ca) (resid 120 and name c) 1.0 -120.0 35.0 2

!Tyr-121
assign (resid 120 and name c) (resid 121 and name n)
(resid 121 and name ca) (resid 121 and name c) 1.0 -120.0 35.0 2

!Ile-22
assign (resid 121 and name c) (resid 122 and name n)
(resid 122 and name ca) (resid 122 and name c) 1.0 -95.0 50.0 2

!Ser-123
assign (resid 122 and name c) (resid 123 and name n)
(resid 123 and name ca) (resid 123 and name c) 1.0 -120.0 30.0 2

!Thr-124
assign (resid 123 and name c) (resid 124 and name n)
(resid 124 and name ca) (resid 124 and name c) 1.0 -110.0 55.0 2

!Ser-125
assign (resid 124 and name c) (resid 125 and name n)
(resid 125 and name ca) (resid 125 and name c) 1.0 -105.0 50.0 2

!Glu-126
assign (resid 125 and name c) (resid 126 and name n)
(resid 126 and name ca) (resid 126 and name c) 1.0 -60.0 30.0 2

!Ala-127
assign (resid 126 and name c) (resid 127 and name n)
(resid 127 and name ca) (resid 127 and name c) 1.0 -75.0 30.0 2

!Glu-128
assign (resid 127 and name c) (resid 128 and name n)
(resid 128 and name ca) (resid 128 and name c) 1.0 -60.0 30.0 2

!Asn-129
assign (resid 128 and name c) (resid 129 and name n)
(resid 129 and name ca) (resid 129 and name c) 1.0 55.0 30.0 2

!Met-130
assign (resid 129 and name c) (resid 130 and name n)
(resid 130 and name ca) (resid 130 and name c) 1.0 -120.0 30.0 2

!Pro-131
assign (resid 130 and name c) (resid 131 and name n)
(resid 131 and name ca) (resid 131 and name c) 1.0 -85.0 80.0 2

!Val-132
assign (resid 131 and name c) (resid 132 and name n)
(resid 132 and name ca) (resid 132 and name c) 1.0 -95.0 60.0 2

!Phe-133
assign (resid 132 and name c) (resid 133 and name n)
(resid 133 and name ca) (resid 133 and name c) 1.0 -105.0 70.0 2

!Leu-134
assign (resid 133 and name c) (resid 134 and name n)
(resid 134 and name ca) (resid 134 and name c) 1.0 -80.0 35.0 2

!Gly-135
assign (resid 134 and name c) (resid 135 and name n)
(resid 135 and name ca) (resid 135 and name c) 1.0 -85.0 70.0 2

!Gly-136
assign (resid 135 and name c) (resid 136 and name n)
(resid 136 and name ca) (resid 136 and name c) 1.0 -85.0 60.0 2

!Thr-137
assign (resid 136 and name c) (resid 137 and name n)
(resid 137 and name ca) (resid 137 and name c) 1.0 -115.0 30.0 2

!Lys-138
assign (resid 137 and name c) (resid 138 and name n)
(resid 138 and name ca) (resid 138 and name c) 1.0 -120.0 55.0 2

!Gly-139
assign (resid 138 and name c) (resid 139 and name n)
(resid 139 and name ca) (resid 139 and name c) 1.0 95.0 40.0 2

!Gly-140
assign (resid 139 and name c) (resid 140 and name n)
(resid 140 and name ca) (resid 140 and name c) 1.0 50.0 40.0 2

!Gln-141
assign (resid 140 and name c) (resid 141 and name n)
(resid 141 and name ca) (resid 141 and name c) 1.0 -145.0 40.0 2

!Asp-142
assign (resid 141 and name c) (resid 142 and name n)
(resid 142 and name ca) (resid 142 and name c) 1.0 -80.0 30.0 2

!Ile-143
assign (resid 142 and name c) (resid 143 and name n)
(resid 143 and name ca) (resid 143 and name c) 1.0 -100.0 75.0 2

!Thr-144
assign (resid 143 and name c) (resid 144 and name n)
(resid 144 and name ca) (resid 144 and name c) 1.0 -125.0 30.0 2

!Asp-145
assign (resid 144 and name c) (resid 145 and name n)
(resid 145 and name ca) (resid 145 and name c) 1.0 -115.0 60.0 2

!Phe-146
assign (resid 145 and name c) (resid 146 and name n)
(resid 146 and name ca) (resid 146 and name c) 1.0 -130.0 25.0 2

!Thr-147
assign (resid 146 and name c) (resid 147 and name n)
(resid 147 and name ca) (resid 147 and name c) 1.0 -120.0 35.0 2

!Met-148
assign (resid 147 and name c) (resid 148 and name n)
(resid 148 and name ca) (resid 148 and name c) 1.0 -110.0 65.0 2

!Gln-149
assign (resid 148 and name c) (resid 149 and name n)
(resid 149 and name ca) (resid 149 and name c) 1.0 -80.0 75.0 2

!Phe-150
assign (resid 149 and name c) (resid 150 and name n)
(resid 150 and name ca) (resid 150 and name c) 1.0 -105.0 55.0 2

!Val-151
assign (resid 150 and name c) (resid 151 and name n)
(resid 151 and name ca) (resid 151 and name c) 1.0 -120.0 35.0 2

!Ser-152
assign (resid 151 and name c) (resid 152 and name n)
(resid 152 and name ca) (resid 152 and name c) 1.0 -120.0 55.0 2

!Ser-153
assign (resid 152 and name c) (resid 153 and name n)
(resid 153 and name ca) (resid 153 and name c) 1.0 -120.0 45.0 2

!psi torsion angle restraints

!Val-3
assign (resid 3 and name n) (resid 3 and name ca)
(resid 3 and name c) (resid 4 and name n) 1.0 170.0 50.0 2

!Arg-4
assign (resid 4 and name n) (resid 4 and name ca)
(resid 4 and name c) (resid 5 and name n) 1.0 160.0 50.0 2

!Ser-5
assign (resid 5 and name n) (resid 5 and name ca)
(resid 5 and name c) (resid 6 and name n) 1.0 170.0 50.0 2

!Leu-6
assign (resid 6 and name n) (resid 6 and name ca)
(resid 6 and name c) (resid 7 and name n) 1.0 115.0 50.0 2

!Cys-8
assign (resid 8 and name n) (resid 8 and name ca)
(resid 8 and name c) (resid 9 and name n) 1.0 145.0 50.0 2

!Thr-9
assign (resid 9 and name n) (resid 9 and name ca)
(resid 9 and name c) (resid 10 and name n) 1.0 155.0 50.0 2

!Leu-10
assign (resid 10 and name n) (resid 10 and name ca)
(resid 10 and name c) (resid 11 and name n) 1.0 150.0 50.0 2

!Arg-11
assign (resid 11 and name n) (resid 11 and name ca)
(resid 11 and name c) (resid 12 and name n) 1.0 120.0 65.0 2

!Asp-12
assign (resid 12 and name n) (resid 12 and name ca)
(resid 12 and name c) (resid 13 and name n) 1.0 170.0 50.0 2

!Ser-13
assign (resid 13 and name n) (resid 13 and name ca)
(resid 13 and name c) (resid 14 and name n) 1.0 70.0 95.0 2

!Gln-15
assign (resid 15 and name n) (resid 15 and name ca)
(resid 15 and name c) (resid 16 and name n) 1.0 100.0 95.0 2

!Lys-16
assign (resid 16 and name n) (resid 16 and name ca)
(resid 16 and name c) (resid 17 and name n) 1.0 150.0 50.0 2

!Ser-17
assign (resid 17 and name n) (resid 17 and name ca)
(resid 17 and name c) (resid 18 and name n) 1.0 170.0 50.0 2

!Leu-18
assign (resid 18 and name n) (resid 18 and name ca)
(resid 18 and name c) (resid 19 and name n) 1.0 150.0 50.0 2

!Val-19
assign (resid 19 and name n) (resid 19 and name ca)
(resid 19 and name c) (resid 20 and name n) 1.0 55.0 110.0 2

!Met-20
assign (resid 20 and name n) (resid 20 and name ca)
(resid 20 and name c) (resid 21 and name n) 1.0 105.0 60.0 2

!Gly-22
assign (resid 22 and name n) (resid 22 and name ca)
(resid 22 and name c) (resid 23 and name n) 1.0 180.0 65.0 2

!Tyr-24
assign (resid 24 and name n) (resid 24 and name ca)
(resid 24 and name c) (resid 25 and name n) 1.0 100.0 125.0 2

!Glu-25
assign (resid 25 and name n) (resid 25 and name ca)
(resid 25 and name c) (resid 26 and name n) 1.0 -140.0 95.0 2

!Leu-26
assign (resid 26 and name n) (resid 26 and name ca)
(resid 26 and name c) (resid 27 and name n) 1.0 135.0 50.0 2

!Lys-27
assign (resid 27 and name n) (resid 27 and name ca)
(resid 27 and name c) (resid 28 and name n) 1.0 145.0 110.0 2

!Ala-26
assign (resid 28 and name n) (resid 28 and name ca)
(resid 28 and name c) (resid 29 and name n) 1.0 155.0 50.0 2

!Leu-29
assign (resid 29 and name n) (resid 29 and name ca)
(resid 29 and name c) (resid 30 and name n) 1.0 165.0 50.0 2

!Gln-32
assign (resid 32 and name n) (resid 32 and name ca)
(resid 32 and name c) (resid 33 and name n) 1.0 120.0 50.0 2

!Gly-33
assign (resid 33 and name n) (resid 33 and name ca)
(resid 33 and name c) (resid 34 and name n) 1.0 180.0 65.0 2

!Gln-34
assign (resid 34 and name n) (resid 34 and name ca)
(resid 34 and name c) (resid 35 and name n) 1.0 25.0 60.0 2

!Asp-35
assign (resid 35 and name n) (resid 35 and name ca)
(resid 35 and name c) (resid 36 and name n) 1.0 -50.0 50.0 2

!Met-36
assign (resid 36 and name n) (resid 36 and name ca)
(resid 36 and name c) (resid 37 and name n) 1.0 -45.0 50.0 2

!Gln-37
assign (resid 37 and name n) (resid 37 and name ca)
(resid 37 and name c) (resid 38 and name n) 1.0 5.0 80.0 2

!Gln-38
assign (resid 38 and name n) (resid 38 and name ca)
(resid 38 and name c) (resid 39 and name n) 1.0 -20.0 50.0 2

!Val-40
assign (resid 40 and name n) (resid 40 and name ca)
(resid 40 and name c) (resid 41 and name n) 1.0 170.0 50.0 2

!Val-41
assign (resid 41 and name n) (resid 41 and name ca)
(resid 41 and name c) (resid 42 and name n) 1.0 110.0 65.0 2

!Phe-42
assign (resid 42 and name n) (resid 42 and name ca)
(resid 42 and name c) (resid 43 and name n) 1.0 155.0 50.0 2

!Ser-43
assign (resid 43 and name n) (resid 43 and name ca)
(resid 43 and name c) (resid 44 and name n) 1.0 115.0 50.0 2

!Met-44
assign (resid 44 and name n) (resid 44 and name ca)
(resid 44 and name c) (resid 45 and name n) 1.0 115.0 50.0 2

!Ser-45
assign (resid 45 and name n) (resid 45 and name ca)
(resid 45 and name c) (resid 46 and name n) 1.0 150.0 50.0 2

!Phe-46
assign (resid 46 and name n) (resid 46 and name ca)
(resid 46 and name c) (resid 47 and name n) 1.0 135.0 50.0 2

!Val-47
assign (resid 47 and name n) (resid 47 and name ca)
(resid 47 and name c) (resid 48 and name n) 1.0 -130.0 50.0 2

!Gln-48
assign (resid 48 and name n) (resid 48 and name ca)
(resid 48 and name c) (resid 49 and name n) 1.0 80.0 70.0 2

!Gly-49
assign (resid 49 and name n) (resid 49 and name ca)
(resid 49 and name c) (resid 50 and name n) 1.0 180.0 50.0 2

!Glu-50
assign (resid 50 and name n) (resid 50 and name ca)
(resid 50 and name c) (resid 51 and name n) 1.0 125.0 60.0 2

!Asn-53
assign (resid 53 and name n) (resid 53 and name ca)
(resid 53 and name c) (resid 54 and name n) 1.0 -45.0 50.0 2

!Ile-56
assign (resid 56 and name n) (resid 56 and name ca)
(resid 56 and name c) (resid 57 and name n) 1.0 120.0 65.0 2

!Pro-57
assign (resid 57 and name n) (resid 57 and name ca)
(resid 57 and name c) (resid 58 and name n) 1.0 145.0 50.0 2

!Val-58
assign (resid 58 and name n) (resid 58 and name ca)
(resid 58 and name c) (resid 59 and name n) 1.0 165.0 50.0 2

!Leu-60
assign (resid 60 and name n) (resid 60 and name ca)
(resid 60 and name c) (resid 61 and name n) 1.0 150.0 50.0 2

!Gly-61
assign (resid 61 and name n) (resid 61 and name ca)
(resid 61 and name c) (resid 62 and name n) 1.0 180.0 135.0 2

!Leu-62
assign (resid 62 and name n) (resid 62 and name ca)
(resid 62 and name c) (resid 63 and name n) 1.0 155.0 50.0 2

!Glu-64
assign (resid 64 and name n) (resid 64 and name ca)
(resid 64 and name c) (resid 65 and name n) 1.0 -5.0 50.0 2

!Asn-66
assign (resid 66 and name n) (resid 66 and name ca)
(resid 66 and name c) (resid 67 and name n) 1.0 -10.0 135.0 2

!Leu-67
assign (resid 67 and name n) (resid 67 and name ca)
(resid 67 and name c) (resid 68 and name n) 1.0 115.0 50.0 2

!Tyr-68
assign (resid 68 and name n) (resid 68 and name ca)
(resid 68 and name c) (resid 69 and name n) 1.0 140.0 50.0 2

!Leu-69
assign (resid 69 and name n) (resid 69 and name ca)
(resid 69 and name c) (resid 70 and name n) 1.0 140.0 50.0 2

!Ser-70
assign (resid 70 and name n) (resid 70 and name ca)
(resid 70 and name c) (resid 71 and name n) 1.0 150.0 50.0 2

!Cys-71
assign (resid 71 and name n) (resid 71 and name ca)
(resid 71 and name c) (resid 72 and name n) 1.0 140.0 50.0 2

!Val-72
assign (resid 72 and name n) (resid 72 and name ca)
(resid 72 and name c) (resid 73 and name n) 1.0 165.0 50.0 2

!Leu-73
assign (resid 73 and name n) (resid 73 and name ca)
(resid 73 and name c) (resid 74 and name n) 1.0 115.0 70.0 2

!Lys-74
assign (resid 74 and name n) (resid 74 and name ca)
(resid 74 and name c) (resid 75 and name n) 1.0 120.0 50.0 2

!Asp-75
assign (resid 75 and name n) (resid 75 and name ca)
(resid 75 and name c) (resid 76 and name n) 1.0 40.0 50.0 2

!Asp-76
assign (resid 76 and name n) (resid 76 and name ca)
(resid 76 and name c) (resid 77 and name n) 1.0 40.0 50.0 2

!Pro-78
assign (resid 78 and name n) (resid 78 and name ca)
(resid 78 and name c) (resid 79 and name n) 1.0 150.0 50.0 2

!Thr-79
assign (resid 79 and name n) (resid 79 and name ca)
(resid 79 and name c) (resid 80 and name n) 1.0 130.0 50.0 2

!Leu-80
assign (resid 80 and name n) (resid 80 and name ca)
(resid 80 and name c) (resid 81 and name n) 1.0 115.0 50.0 2

!Glu-81
assign (resid 81 and name n) (resid 81 and name ca)
(resid 81 and name c) (resid 82 and name n) 1.0 120.0 65.0 2

!Leu-82
assign (resid 82 and name n) (resid 82 and name ca)
(resid 82 and name c) (resid 83 and name n) 1.0 145.0 50.0 2

!Ser-84
assign (resid 84 and name n) (resid 84 and name ca)
(resid 84 and name c) (resid 85 and name n) 1.0 135.0 50.0 2

!Val-85
assign (resid 85 and name n) (resid 85 and name ca)
(resid 85 and name c) (resid 86 and name n) 1.0 165.0 50.0 2

!Asp-86
assign (resid 86 and name n) (resid 86 and name ca)
(resid 86 and name c) (resid 87 and name n) 1.0 135.0 50.0 2

!Lys-88
assign (resid 88 and name n) (resid 88 and name ca)
(resid 88 and name c) (resid 89 and name n) 1.0 65.0 110.0 2

!Pro-91
assign (resid 91 and name n) (resid 91 and name ca)
(resid 91 and name c) (resid 92 and name n) 1.0 155.0 50.0 2

!Lys-92
assign (resid 92 and name n) (resid 92 and name ca)
(resid 92 and name c) (resid 93 and name n) 1.0 165.0 50.0 2

!Lys-93
assign (resid 93 and name n) (resid 93 and name ca)
(resid 93 and name c) (resid 94 and name n) 1.0 -50.0 50.0 2

!Lys-94
assign (resid 94 and name n) (resid 94 and name ca)
(resid 94 and name c) (resid 95 and name n) 1.0 115.0 50.0 2

!Met-95
assign (resid 95 and name n) (resid 95 and name ca)
(resid 95 and name c) (resid 96 and name n) 1.0 150.0 50.0 2

!Glu-96
assign (resid 96 and name n) (resid 96 and name ca)
(resid 96 and name c) (resid 97 and name n) 1.0 130.0 50.0 2

!Lys-97
assign (resid 97 and name n) (resid 97 and name ca)
(resid 97 and name c) (resid 98 and name n) 1.0 -65.0 50.0 2

!Arg-98
assign (resid 98 and name n) (resid 98 and name ca)
(resid 98 and name c) (resid 99 and name n) 1.0 -70.0 65.0 2

!Val-100
assign (resid 100 and name n) (resid 100 and name ca)
(resid 100 and name c) (resid 101 and name n) 1.0 105.0 50.0 2

!Phe-101
assign (resid 101 and name n) (resid 101 and name ca)
(resid 101 and name c) (resid 102 and name n) 1.0 25.0 140.0 2

!Asn-102
assign (resid 102 and name n) (resid 102 and name ca)
(resid 102 and name c) (resid 103 and name n) 1.0 145.0 50.0 2

!Glu-105
assign (resid 105 and name n) (resid 105 and name ca)
(resid 105 and name c) (resid 106 and name n) 1.0 140.0 50.0 2

!Asn-107
assign (resid 107 and name n) (resid 107 and name ca)
(resid 107 and name c) (resid 108 and name n) 1.0 110.0 65.0 2

!Lys-109
assign (resid 109 and name n) (resid 109 and name ca)
(resid 109 and name c) (resid 110 and name n) 1.0 120.0 50.0 2

!Leu-110
assign (resid 110 and name n) (resid 110 and name ca)
(resid 110 and name c) (resid 111 and name n) 1.0 170.0 50.0 2

!Glu-113
assign (resid 113 and name n) (resid 113 and name ca)
(resid 113 and name c) (resid 114 and name n) 1.0 135.0 50.0 2

!Ser-114
assign (resid 114 and name n) (resid 114 and name ca)
(resid 114 and name c) (resid 115 and name n) 1.0 65.0 100.0 2

!Ala-115
assign (resid 115 and name n) (resid 115 and name ca)
(resid 115 and name c) (resid 116 and name n) 1.0 -70.0 50.0 2

!Glu-116
assign (resid 116 and name n) (resid 116 and name ca)
(resid 116 and name c) (resid 117 and name n) 1.0 -40.0 50.0 2

!Pro-118
assign (resid 118 and name n) (resid 118 and name ca)
(resid 118 and name c) (resid 119 and name n) 1.0 140.0 50.0 2

!Trp-120
assign (resid 120 and name n) (resid 120 and name ca)
(resid 120 and name c) (resid 121 and name n) 1.0 140.0 50.0 2

!Tyr-121
assign (resid 121 and name n) (resid 121 and name ca)
(resid 121 and name c) (resid 122 and name n) 1.0 135.0 50.0 2

!Ile-122
assign (resid 122 and name n) (resid 122 and name ca)
(resid 122 and name c) (resid 123 and name n) 1.0 160.0 50.0 2

!Ser-123
assign (resid 123 and name n) (resid 123 and name ca)
(resid 123 and name c) (resid 124 and name n) 1.0 50.0 125.0 2

!Thr-124
assign (resid 124 and name n) (resid 124 and name ca)
(resid 124 and name c) (resid 125 and name n) 1.0 170.0 50.0 2

!Ser-125
assign (resid 125 and name n) (resid 125 and name ca)
(resid 125 and name c) (resid 126 and name n) 1.0 145 50.0 2

!Ala-127
assign (resid 127 and name n) (resid 127 and name ca)
(resid 127 and name c) (resid 128 and name n) 1.0 170.0 50.0 2

!Glu-128
assign (resid 128 and name n) (resid 128 and name ca)
(resid 128 and name c) (resid 129 and name n) 1.0 100.0 55.0 2

!Asn-129
assign (resid 129 and name n) (resid 129 and name ca)
(resid 129 and name c) (resid 130 and name n) 1.0 30.0 50.0 2

!Met-130
assign (resid 130 and name n) (resid 130 and name ca)
(resid 130 and name c) (resid 131 and name n) 1.0 125.0 50.0 2

!Pro-131
assign (resid 131 and name n) (resid 131 and name ca)
(resid 131 and name c) (resid 132 and name n) 1.0 140.0 50.0 2

!Val-132
assign (resid 132 and name n) (resid 132 and name ca)
(resid 132 and name c) (resid 133 and name n) 1.0 115.0 60.0 2

!Phe-133
assign (resid 133 and name n) (resid 133 and name ca)
(resid 133 and name c) (resid 134 and name n) 1.0 70.0 115.0 2

!Leu-134
assign (resid 134 and name n) (resid 134 and name ca)
(resid 134 and name c) (resid 135 and name n) 1.0 150.0 50.0 2

!Gly-135
assign (resid 135 and name n) (resid 135 and name ca)
(resid 135 and name c) (resid 136 and name n) 1.0 150.0 90.0 2

!Lys-138
assign (resid 138 and name n) (resid 138 and name ca)
(resid 138 and name c) (resid 139 and name n) 1.0 145.0 50.0 2

!Gly-139
assign (resid 139 and name n) (resid 139 and name ca)
(resid 139 and name c) (resid 140 and name n) 1.0 150.0 90.0 2

!Gly-140
assign (resid 140 and name n) (resid 140 and name ca)
(resid 140 and name c) (resid 141 and name n) 1.0 150.0 90.0 2

!Thr-144
assign (resid 144 and name n) (resid 144 and name ca)
(resid 144 and name c) (resid 145 and name n) 1.0 30.0 55.0 2

!Asp-145
assign (resid 145 and name n) (resid 145 and name ca)
(resid 145 and name c) (resid 146 and name n) 1.0 160.0 50.0 2

!Phe-146
assign (resid 146 and name n) (resid 146 and name ca)
(resid 146 and name c) (resid 147 and name n) 1.0 160.0 50.0 2

!Thr-147
assign (resid 147 and name n) (resid 147 and name ca)
(resid 147 and name c) (resid 148 and name n) 1.0 150.0 50.0 2

!Met-148
assign (resid 148 and name n) (resid 148 and name ca)
(resid 148 and name c) (resid 149 and name n) 1.0 160.0 50.0 2

!Phe-150
assign (resid 150 and name n) (resid 150 and name ca)
(resid 150 and name c) (resid 151 and name n) 1.0 150.0 50.0 2

!Val-151
assign (resid 151 and name n) (resid 151 and name ca)
(resid 151 and name c) (resid 152 and name n) 1.0 170.0 50.0 2

!Ser-152
assign (resid 152 and name n) (resid 152 and name ca)
(resid 152 and name c) (resid 153 and name n) 1.0 165.0 50.0 2

!chi-1 restraints

!Pro-2
assign (resid 2 and name n) (resid 2 and name ca)
(resid 2 and name cb) (resid 2 and name cg) 1.0 -5.0 30.0 2

!Ser-5
assign (resid 5 and name n) (resid 5 and name ca)
(resid 5 and name cb) (resid 5 and name og) 1.0 -55.0 20.0 2

!Asn-7
assign (resid 7 and name n) (resid 7 and name ca)
(resid 7 and name cb) (resid 7 and name cg) 1.0 -60.0 30.0 2

!Cys-8
assign (resid 8 and name n) (resid 8 and name ca)
(resid 8 and name cb) (resid 8 and name sg) 1.0 65.0 35.0 2

!Thr-9
assign (resid 9 and name n) (resid 9 and name ca)
(resid 9 and name cb) (resid 9 and name og1) 1.0 65.0 35.0 2

!Leu-10
assign (resid 10 and name n) (resid 10 and name ca)
(resid 10 and name cb) (resid 10 and name cg) 1.0 -70.0 40.0 2

!Asp-12
assign (resid 12 and name n) (resid 12 and name ca)
(resid 12 and name cb) (resid 12 and name cg) 1.0 60.0 20.0 2

!Ser-13
assign (resid 13 and name n) (resid 13 and name ca)
(resid 13 and name cb) (resid 13 and name og) 1.0 70.0 20.0 2

!Gln-14
assign (resid 14 and name n) (resid 14 and name ca)
(resid 14 and name cb) (resid 14 and name cg) 1.0 180.0 35.0 2

!Gln-15
assign (resid 15 and name n) (resid 15 and name ca)
(resid 15 and name cb) (resid 15 and name cg) 1.0 -150.0 35.0 2

!Lys-16
assign (resid 16 and name n) (resid 16 and name ca)
(resid 16 and name cb) (resid 16 and name cg) 1.0 -60.0 40.0 2

!Ser-17
assign (resid 17 and name n) (resid 17 and name ca)
(resid 17 and name cb) (resid 17 and name og) 1.0 -60.0 20.0 2

!Leu-18
assign (resid 18 and name n) (resid 18 and name ca)
(resid 18 and name cb) (resid 18 and name cg) 1.0 -75.0 30.0 2

!Val-19
assign (resid 19 and name n) (resid 19 and name ca)
(resid 19 and name cb) (resid 19 and name cg1) 1.0 -55.0 40.0 2

!Pro-23
assign (resid 23 and name n) (resid 23 and name ca)
(resid 23 and name cb) (resid 23 and name cg) 1.0 0.0 25.0 2

!Tyr-24
assign (resid 24 and name n) (resid 24 and name ca)
(resid 24 and name cb) (resid 24 and name cg) 1.0 -45.0 30.0 2

!Glu-25
assign (resid 25 and name n) (resid 25 and name ca)
(resid 25 and name cb) (resid 25 and name cg) 1.0 -55.0 30.0 2

!Leu-26
assign (resid 26 and name n) (resid 26 and name ca)
(resid 26 and name cb) (resid 26 and name cg) 1.0 -75.0 30.0 2

!Leu-29
assign (resid 29 and name n) (resid 29 and name ca)
(resid 29 and name cb) (resid 29 and name cg) 1.0 60.0 20.0 2

!His-30
assign (resid 30 and name n) (resid 30 and name ca)
(resid 30 and name cb) (resid 30 and name cg) 1.0 -45.0 30.0 2

!Leu-31
assign (resid 31 and name n) (resid 31 and name ca)
(resid 31 and name cb) (resid 31 and name cg) 1.0 180.0 20.0 2

!Gln-32
assign (resid 32 and name n) (resid 32 and name ca)
(resid 32 and name cb) (resid 32 and name cg) 1.0 165.0 30.0 2

!Asp-35
assign (resid 35 and name n) (resid 35 and name ca)
(resid 35 and name cb) (resid 35 and name cg) 1.0 175.0 30.0 2

!Val-40
assign (resid 40 and name n) (resid 40 and name ca)
(resid 40 and name cb) (resid 40 and name cg1) 1.0 180.0 25.0 2

!Val-41
assign (resid 41 and name n) (resid 41 and name ca)
(resid 41 and name cb) (resid 41 and name cg1) 1.0 180.0 25.0 2

!Phe-42
assign (resid 42 and name n) (resid 42 and name ca)
(resid 42 and name cb) (resid 42 and name cg) 1.0 -65.0 30.0 2

!Ser-43
assign (resid 43 and name n) (resid 43 and name ca)
(resid 43 and name cb) (resid 43 and name og) 1.0 185.0 20.0 2

!Met-44
assign (resid 44 and name n) (resid 44 and name ca)
(resid 44 and name cb) (resid 44 and name cg) 1.0 165.0 30.0 2

!Ser-45
assign (resid 45 and name n) (resid 45 and name ca)
(resid 45 and name cb) (resid 45 and name og) 1.0 -65.0 30.0 2

!Phe-46
assign (resid 46 and name n) (resid 46 and name ca)
(resid 46 and name cb) (resid 46 and name cg) 1.0 -100.0 55.0 2

!Val-47
assign (resid 47 and name n) (resid 47 and name ca)
(resid 47 and name cb) (resid 47 and name cg1) 1.0 -60.0 30.0 2

!Gln-50
assign (resid 50 and name n) (resid 50 and name ca)
(resid 50 and name cb) (resid 50 and name cg) 1.0 -60.0 25.0 2

!Ser-52
assign (resid 52 and name n) (resid 52 and name ca)
(resid 52 and name cb) (resid 52 and name og) 1.0 -160.0 35.0 2

!Lys-55
assign (resid 55 and name n) (resid 55 and name ca)
(resid 55 and name cb) (resid 55 and name cg) 1.0 -60.0 20.0 2

!Ile-56
assign (resid 56 and name n) (resid 56 and name ca)
(resid 56 and name cb) (resid 56 and name cg1) 1.0 -70.0 25.0 2

!Pro-57
assign (resid 57 and name n) (resid 57 and name ca)
(resid 57 and name cb) (resid 57 and name cg) 1.0 -5.0 30.0 2

!Val-58
assign (resid 58 and name n) (resid 58 and name ca)
(resid 58 and name cb) (resid 58 and name cg1) 1.0 -75.0 40.0 2

!Leu-60
assign (resid 60 and name n) (resid 60 and name ca)
(resid 60 and name cb) (resid 60 and name cg) 1.0 -45.0 30.0 2

!Leu-62
assign (resid 62 and name n) (resid 62 and name ca)
(resid 62 and name cb) (resid 62 and name cg) 1.0 -60.0 20.0 2

!Glu-64
assign (resid 64 and name n) (resid 64 and name ca)
(resid 64 and name cb) (resid 64 and name cg) 1.0 -60.0 20.0 2

!Lys-65
assign (resid 65 and name n) (resid 65 and name ca)
(resid 65 and name cb) (resid 65 and name cg) 1.0 -45.0 30.0 2

!Asn-66
assign (resid 66 and name n) (resid 66 and name ca)
(resid 66 and name cb) (resid 66 and name cg) 1.0 60.0 20.0 2

!Leu-67
assign (resid 67 and name n) (resid 67 and name ca)
(resid 67 and name cb) (resid 67 and name cg) 1.0 -70.0 35.0 2

!Tyr-68
assign (resid 68 and name n) (resid 68 and name ca)
(resid 68 and name cb) (resid 68 and name cg) 1.0 -70.0 45.0 2

!Leu-69
assign (resid 69 and name n) (resid 69 and name ca)
(resid 69 and name cb) (resid 69 and name cg) 1.0 -55.0 20.0 2

!Ser-70
assign (resid 70 and name n) (resid 70 and name ca)
(resid 70 and name cb) (resid 70 and name og) 1.0 60.0 20.0 2

!Cys-71
assign (resid 71 and name n) (resid 71 and name ca)
(resid 71 and name cb) (resid 71 and name sg) 1.0 -50.0 25.0 2

!Val-72
assign (resid 72 and name n) (resid 72 and name ca)
(resid 72 and name cb) (resid 72 and name cg1) 1.0 -65.0 30.0 2

!Lys-74
assign (resid 74 and name n) (resid 74 and name ca)
(resid 74 and name cb) (resid 74 and name cg) 1.0 -55.0 30.0 2

!Asp-75
assign (resid 75 and name n) (resid 75 and name ca)
(resid 75 and name cb) (resid 75 and name cg) 1.0 -60.0 20.0 2

!Asp-76
assign (resid 76 and name n) (resid 76 and name ca)
(resid 76 and name cb) (resid 76 and name cg) 1.0 -60.0 20.0 2

!Pro-78
assign (resid 78 and name n) (resid 78 and name ca)
(resid 78 and name cb) (resid 78 and name cg) 1.0 -5.0 30.0 2

!Thr-79
assign (resid 79 and name n) (resid 79 and name ca)
(resid 79 and name cb) (resid 79 and name og1) 1.0 -65.0 20.0 2

!Leu-80
assign (resid 80 and name n) (resid 80 and name ca)
(resid 80 and name cb) (resid 80 and name cg) 1.0 180.0 20.0 2

!Leu-82
assign (resid 82 and name n) (resid 82 and name ca)
(resid 82 and name cb) (resid 82 and name cg) 1.0 -45.0 30.0 2

!Val-85
assign (resid 85 and name n) (resid 85 and name ca)
(resid 85 and name cb) (resid 85 and name cg1) 1.0 -65.0 30.0 2

!Asp-86
assign (resid 86 and name n) (resid 86 and name ca)
(resid 86 and name cb) (resid 86 and name cg) 1.0 185.0 20.0 2

!Pro-87
assign (resid 87 and name n) (resid 87 and name ca)
(resid 87 and name cb) (resid 87 and name cg) 1.0 5.0 30.0 2

!Lys-88
assign (resid 88 and name n) (resid 88 and name ca)
(resid 88 and name cb) (resid 88 and name cg) 1.0 -65.0 20.0 2

!Asn-89
assign (resid 89 and name n) (resid 89 and name ca)
(resid 89 and name cb) (resid 89 and name cg) 1.0 -45.0 30.0 2

!Tyr-90
assign (resid 90 and name n) (resid 90 and name ca)
(resid 90 and name cb) (resid 90 and name cg) 1.0 -55.0 20.0 2

!Pro-91
assign (resid 91 and name n) (resid 91 and name ca)
(resid 91 and name cb) (resid 91 and name cg) 1.0 5.0 30.0 2

!Lys-94
assign (resid 94 and name n) (resid 94 and name ca)
(resid 94 and name cb) (resid 94 and name cg) 1.0 175.0 20.0 2

!Met-95
assign (resid 95 and name n) (resid 95 and name ca)
(resid 95 and name cb) (resid 95 and name cg) 1.0 -60.0 25.0 2

!Glu-96
assign (resid 96 and name n) (resid 96 and name ca)
(resid 96 and name cb) (resid 96 and name cg) 1.0 225.0 90.0 2

!Lys-97
assign (resid 97 and name n) (resid 97 and name ca)
(resid 97 and name cb) (resid 97 and name cg) 1.0 -60.0 40.0 2

!Phe-99
assign (resid 99 and name n) (resid 99 and name ca)
(resid 99 and name cb) (resid 99 and name cg) 1.0 -55.0 20.0 2

!Val-100
assign (resid 100 and name n) (resid 100 and name ca)
(resid 100 and name cb) (resid 100 and name cg1) 1.0 180.0 25.0 2

!Asn-102
assign (resid 102 and name n) (resid 102 and name ca)
(resid 102 and name cb) (resid 102 and name cg) 1.0 -40.0 35.0 2

!Ile-104
assign (resid 104 and name n) (resid 104 and name ca)
(resid 104 and name cb) (resid 104 and name cg1) 1.0 -60.0 20.0 2

!Glu-105
assign (resid 105 and name n) (resid 105 and name ca)
(resid 105 and name cb) (resid 105 and name cg) 1.0 -70.0 35.0 2

!Ile-106
assign (resid 106 and name n) (resid 106 and name ca)
(resid 106 and name cb) (resid 106 and name cg1) 1.0 -60.0 20.0 2

!Leu-110
assign (resid 110 and name n) (resid 110 and name ca)
(resid 110 and name cb) (resid 110 and name cg) 1.0 -45.0 20.0 2

!Ser-114
assign (resid 114 and name n) (resid 114 and name ca)
(resid 114 and name cb) (resid 114 and name og) 1.0 170.0 25.0 2

!Glu-116
assign (resid 116 and name n) (resid 116 and name ca)
(resid 116 and name cb) (resid 116 and name cg) 1.0 -160.0 30.0 2

!Pro-118
assign (resid 118 and name n) (resid 118 and name ca)
(resid 118 and name cb) (resid 118 and name cg) 1.0 -10.0 20.0 2

!Asn-119
assign (resid 119 and name n) (resid 119 and name ca)
(resid 119 and name cb) (resid 119 and name cg) 1.0 -60.0 30.0 2

!Trp-120
assign (resid 120 and name n) (resid 120 and name ca)
(resid 120 and name cb) (resid 120 and name cg) 1.0 -80.0 55.0 2

!Tyr-121
assign (resid 121 and name n) (resid 121 and name ca)
(resid 121 and name cb) (resid 121 and name cg) 1.0 -45.0 30.0 2

!Ile-22
assign (resid 122 and name n) (resid 122 and name ca)
(resid 122 and name cb) (resid 122 and name cg1) 1.0 -70.0 25.0 2

!Ser-123
assign (resid 123 and name n) (resid 123 and name ca)
(resid 123 and name cb) (resid 123 and name og) 1.0 -45.0 30.0 2

!Thr-124
assign (resid 124 and name n) (resid 124 and name ca)
(resid 124 and name cb) (resid 124 and name og1) 1.0 60.0 30.0 2

!Ser-125
assign (resid 125 and name n) (resid 125 and name ca)
(resid 125 and name cb) (resid 125 and name og) 1.0 180.0 20.0 2

!Glu-126
assign (resid 126 and name n) (resid 126 and name ca)
(resid 126 and name cb) (resid 126 and name cg) 1.0 175.0 30.0 2

!Glu-128
assign (resid 128 and name n) (resid 128 and name ca)
(resid 128 and name cb) (resid 128 and name cg) 1.0 -60.0 20.0 2

!Asn-29
assign (resid 129 and name n) (resid 129 and name ca)
(resid 129 and name cb) (resid 129 and name cg) 1.0 -120.0 75.0 2

!Pro-131
assign (resid 131 and name n) (resid 131 and name ca)
(resid 131 and name cb) (resid 131 and name cg) 1.0 -5.0 20.0 2

!Val-132
assign (resid 132 and name n) (resid 132 and name ca)
(resid 132 and name cb) (resid 132 and name cg1) 1.0 180.0 25.0 2

!Phe-133
assign (resid 133 and name n) (resid 133 and name ca)
(resid 133 and name cb) (resid 133 and name cg) 1.0 60.0 20.0 2

!Leu-134
assign (resid 134 and name n) (resid 134 and name ca)
(resid 134 and name cb) (resid 134 and name cg) 1.0 190.0 25.0 2

!Thr-137
assign (resid 137 and name n) (resid 137 and name ca)
(resid 137 and name cb) (resid 137 and name og1) 1.0 -65.0 30.0 2

!Glu-141
assign (resid 141 and name n) (resid 141 and name ca)
(resid 141 and name cb) (resid 141 and name cg) 1.0 195.0 20.0 2

!Asp-142
assign (resid 142 and name n) (resid 142 and name ca)
(resid 142 and name cb) (resid 142 and name cg) 1.0 -70.0 35.0 2

!Thr-144
assign (resid 144 and name n) (resid 144 and name ca)
(resid 144 and name cb) (resid 144 and name og1) 1.0 50.0 20.0 2

!Asp-145
assign (resid 145 and name n) (resid 145 and name ca)
(resid 145 and name cb) (resid 145 and name cg) 1.0 65.0 20.0 2

!Phe-146
assign (resid 146 and name n) (resid 146 and name ca)
(resid 146 and name cb) (resid 146 and name cg) 1.0 -65.0 30.0 2

!Thr-147
assign (resid 147 and name n) (resid 147 and name ca)
(resid 147 and name cb) (resid 147 and name og1) 1.0 60.0 25.0 2

!Phe-150
assign (resid 150 and name n) (resid 150 and name ca)
(resid 150 and name cb) (resid 150 and name cg) 1.0 -60.0 30.0 2

!Val-151
assign (resid 151 and name n) (resid 151 and name ca)
(resid 151 and name cb) (resid 151 and name cg1) 1.0 -60.0 30.0 2




  Entry H atom name         Submitted Coord H atom name
    1   1H    ALA   1          1H        ALA   1  39.289 -22.254   1.351
    2   2H    ALA   1          2H        ALA   1  40.845 -21.716   1.766
    3   3H    ALA   1          3H        ALA   1  40.379 -23.313   2.108
    4    HA   ALA   1           HA       ALA   1  39.968 -22.524   4.150
    5   1HB   ALA   1          1HB       ALA   1  40.978 -20.291   3.381
    6   2HB   ALA   1          2HB       ALA   1  39.320 -19.777   3.089
    7   3HB   ALA   1          3HB       ALA   1  39.829 -20.226   4.713
    8    HA   PRO   2           HA       PRO   2  35.570 -22.907   2.777
    9   1HB   PRO   2          1HB       PRO   2  35.307 -25.429   4.039
   10   2HB   PRO   2          2HB       PRO   2  35.471 -25.137   2.308
   11   1HG   PRO   2          1HG       PRO   2  37.434 -26.296   4.121
   12   2HG   PRO   2          2HG       PRO   2  37.566 -26.082   2.376
   13   1HD   PRO   2          1HD       PRO   2  38.826 -24.517   4.493
   14   2HD   PRO   2          2HD       PRO   2  39.077 -24.397   2.744
   15    H    VAL   3           H        VAL   3  36.823 -21.616   5.010
   16    HA   VAL   3           HA       VAL   3  34.865 -22.221   7.179
   17    HB   VAL   3           HB       VAL   3  37.092 -20.918   8.309
   18   1HG1  VAL   3          1HG1      VAL   3  35.628 -22.643   9.347
   19   2HG1  VAL   3          2HG1      VAL   3  36.364 -23.857   8.306
   20   3HG1  VAL   3          3HG1      VAL   3  37.337 -23.030   9.520
   21   1HG2  VAL   3          1HG2      VAL   3  38.334 -21.553   6.237
   22   2HG2  VAL   3          2HG2      VAL   3  38.964 -22.356   7.672
   23   3HG2  VAL   3          3HG2      VAL   3  37.935 -23.241   6.550
   24    H    ARG   4           H        ARG   4  35.193 -20.148   8.790
   25    HA   ARG   4           HA       ARG   4  35.024 -17.683   7.134
   26   1HB   ARG   4          1HB       ARG   4  32.946 -18.624   9.125
   27   2HB   ARG   4          2HB       ARG   4  32.982 -17.015   8.414
   28   1HG   ARG   4          1HG       ARG   4  32.849 -18.046   6.148
   29   2HG   ARG   4          2HG       ARG   4  32.721 -19.632   6.901
   30   1HD   ARG   4          1HD       ARG   4  30.777 -18.276   8.258
   31   2HD   ARG   4          2HD       ARG   4  30.699 -17.474   6.690
   32    HE   ARG   4           HE       ARG   4  30.768 -20.221   6.129
   33   1HH1  ARG   4          1HH1      ARG   4  28.786 -17.716   7.296
   34   2HH1  ARG   4          2HH1      ARG   4  27.337 -18.663   7.347
   35   1HH2  ARG   4          1HH2      ARG   4  28.994 -21.612   6.430
   36   2HH2  ARG   4          2HH2      ARG   4  27.458 -20.929   6.844
   37    H    SER   5           H        SER   5  36.595 -16.457   7.978
   38    HA   SER   5           HA       SER   5  37.264 -16.660  10.820
   39   1HB   SER   5          1HB       SER   5  38.361 -14.544   9.020
   40   2HB   SER   5          2HB       SER   5  39.175 -15.424  10.315
   41    HG   SER   5           HG       SER   5  38.615 -17.341   8.927
   42    H    LEU   6           H        LEU   6  37.429 -14.562  12.087
   43    HA   LEU   6           HA       LEU   6  35.422 -12.559  11.300
   44   1HB   LEU   6          1HB       LEU   6  34.564 -14.723  12.693
   45   2HB   LEU   6          2HB       LEU   6  35.023 -13.662  14.010
   46    HG   LEU   6           HG       LEU   6  33.555 -11.867  13.063
   47   1HD1  LEU   6          1HD1      LEU   6  33.220 -13.969  10.929
   48   2HD1  LEU   6          2HD1      LEU   6  31.798 -13.022  11.341
   49   3HD1  LEU   6          3HD1      LEU   6  33.241 -12.217  10.771
   50   1HD2  LEU   6          1HD2      LEU   6  32.765 -14.500  14.149
   51   2HD2  LEU   6          2HD2      LEU   6  32.322 -12.895  14.690
   52   3HD2  LEU   6          3HD2      LEU   6  31.430 -13.660  13.391
   53    H    ASN   7           H        ASN   7  36.460 -10.714  11.655
   54    HA   ASN   7           HA       ASN   7  38.600 -10.496  13.565
   55   1HB   ASN   7          1HB       ASN   7  37.120  -8.288  12.116
   56   2HB   ASN   7          2HB       ASN   7  38.702  -8.154  12.877
   57   1HD2  ASN   7          1HD2      ASN   7  38.551 -10.609   9.571
   58   2HD2  ASN   7          2HD2      ASN   7  37.308 -10.699  10.720
   59    H    CYS   8           H        CYS   8  38.536  -9.698  15.622
   60    HA   CYS   8           HA       CYS   8  36.338  -8.125  16.630
   61   1HB   CYS   8          1HB       CYS   8  35.340  -9.771  18.095
   62   2HB   CYS   8          2HB       CYS   8  35.180 -10.256  16.432
   63    HG   CYS   8           HG       CYS   8  36.236 -12.378  17.006
   64    H    THR   9           H        THR   9  36.771  -7.283  18.637
   65    HA   THR   9           HA       THR   9  39.444  -7.965  19.768
   66    HB   THR   9           HB       THR   9  39.114  -5.806  21.067
   67    HG1  THR   9           HG1      THR   9  36.921  -5.344  19.396
   68   1HG2  THR   9          1HG2      THR   9  39.423  -6.061  18.213
   69   2HG2  THR   9          2HG2      THR   9  38.388  -4.674  18.539
   70   3HG2  THR   9          3HG2      THR   9  39.999  -4.756  19.245
   71    H    LEU  10           H        LEU  10  39.538  -7.917  22.228
   72    HA   LEU  10           HA       LEU  10  37.065  -9.133  23.369
   73   1HB   LEU  10          1HB       LEU  10  39.900 -10.101  23.521
   74   2HB   LEU  10          2HB       LEU  10  38.754 -10.516  24.782
   75    HG   LEU  10           HG       LEU  10  38.058 -10.949  21.869
   76   1HD1  LEU  10          1HD1      LEU  10  39.711 -12.706  23.700
   77   2HD1  LEU  10          2HD1      LEU  10  38.850 -13.358  22.311
   78   3HD1  LEU  10          3HD1      LEU  10  40.114 -12.157  22.078
   79   1HD2  LEU  10          1HD2      LEU  10  37.139 -12.154  24.506
   80   2HD2  LEU  10          2HD2      LEU  10  36.180 -11.205  23.384
   81   3HD2  LEU  10          3HD2      LEU  10  36.690 -12.821  22.943
   82    H    ARG  11           H        ARG  11  36.404  -8.357  25.207
   83    HA   ARG  11           HA       ARG  11  38.166  -6.626  26.816
   84   1HB   ARG  11          1HB       ARG  11  35.987  -5.792  25.300
   85   2HB   ARG  11          2HB       ARG  11  35.327  -5.945  26.923
   86   1HG   ARG  11          1HG       ARG  11  37.140  -4.520  27.797
   87   2HG   ARG  11          2HG       ARG  11  37.814  -4.369  26.180
   88   1HD   ARG  11          1HD       ARG  11  34.988  -3.543  26.928
   89   2HD   ARG  11          2HD       ARG  11  36.349  -2.428  26.854
   90    HE   ARG  11           HE       ARG  11  36.308  -3.730  24.374
   91   1HH1  ARG  11          1HH1      ARG  11  33.446  -3.841  24.447
   92   2HH1  ARG  11          2HH1      ARG  11  32.929  -2.266  23.945
   93   1HH2  ARG  11          1HH2      ARG  11  34.450  -0.511  24.012
   94   2HH2  ARG  11          2HH2      ARG  11  36.063  -0.821  24.564
   95    H    ASP  12           H        ASP  12  37.950  -6.883  29.055
   96    HA   ASP  12           HA       ASP  12  36.523  -9.304  29.895
   97   1HB   ASP  12          1HB       ASP  12  37.682  -9.119  31.934
   98   2HB   ASP  12          2HB       ASP  12  38.817  -8.449  30.765
   99    H    SER  13           H        SER  13  35.230  -9.127  32.018
  100    HA   SER  13           HA       SER  13  32.918  -7.557  31.520
  101   1HB   SER  13          1HB       SER  13  32.267  -8.250  33.872
  102   2HB   SER  13          2HB       SER  13  32.758  -9.601  32.832
  103    HG   SER  13           HG       SER  13  34.221  -8.254  34.830
  104    H    GLN  14           H        GLN  14  35.886  -6.594  32.748
  105    HA   GLN  14           HA       GLN  14  34.712  -4.428  34.415
  106   1HB   GLN  14          1HB       GLN  14  36.722  -5.866  35.131
  107   2HB   GLN  14          2HB       GLN  14  37.643  -4.927  33.972
  108   1HG   GLN  14          1HG       GLN  14  37.928  -3.443  35.682
  109   2HG   GLN  14          2HG       GLN  14  36.269  -2.958  35.345
  110   1HE2  GLN  14          1HE2      GLN  14  37.110  -5.156  38.680
  111   2HE2  GLN  14          2HE2      GLN  14  38.301  -4.898  37.498
  112    H    GLN  15           H        GLN  15  35.330  -4.887  31.261
  113    HA   GLN  15           HA       GLN  15  35.191  -3.303  29.507
  114   1HB   GLN  15          1HB       GLN  15  34.402  -1.746  31.512
  115   2HB   GLN  15          2HB       GLN  15  35.989  -1.026  31.261
  116   1HG   GLN  15          1HG       GLN  15  35.262  -1.121  28.706
  117   2HG   GLN  15          2HG       GLN  15  33.643  -1.126  29.401
  118   1HE2  GLN  15          1HE2      GLN  15  33.905   2.207  30.685
  119   2HE2  GLN  15          2HE2      GLN  15  33.107   0.722  30.888
  120    H    LYS  16           H        LYS  16  37.806  -4.248  31.198
  121    HA   LYS  16           HA       LYS  16  39.763  -2.436  29.959
  122   1HB   LYS  16          1HB       LYS  16  40.255  -5.040  31.390
  123   2HB   LYS  16          2HB       LYS  16  41.448  -3.806  31.034
  124   1HG   LYS  16          1HG       LYS  16  40.103  -2.178  32.389
  125   2HG   LYS  16          2HG       LYS  16  39.033  -3.490  32.839
  126   1HD   LYS  16          1HD       LYS  16  42.003  -3.323  33.434
  127   2HD   LYS  16          2HD       LYS  16  40.702  -3.153  34.602
  128   1HE   LYS  16          1HE       LYS  16  39.974  -5.522  33.710
  129   2HE   LYS  16          2HE       LYS  16  41.648  -5.623  33.179
  130   1HZ   LYS  16          1HZ       LYS  16  41.523  -4.637  35.822
  131   2HZ   LYS  16          2HZ       LYS  16  40.661  -6.096  35.712
  132   3HZ   LYS  16          3HZ       LYS  16  42.289  -6.034  35.233
  133    H    SER  17           H        SER  17  41.287  -3.064  28.402
  134    HA   SER  17           HA       SER  17  40.257  -5.217  26.576
  135   1HB   SER  17          1HB       SER  17  41.957  -2.775  25.948
  136   2HB   SER  17          2HB       SER  17  41.385  -3.963  24.764
  137    HG   SER  17           HG       SER  17  40.057  -1.907  25.745
  138    H    LEU  18           H        LEU  18  41.977  -6.235  25.211
  139    HA   LEU  18           HA       LEU  18  44.256  -7.007  26.964
  140   1HB   LEU  18          1HB       LEU  18  43.442  -8.346  24.385
  141   2HB   LEU  18          2HB       LEU  18  44.368  -9.028  25.716
  142    HG   LEU  18           HG       LEU  18  41.423  -8.282  25.742
  143   1HD1  LEU  18          1HD1      LEU  18  42.627 -10.580  24.866
  144   2HD1  LEU  18          2HD1      LEU  18  42.375 -10.960  26.567
  145   3HD1  LEU  18          3HD1      LEU  18  41.006 -10.521  25.550
  146   1HD2  LEU  18          1HD2      LEU  18  43.331  -9.046  27.957
  147   2HD2  LEU  18          2HD2      LEU  18  42.193  -7.706  27.912
  148   3HD2  LEU  18          3HD2      LEU  18  41.603  -9.352  28.091
  149    H    VAL  19           H        VAL  19  46.335  -6.557  26.416
  150    HA   VAL  19           HA       VAL  19  46.845  -5.429  23.692
  151    HB   VAL  19           HB       VAL  19  47.901  -3.560  24.526
  152   1HG1  VAL  19          1HG1      VAL  19  45.506  -3.795  25.425
  153   2HG1  VAL  19          2HG1      VAL  19  46.243  -4.220  26.967
  154   3HG1  VAL  19          3HG1      VAL  19  46.542  -2.638  26.254
  155   1HG2  VAL  19          1HG2      VAL  19  48.551  -5.280  26.934
  156   2HG2  VAL  19          2HG2      VAL  19  49.677  -4.568  25.780
  157   3HG2  VAL  19          3HG2      VAL  19  48.823  -3.544  26.928
  158    H    MET  20           H        MET  20  48.718  -6.061  22.693
  159    HA   MET  20           HA       MET  20  50.114  -8.346  23.876
  160   1HB   MET  20          1HB       MET  20  51.382  -8.378  21.745
  161   2HB   MET  20          2HB       MET  20  49.643  -8.361  21.486
  162   1HG   MET  20          1HG       MET  20  49.868  -6.524  20.251
  163   2HG   MET  20          2HG       MET  20  50.403  -5.666  21.671
  164   1HE   MET  20          1HE       MET  20  51.451  -4.588  19.490
  165   2HE   MET  20          2HE       MET  20  51.981  -4.527  18.214
  166   3HE   MET  20          3HE       MET  20  52.490  -5.800  18.364
  167    H    SER  21           H        SER  21  51.214  -7.561  25.656
  168    HA   SER  21           HA       SER  21  52.964  -5.246  25.511
  169   1HB   SER  21          1HB       SER  21  51.820  -6.304  27.603
  170   2HB   SER  21          2HB       SER  21  53.217  -7.397  27.606
  171    HG   SER  21           HG       SER  21  53.147  -4.581  27.784
  172    H    GLY  22           H        GLY  22  53.311  -8.671  25.015
  173   1HA   GLY  22          1HA       GLY  22  56.144  -8.209  24.217
  174   2HA   GLY  22          2HA       GLY  22  55.750  -9.555  25.280
  175    HA   PRO  23           HA       PRO  23  55.577 -10.748  20.711
  176   1HB   PRO  23          1HB       PRO  23  57.123 -13.062  21.479
  177   2HB   PRO  23          2HB       PRO  23  57.545 -11.794  20.341
  178   1HG   PRO  23          1HG       PRO  23  58.632 -12.189  22.972
  179   2HG   PRO  23          2HG       PRO  23  58.990 -10.863  21.865
  180   1HD   PRO  23          1HD       PRO  23  57.424 -10.776  24.295
  181   2HD   PRO  23          2HD       PRO  23  57.815  -9.437  23.203
  182    H    TYR  24           H        TYR  24  55.868 -13.083  23.352
  183    HA   TYR  24           HA       TYR  24  53.323 -14.363  22.446
  184   1HB   TYR  24          1HB       TYR  24  55.461 -15.595  24.196
  185   2HB   TYR  24          2HB       TYR  24  54.133 -16.421  23.384
  186    HD1  TYR  24           HD1      TYR  24  54.088 -16.343  20.807
  187    HD2  TYR  24           HD2      TYR  24  57.526 -15.284  23.077
  188    HE1  TYR  24           HE1      TYR  24  55.493 -16.648  18.822
  189    HE2  TYR  24           HE2      TYR  24  58.931 -15.588  21.091
  190    HH   TYR  24           HH       TYR  24  58.026 -17.227  18.428
  191    H    GLU  25           H        GLU  25  53.342 -12.028  24.103
  192    HA   GLU  25           HA       GLU  25  51.993 -13.184  26.484
  193   1HB   GLU  25          1HB       GLU  25  54.308 -11.342  26.485
  194   2HB   GLU  25          2HB       GLU  25  53.109 -11.175  27.755
  195   1HG   GLU  25          1HG       GLU  25  53.398 -13.527  28.375
  196   2HG   GLU  25          2HG       GLU  25  54.501 -13.778  27.025
  197    H    LEU  26           H        LEU  26  50.139 -12.200  27.017
  198    HA   LEU  26           HA       LEU  26  49.525  -9.550  25.758
  199   1HB   LEU  26          1HB       LEU  26  47.666 -11.850  26.414
  200   2HB   LEU  26          2HB       LEU  26  47.131 -10.274  25.844
  201    HG   LEU  26           HG       LEU  26  49.243 -11.623  24.227
  202   1HD1  LEU  26          1HD1      LEU  26  46.349 -12.538  24.364
  203   2HD1  LEU  26          2HD1      LEU  26  47.435 -12.932  23.036
  204   3HD1  LEU  26          3HD1      LEU  26  47.781 -13.519  24.659
  205   1HD2  LEU  26          1HD2      LEU  26  48.005  -9.356  23.831
  206   2HD2  LEU  26          2HD2      LEU  26  48.202 -10.444  22.461
  207   3HD2  LEU  26          3HD2      LEU  26  46.660 -10.361  23.308
  208    H    LYS  27           H        LYS  27  48.220  -8.086  27.044
  209    HA   LYS  27           HA       LYS  27  48.047  -8.810  29.938
  210   1HB   LYS  27          1HB       LYS  27  49.484  -6.468  28.725
  211   2HB   LYS  27          2HB       LYS  27  48.751  -6.308  30.317
  212   1HG   LYS  27          1HG       LYS  27  50.018  -8.355  31.048
  213   2HG   LYS  27          2HG       LYS  27  50.811  -8.384  29.481
  214   1HD   LYS  27          1HD       LYS  27  52.018  -6.420  29.921
  215   2HD   LYS  27          2HD       LYS  27  50.879  -5.872  31.142
  216   1HE   LYS  27          1HE       LYS  27  51.692  -7.385  32.754
  217   2HE   LYS  27          2HE       LYS  27  52.439  -8.417  31.543
  218   1HZ   LYS  27          1HZ       LYS  27  53.351  -5.644  31.940
  219   2HZ   LYS  27          2HZ       LYS  27  53.924  -6.904  32.922
  220   3HZ   LYS  27          3HZ       LYS  27  54.182  -6.952  31.245
  221    H    ALA  28           H        ALA  28  46.302  -8.027  30.998
  222    HA   ALA  28           HA       ALA  28  44.331  -6.512  29.338
  223   1HB   ALA  28          1HB       ALA  28  44.083  -8.810  30.956
  224   2HB   ALA  28          2HB       ALA  28  43.254  -7.520  31.822
  225   3HB   ALA  28          3HB       ALA  28  42.782  -7.919  30.174
  226    H    LEU  29           H        LEU  29  44.175  -4.390  29.782
  227    HA   LEU  29           HA       LEU  29  44.167  -3.510  32.588
  228   1HB   LEU  29          1HB       LEU  29  45.921  -1.724  32.046
  229   2HB   LEU  29          2HB       LEU  29  46.503  -3.366  32.256
  230    HG   LEU  29           HG       LEU  29  46.413  -3.669  29.751
  231   1HD1  LEU  29          1HD1      LEU  29  45.475  -0.820  29.961
  232   2HD1  LEU  29          2HD1      LEU  29  46.475  -1.278  28.590
  233   3HD1  LEU  29          3HD1      LEU  29  44.942  -2.089  28.866
  234   1HD2  LEU  29          1HD2      LEU  29  48.509  -3.062  30.919
  235   2HD2  LEU  29          2HD2      LEU  29  48.436  -2.331  29.319
  236   3HD2  LEU  29          3HD2      LEU  29  48.106  -1.356  30.747
  237    H    HIS  30           H        HIS  30  43.934  -1.016  32.651
  238    HA   HIS  30           HA       HIS  30  41.597  -0.331  31.073
  239   1HB   HIS  30          1HB       HIS  30  43.334   1.379  32.881
  240   2HB   HIS  30          2HB       HIS  30  41.778   1.871  32.220
  241    HD1  HIS  30           HD1      HIS  30  43.196  -0.470  34.659
  242    HD2  HIS  30           HD2      HIS  30  39.519   0.730  33.430
  243    HE1  HIS  30           HE1      HIS  30  41.662  -1.380  36.304
  244    H    LEU  31           H        LEU  31  41.843   0.069  28.956
  245    HA   LEU  31           HA       LEU  31  44.175   1.720  28.077
  246   1HB   LEU  31          1HB       LEU  31  43.867  -0.617  27.128
  247   2HB   LEU  31          2HB       LEU  31  42.403  -0.025  26.355
  248    HG   LEU  31           HG       LEU  31  43.992   1.882  25.458
  249   1HD1  LEU  31          1HD1      LEU  31  45.864   0.625  26.955
  250   2HD1  LEU  31          2HD1      LEU  31  46.055  -0.274  25.456
  251   3HD1  LEU  31          3HD1      LEU  31  46.266   1.473  25.467
  252   1HD2  LEU  31          1HD2      LEU  31  43.894  -0.988  24.489
  253   2HD2  LEU  31          2HD2      LEU  31  42.900   0.361  23.949
  254   3HD2  LEU  31          3HD2      LEU  31  44.612   0.307  23.537
  255    H    GLN  32           H        GLN  32  43.803   3.724  27.342
  256    HA   GLN  32           HA       GLN  32  41.299   4.422  26.009
  257   1HB   GLN  32          1HB       GLN  32  40.629   4.534  28.391
  258   2HB   GLN  32          2HB       GLN  32  41.940   5.666  28.698
  259   1HG   GLN  32          1HG       GLN  32  40.923   7.383  27.458
  260   2HG   GLN  32          2HG       GLN  32  39.938   6.259  26.525
  261   1HE2  GLN  32          1HE2      GLN  32  38.498   7.789  29.967
  262   2HE2  GLN  32          2HE2      GLN  32  39.972   8.296  29.294
  263    H    GLY  33           H        GLY  33  41.303   6.846  25.498
  264   1HA   GLY  33          1HA       GLY  33  42.446   8.760  24.717
  265   2HA   GLY  33          2HA       GLY  33  43.859   8.227  25.627
  266    H    GLN  34           H        GLN  34  44.779   9.098  23.457
  267    HA   GLN  34           HA       GLN  34  44.488   7.639  21.050
  268   1HB   GLN  34          1HB       GLN  34  46.930   8.387  20.634
  269   2HB   GLN  34          2HB       GLN  34  45.701   9.625  20.819
  270   1HG   GLN  34          1HG       GLN  34  46.333   9.861  23.220
  271   2HG   GLN  34          2HG       GLN  34  47.604   8.666  22.980
  272   1HE2  GLN  34          1HE2      GLN  34  49.635  11.515  22.297
  273   2HE2  GLN  34          2HE2      GLN  34  49.256  10.322  23.444
  274    H    ASP  35           H        ASP  35  46.111   6.830  23.974
  275    HA   ASP  35           HA       ASP  35  47.919   4.849  22.997
  276   1HB   ASP  35          1HB       ASP  35  47.781   5.761  25.375
  277   2HB   ASP  35          2HB       ASP  35  46.397   4.697  25.612
  278    H    MET  36           H        MET  36  44.645   5.052  22.746
  279    HA   MET  36           HA       MET  36  43.689   2.431  23.200
  280   1HB   MET  36          1HB       MET  36  42.188   4.305  22.786
  281   2HB   MET  36          2HB       MET  36  42.827   4.492  21.158
  282   1HG   MET  36          1HG       MET  36  41.948   2.379  20.473
  283   2HG   MET  36          2HG       MET  36  41.592   1.913  22.115
  284   1HE   MET  36          1HE       MET  36  41.111   4.517  19.544
  285   2HE   MET  36          2HE       MET  36  39.979   3.380  18.813
  286   3HE   MET  36          3HE       MET  36  39.388   4.897  19.493
  287    H    GLU  37           H        GLU  37  45.648   3.713  20.647
  288    HA   GLU  37           HA       GLU  37  45.106   1.768  18.649
  289   1HB   GLU  37          1HB       GLU  37  47.270   2.428  17.673
  290   2HB   GLU  37          2HB       GLU  37  46.340   3.836  18.168
  291   1HG   GLU  37          1HG       GLU  37  47.629   3.943  20.287
  292   2HG   GLU  37          2HG       GLU  37  48.568   2.540  19.785
  293    H    GLN  38           H        GLN  38  46.542   1.402  21.663
  294    HA   GLN  38           HA       GLN  38  48.290  -0.788  20.880
  295   1HB   GLN  38          1HB       GLN  38  47.555   0.330  23.579
  296   2HB   GLN  38          2HB       GLN  38  48.674  -1.007  23.351
  297   1HG   GLN  38          1HG       GLN  38  50.105   0.440  21.930
  298   2HG   GLN  38          2HG       GLN  38  48.990   1.782  22.189
  299   1HE2  GLN  38          1HE2      GLN  38  49.952   1.087  25.909
  300   2HE2  GLN  38          2HE2      GLN  38  48.647   0.432  25.045
  301    H    GLN  39           H        GLN  39  45.339  -0.822  20.545
  302    HA   GLN  39           HA       GLN  39  44.577  -3.043  22.340
  303   1HB   GLN  39          1HB       GLN  39  42.384  -2.564  21.838
  304   2HB   GLN  39          2HB       GLN  39  43.079  -1.001  21.440
  305   1HG   GLN  39          1HG       GLN  39  43.346  -1.856  19.047
  306   2HG   GLN  39          2HG       GLN  39  42.358  -3.239  19.519
  307   1HE2  GLN  39          1HE2      GLN  39  40.196  -0.430  18.189
  308   2HE2  GLN  39          2HE2      GLN  39  41.578  -1.196  17.571
  309    H    VAL  40           H        VAL  40  44.475  -5.132  21.728
  310    HA   VAL  40           HA       VAL  40  45.660  -5.803  19.118
  311    HB   VAL  40           HB       VAL  40  44.743  -7.581  21.394
  312   1HG1  VAL  40          1HG1      VAL  40  46.171  -8.093  18.786
  313   2HG1  VAL  40          2HG1      VAL  40  46.415  -9.152  20.171
  314   3HG1  VAL  40          3HG1      VAL  40  44.810  -8.965  19.480
  315   1HG2  VAL  40          1HG2      VAL  40  46.835  -5.809  21.398
  316   2HG2  VAL  40          2HG2      VAL  40  46.824  -7.313  22.314
  317   3HG2  VAL  40          3HG2      VAL  40  47.614  -7.241  20.743
  318    H    VAL  41           H        VAL  41  44.649  -7.615  17.854
  319    HA   VAL  41           HA       VAL  41  41.671  -7.581  17.956
  320    HB   VAL  41           HB       VAL  41  43.230  -7.164  15.391
  321   1HG1  VAL  41          1HG1      VAL  41  40.794  -8.176  15.534
  322   2HG1  VAL  41          2HG1      VAL  41  40.330  -6.513  15.870
  323   3HG1  VAL  41          3HG1      VAL  41  41.139  -6.914  14.358
  324   1HG2  VAL  41          1HG2      VAL  41  42.040  -5.219  17.363
  325   2HG2  VAL  41          2HG2      VAL  41  43.594  -5.139  16.539
  326   3HG2  VAL  41          3HG2      VAL  41  42.108  -4.811  15.652
  327    H    PHE  42           H        PHE  42  41.133  -9.670  18.161
  328    HA   PHE  42           HA       PHE  42  42.875 -11.736  16.940
  329   1HB   PHE  42          1HB       PHE  42  40.433 -12.278  18.615
  330   2HB   PHE  42          2HB       PHE  42  41.849 -13.292  18.394
  331    HD1  PHE  42           HD1      PHE  42  40.557 -10.242  20.047
  332    HD2  PHE  42           HD2      PHE  42  43.837 -12.920  19.679
  333    HE1  PHE  42           HE1      PHE  42  41.603  -9.230  22.018
  334    HE2  PHE  42           HE2      PHE  42  44.893 -11.901  21.650
  335    HZ   PHE  42           HZ       PHE  42  43.772 -10.059  22.824
  336    H    SER  43           H        SER  43  42.120 -13.270  15.499
  337    HA   SER  43           HA       SER  43  39.600 -12.530  14.078
  338   1HB   SER  43          1HB       SER  43  41.577 -12.434  12.633
  339   2HB   SER  43          2HB       SER  43  42.017 -14.088  13.099
  340    HG   SER  43           HG       SER  43  40.047 -13.194  11.403
  341    H    MET  44           H        MET  44  38.064 -13.713  15.177
  342    HA   MET  44           HA       MET  44  38.553 -16.440  16.034
  343   1HB   MET  44          1HB       MET  44  36.807 -14.955  17.070
  344   2HB   MET  44          2HB       MET  44  35.863 -15.117  15.599
  345   1HG   MET  44          1HG       MET  44  35.835 -17.555  15.866
  346   2HG   MET  44          2HG       MET  44  36.809 -17.437  17.299
  347   1HE   MET  44          1HE       MET  44  34.459 -14.620  17.382
  348   2HE   MET  44          2HE       MET  44  33.572 -15.095  18.826
  349   3HE   MET  44          3HE       MET  44  35.331 -15.041  18.856
  350    H    SER  45           H        SER  45  37.771 -18.349  15.162
  351    HA   SER  45           HA       SER  45  36.674 -18.214  12.394
  352   1HB   SER  45          1HB       SER  45  39.141 -19.711  13.303
  353   2HB   SER  45          2HB       SER  45  38.226 -20.191  11.860
  354    HG   SER  45           HG       SER  45  39.429 -17.693  12.443
  355    H    PHE  46           H        PHE  46  34.800 -19.274  12.489
  356    HA   PHE  46           HA       PHE  46  34.124 -21.089  14.632
  357   1HB   PHE  46          1HB       PHE  46  32.766 -20.648  11.952
  358   2HB   PHE  46          2HB       PHE  46  32.062 -21.515  13.313
  359    HD1  PHE  46           HD1      PHE  46  31.803 -20.217  15.544
  360    HD2  PHE  46           HD2      PHE  46  32.584 -18.277  11.827
  361    HE1  PHE  46           HE1      PHE  46  31.012 -18.088  16.484
  362    HE2  PHE  46           HE2      PHE  46  31.792 -16.152  12.775
  363    HZ   PHE  46           HZ       PHE  46  31.007 -16.048  15.106
  364    H    VAL  47           H        VAL  47  35.253 -22.962  14.795
  365    HA   VAL  47           HA       VAL  47  35.871 -24.453  12.285
  366    HB   VAL  47           HB       VAL  47  37.512 -25.669  13.581
  367   1HG1  VAL  47          1HG1      VAL  47  37.632 -22.994  13.006
  368   2HG1  VAL  47          2HG1      VAL  47  37.970 -22.984  14.735
  369   3HG1  VAL  47          3HG1      VAL  47  38.983 -23.923  13.644
  370   1HG2  VAL  47          1HG2      VAL  47  36.238 -24.242  15.933
  371   2HG2  VAL  47          2HG2      VAL  47  36.336 -25.979  15.674
  372   3HG2  VAL  47          3HG2      VAL  47  37.792 -25.056  16.032
  373    H    GLN  48           H        GLN  48  36.058 -26.983  13.035
  374    HA   GLN  48           HA       GLN  48  33.239 -27.677  13.642
  375   1HB   GLN  48          1HB       GLN  48  34.295 -28.575  11.584
  376   2HB   GLN  48          2HB       GLN  48  35.486 -29.407  12.577
  377   1HG   GLN  48          1HG       GLN  48  33.887 -30.886  13.480
  378   2HG   GLN  48          2HG       GLN  48  32.538 -29.828  13.076
  379   1HE2  GLN  48          1HE2      GLN  48  32.640 -32.623  10.585
  380   2HE2  GLN  48          2HE2      GLN  48  32.484 -32.536  12.273
  381    H    GLY  49           H        GLY  49  32.673 -29.097  15.276
  382   1HA   GLY  49          1HA       GLY  49  34.402 -30.641  16.881
  383   2HA   GLY  49          2HA       GLY  49  34.304 -29.054  17.636
  384    H    GLU  50           H        GLU  50  33.313 -30.250  19.411
  385    HA   GLU  50           HA       GLU  50  30.783 -31.573  19.131
  386   1HB   GLU  50          1HB       GLU  50  31.908 -30.181  21.572
  387   2HB   GLU  50          2HB       GLU  50  30.669 -31.427  21.553
  388   1HG   GLU  50          1HG       GLU  50  32.822 -32.494  20.078
  389   2HG   GLU  50          2HG       GLU  50  33.547 -31.739  21.495
  390    H    GLU  51           H        GLU  51  29.565 -30.094  17.785
  391    HA   GLU  51           HA       GLU  51  28.955 -27.415  18.717
  392   1HB   GLU  51          1HB       GLU  51  27.026 -28.724  16.904
  393   2HB   GLU  51          2HB       GLU  51  27.841 -27.175  16.749
  394   1HG   GLU  51          1HG       GLU  51  29.985 -28.539  16.308
  395   2HG   GLU  51          2HG       GLU  51  28.912 -29.917  16.085
  396    H    SER  52           H        SER  52  27.505 -26.808  20.182
  397    HA   SER  52           HA       SER  52  25.314 -28.720  20.900
  398   1HB   SER  52          1HB       SER  52  27.192 -28.594  22.631
  399   2HB   SER  52          2HB       SER  52  26.699 -26.911  22.897
  400    HG   SER  52           HG       SER  52  25.061 -29.223  23.052
  401    H    ASN  53           H        ASN  53  24.348 -26.810  22.903
  402    HA   ASN  53           HA       ASN  53  22.896 -25.049  21.028
  403   1HB   ASN  53          1HB       ASN  53  21.844 -26.421  22.965
  404   2HB   ASN  53          2HB       ASN  53  22.467 -25.143  24.006
  405   1HD2  ASN  53          1HD2      ASN  53  19.411 -24.316  21.395
  406   2HD2  ASN  53          2HD2      ASN  53  20.345 -25.717  21.182
  407    H    ASP  54           H        ASP  54  25.224 -24.880  23.630
  408    HA   ASP  54           HA       ASP  54  25.418 -21.919  23.209
  409   1HB   ASP  54          1HB       ASP  54  26.227 -23.361  25.734
  410   2HB   ASP  54          2HB       ASP  54  25.955 -21.635  25.506
  411    H    LYS  55           H        LYS  55  27.152 -24.945  23.634
  412    HA   LYS  55           HA       LYS  55  29.788 -23.733  23.646
  413   1HB   LYS  55          1HB       LYS  55  29.012 -26.570  22.926
  414   2HB   LYS  55          2HB       LYS  55  30.629 -26.008  23.323
  415   1HG   LYS  55          1HG       LYS  55  29.448 -25.146  25.535
  416   2HG   LYS  55          2HG       LYS  55  28.259 -26.374  25.124
  417   1HD   LYS  55          1HD       LYS  55  30.469 -27.856  24.742
  418   2HD   LYS  55          2HD       LYS  55  31.159 -26.695  25.867
  419   1HE   LYS  55          1HE       LYS  55  28.570 -28.156  26.485
  420   2HE   LYS  55          2HE       LYS  55  30.138 -28.837  26.880
  421   1HZ   LYS  55          1HZ       LYS  55  30.537 -26.562  27.981
  422   2HZ   LYS  55          2HZ       LYS  55  28.844 -26.438  27.966
  423   3HZ   LYS  55          3HZ       LYS  55  29.594 -27.724  28.783
  424    H    ILE  56           H        ILE  56  30.546 -22.648  21.958
  425    HA   ILE  56           HA       ILE  56  30.077 -23.751  19.212
  426    HB   ILE  56           HB       ILE  56  30.460 -20.886  20.077
  427   1HG1  ILE  56          1HG1      ILE  56  28.081 -22.305  18.825
  428   2HG1  ILE  56          2HG1      ILE  56  28.216 -21.928  20.537
  429   1HG2  ILE  56          1HG2      ILE  56  30.856 -22.228  17.528
  430   2HG2  ILE  56          2HG2      ILE  56  29.579 -21.026  17.410
  431   3HG2  ILE  56          3HG2      ILE  56  31.183 -20.554  17.957
  432   1HD1  ILE  56          1HD1      ILE  56  28.764 -19.480  19.386
  433   2HD1  ILE  56          2HD1      ILE  56  27.579 -20.147  18.269
  434   3HD1  ILE  56          3HD1      ILE  56  27.181 -19.972  19.974
  435    HA   PRO  57           HA       PRO  57  34.592 -24.144  20.118
  436   1HB   PRO  57          1HB       PRO  57  34.785 -25.921  17.852
  437   2HB   PRO  57          2HB       PRO  57  35.004 -26.291  19.562
  438   1HG   PRO  57          1HG       PRO  57  32.787 -27.052  17.917
  439   2HG   PRO  57          2HG       PRO  57  32.936 -27.279  19.659
  440   1HD   PRO  57          1HD       PRO  57  31.276 -25.374  18.211
  441   2HD   PRO  57          2HD       PRO  57  31.283 -25.717  19.952
  442    H    VAL  58           H        VAL  58  35.850 -22.566  19.397
  443    HA   VAL  58           HA       VAL  58  35.926 -21.984  16.468
  444    HB   VAL  58           HB       VAL  58  35.983 -19.596  16.923
  445   1HG1  VAL  58          1HG1      VAL  58  33.750 -21.206  17.158
  446   2HG1  VAL  58          2HG1      VAL  58  33.675 -20.257  18.635
  447   3HG1  VAL  58          3HG1      VAL  58  33.709 -19.453  17.072
  448   1HG2  VAL  58          1HG2      VAL  58  35.942 -20.547  19.794
  449   2HG2  VAL  58          2HG2      VAL  58  37.087 -19.452  19.026
  450   3HG2  VAL  58          3HG2      VAL  58  35.446 -18.913  19.363
  451    H    ALA  59           H        ALA  59  37.812 -20.089  16.375
  452    HA   ALA  59           HA       ALA  59  40.115 -21.023  18.008
  453   1HB   ALA  59          1HB       ALA  59  39.953 -22.239  15.736
  454   2HB   ALA  59          2HB       ALA  59  40.393 -20.691  15.024
  455   3HB   ALA  59          3HB       ALA  59  41.493 -21.491  16.142
  456    H    LEU  60           H        LEU  60  41.109 -19.301  18.827
  457    HA   LEU  60           HA       LEU  60  40.644 -16.642  17.610
  458   1HB   LEU  60          1HB       LEU  60  42.002 -17.449  20.194
  459   2HB   LEU  60          2HB       LEU  60  41.713 -15.791  19.692
  460    HG   LEU  60           HG       LEU  60  39.486 -17.843  19.962
  461   1HD1  LEU  60          1HD1      LEU  60  40.682 -17.472  22.136
  462   2HD1  LEU  60          2HD1      LEU  60  40.345 -15.750  21.986
  463   3HD1  LEU  60          3HD1      LEU  60  39.019 -16.895  22.162
  464   1HD2  LEU  60          1HD2      LEU  60  39.626 -14.851  19.545
  465   2HD2  LEU  60          2HD2      LEU  60  38.665 -16.042  18.675
  466   3HD2  LEU  60          3HD2      LEU  60  38.217 -15.573  20.309
  467    H    GLY  61           H        GLY  61  42.004 -16.108  16.017
  468   1HA   GLY  61          1HA       GLY  61  44.925 -16.627  16.436
  469   2HA   GLY  61          2HA       GLY  61  44.175 -16.811  14.860
  470    H    LEU  62           H        LEU  62  46.083 -14.804  16.556
  471    HA   LEU  62           HA       LEU  62  45.069 -12.221  16.322
  472   1HB   LEU  62          1HB       LEU  62  47.872 -13.206  15.773
  473   2HB   LEU  62          2HB       LEU  62  47.454 -11.510  15.926
  474    HG   LEU  62           HG       LEU  62  46.929 -13.572  18.101
  475   1HD1  LEU  62          1HD1      LEU  62  49.418 -12.507  17.312
  476   2HD1  LEU  62          2HD1      LEU  62  48.951 -11.535  18.693
  477   3HD1  LEU  62          3HD1      LEU  62  49.061 -13.284  18.848
  478   1HD2  LEU  62          1HD2      LEU  62  46.612 -10.565  17.899
  479   2HD2  LEU  62          2HD2      LEU  62  45.450 -11.749  18.479
  480   3HD2  LEU  62          3HD2      LEU  62  46.833 -11.339  19.465
  481    H    LYS  63           H        LYS  63  44.402 -11.011  14.705
  482    HA   LYS  63           HA       LYS  63  44.195 -11.960  12.037
  483   1HB   LYS  63          1HB       LYS  63  42.870 -10.101  13.128
  484   2HB   LYS  63          2HB       LYS  63  44.260  -9.059  12.868
  485   1HG   LYS  63          1HG       LYS  63  44.150  -9.687  10.412
  486   2HG   LYS  63          2HG       LYS  63  42.617 -10.482  10.756
  487   1HD   LYS  63          1HD       LYS  63  41.755  -8.325  11.684
  488   2HD   LYS  63          2HD       LYS  63  43.265  -7.552  11.219
  489   1HE   LYS  63          1HE       LYS  63  41.560  -9.055   9.222
  490   2HE   LYS  63          2HE       LYS  63  41.312  -7.346   9.555
  491   1HZ   LYS  63          1HZ       LYS  63  43.890  -7.294   9.147
  492   2HZ   LYS  63          2HZ       LYS  63  43.544  -8.679   8.226
  493   3HZ   LYS  63          3HZ       LYS  63  42.785  -7.205   7.861
  494    H    GLU  64           H        GLU  64  46.403  -9.551  13.386
  495    HA   GLU  64           HA       GLU  64  47.838  -9.005  11.005
  496   1HB   GLU  64          1HB       GLU  64  48.867  -8.910  13.842
  497   2HB   GLU  64          2HB       GLU  64  49.568  -8.076  12.459
  498   1HG   GLU  64          1HG       GLU  64  47.180  -7.056  12.158
  499   2HG   GLU  64          2HG       GLU  64  46.927  -7.562  13.827
  500    H    LYS  65           H        LYS  65  48.808 -11.202  13.650
  501    HA   LYS  65           HA       LYS  65  50.734 -12.468  11.735
  502   1HB   LYS  65          1HB       LYS  65  50.760 -12.542  14.755
  503   2HB   LYS  65          2HB       LYS  65  52.011 -13.162  13.679
  504   1HG   LYS  65          1HG       LYS  65  52.312 -10.867  12.750
  505   2HG   LYS  65          2HG       LYS  65  51.111 -10.266  13.886
  506   1HD   LYS  65          1HD       LYS  65  52.502 -10.612  15.740
  507   2HD   LYS  65          2HD       LYS  65  53.478 -11.819  14.908
  508   1HE   LYS  65          1HE       LYS  65  54.725 -10.226  13.768
  509   2HE   LYS  65          2HE       LYS  65  53.421  -9.045  13.784
  510   1HZ   LYS  65          1HZ       LYS  65  54.312  -9.681  16.413
  511   2HZ   LYS  65          2HZ       LYS  65  55.581  -9.097  15.447
  512   3HZ   LYS  65          3HZ       LYS  65  54.172  -8.169  15.654
  513    H    ASN  66           H        ASN  66  51.187 -14.814  12.207
  514    HA   ASN  66           HA       ASN  66  48.596 -16.233  12.290
  515   1HB   ASN  66          1HB       ASN  66  50.069 -18.205  11.601
  516   2HB   ASN  66          2HB       ASN  66  49.987 -16.866  10.458
  517   1HD2  ASN  66          1HD2      ASN  66  53.538 -17.086  10.513
  518   2HD2  ASN  66          2HD2      ASN  66  52.138 -17.452   9.627
  519    H    LEU  67           H        LEU  67  49.491 -15.214  14.791
  520    HA   LEU  67           HA       LEU  67  50.512 -17.590  16.240
  521   1HB   LEU  67          1HB       LEU  67  50.049 -14.717  16.998
  522   2HB   LEU  67          2HB       LEU  67  50.333 -15.937  18.229
  523    HG   LEU  67           HG       LEU  67  52.189 -15.751  15.863
  524   1HD1  LEU  67          1HD1      LEU  67  52.242 -14.017  18.355
  525   2HD1  LEU  67          2HD1      LEU  67  53.596 -14.186  17.242
  526   3HD1  LEU  67          3HD1      LEU  67  52.090 -13.459  16.692
  527   1HD2  LEU  67          1HD2      LEU  67  52.063 -17.474  17.975
  528   2HD2  LEU  67          2HD2      LEU  67  53.565 -17.061  17.156
  529   3HD2  LEU  67          3HD2      LEU  67  53.118 -16.235  18.644
  530    H    TYR  68           H        TYR  68  49.095 -19.033  16.949
  531    HA   TYR  68           HA       TYR  68  46.297 -18.160  17.491
  532   1HB   TYR  68          1HB       TYR  68  47.490 -20.854  16.833
  533   2HB   TYR  68          2HB       TYR  68  45.826 -20.653  17.366
  534    HD1  TYR  68           HD1      TYR  68  48.181 -19.131  14.856
  535    HD2  TYR  68           HD2      TYR  68  44.210 -20.413  15.687
  536    HE1  TYR  68           HE1      TYR  68  47.513 -18.530  12.582
  537    HE2  TYR  68           HE2      TYR  68  43.553 -19.837  13.397
  538    HH   TYR  68           HH       TYR  68  44.584 -18.012  11.593
  539    H    LEU  69           H        LEU  69  45.511 -18.207  19.507
  540    HA   LEU  69           HA       LEU  69  47.211 -18.662  21.761
  541   1HB   LEU  69          1HB       LEU  69  44.187 -18.537  21.509
  542   2HB   LEU  69          2HB       LEU  69  44.990 -18.761  23.052
  543    HG   LEU  69           HG       LEU  69  46.376 -16.623  22.378
  544   1HD1  LEU  69          1HD1      LEU  69  44.700 -16.814  20.110
  545   2HD1  LEU  69          2HD1      LEU  69  44.051 -15.493  21.060
  546   3HD1  LEU  69          3HD1      LEU  69  45.731 -15.465  20.542
  547   1HD2  LEU  69          1HD2      LEU  69  43.457 -16.560  23.181
  548   2HD2  LEU  69          2HD2      LEU  69  44.845 -16.671  24.255
  549   3HD2  LEU  69          3HD2      LEU  69  44.557 -15.194  23.344
  550    H    SER  70           H        SER  70  47.394 -20.455  23.163
  551    HA   SER  70           HA       SER  70  45.909 -22.904  22.409
  552   1HB   SER  70          1HB       SER  70  47.929 -24.234  22.051
  553   2HB   SER  70          2HB       SER  70  47.991 -22.826  20.973
  554    HG   SER  70           HG       SER  70  49.070 -21.753  22.802
  555    H    CYS  71           H        CYS  71  45.659 -24.319  24.050
  556    HA   CYS  71           HA       CYS  71  46.656 -23.441  26.701
  557   1HB   CYS  71          1HB       CYS  71  44.731 -25.678  26.128
  558   2HB   CYS  71          2HB       CYS  71  44.954 -24.818  27.627
  559    HG   CYS  71           HG       CYS  71  43.831 -23.033  25.435
  560    H    VAL  72           H        VAL  72  48.510 -24.332  27.353
  561    HA   VAL  72           HA       VAL  72  49.017 -27.187  26.745
  562    HB   VAL  72           HB       VAL  72  51.395 -26.687  26.460
  563   1HG1  VAL  72          1HG1      VAL  72  49.324 -25.971  24.689
  564   2HG1  VAL  72          2HG1      VAL  72  50.451 -24.622  24.640
  565   3HG1  VAL  72          3HG1      VAL  72  51.010 -26.251  24.271
  566   1HG2  VAL  72          1HG2      VAL  72  50.462 -23.859  27.050
  567   2HG2  VAL  72          2HG2      VAL  72  51.656 -24.799  27.939
  568   3HG2  VAL  72          3HG2      VAL  72  52.024 -24.215  26.320
  569    H    LEU  73           H        LEU  73  50.231 -28.330  28.319
  570    HA   LEU  73           HA       LEU  73  49.812 -27.311  31.021
  571   1HB   LEU  73          1HB       LEU  73  50.951 -29.862  29.891
  572   2HB   LEU  73          2HB       LEU  73  51.074 -29.505  31.607
  573    HG   LEU  73           HG       LEU  73  48.421 -29.344  30.169
  574   1HD1  LEU  73          1HD1      LEU  73  49.866 -31.748  31.305
  575   2HD1  LEU  73          2HD1      LEU  73  48.114 -31.709  31.133
  576   3HD1  LEU  73          3HD1      LEU  73  49.140 -31.575  29.711
  577   1HD2  LEU  73          1HD2      LEU  73  49.221 -28.697  32.757
  578   2HD2  LEU  73          2HD2      LEU  73  47.571 -29.062  32.276
  579   3HD2  LEU  73          3HD2      LEU  73  48.596 -30.326  32.946
  580    H    LYS  74           H        LYS  74  51.301 -26.516  32.375
  581    HA   LYS  74           HA       LYS  74  54.147 -26.464  31.464
  582   1HB   LYS  74          1HB       LYS  74  52.559 -24.250  32.796
  583   2HB   LYS  74          2HB       LYS  74  54.297 -24.207  32.538
  584   1HG   LYS  74          1HG       LYS  74  53.771 -24.652  30.051
  585   2HG   LYS  74          2HG       LYS  74  52.109 -24.264  30.451
  586   1HD   LYS  74          1HD       LYS  74  53.139 -22.221  29.683
  587   2HD   LYS  74          2HD       LYS  74  52.940 -22.073  31.424
  588   1HE   LYS  74          1HE       LYS  74  55.174 -21.914  31.746
  589   2HE   LYS  74          2HE       LYS  74  55.499 -23.325  30.750
  590   1HZ   LYS  74          1HZ       LYS  74  55.192 -21.874  28.784
  591   2HZ   LYS  74          2HZ       LYS  74  55.091 -20.540  29.831
  592   3HZ   LYS  74          3HZ       LYS  74  56.522 -21.451  29.754
  593    H    ASP  75           H        ASP  75  54.330 -28.358  32.739
  594    HA   ASP  75           HA       ASP  75  55.272 -29.318  34.689
  595   1HB   ASP  75          1HB       ASP  75  54.320 -27.012  36.383
  596   2HB   ASP  75          2HB       ASP  75  55.685 -28.084  36.644
  597    H    ASP  76           H        ASP  76  52.832 -29.920  33.648
  598    HA   ASP  76           HA       ASP  76  50.926 -31.147  34.232
  599   1HB   ASP  76          1HB       ASP  76  51.590 -30.801  37.149
  600   2HB   ASP  76          2HB       ASP  76  50.799 -32.151  36.348
  601    H    LYS  77           H        LYS  77  51.366 -28.006  34.644
  602    HA   LYS  77           HA       LYS  77  48.680 -27.581  35.868
  603   1HB   LYS  77          1HB       LYS  77  50.867 -26.590  36.930
  604   2HB   LYS  77          2HB       LYS  77  50.662 -25.375  35.670
  605   1HG   LYS  77          1HG       LYS  77  48.223 -25.179  36.456
  606   2HG   LYS  77          2HG       LYS  77  48.687 -26.142  37.849
  607   1HD   LYS  77          1HD       LYS  77  49.779 -24.400  38.841
  608   2HD   LYS  77          2HD       LYS  77  50.475 -23.837  37.329
  609   1HE   LYS  77          1HE       LYS  77  48.470 -22.692  36.712
  610   2HE   LYS  77          2HE       LYS  77  47.534 -23.510  37.956
  611   1HZ   LYS  77          1HZ       LYS  77  49.360 -22.348  39.459
  612   2HZ   LYS  77          2HZ       LYS  77  49.328 -21.236  38.175
  613   3HZ   LYS  77          3HZ       LYS  77  47.903 -21.589  39.029
  614    HA   PRO  78           HA       PRO  78  47.697 -26.336  31.595
  615   1HB   PRO  78          1HB       PRO  78  45.263 -25.111  32.620
  616   2HB   PRO  78          2HB       PRO  78  45.435 -26.486  31.528
  617   1HG   PRO  78          1HG       PRO  78  44.659 -26.584  34.260
  618   2HG   PRO  78          2HG       PRO  78  45.083 -27.967  33.254
  619   1HD   PRO  78          1HD       PRO  78  46.599 -26.774  35.436
  620   2HD   PRO  78          2HD       PRO  78  46.947 -28.264  34.535
  621    H    THR  79           H        THR  79  47.879 -24.414  30.470
  622    HA   THR  79           HA       THR  79  47.639 -21.833  31.867
  623    HB   THR  79           HB       THR  79  50.294 -22.873  30.884
  624    HG1  THR  79           HG1      THR  79  49.792 -23.376  32.995
  625   1HG2  THR  79          1HG2      THR  79  49.360 -20.082  31.574
  626   2HG2  THR  79          2HG2      THR  79  51.041 -20.561  31.781
  627   3HG2  THR  79          3HG2      THR  79  50.311 -20.579  30.178
  628    H    LEU  80           H        LEU  80  48.036 -20.004  30.360
  629    HA   LEU  80           HA       LEU  80  47.109 -20.725  27.620
  630   1HB   LEU  80          1HB       LEU  80  45.844 -19.087  29.153
  631   2HB   LEU  80          2HB       LEU  80  47.185 -17.992  28.862
  632    HG   LEU  80           HG       LEU  80  46.737 -18.545  26.320
  633   1HD1  LEU  80          1HD1      LEU  80  44.940 -20.242  26.986
  634   2HD1  LEU  80          2HD1      LEU  80  43.967 -18.873  27.494
  635   3HD1  LEU  80          3HD1      LEU  80  44.439 -19.035  25.809
  636   1HD2  LEU  80          1HD2      LEU  80  45.432 -16.623  28.204
  637   2HD2  LEU  80          2HD2      LEU  80  46.478 -16.300  26.825
  638   3HD2  LEU  80          3HD2      LEU  80  44.785 -16.707  26.574
  639    H    GLN  81           H        GLN  81  48.341 -20.264  25.830
  640    HA   GLN  81           HA       GLN  81  50.525 -18.311  26.032
  641   1HB   GLN  81          1HB       GLN  81  51.568 -20.329  26.972
  642   2HB   GLN  81          2HB       GLN  81  51.135 -21.232  25.526
  643   1HG   GLN  81          1HG       GLN  81  52.803 -20.273  24.275
  644   2HG   GLN  81          2HG       GLN  81  52.599 -18.698  25.030
  645   1HE2  GLN  81          1HE2      GLN  81  54.626 -21.228  27.509
  646   2HE2  GLN  81          2HE2      GLN  81  53.066 -21.622  26.969
  647    H    LEU  82           H        LEU  82  51.436 -17.772  24.002
  648    HA   LEU  82           HA       LEU  82  49.619 -18.370  21.742
  649   1HB   LEU  82          1HB       LEU  82  51.871 -16.370  22.074
  650   2HB   LEU  82          2HB       LEU  82  50.921 -16.546  20.603
  651    HG   LEU  82           HG       LEU  82  49.432 -16.225  23.179
  652   1HD1  LEU  82          1HD1      LEU  82  50.851 -13.974  21.714
  653   2HD1  LEU  82          2HD1      LEU  82  49.631 -13.743  22.962
  654   3HD1  LEU  82          3HD1      LEU  82  51.166 -14.502  23.362
  655   1HD2  LEU  82          1HD2      LEU  82  48.279 -16.567  21.002
  656   2HD2  LEU  82          2HD2      LEU  82  47.906 -14.986  21.682
  657   3HD2  LEU  82          3HD2      LEU  82  49.068 -15.126  20.368
  658    H    GLU  83           H        GLU  83  50.260 -19.433  19.898
  659    HA   GLU  83           HA       GLU  83  53.101 -20.319  19.720
  660   1HB   GLU  83          1HB       GLU  83  51.864 -22.138  20.814
  661   2HB   GLU  83          2HB       GLU  83  50.691 -22.142  19.502
  662   1HG   GLU  83          1HG       GLU  83  52.126 -23.195  18.046
  663   2HG   GLU  83          2HG       GLU  83  53.546 -22.379  18.695
  664    H    SER  84           H        SER  84  53.889 -20.044  17.737
  665    HA   SER  84           HA       SER  84  52.218 -19.061  15.590
  666   1HB   SER  84          1HB       SER  84  54.338 -18.222  15.261
  667   2HB   SER  84          2HB       SER  84  55.116 -19.650  15.972
  668    HG   SER  84           HG       SER  84  54.906 -19.221  13.466
  669    H    VAL  85           H        VAL  85  50.948 -20.285  14.353
  670    HA   VAL  85           HA       VAL  85  51.553 -23.182  14.096
  671    HB   VAL  85           HB       VAL  85  49.274 -23.425  13.326
  672   1HG1  VAL  85          1HG1      VAL  85  49.641 -23.130  15.772
  673   2HG1  VAL  85          2HG1      VAL  85  49.400 -21.396  15.583
  674   3HG1  VAL  85          3HG1      VAL  85  48.072 -22.509  15.269
  675   1HG2  VAL  85          1HG2      VAL  85  49.312 -20.388  13.231
  676   2HG2  VAL  85          2HG2      VAL  85  49.069 -21.484  11.876
  677   3HG2  VAL  85          3HG2      VAL  85  47.838 -21.345  13.124
  678    H    ASP  86           H        ASP  86  50.322 -23.735  11.700
  679    HA   ASP  86           HA       ASP  86  52.376 -22.880   9.812
  680   1HB   ASP  86          1HB       ASP  86  51.277 -25.227  10.056
  681   2HB   ASP  86          2HB       ASP  86  49.988 -24.527   9.097
  682    HA   PRO  87           HA       PRO  87  49.526 -19.566   8.466
  683   1HB   PRO  87          1HB       PRO  87  51.296 -18.790   6.368
  684   2HB   PRO  87          2HB       PRO  87  51.024 -17.964   7.904
  685   1HG   PRO  87          1HG       PRO  87  53.361 -19.475   7.087
  686   2HG   PRO  87          2HG       PRO  87  53.104 -18.629   8.613
  687   1HD   PRO  87          1HD       PRO  87  53.075 -21.479   8.135
  688   2HD   PRO  87          2HD       PRO  87  52.842 -20.629   9.674
  689    H    LYS  88           H        LYS  88  50.676 -22.296   6.892
  690    HA   LYS  88           HA       LYS  88  49.191 -21.777   4.372
  691   1HB   LYS  88          1HB       LYS  88  51.136 -23.901   5.245
  692   2HB   LYS  88          2HB       LYS  88  50.167 -24.097   3.792
  693   1HG   LYS  88          1HG       LYS  88  51.058 -21.855   3.002
  694   2HG   LYS  88          2HG       LYS  88  52.158 -21.884   4.378
  695   1HD   LYS  88          1HD       LYS  88  53.068 -24.057   3.588
  696   2HD   LYS  88          2HD       LYS  88  51.982 -24.002   2.205
  697   1HE   LYS  88          1HE       LYS  88  53.875 -23.064   1.252
  698   2HE   LYS  88          2HE       LYS  88  53.098 -21.609   1.865
  699   1HZ   LYS  88          1HZ       LYS  88  54.572 -22.612   3.961
  700   2HZ   LYS  88          2HZ       LYS  88  55.578 -22.754   2.600
  701   3HZ   LYS  88          3HZ       LYS  88  54.925 -21.244   3.021
  702    H    ASN  89           H        ASN  89  49.267 -24.141   7.012
  703    HA   ASN  89           HA       ASN  89  46.910 -25.522   5.936
  704   1HB   ASN  89          1HB       ASN  89  48.238 -25.951   8.622
  705   2HB   ASN  89          2HB       ASN  89  47.211 -27.079   7.738
  706   1HD2  ASN  89          1HD2      ASN  89  50.690 -28.109   7.018
  707   2HD2  ASN  89          2HD2      ASN  89  49.658 -28.086   8.365
  708    H    TYR  90           H        TYR  90  47.575 -23.072   8.298
  709    HA   TYR  90           HA       TYR  90  44.779 -23.232   9.271
  710   1HB   TYR  90          1HB       TYR  90  47.141 -21.840  10.454
  711   2HB   TYR  90          2HB       TYR  90  45.554 -21.905  11.185
  712    HD1  TYR  90           HD1      TYR  90  44.558 -24.299  11.521
  713    HD2  TYR  90           HD2      TYR  90  48.686 -23.567  10.894
  714    HE1  TYR  90           HE1      TYR  90  45.095 -26.483  12.506
  715    HE2  TYR  90           HE2      TYR  90  49.232 -25.743  11.877
  716    HH   TYR  90           HH       TYR  90  46.677 -27.937  13.005
  717    HA   PRO  91           HA       PRO  91  43.378 -21.744  10.448
  718   1HB   PRO  91          1HB       PRO  91  40.977 -20.721   9.395
  719   2HB   PRO  91          2HB       PRO  91  41.921 -20.030  10.717
  720   1HG   PRO  91          1HG       PRO  91  41.609 -19.011   7.994
  721   2HG   PRO  91          2HG       PRO  91  42.415 -18.240   9.361
  722   1HD   PRO  91          1HD       PRO  91  43.640 -19.528   7.074
  723   2HD   PRO  91          2HD       PRO  91  44.450 -18.730   8.434
  724    H    LYS  92           H        LYS  92  41.906 -23.490  10.466
  725    HA   LYS  92           HA       LYS  92  41.058 -24.566   7.813
  726   1HB   LYS  92          1HB       LYS  92  43.223 -25.611   8.898
  727   2HB   LYS  92          2HB       LYS  92  42.061 -26.439   9.929
  728   1HG   LYS  92          1HG       LYS  92  40.849 -27.147   7.804
  729   2HG   LYS  92          2HG       LYS  92  42.228 -26.529   6.903
  730   1HD   LYS  92          1HD       LYS  92  42.350 -28.669   9.057
  731   2HD   LYS  92          2HD       LYS  92  42.452 -28.963   7.325
  732   1HE   LYS  92          1HE       LYS  92  44.410 -27.186   7.447
  733   2HE   LYS  92          2HE       LYS  92  44.451 -27.648   9.144
  734   1HZ   LYS  92          1HZ       LYS  92  44.616 -29.988   8.389
  735   2HZ   LYS  92          2HZ       LYS  92  44.790 -29.423   6.797
  736   3HZ   LYS  92          3HZ       LYS  92  45.953 -29.029   7.970
  737    H    LYS  93           H        LYS  93  39.325 -26.191   8.005
  738    HA   LYS  93           HA       LYS  93  37.300 -25.323   9.848
  739   1HB   LYS  93          1HB       LYS  93  35.927 -26.390   8.427
  740   2HB   LYS  93          2HB       LYS  93  37.352 -26.772   7.476
  741   1HG   LYS  93          1HG       LYS  93  37.643 -28.855   8.859
  742   2HG   LYS  93          2HG       LYS  93  36.105 -28.490   9.645
  743   1HD   LYS  93          1HD       LYS  93  34.940 -28.571   7.502
  744   2HD   LYS  93          2HD       LYS  93  36.460 -28.793   6.646
  745   1HE   LYS  93          1HE       LYS  93  36.752 -30.893   8.164
  746   2HE   LYS  93          2HE       LYS  93  35.028 -30.728   8.463
  747   1HZ   LYS  93          1HZ       LYS  93  34.792 -30.663   5.965
  748   2HZ   LYS  93          2HZ       LYS  93  36.400 -31.206   5.892
  749   3HZ   LYS  93          3HZ       LYS  93  35.215 -32.160   6.650
  750    H    LYS  94           H        LYS  94  39.762 -27.702  10.033
  751    HA   LYS  94           HA       LYS  94  38.557 -28.726  12.577
  752   1HB   LYS  94          1HB       LYS  94  38.936 -30.433  10.789
  753   2HB   LYS  94          2HB       LYS  94  40.653 -30.065  10.863
  754   1HG   LYS  94          1HG       LYS  94  40.853 -30.893  13.078
  755   2HG   LYS  94          2HG       LYS  94  39.114 -30.842  13.347
  756   1HD   LYS  94          1HD       LYS  94  38.725 -32.771  12.099
  757   2HD   LYS  94          2HD       LYS  94  40.177 -32.561  11.129
  758   1HE   LYS  94          1HE       LYS  94  40.451 -34.428  12.723
  759   2HE   LYS  94          2HE       LYS  94  41.574 -33.125  13.089
  760   1HZ   LYS  94          1HZ       LYS  94  39.214 -32.615  14.474
  761   2HZ   LYS  94          2HZ       LYS  94  39.603 -34.248  14.734
  762   3HZ   LYS  94          3HZ       LYS  94  40.732 -33.036  15.109
  763    H    MET  95           H        MET  95  39.754 -28.647  14.402
  764    HA   MET  95           HA       MET  95  42.541 -27.636  14.249
  765   1HB   MET  95          1HB       MET  95  40.203 -26.196  15.465
  766   2HB   MET  95          2HB       MET  95  41.806 -25.990  16.156
  767   1HG   MET  95          1HG       MET  95  41.173 -25.632  13.229
  768   2HG   MET  95          2HG       MET  95  41.167 -24.319  14.364
  769   1HE   MET  95          1HE       MET  95  42.868 -23.491  15.612
  770   2HE   MET  95          2HE       MET  95  44.602 -23.645  15.365
  771   3HE   MET  95          3HE       MET  95  43.638 -22.658  14.268
  772    H    GLU  96           H        GLU  96  43.794 -28.108  16.078
  773    HA   GLU  96           HA       GLU  96  42.919 -30.398  17.607
  774   1HB   GLU  96          1HB       GLU  96  45.308 -28.576  18.001
  775   2HB   GLU  96          2HB       GLU  96  45.069 -30.114  18.821
  776   1HG   GLU  96          1HG       GLU  96  44.813 -31.115  16.436
  777   2HG   GLU  96          2HG       GLU  96  45.541 -29.610  15.877
  778    H    LYS  97           H        LYS  97  42.658 -30.489  19.910
  779    HA   LYS  97           HA       LYS  97  40.778 -28.729  20.968
  780   1HB   LYS  97          1HB       LYS  97  42.835 -30.195  22.614
  781   2HB   LYS  97          2HB       LYS  97  41.218 -29.722  23.107
  782   1HG   LYS  97          1HG       LYS  97  41.870 -31.695  20.901
  783   2HG   LYS  97          2HG       LYS  97  41.297 -32.112  22.507
  784   1HD   LYS  97          1HD       LYS  97  39.339 -30.429  21.893
  785   2HD   LYS  97          2HD       LYS  97  39.813 -30.821  20.244
  786   1HE   LYS  97          1HE       LYS  97  39.764 -33.316  21.227
  787   2HE   LYS  97          2HE       LYS  97  38.621 -32.586  22.348
  788   1HZ   LYS  97          1HZ       LYS  97  38.033 -31.729  19.738
  789   2HZ   LYS  97          2HZ       LYS  97  38.162 -33.423  19.742
  790   3HZ   LYS  97          3HZ       LYS  97  37.076 -32.651  20.796
  791    H    ARG  98           H        ARG  98  44.274 -28.632  21.279
  792    HA   ARG  98           HA       ARG  98  44.572 -26.598  23.178
  793   1HB   ARG  98          1HB       ARG  98  46.424 -26.182  20.983
  794   2HB   ARG  98          2HB       ARG  98  46.739 -26.746  22.621
  795   1HG   ARG  98          1HG       ARG  98  45.920 -29.023  21.938
  796   2HG   ARG  98          2HG       ARG  98  45.757 -28.429  20.292
  797   1HD   ARG  98          1HD       ARG  98  48.010 -28.483  19.911
  798   2HD   ARG  98          2HD       ARG  98  48.401 -27.915  21.531
  799    HE   ARG  98           HE       ARG  98  47.367 -30.591  21.657
  800   1HH1  ARG  98          1HH1      ARG  98  49.886 -29.137  22.809
  801   2HH1  ARG  98          2HH1      ARG  98  51.132 -30.176  22.200
  802   1HH2  ARG  98          1HH2      ARG  98  48.977 -31.764  19.937
  803   2HH2  ARG  98          2HH2      ARG  98  50.603 -31.702  20.529
  804    H    PHE  99           H        PHE  99  43.973 -26.216  19.698
  805    HA   PHE  99           HA       PHE  99  43.851 -23.285  20.058
  806   1HB   PHE  99          1HB       PHE  99  43.252 -24.769  17.515
  807   2HB   PHE  99          2HB       PHE  99  43.828 -23.119  17.705
  808    HD1  PHE  99           HD1      PHE  99  46.175 -22.856  18.868
  809    HD2  PHE  99           HD2      PHE  99  44.796 -26.482  17.110
  810    HE1  PHE  99           HE1      PHE  99  48.490 -23.660  18.700
  811    HE2  PHE  99           HE2      PHE  99  47.110 -27.281  16.945
  812    HZ   PHE  99           HZ       PHE  99  48.959 -25.867  17.728
  813    H    VAL 100           H        VAL 100  41.681 -25.904  20.225
  814    HA   VAL 100           HA       VAL 100  39.395 -24.312  19.220
  815    HB   VAL 100           HB       VAL 100  39.287 -26.998  20.589
  816   1HG1  VAL 100          1HG1      VAL 100  37.166 -25.700  20.345
  817   2HG1  VAL 100          2HG1      VAL 100  37.436 -25.650  18.606
  818   3HG1  VAL 100          3HG1      VAL 100  37.161 -27.192  19.410
  819   1HG2  VAL 100          1HG2      VAL 100  40.474 -26.317  18.070
  820   2HG2  VAL 100          2HG2      VAL 100  40.240 -27.917  18.766
  821   3HG2  VAL 100          3HG2      VAL 100  38.984 -27.200  17.765
  822    H    PHE 101           H        PHE 101  38.266 -22.986  20.448
  823    HA   PHE 101           HA       PHE 101  38.265 -23.409  23.416
  824   1HB   PHE 101          1HB       PHE 101  38.305 -20.849  21.806
  825   2HB   PHE 101          2HB       PHE 101  37.904 -20.893  23.519
  826    HD1  PHE 101           HD1      PHE 101  40.569 -21.705  21.061
  827    HD2  PHE 101           HD2      PHE 101  39.627 -21.123  25.177
  828    HE1  PHE 101           HE1      PHE 101  42.961 -21.746  21.618
  829    HE2  PHE 101           HE2      PHE 101  42.021 -21.161  25.724
  830    HZ   PHE 101           HZ       PHE 101  43.687 -21.473  23.947
  831    H    ASN 102           H        ASN 102  36.311 -24.021  24.099
  832    HA   ASN 102           HA       ASN 102  33.960 -23.766  22.427
  833   1HB   ASN 102          1HB       ASN 102  34.233 -24.562  25.338
  834   2HB   ASN 102          2HB       ASN 102  32.754 -24.692  24.402
  835   1HD2  ASN 102          1HD2      ASN 102  35.743 -26.992  22.829
  836   2HD2  ASN 102          2HD2      ASN 102  35.987 -25.333  23.075
  837    H    LYS 103           H        LYS 103  33.260 -21.740  22.051
  838    HA   LYS 103           HA       LYS 103  33.299 -19.686  24.121
  839   1HB   LYS 103          1HB       LYS 103  33.571 -19.104  21.740
  840   2HB   LYS 103          2HB       LYS 103  31.962 -19.716  21.410
  841   1HG   LYS 103          1HG       LYS 103  30.961 -18.026  22.859
  842   2HG   LYS 103          2HG       LYS 103  32.548 -17.481  23.373
  843   1HD   LYS 103          1HD       LYS 103  31.901 -15.918  21.697
  844   2HD   LYS 103          2HD       LYS 103  33.015 -17.002  20.876
  845   1HE   LYS 103          1HE       LYS 103  31.404 -17.454  19.366
  846   2HE   LYS 103          2HE       LYS 103  30.425 -18.173  20.633
  847   1HZ   LYS 103          1HZ       LYS 103  29.724 -15.811  21.154
  848   2HZ   LYS 103          2HZ       LYS 103  30.406 -15.389  19.657
  849   3HZ   LYS 103          3HZ       LYS 103  29.119 -16.495  19.721
  850    H    ILE 104           H        ILE 104  31.950 -19.922  25.792
  851    HA   ILE 104           HA       ILE 104  29.178 -20.902  25.275
  852    HB   ILE 104           HB       ILE 104  30.455 -20.564  27.985
  853   1HG1  ILE 104          1HG1      ILE 104  30.623 -22.965  26.128
  854   2HG1  ILE 104          2HG1      ILE 104  31.977 -21.959  26.628
  855   1HG2  ILE 104          1HG2      ILE 104  27.948 -21.012  27.643
  856   2HG2  ILE 104          2HG2      ILE 104  28.423 -22.593  27.040
  857   3HG2  ILE 104          3HG2      ILE 104  28.800 -22.130  28.695
  858   1HD1  ILE 104          1HD1      ILE 104  31.259 -22.555  29.052
  859   2HD1  ILE 104          2HD1      ILE 104  30.333 -23.853  28.305
  860   3HD1  ILE 104          3HD1      ILE 104  32.081 -23.794  28.112
  861    H    GLU 105           H        GLU 105  27.420 -19.803  26.274
  862    HA   GLU 105           HA       GLU 105  27.939 -16.903  26.791
  863   1HB   GLU 105          1HB       GLU 105  25.753 -18.338  25.325
  864   2HB   GLU 105          2HB       GLU 105  25.401 -16.795  26.092
  865   1HG   GLU 105          1HG       GLU 105  26.924 -15.626  24.737
  866   2HG   GLU 105          2HG       GLU 105  27.839 -17.079  24.344
  867    H    ILE 106           H        ILE 106  27.471 -16.236  28.813
  868    HA   ILE 106           HA       ILE 106  25.278 -17.592  30.296
  869    HB   ILE 106           HB       ILE 106  28.040 -17.087  31.435
  870   1HG1  ILE 106          1HG1      ILE 106  26.633 -19.628  30.557
  871   2HG1  ILE 106          2HG1      ILE 106  28.106 -18.951  29.874
  872   1HG2  ILE 106          1HG2      ILE 106  25.647 -17.206  32.813
  873   2HG2  ILE 106          2HG2      ILE 106  26.148 -18.887  32.823
  874   3HG2  ILE 106          3HG2      ILE 106  27.205 -17.651  33.491
  875   1HD1  ILE 106          1HD1      ILE 106  28.766 -19.130  32.540
  876   2HD1  ILE 106          2HD1      ILE 106  27.735 -20.541  32.335
  877   3HD1  ILE 106          3HD1      ILE 106  29.170 -20.348  31.334
  878    H    ASN 107           H        ASN 107  23.912 -15.941  30.602
  879    HA   ASN 107           HA       ASN 107  23.092 -13.888  31.360
  880   1HB   ASN 107          1HB       ASN 107  24.658 -14.692  33.323
  881   2HB   ASN 107          2HB       ASN 107  25.678 -13.365  32.778
  882   1HD2  ASN 107          1HD2      ASN 107  23.713 -11.347  34.934
  883   2HD2  ASN 107          2HD2      ASN 107  25.231 -12.058  34.675
  884    H    ASN 108           H        ASN 108  24.050 -13.807  28.859
  885    HA   ASN 108           HA       ASN 108  24.748 -12.287  27.217
  886   1HB   ASN 108          1HB       ASN 108  23.826 -10.679  29.446
  887   2HB   ASN 108          2HB       ASN 108  25.163  -9.874  28.644
  888   1HD2  ASN 108          1HD2      ASN 108  22.309  -8.669  26.748
  889   2HD2  ASN 108          2HD2      ASN 108  23.135  -8.380  28.202
  890    H    LYS 109           H        LYS 109  26.722 -13.622  29.193
  891    HA   LYS 109           HA       LYS 109  29.075 -11.918  28.418
  892   1HB   LYS 109          1HB       LYS 109  28.684 -13.627  30.883
  893   2HB   LYS 109          2HB       LYS 109  30.223 -12.939  30.415
  894   1HG   LYS 109          1HG       LYS 109  28.322 -10.816  30.291
  895   2HG   LYS 109          2HG       LYS 109  28.019 -11.667  31.798
  896   1HD   LYS 109          1HD       LYS 109  30.313 -11.384  32.510
  897   2HD   LYS 109          2HD       LYS 109  30.790 -10.774  30.929
  898   1HE   LYS 109          1HE       LYS 109  30.274  -9.087  32.899
  899   2HE   LYS 109          2HE       LYS 109  29.766  -8.714  31.257
  900   1HZ   LYS 109          1HZ       LYS 109  27.985 -10.171  33.099
  901   2HZ   LYS 109          2HZ       LYS 109  28.077  -8.476  33.130
  902   3HZ   LYS 109          3HZ       LYS 109  27.585  -9.274  31.714
  903    H    LEU 110           H        LEU 110  31.073 -13.142  28.049
  904    HA   LEU 110           HA       LEU 110  30.435 -15.753  26.736
  905   1HB   LEU 110          1HB       LEU 110  32.718 -13.826  26.250
  906   2HB   LEU 110          2HB       LEU 110  32.451 -15.319  25.363
  907    HG   LEU 110           HG       LEU 110  30.458 -13.027  25.526
  908   1HD1  LEU 110          1HD1      LEU 110  32.669 -12.658  24.224
  909   2HD1  LEU 110          2HD1      LEU 110  32.049 -13.860  23.096
  910   3HD1  LEU 110          3HD1      LEU 110  31.163 -12.363  23.363
  911   1HD2  LEU 110          1HD2      LEU 110  30.416 -15.773  24.369
  912   2HD2  LEU 110          2HD2      LEU 110  29.088 -14.782  24.958
  913   3HD2  LEU 110          3HD2      LEU 110  29.755 -14.496  23.356
  914    H    GLU 111           H        GLU 111  31.872 -17.500  26.929
  915    HA   GLU 111           HA       GLU 111  33.997 -17.284  28.996
  916   1HB   GLU 111          1HB       GLU 111  31.439 -18.565  29.390
  917   2HB   GLU 111          2HB       GLU 111  32.730 -19.758  29.480
  918   1HG   GLU 111          1HG       GLU 111  33.938 -18.300  31.103
  919   2HG   GLU 111          2HG       GLU 111  32.603 -17.150  31.039
  920    H    PHE 112           H        PHE 112  35.776 -18.062  28.063
  921    HA   PHE 112           HA       PHE 112  35.509 -20.082  25.898
  922   1HB   PHE 112          1HB       PHE 112  37.881 -18.420  26.781
  923   2HB   PHE 112          2HB       PHE 112  37.871 -19.515  25.404
  924    HD1  PHE 112           HD1      PHE 112  36.421 -19.014  23.424
  925    HD2  PHE 112           HD2      PHE 112  36.769 -16.270  26.671
  926    HE1  PHE 112           HE1      PHE 112  35.476 -17.223  22.027
  927    HE2  PHE 112           HE2      PHE 112  35.843 -14.487  25.261
  928    HZ   PHE 112           HZ       PHE 112  35.189 -14.960  22.946
  929    H    GLU 113           H        GLU 113  35.610 -22.148  26.547
  930    HA   GLU 113           HA       GLU 113  37.329 -22.847  28.879
  931   1HB   GLU 113          1HB       GLU 113  34.979 -23.635  28.904
  932   2HB   GLU 113          2HB       GLU 113  35.281 -24.528  27.421
  933   1HG   GLU 113          1HG       GLU 113  36.978 -25.893  28.533
  934   2HG   GLU 113          2HG       GLU 113  36.819 -24.939  30.007
  935    H    SER 114           H        SER 114  39.150 -24.074  28.654
  936    HA   SER 114           HA       SER 114  40.328 -24.373  26.063
  937   1HB   SER 114          1HB       SER 114  41.746 -24.221  28.038
  938   2HB   SER 114          2HB       SER 114  41.028 -25.696  28.711
  939    HG   SER 114           HG       SER 114  41.630 -26.578  26.509
  940    H    ALA 115           H        ALA 115  39.328 -25.671  24.597
  941    HA   ALA 115           HA       ALA 115  37.691 -27.884  25.050
  942   1HB   ALA 115          1HB       ALA 115  38.111 -26.822  22.832
  943   2HB   ALA 115          2HB       ALA 115  39.680 -27.621  22.789
  944   3HB   ALA 115          3HB       ALA 115  38.203 -28.579  22.776
  945    H    GLN 116           H        GLN 116  41.079 -27.645  25.548
  946    HA   GLN 116           HA       GLN 116  41.531 -30.553  25.387
  947   1HB   GLN 116          1HB       GLN 116  43.198 -28.586  24.879
  948   2HB   GLN 116          2HB       GLN 116  43.475 -28.643  26.610
  949   1HG   GLN 116          1HG       GLN 116  43.844 -31.152  26.362
  950   2HG   GLN 116          2HG       GLN 116  43.828 -30.904  24.618
  951   1HE2  GLN 116          1HE2      GLN 116  47.375 -30.685  25.511
  952   2HE2  GLN 116          2HE2      GLN 116  46.173 -31.874  25.359
  953    H    PHE 117           H        PHE 117  41.652 -28.046  27.886
  954    HA   PHE 117           HA       PHE 117  41.318 -30.185  29.952
  955   1HB   PHE 117          1HB       PHE 117  42.228 -27.384  30.550
  956   2HB   PHE 117          2HB       PHE 117  42.502 -28.853  31.479
  957    HD1  PHE 117           HD1      PHE 117  44.050 -30.637  30.498
  958    HD2  PHE 117           HD2      PHE 117  43.756 -26.716  28.857
  959    HE1  PHE 117           HE1      PHE 117  46.188 -30.959  29.331
  960    HE2  PHE 117           HE2      PHE 117  45.888 -27.047  27.699
  961    HZ   PHE 117           HZ       PHE 117  47.112 -29.158  27.935
  962    HA   PRO 118           HA       PRO 118  37.271 -27.935  29.847
  963   1HB   PRO 118          1HB       PRO 118  36.191 -30.186  31.326
  964   2HB   PRO 118          2HB       PRO 118  35.751 -29.604  29.720
  965   1HG   PRO 118          1HG       PRO 118  37.234 -31.972  30.321
  966   2HG   PRO 118          2HG       PRO 118  36.980 -31.274  28.720
  967   1HD   PRO 118          1HD       PRO 118  39.411 -31.300  30.328
  968   2HD   PRO 118          2HD       PRO 118  39.210 -30.758  28.653
  969    H    ASN 119           H        ASN 119  36.168 -26.921  31.557
  970    HA   ASN 119           HA       ASN 119  35.766 -26.194  33.775
  971   1HB   ASN 119          1HB       ASN 119  37.968 -27.998  34.807
  972   2HB   ASN 119          2HB       ASN 119  36.613 -27.313  35.683
  973   1HD2  ASN 119          1HD2      ASN 119  35.330 -30.629  35.178
  974   2HD2  ASN 119          2HD2      ASN 119  36.264 -29.702  36.250
  975    H    TRP 120           H        TRP 120  38.621 -26.144  32.034
  976    HA   TRP 120           HA       TRP 120  39.741 -23.949  33.749
  977   1HB   TRP 120          1HB       TRP 120  41.037 -25.681  31.637
  978   2HB   TRP 120          2HB       TRP 120  41.821 -24.291  32.354
  979    HD1  TRP 120           HD1      TRP 120  40.472 -27.774  33.245
  980    HE1  TRP 120           HE1      TRP 120  41.578 -28.439  35.428
  981    HE3  TRP 120           HE3      TRP 120  42.811 -23.514  34.234
  982    HZ2  TRP 120           HZ2      TRP 120  43.353 -27.188  37.457
  983    HZ3  TRP 120           HZ3      TRP 120  44.201 -23.205  36.224
  984    HH2  TRP 120           HH2      TRP 120  44.472 -25.035  37.839
  985    H    TYR 121           H        TYR 121  39.234 -21.970  33.060
  986    HA   TYR 121           HA       TYR 121  38.798 -21.567  30.122
  987   1HB   TYR 121          1HB       TYR 121  37.595 -19.783  32.218
  988   2HB   TYR 121          2HB       TYR 121  37.078 -20.031  30.556
  989    HD1  TYR 121           HD1      TYR 121  37.462 -21.868  33.772
  990    HD2  TYR 121           HD2      TYR 121  35.330 -21.535  30.119
  991    HE1  TYR 121           HE1      TYR 121  35.887 -23.591  34.536
  992    HE2  TYR 121           HE2      TYR 121  33.762 -23.264  30.870
  993    HH   TYR 121           HH       TYR 121  32.971 -24.303  32.832
  994    H    ILE 122           H        ILE 122  38.927 -19.160  29.633
  995    HA   ILE 122           HA       ILE 122  41.641 -18.311  30.334
  996    HB   ILE 122           HB       ILE 122  39.576 -16.866  28.650
  997   1HG1  ILE 122          1HG1      ILE 122  41.663 -18.917  27.813
  998   2HG1  ILE 122          2HG1      ILE 122  39.935 -19.218  27.874
  999   1HG2  ILE 122          1HG2      ILE 122  42.139 -16.141  29.536
 1000   2HG2  ILE 122          2HG2      ILE 122  42.379 -16.682  27.879
 1001   3HG2  ILE 122          3HG2      ILE 122  41.237 -15.388  28.224
 1002   1HD1  ILE 122          1HD1      ILE 122  39.901 -17.011  26.340
 1003   2HD1  ILE 122          2HD1      ILE 122  41.502 -17.609  25.918
 1004   3HD1  ILE 122          3HD1      ILE 122  40.087 -18.623  25.659
 1005    H    SER 123           H        SER 123  42.094 -16.972  31.989
 1006    HA   SER 123           HA       SER 123  39.903 -15.206  32.990
 1007   1HB   SER 123          1HB       SER 123  41.842 -16.666  34.796
 1008   2HB   SER 123          2HB       SER 123  40.377 -15.780  35.264
 1009    HG   SER 123           HG       SER 123  40.445 -18.272  34.715
 1010    H    THR 124           H        THR 124  40.580 -13.394  34.219
 1011    HA   THR 124           HA       THR 124  43.396 -12.542  33.712
 1012    HB   THR 124           HB       THR 124  42.209 -10.158  33.523
 1013    HG1  THR 124           HG1      THR 124  40.107 -10.381  32.959
 1014   1HG2  THR 124          1HG2      THR 124  42.263 -12.335  31.421
 1015   2HG2  THR 124          2HG2      THR 124  41.674 -10.721  31.045
 1016   3HG2  THR 124          3HG2      THR 124  43.342 -10.954  31.560
 1017    H    SER 125           H        SER 125  44.083 -10.801  35.164
 1018    HA   SER 125           HA       SER 125  42.955 -11.238  37.878
 1019   1HB   SER 125          1HB       SER 125  45.421 -11.557  37.447
 1020   2HB   SER 125          2HB       SER 125  45.509  -9.818  37.120
 1021    HG   SER 125           HG       SER 125  44.822 -11.163  39.492
 1022    H    GLN 126           H        GLN 126  41.653  -9.740  38.725
 1023    HA   GLN 126           HA       GLN 126  40.858  -7.350  37.531
 1024   1HB   GLN 126          1HB       GLN 126  39.753  -8.285  39.523
 1025   2HB   GLN 126          2HB       GLN 126  41.170  -7.897  40.494
 1026   1HG   GLN 126          1HG       GLN 126  40.800  -5.574  40.334
 1027   2HG   GLN 126          2HG       GLN 126  39.785  -5.740  38.904
 1028   1HE2  GLN 126          1HE2      GLN 126  36.930  -6.889  40.858
 1029   2HE2  GLN 126          2HE2      GLN 126  37.740  -7.256  39.412
 1030    H    ALA 127           H        ALA 127  43.702  -8.073  39.375
 1031    HA   ALA 127           HA       ALA 127  44.670  -5.569  40.095
 1032   1HB   ALA 127          1HB       ALA 127  45.721  -8.055  40.121
 1033   2HB   ALA 127          2HB       ALA 127  46.643  -7.361  38.792
 1034   3HB   ALA 127          3HB       ALA 127  46.691  -6.610  40.383
 1035    H    GLU 128           H        GLU 128  46.286  -4.188  39.025
 1036    HA   GLU 128           HA       GLU 128  45.490  -3.685  36.236
 1037   1HB   GLU 128          1HB       GLU 128  47.248  -2.164  38.171
 1038   2HB   GLU 128          2HB       GLU 128  46.882  -1.627  36.539
 1039   1HG   GLU 128          1HG       GLU 128  44.513  -1.502  37.031
 1040   2HG   GLU 128          2HG       GLU 128  44.752  -2.272  38.598
 1041    H    ASN 129           H        ASN 129  46.877  -3.760  34.488
 1042    HA   ASN 129           HA       ASN 129  48.655  -4.643  33.226
 1043   1HB   ASN 129          1HB       ASN 129  50.048  -3.499  35.648
 1044   2HB   ASN 129          2HB       ASN 129  50.944  -4.206  34.305
 1045   1HD2  ASN 129          1HD2      ASN 129  50.709  -0.661  33.417
 1046   2HD2  ASN 129          2HD2      ASN 129  51.566  -1.653  34.495
 1047    H    MET 130           H        MET 130  47.730  -6.811  33.590
 1048    HA   MET 130           HA       MET 130  49.690  -8.508  35.004
 1049   1HB   MET 130          1HB       MET 130  47.155  -7.984  36.021
 1050   2HB   MET 130          2HB       MET 130  47.011  -9.579  35.296
 1051   1HG   MET 130          1HG       MET 130  47.730  -9.677  37.667
 1052   2HG   MET 130          2HG       MET 130  48.880 -10.400  36.588
 1053   1HE   MET 130          1HE       MET 130  49.514 -10.495  38.940
 1054   2HE   MET 130          2HE       MET 130  51.187  -9.941  38.932
 1055   3HE   MET 130          3HE       MET 130  49.997  -9.140  39.959
 1056    HA   PRO 131           HA       PRO 131  49.411 -10.595  31.041
 1057   1HB   PRO 131          1HB       PRO 131  50.403 -13.079  32.032
 1058   2HB   PRO 131          2HB       PRO 131  51.275 -11.857  31.106
 1059   1HG   PRO 131          1HG       PRO 131  51.510 -12.470  33.945
 1060   2HG   PRO 131          2HG       PRO 131  52.468 -11.334  32.993
 1061   1HD   PRO 131          1HD       PRO 131  50.468 -10.697  34.935
 1062   2HD   PRO 131          2HD       PRO 131  51.337  -9.571  33.878
 1063    H    VAL 132           H        VAL 132  47.967 -11.908  30.011
 1064    HA   VAL 132           HA       VAL 132  45.691 -12.915  31.511
 1065    HB   VAL 132           HB       VAL 132  46.449 -13.428  28.615
 1066   1HG1  VAL 132          1HG1      VAL 132  44.600 -14.829  29.684
 1067   2HG1  VAL 132          2HG1      VAL 132  43.708 -13.332  29.899
 1068   3HG1  VAL 132          3HG1      VAL 132  44.110 -13.888  28.283
 1069   1HG2  VAL 132          1HG2      VAL 132  45.075 -11.111  29.984
 1070   2HG2  VAL 132          2HG2      VAL 132  46.402 -11.065  28.828
 1071   3HG2  VAL 132          3HG2      VAL 132  44.777 -11.475  28.287
 1072    H    PHE 133           H        PHE 133  45.105 -15.140  31.805
 1073    HA   PHE 133           HA       PHE 133  47.062 -17.179  30.978
 1074   1HB   PHE 133          1HB       PHE 133  47.471 -17.973  33.258
 1075   2HB   PHE 133          2HB       PHE 133  48.032 -16.326  33.035
 1076    HD1  PHE 133           HD1      PHE 133  46.580 -14.409  33.862
 1077    HD2  PHE 133           HD2      PHE 133  45.697 -18.475  34.803
 1078    HE1  PHE 133           HE1      PHE 133  45.088 -13.675  35.670
 1079    HE2  PHE 133           HE2      PHE 133  44.212 -17.733  36.606
 1080    HZ   PHE 133           HZ       PHE 133  43.904 -15.334  37.041
 1081    H    LEU 134           H        LEU 134  46.455 -19.344  31.947
 1082    HA   LEU 134           HA       LEU 134  43.532 -19.663  31.658
 1083   1HB   LEU 134          1HB       LEU 134  45.547 -21.051  30.518
 1084   2HB   LEU 134          2HB       LEU 134  45.337 -21.988  31.988
 1085    HG   LEU 134           HG       LEU 134  42.858 -22.101  31.494
 1086   1HD1  LEU 134          1HD1      LEU 134  43.742 -20.364  29.274
 1087   2HD1  LEU 134          2HD1      LEU 134  42.723 -21.702  28.762
 1088   3HD1  LEU 134          3HD1      LEU 134  42.143 -20.564  29.966
 1089   1HD2  LEU 134          1HD2      LEU 134  44.584 -23.842  30.811
 1090   2HD2  LEU 134          2HD2      LEU 134  43.070 -23.864  29.926
 1091   3HD2  LEU 134          3HD2      LEU 134  44.504 -23.147  29.203
 1092    H    GLY 135           H        GLY 135  42.298 -20.090  33.373
 1093   1HA   GLY 135          1HA       GLY 135  43.646 -20.951  35.899
 1094   2HA   GLY 135          2HA       GLY 135  42.535 -19.595  35.913
 1095    H    GLY 136           H        GLY 136  42.372 -22.104  37.352
 1096   1HA   GLY 136          1HA       GLY 136  39.903 -23.280  36.160
 1097   2HA   GLY 136          2HA       GLY 136  40.932 -24.098  37.325
 1098    H    THR 137           H        THR 137  39.527 -20.860  37.212
 1099    HA   THR 137           HA       THR 137  38.100 -21.474  39.761
 1100    HB   THR 137           HB       THR 137  39.291 -18.742  39.343
 1101    HG1  THR 137           HG1      THR 137  41.207 -19.648  39.404
 1102   1HG2  THR 137          1HG2      THR 137  37.837 -19.763  41.364
 1103   2HG2  THR 137          2HG2      THR 137  39.412 -20.396  41.831
 1104   3HG2  THR 137          3HG2      THR 137  39.174 -18.659  41.666
 1105    H    LYS 138           H        LYS 138  36.097 -21.594  38.858
 1106    HA   LYS 138           HA       LYS 138  35.087 -19.798  36.859
 1107   1HB   LYS 138          1HB       LYS 138  34.210 -22.106  38.224
 1108   2HB   LYS 138          2HB       LYS 138  33.000 -20.873  38.540
 1109   1HG   LYS 138          1HG       LYS 138  33.023 -20.397  36.016
 1110   2HG   LYS 138          2HG       LYS 138  33.960 -21.878  35.845
 1111   1HD   LYS 138          1HD       LYS 138  31.259 -21.734  37.233
 1112   2HD   LYS 138          2HD       LYS 138  31.469 -22.202  35.550
 1113   1HE   LYS 138          1HE       LYS 138  33.099 -23.994  36.395
 1114   2HE   LYS 138          2HE       LYS 138  32.507 -23.634  38.012
 1115   1HZ   LYS 138          1HZ       LYS 138  30.263 -24.131  37.252
 1116   2HZ   LYS 138          2HZ       LYS 138  30.867 -24.543  35.720
 1117   3HZ   LYS 138          3HZ       LYS 138  31.300 -25.465  37.080
 1118    H    GLY 139           H        GLY 139  34.573 -17.702  37.120
 1119   1HA   GLY 139          1HA       GLY 139  33.981 -15.689  38.180
 1120   2HA   GLY 139          2HA       GLY 139  32.877 -16.681  39.130
 1121    H    GLY 140           H        GLY 140  33.208 -16.524  41.252
 1122   1HA   GLY 140          1HA       GLY 140  34.292 -16.235  43.303
 1123   2HA   GLY 140          2HA       GLY 140  35.681 -16.983  42.530
 1124    H    GLN 141           H        GLN 141  37.437 -15.759  42.535
 1125    HA   GLN 141           HA       GLN 141  37.128 -12.798  42.740
 1126   1HB   GLN 141          1HB       GLN 141  38.425 -13.814  44.531
 1127   2HB   GLN 141          2HB       GLN 141  39.456 -14.629  43.370
 1128   1HG   GLN 141          1HG       GLN 141  39.183 -11.622  43.302
 1129   2HG   GLN 141          2HG       GLN 141  40.286 -12.379  44.446
 1130   1HE2  GLN 141          1HE2      GLN 141  42.022 -13.936  41.443
 1131   2HE2  GLN 141          2HE2      GLN 141  41.084 -14.602  42.687
 1132    H    ASP 142           H        ASP 142  38.406 -15.352  40.754
 1133    HA   ASP 142           HA       ASP 142  39.956 -13.522  39.061
 1134   1HB   ASP 142          1HB       ASP 142  39.205 -16.424  38.608
 1135   2HB   ASP 142          2HB       ASP 142  40.420 -15.517  37.712
 1136    H    ILE 143           H        ILE 143  39.391 -12.809  37.018
 1137    HA   ILE 143           HA       ILE 143  36.486 -12.869  36.442
 1138    HB   ILE 143           HB       ILE 143  38.720 -11.357  35.046
 1139   1HG1  ILE 143          1HG1      ILE 143  36.680 -10.233  36.989
 1140   2HG1  ILE 143          2HG1      ILE 143  38.214 -10.871  37.560
 1141   1HG2  ILE 143          1HG2      ILE 143  36.629 -11.707  33.696
 1142   2HG2  ILE 143          2HG2      ILE 143  35.708 -10.945  34.987
 1143   3HG2  ILE 143          3HG2      ILE 143  36.903 -10.018  34.089
 1144   1HD1  ILE 143          1HD1      ILE 143  39.360  -9.302  35.906
 1145   2HD1  ILE 143          2HD1      ILE 143  37.788  -8.554  35.650
 1146   3HD1  ILE 143          3HD1      ILE 143  38.535  -8.509  37.241
 1147    H    THR 144           H        THR 144  35.961 -14.797  35.499
 1148    HA   THR 144           HA       THR 144  37.689 -15.855  33.333
 1149    HB   THR 144           HB       THR 144  36.181 -17.868  33.474
 1150    HG1  THR 144           HG1      THR 144  34.477 -16.236  34.205
 1151   1HG2  THR 144          1HG2      THR 144  38.037 -17.101  35.379
 1152   2HG2  THR 144          2HG2      THR 144  36.580 -17.289  36.351
 1153   3HG2  THR 144          3HG2      THR 144  37.185 -18.641  35.400
 1154    H    ASP 145           H        ASP 145  34.645 -14.260  33.812
 1155    HA   ASP 145           HA       ASP 145  33.484 -14.916  31.263
 1156   1HB   ASP 145          1HB       ASP 145  32.124 -12.795  31.743
 1157   2HB   ASP 145          2HB       ASP 145  32.003 -14.099  32.913
 1158    H    PHE 146           H        PHE 146  33.037 -13.225  29.599
 1159    HA   PHE 146           HA       PHE 146  35.060 -11.109  29.330
 1160   1HB   PHE 146          1HB       PHE 146  35.183 -13.668  27.816
 1161   2HB   PHE 146          2HB       PHE 146  35.500 -12.191  26.914
 1162    HD1  PHE 146           HD1      PHE 146  37.386 -10.719  27.547
 1163    HD2  PHE 146           HD2      PHE 146  36.707 -14.407  29.570
 1164    HE1  PHE 146           HE1      PHE 146  39.643 -10.614  28.505
 1165    HE2  PHE 146           HE2      PHE 146  38.965 -14.290  30.524
 1166    HZ   PHE 146           HZ       PHE 146  40.432 -12.402  29.985
 1167    H    THR 147           H        THR 147  34.816 -10.266  26.904
 1168    HA   THR 147           HA       THR 147  32.053 -10.402  25.981
 1169    HB   THR 147           HB       THR 147  31.897  -7.840  26.015
 1170    HG1  THR 147           HG1      THR 147  33.875  -7.149  26.466
 1171   1HG2  THR 147          1HG2      THR 147  30.823  -9.346  27.807
 1172   2HG2  THR 147          2HG2      THR 147  32.266  -9.055  28.773
 1173   3HG2  THR 147          3HG2      THR 147  31.217  -7.713  28.332
 1174    H    MET 148           H        MET 148  32.267 -10.727  23.894
 1175    HA   MET 148           HA       MET 148  34.649  -9.692  22.481
 1176   1HB   MET 148          1HB       MET 148  34.020 -12.028  22.091
 1177   2HB   MET 148          2HB       MET 148  32.416 -11.529  21.576
 1178   1HG   MET 148          1HG       MET 148  33.339 -10.333  19.679
 1179   2HG   MET 148          2HG       MET 148  34.966 -10.621  20.235
 1180   1HE   MET 148          1HE       MET 148  31.710 -12.018  19.302
 1181   2HE   MET 148          2HE       MET 148  32.289 -11.814  17.648
 1182   3HE   MET 148          3HE       MET 148  32.006 -13.432  18.291
 1183    H    GLN 149           H        GLN 149  34.465  -8.493  20.542
 1184    HA   GLN 149           HA       GLN 149  31.811  -7.279  20.013
 1185   1HB   GLN 149          1HB       GLN 149  33.995  -5.908  21.333
 1186   2HB   GLN 149          2HB       GLN 149  33.635  -5.127  19.800
 1187   1HG   GLN 149          1HG       GLN 149  31.136  -5.238  20.556
 1188   2HG   GLN 149          2HG       GLN 149  31.787  -5.567  22.160
 1189   1HE2  GLN 149          1HE2      GLN 149  31.392  -1.830  21.361
 1190   2HE2  GLN 149          2HE2      GLN 149  30.357  -3.133  21.025
 1191    H    PHE 150           H        PHE 150  31.411  -7.450  17.939
 1192    HA   PHE 150           HA       PHE 150  33.297  -8.230  15.953
 1193   1HB   PHE 150          1HB       PHE 150  30.550  -7.008  15.869
 1194   2HB   PHE 150          2HB       PHE 150  31.456  -7.221  14.380
 1195    HD1  PHE 150           HD1      PHE 150  30.484  -9.199  17.438
 1196    HD2  PHE 150           HD2      PHE 150  31.256  -9.259  13.243
 1197    HE1  PHE 150           HE1      PHE 150  29.797 -11.565  17.328
 1198    HE2  PHE 150           HE2      PHE 150  30.501 -11.576  13.141
 1199    HZ   PHE 150           HZ       PHE 150  29.796 -12.743  15.182
 1200    H    VAL 151           H        VAL 151  34.544  -7.073  14.518
 1201    HA   VAL 151           HA       VAL 151  34.481  -4.081  14.759
 1202    HB   VAL 151           HB       VAL 151  36.891  -4.108  14.187
 1203   1HG1  VAL 151          1HG1      VAL 151  36.068  -5.818  16.555
 1204   2HG1  VAL 151          2HG1      VAL 151  37.670  -5.121  16.353
 1205   3HG1  VAL 151          3HG1      VAL 151  36.272  -4.073  16.545
 1206   1HG2  VAL 151          1HG2      VAL 151  36.325  -7.047  13.994
 1207   2HG2  VAL 151          2HG2      VAL 151  37.320  -6.039  12.957
 1208   3HG2  VAL 151          3HG2      VAL 151  37.915  -6.537  14.535
 1209    H    SER 152           H        SER 152  35.066  -2.916  12.794
 1210    HA   SER 152           HA       SER 152  34.352  -4.468  10.329
 1211   1HB   SER 152          1HB       SER 152  32.627  -2.788  11.083
 1212   2HB   SER 152          2HB       SER 152  33.834  -1.519  10.798
 1213    HG   SER 152           HG       SER 152  33.461  -3.486   8.846
 1214    H    SER 153           H        SER 153  35.065  -3.170   8.305
 1215    HA   SER 153           HA       SER 153  37.716  -1.892   8.724
 1216   1HB   SER 153          1HB       SER 153  37.200  -4.308   6.959
 1217   2HB   SER 153          2HB       SER 153  38.684  -3.338   6.905
 1218    HG   SER 153           HG       SER 153  39.228  -4.600   8.518
 1219   1H    HOH   1          1H        HOH   1  41.777  -6.109  21.153
 1220   2H    HOH   1          2H        HOH   1  41.664  -7.114  22.280
 1221   1H    HOH   2          1H        HOH   2  39.363  -5.931  23.616
 1222   2H    HOH   2          2H        HOH   2  40.256  -4.788  23.182
 1223   1H    HOH   3          1H        HOH   3  49.203 -14.280  29.153
 1224   2H    HOH   3          2H        HOH   3  49.987 -14.279  27.857
 1225   1H    HOH   4          1H        HOH   4  43.881 -20.387  19.378
 1226   2H    HOH   4          2H        HOH   4  42.605 -21.104  18.991
 1227   1H    HOH   5          1H        HOH   5  36.142 -17.017  29.897
 1228   2H    HOH   5          2H        HOH   5  37.593 -17.307  30.218
 1229   1H    HOH   6          1H        HOH   6  45.751  -9.661  32.858
 1230   2H    HOH   6          2H        HOH   6  44.884 -10.469  33.800
 1231   1H    HOH   7          1H        HOH   7  45.544  -5.413  34.129
 1232   2H    HOH   7          2H        HOH   7  45.199  -6.388  35.234