*HEADER   DNA-BINDING PROTEIN                     24-AUG-95   1NER    
*TITLE    SOLUTION STRUCTURE OF THE MU NER PROTEIN BY MULTIDIMENSIONAL
*TITLE   2 NMR                                                        
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: DNA-BINDING PROTEIN NER;                         
*COMPND  3 CHAIN: NULL                                                
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: BACTERIOPHAGE MU                      
*EXPDTA   NMR, 30 STRUCTURES                                          
*AUTHOR   G.M.CLORE,T.E.STRZELECKA,A.M.GRONENBORN                     
*REVDAT  1   07-DEC-95 1NER    0                                      



REMARK  Experimental restraints used for the solution structure determination
REMARK  of the Mu Ner Protein by multidimensional NMR
REMARK
REMARK   Authors: G.M. Clore, T.E. Strzelecka and A.M. Gronenborn
REMARK            Laboratory of Chemical Physics, Bldg 5, Rm 132
REMARK            NIDDK, National Institutes of Health
REMARK            Bethesda, MD 20892
REMARK  Tel: (301) 496 0782; FAX (301) 496 0825; 
REMARK  e-mail: clore@vger.niddk.nih.gov
REMARK  
REMARK   References:
REMARK   Strzelecka, T.E., Clore, G.M. & Gronenborn, A.M. (1995)
REMARK   The solution structure of the Mu Ner Protein reveals a helix-turn-
REMARK   helix DNA recognition motif. Structure in press.
REMARK
REMARK   Related references:
REMARK   Gronenborn, A.M., Wingfield, P.T. & Clore, G.M. (1989)
REMARK   Determination of the secondary structure of the DNA binding protein
REMARK   Ner from phage Mu using 1H homonuclear and 15N-1H heteronuclear
REMARK   NMR spectroscopy. Biochemistry 28, 5081-5089.
REMARK
REMARK   The 3D structure of the Mu Ner protein by
REMARK   multi-dimensional heteronuclear NMR
REMARK   is based on 1546 experimental restraints comprising the following:
REMARK   944 interproton distance restraints [251 sequential; 202 short
REMARK   range (1<|i-j|<=5; 157 long range (|i-j|>5); and 334 intraresidue];
REMARK   40 distance restraints for 20 backbone hydrogen bonds;
REMARK   89 torsion angle restraints 56 phi, 27 ch1 and 6 chi2);
REMARK   46 3 bond HN-Ha coupling constants; 140 secondary 13C shifts
REMARK   (72 Ca and 68 Cb); 287 1H chemical shifts (74 Ha, 39 methyl
REMARK   and 174 other, with no exchangeable proton shifts).
REMARK
REMARK
REMARK   The structure was determined by simulated annealing [Nilges,
REMARK   Clore & Gronenborn (1988) FEBS Lett. 229, 317-324] using the
REMARK   program XPLOR (Brunger) modified to incorporate coupling constant
REMARK   [Garrett et al. & Clore (1994) J. Magn. Reson. B104, 99-103],
REMARK   carbon chemical shift [Kuszewski, Qin, Gronenborn & Clore (1995)
REMARK   J. Magn. Reson. B106, 92-96] and proton chemical shift
REMARK   [Kuszewski, Gronenborn & Clore (1995) J. Magn. Reson. B107, 293-297]
REMARK   restraints.

REMARK    The structures have been provided in a separate files:
REMARK    ner_brookhaven.pdb
REMARK
REMARK    The NOE restraints are given in (A), the torsion angle restraints
REMARK    in (B), the coupling constant restraints in (C), the
REMARK    carbon chemical shift restraints in (D), the 1H chemical shift
REMARK    restraints in (E).
REMARK    The complete set of 1H, 15N and 13C assignments is given in F.
REMARK
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.  
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 
sigma-1/6 sums

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.

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.

C. Three-bond HN-HA coupling constant restraints.
The value of the coupling constant is given by the first number, and the
second number has no meaning.

D. Ca and Cb carbon chemical shift restraints: the Ca shift is given 
by the first number and the Cb one by the second.

E. 1H chemical shift restraints

F. Complete list of 1H, 15N and 13C assignments


A. interproton distance restraints

assign (resid 8 and name HN)(resid 9 and name HN) 4.0 2.2 1.0
assign (resid 8 and name HB#)(resid 9 and name HN) 4.0 2.2 1.0
assign (resid 9 and name HN)(resid 10 and name HN) 4.0 2.2 1.0
assign (resid 9 and name HA)(resid 10 and name HN) 2.5 0.7 0.4
assign (resid 9 and name HB#)(resid 10 and name HN) 3.0 1.2 0.5
assign (resid 10 and name HA)(resid 11 and name HN) 2.5 0.7 0.4
assign (resid 10 and name HN)(resid 11 and name HN) 4.0 2.2 1.0
assign (resid 10 and name HB#)(resid 11 and name HN) 3.0 1.2 0.5
assign (resid 11 and name HA)(resid 12 and name HN) 3.0 1.2 0.5
assign (resid 11 and name HN)(resid 12 and name HN) 3.0 1.2 0.5
assign (resid 11 and name HB#)(resid 12 and name HN) 3.0 1.2 0.5
assign (resid 12 and name HN)(resid 13 and name HN) 3.0 1.2 0.5
assign (resid 12 and name HB#)(resid 13 and name HN) 3.0 1.2 1.0
assign (resid 13 and name HN)(resid 14 and name HN) 3.0 1.2 0.5
assign (resid 14 and name HA)(resid 15 and name HN) 4.0 2.2 1.0
assign (resid 14 and name HN)(resid 15 and name HN) 3.0 1.2 0.5
assign (resid 15 and name HA)(resid 16 and name HN) 4.0 2.2 1.0
assign (resid 15 and name HN)(resid 16 and name HN) 3.0 1.2 0.5
assign (resid 16 and name HA)(resid 17 and name HN) 4.0 2.2 1.0
assign (resid 16 and name HN)(resid 17 and name HN) 3.0 1.2 0.5
assign (resid 16 and name HB#)(resid 17 and name HN) 3.0 1.2 1.0
assign (resid 17 and name HN)(resid 18 and name HN) 3.0 1.2 0.5
assign (resid 18 and name HN)(resid 19 and name HN) 3.0 1.2 0.5
assign (resid 19 and name HA)(resid 20 and name HN) 4.0 2.2 1.0
assign (resid 19 and name HN)(resid 20 and name HN) 3.0 1.2 0.5
assign (resid 20 and name HN)(resid 21 and name HN) 2.5 0.7 0.4
assign (resid 21 and name HN)(resid 22 and name HN) 3.0 1.2 0.5
assign (resid 22 and name HA)(resid 23 and name HN) 4.0 2.2 1.0
assign (resid 23 and name HN)(resid 24 and name HN) 4.0 2.2 1.0
assign (resid 24 and name HA)(resid 25 and name HN) 2.5 0.7 0.4
assign (resid 24 and name HN)(resid 25 and name HN) 4.0 2.2 1.0
assign (resid 24 and name HB#)(resid 25 and name HN) 3.0 1.2 0.5
assign (resid 25 and name HA)(resid 26 and name HN) 3.0 1.2 0.5
assign (resid 25 and name HN)(resid 26 and name HN) 3.0 1.2 0.5
assign (resid 25 and name HB#)(resid 26 and name HN) 3.0 1.2 0.5
assign (resid 26 and name HA)(resid 27 and name HN) 4.0 2.2 1.0
assign (resid 26 and name HN)(resid 27 and name HN) 3.0 1.2 0.5
assign (resid 27 and name HN)(resid 28 and name HN) 2.5 0.7 0.4
assign (resid 28 and name HN)(resid 29 and name HN) 2.5 0.7 0.4
assign (resid 29 and name HA)(resid 30 and name HN) 4.0 2.2 1.0
assign (resid 29 and name HN)(resid 30 and name HN) 2.5 0.7 0.4
assign (resid 30 and name HN)(resid 31 and name HN) 2.5 0.7 0.4
assign (resid 31 and name HA)(resid 32 and name HN) 4.0 2.2 1.0
assign (resid 31 and name HN)(resid 32 and name HN) 2.5 0.7 0.4
assign (resid 31 and name HB#)(resid 32 and name HN) 3.0 1.2 0.5
assign (resid 32 and name HA)(resid 33 and name HN) 4.0 2.2 1.0
assign (resid 32 and name HN)(resid 33 and name HN) 2.5 0.7 0.4
assign (resid 32 and name HB#)(resid 33 and name HN) 3.0 1.2 0.5
assign (resid 33 and name HA#)(resid 34 and name HN) 4.0 2.2 1.0
assign (resid 33 and name HN)(resid 34 and name HN) 2.5 0.7 0.4
assign (resid 34 and name HN)(resid 35 and name HN) 4.0 2.2 1.0
assign (resid 34 and name HB#)(resid 35 and name HN) 3.0 1.2 0.5
assign (resid 37 and name HN)(resid 38 and name HN) 4.0 2.2 1.0
assign (resid 38 and name HA)(resid 39 and name HN) 4.0 2.2 1.0
assign (resid 38 and name HN)(resid 39 and name HN) 4.0 2.2 1.0
assign (resid 38 and name HB)(resid 39 and name HN) 4.0 2.2 1.0
assign (resid 39 and name HA)(resid 40 and name HN) 4.0 2.2 1.0
assign (resid 39 and name HN)(resid 40 and name HN) 3.0 1.2 0.5
assign (resid 39 and name HB#)(resid 40 and name HN) 4.0 2.2 1.0
assign (resid 40 and name HA)(resid 41 and name HN) 4.0 2.2 1.0
assign (resid 40 and name HN)(resid 41 and name HN) 4.0 2.2 1.0
assign (resid 40 and name HB#)(resid 41 and name HN) 3.0 1.2 1.0
assign (resid 41 and name HA)(resid 42 and name HN) 4.0 2.2 1.0
assign (resid 41 and name HN)(resid 42 and name HN) 4.0 2.2 1.0
assign (resid 41 and name HB#)(resid 42 and name HN) 3.0 1.2 0.5
assign (resid 42 and name HN)(resid 43 and name HN) 2.5 0.7 0.4
assign (resid 43 and name HA)(resid 44 and name HN) 4.0 2.2 1.0
assign (resid 43 and name HN)(resid 44 and name HN) 2.5 0.7 0.4
assign (resid 44 and name HA)(resid 45 and name HN) 4.0 2.2 1.0
assign (resid 44 and name HN)(resid 45 and name HN) 4.0 2.2 1.0
assign (resid 45 and name HN)(resid 46 and name HN) 4.0 2.2 1.0
assign (resid 45 and name HB#)(resid 46 and name HN) 4.0 2.2 1.0
assign (resid 46 and name HN)(resid 47 and name HN) 4.0 2.2 1.0
assign (resid 46 and name HB#)(resid 47 and name HN) 4.0 2.2 1.0
assign (resid 49 and name HA)(resid 50 and name HN) 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 50 and name HN)(resid 51 and name HN) 4.0 2.2 1.0
assign (resid 51 and name HA)(resid 52 and name HN) 4.0 2.2 1.0
assign (resid 51 and name HN)(resid 52 and name HN) 2.5 0.7 0.4
assign (resid 52 and name HN)(resid 53 and name HN) 2.5 0.7 0.4
assign (resid 52 and name HB#)(resid 53 and name HN) 4.0 2.2 1.0
assign (resid 53 and name HN)(resid 54 and name HN) 2.5 0.7 0.4
assign (resid 54 and name HA)(resid 55 and name HN) 4.0 2.2 1.0
assign (resid 54 and name HN)(resid 55 and name HN) 2.5 0.7 0.4
assign (resid 55 and name HA)(resid 56 and name HN) 4.0 2.2 1.0
assign (resid 55 and name HN)(resid 56 and name HN) 2.5 0.7 0.4
assign (resid 56 and name HA)(resid 57 and name HN) 4.0 2.2 1.0
assign (resid 56 and name HN)(resid 57 and name HN) 2.5 0.7 0.4
assign (resid 57 and name HN)(resid 58 and name HN) 2.5 0.7 0.4
assign (resid 57 and name HB#)(resid 58 and name HN) 4.0 2.2 1.5
assign (resid 58 and name HA)(resid 59 and name HN) 4.0 2.2 1.0
assign (resid 58 and name HN)(resid 59 and name HN) 2.5 0.7 0.4
assign (resid 58 and name HB#)(resid 59 and name HN) 4.0 2.2 1.0
assign (resid 59 and name HN)(resid 60 and name HN) 2.5 0.7 0.4
assign (resid 60 and name HB)(resid 61 and name HN) 4.0 2.2 1.0
assign (resid 62 and name HA)(resid 63 and name HN) 4.0 2.2 1.0
assign (resid 63 and name HN)(resid 64 and name HN) 3.0 1.2 0.5
assign (resid 63 and name HB#)(resid 64 and name HN) 4.0 2.2 1.0
assign (resid 64 and name HA)(resid 65 and name HN) 4.0 2.2 1.0
assign (resid 64 and name HN)(resid 65 and name HN) 3.0 1.2 0.5
assign (resid 64 and name HB)(resid 65 and name HN) 4.0 2.2 1.0
assign (resid 65 and name HN)(resid 66 and name HN) 3.0 1.2 0.5
assign (resid 65 and name HB)(resid 66 and name HN) 3.0 1.2 0.5
assign (resid 67 and name HA)(resid 68 and name HN) 4.0 2.2 1.0
assign (resid 68 and name HA)(resid 69 and name HN) 4.0 2.2 1.0
assign (resid 68 and name HN)(resid 69 and name HN) 4.0 2.2 1.0
assign (resid 68 and name HB#)(resid 69 and name HN) 4.0 2.2 1.0
assign (resid 69 and name HA)(resid 70 and name HN) 4.0 2.2 1.0
assign (resid 69 and name HN)(resid 70 and name HN) 3.0 1.2 0.5
assign (resid 69 and name HB#)(resid 70 and name HN) 4.0 2.2 1.0
assign (resid 70 and name HA)(resid 71 and name HN) 4.0 2.2 1.0
assign (resid 70 and name HN)(resid 71 and name HN) 4.0 2.2 1.0
assign (resid 70 and name HB#)(resid 71 and name HN) 4.0 2.2 1.0
assign (resid 71 and name HN)(resid 72 and name HN) 3.0 1.2 0.5
assign (resid 71 and name HB#)(resid 72 and name HN) 4.0 2.2 1.0
assign (resid 72 and name HA)(resid 73 and name HN) 4.0 2.2 1.0
assign (resid 72 and name HN)(resid 73 and name HN) 3.0 1.2 0.5
assign (resid 72 and name HB#)(resid 73 and name HN) 4.0 2.2 1.5
assign (resid 73 and name HA#)(resid 74 and name HN) 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 4 and name HG#)(resid 5 and name HD#) 4.0 2.2 1.0
assign (resid 6 and name HB#)(resid 7 and name HG#) 4.0 2.2 1.5
assign (resid 8 and name HA)(resid 9 and name HD1) 4.0 2.2 1.0
assign (resid 8 and name HB1)(resid 9 and name HB1) 4.0 2.2 2.0
assign (resid 14 and name HG1#)(resid 15 and name HD1#) 3.0 1.2 0.8
assign (resid 16 and name HA)(resid 17 and name HA2) 4.0 2.2 1.0
assign (resid 19 and name HD#)(resid 20 and name HA) 4.0 2.2 2.0
assign (resid 19 and name HB#)(resid 20 and name HA) 4.0 2.2 1.0
assign (resid 21 and name HA)(resid 22 and name HG#) 4.0 2.2 1.0
assign (resid 26 and name HB#)(resid 27 and name HB#) 4.0 2.2 1.5
assign (resid 30 and name HG1)(resid 31 and name HG1) 4.0 2.2 1.0
assign (resid 35 and name HB#)(resid 36 and name HD1) 3.0 1.2 0.8
assign (resid 35 and name HA)(resid 36 and name HD1) 3.0 1.2 0.3
assign (resid 35 and name HB#)(resid 36 and name HD2) 3.0 1.2 0.8
assign (resid 35 and name HA)(resid 36 and name HD2) 3.0 1.2 0.3
assign (resid 36 and name HG2)(resid 37 and name HG2#) 4.0 2.2 1.5
assign (resid 38 and name HG2#)(resid 39 and name HA) 4.0 2.2 1.5
assign (resid 42 and name HB#)(resid 43 and name HD2#) 4.0 2.2 1.5
assign (resid 47 and name HD1)(resid 48 and name HD2) 4.0 2.2 1.0
assign (resid 47 and name HA)(resid 48 and name HD1) 3.0 1.2 0.3
assign (resid 47 and name HA)(resid 48 and name HD2) 3.0 1.2 0.3
assign (resid 53 and name HG2#)(resid 54 and name HD1#) 4.0 2.2 1.5
assign (resid 54 and name HG2#)(resid 55 and name HB#) 3.0 1.2 0.8
assign (resid 54 and name HG2#)(resid 55 and name HA) 4.0 2.2 1.5
assign (resid 57 and name HB#)(resid 58 and name HD2#) 4.0 2.2 1.5
assign (resid 61 and name HB1)(resid 62 and name HD2) 3.0 1.2 0.3
assign (resid 61 and name HG2)(resid 62 and name HD2) 4.0 2.2 1.0
assign (resid 61 and name HD#)(resid 62 and name HD2) 4.0 2.2 1.0
assign (resid 61 and name HB2)(resid 62 and name HD2) 4.0 2.2 1.0
assign (resid 61 and name HA)(resid 62 and name HD1) 3.0 1.2 0.3
assign (resid 61 and name HA)(resid 62 and name HG2) 4.0 2.2 1.0
assign (resid 61 and name HA)(resid 62 and name HD2) 3.0 1.2 0.3
assign (resid 63 and name HG2)(resid 64 and name HG2#) 4.0 2.2 1.5
assign (resid 64 and name HG1#)(resid 65 and name HA) 4.0 2.2 1.5
assign (resid 64 and name HG2#)(resid 65 and name HD1#) 4.0 2.2 1.5
assign (resid 65 and name HG2#)(resid 66 and name HZ2) 4.0 2.2 2.5
assign (resid 66 and name HA)(resid 67 and name HG1) 4.0 2.2 1.0
assign (resid 66 and name HA)(resid 67 and name HD1) 4.0 2.2 1.0
assign (resid 66 and name HA)(resid 67 and name HD2) 3.0 1.2 0.3
assign (resid 5 and name HA)(resid 6 and name HB#) 4.0 2.2 1.5
assign (resid 15 and name HG2#)(resid 16 and name HB#) 4.0 2.2 1.5
assign (resid 30 and name HB#)(resid 31 and name HG1) 4.0 2.2 1.0
assign (resid 35 and name HA)(resid 36 and name HG1) 4.0 2.2 1.0
assign (resid 38 and name HG2#)(resid 39 and name HA) 4.0 2.2 1.5
assign (resid 60 and name HA)(resid 61 and name HG2) 4.0 2.2 1.0
assign (resid 61 and name HB1)(resid 62 and name HD2) 4.0 2.2 1.0
assign (resid 63 and name HB2)(resid 64 and name HA) 4.0 2.2 1.0
assign (resid 2 and name HA)(resid 3 and name HN) 4.0 2.2 1.0
assign (resid 2 and name HB1)(resid 3 and name HN) 4.0 2.2 1.0
assign (resid 3 and name HA)(resid 4 and name HN) 4.0 2.2 1.0
assign (resid 4 and name HA)(resid 5 and name HN) 3.0 1.2 0.5
assign (resid 5 and name HA)(resid 6 and name HN) 3.0 1.2 0.5
assign (resid 5 and name HB2)(resid 6 and name HN) 4.0 2.2 1.0
assign (resid 6 and name HB#)(resid 7 and name HN) 4.0 2.2 1.5
assign (resid 6 and name HA)(resid 7 and name HN) 3.0 1.2 0.5
assign (resid 7 and name HA)(resid 8 and name HN) 3.0 1.2 0.5
assign (resid 8 and name HA)(resid 9 and name HN) 3.0 1.2 0.5
assign (resid 11 and name HN)(resid 12 and name HB#) 4.0 2.2 1.5
assign (resid 13 and name HB1)(resid 14 and name HN) 4.0 2.2 1.0
assign (resid 13 and name HA)(resid 14 and name HN) 4.0 2.2 1.0
assign (resid 13 and name HB2)(resid 14 and name HN) 4.0 2.2 1.0
assign (resid 14 and name HB)(resid 15 and name HN) 3.0 1.2 0.5
assign (resid 15 and name HG2#)(resid 16 and name HN) 4.0 2.2 1.5
assign (resid 15 and name HB)(resid 16 and name HN) 3.0 1.2 0.5
assign (resid 16 and name HB#)(resid 17 and name HN) 2.5 0.7 0.9
assign (resid 16 and name HN)(resid 17 and name HA1) 4.0 2.2 1.0
assign (resid 17 and name HA1)(resid 18 and name HN) 4.0 2.2 1.0
assign (resid 18 and name HA)(resid 19 and name HN) 4.0 2.2 1.0
assign (resid 18 and name HB2)(resid 19 and name HN) 4.0 2.2 1.0
assign (resid 20 and name HA)(resid 21 and name HN) 4.0 2.2 1.0
assign (resid 21 and name HA)(resid 22 and name HN) 4.0 2.2 1.0
assign (resid 23 and name HA)(resid 24 and name HN) 2.5 0.7 0.4
assign (resid 23 and name HB1)(resid 24 and name HN) 3.0 1.2 0.5
assign (resid 26 and name HB#)(resid 27 and name HN) 4.0 2.2 1.0
assign (resid 27 and name HB#)(resid 28 and name HN) 3.0 1.2 1.0
assign (resid 27 and name HA)(resid 28 and name HN) 4.0 2.2 1.0
assign (resid 28 and name HA)(resid 29 and name HN) 4.0 2.2 1.0
assign (resid 28 and name HB1)(resid 29 and name HN) 4.0 2.2 1.0
assign (resid 28 and name HB2)(resid 29 and name HN) 4.0 2.2 1.0
assign (resid 31 and name HA)(resid 32 and name HN) 4.0 2.2 1.0
assign (resid 34 and name HA)(resid 35 and name HN) 3.0 1.2 0.5
assign (resid 37 and name HA)(resid 38 and name HN) 4.0 2.2 1.0
assign (resid 38 and name HB)(resid 39 and name HN) 4.0 2.2 1.0
assign (resid 41 and name HB2)(resid 42 and name HN) 4.0 2.2 1.0
assign (resid 42 and name HA)(resid 43 and name HN) 4.0 2.2 1.0
assign (resid 42 and name HB#)(resid 43 and name HN) 4.0 2.2 1.5
assign (resid 43 and name HN)(resid 44 and name HG#) 4.0 2.2 1.0
assign (resid 43 and name HB2)(resid 44 and name HN) 4.0 2.2 1.0
assign (resid 43 and name HB1)(resid 44 and name HN) 4.0 2.2 1.0
assign (resid 44 and name HB1)(resid 45 and name HN) 4.0 2.2 1.0
assign (resid 45 and name HA)(resid 46 and name HN) 3.0 1.2 0.5
assign (resid 46 and name HA)(resid 47 and name HN) 2.5 0.7 0.4
assign (resid 48 and name HB2)(resid 49 and name HN) 4.0 2.2 1.0
assign (resid 50 and name HA1)(resid 51 and name HN) 4.0 2.2 1.0
assign (resid 52 and name HA)(resid 53 and name HN) 4.0 2.2 1.0
assign (resid 53 and name HB)(resid 54 and name HN) 4.0 2.2 1.0
assign (resid 54 and name HB)(resid 55 and name HN) 4.0 2.2 1.0
assign (resid 54 and name HG2#)(resid 55 and name HN) 4.0 2.2 1.5
assign (resid 55 and name HB#)(resid 56 and name HN) 3.0 1.2 0.9
assign (resid 56 and name HB1)(resid 57 and name HN) 4.0 2.2 1.0
assign (resid 56 and name HB2)(resid 57 and name HN) 4.0 2.2 1.0
assign (resid 59 and name HB#)(resid 60 and name HN) 4.0 2.2 1.0
assign (resid 59 and name HA)(resid 60 and name HN) 3.0 1.2 0.5
assign (resid 60 and name HG2#)(resid 61 and name HN) 3.0 1.2 0.9
assign (resid 60 and name HA)(resid 61 and name HN) 4.0 2.2 1.0
assign (resid 62 and name HD2)(resid 63 and name HN) 4.0 2.2 1.0
assign (resid 63 and name HA)(resid 64 and name HN) 4.0 2.2 1.0
assign (resid 65 and name HB)(resid 66 and name HN) 3.0 1.2 0.5
assign (resid 67 and name HG2)(resid 68 and name HN) 3.0 1.2 0.5
assign (resid 71 and name HA)(resid 72 and name HN) 3.0 1.2 0.5
assign (resid 11 and name HB1)(resid 12 and name HN) 4.0 2.2 1.0
assign (resid 12 and name HB#)(resid 13 and name HN) 4.0 2.2 1.5
assign (resid 14 and name HG2#)(resid 15 and name HN) 4.0 2.2 1.5
assign (resid 19 and name HG2)(resid 20 and name HN) 4.0 2.2 1.0
assign (resid 20 and name HB#)(resid 21 and name HN) 4.0 2.2 1.0
assign (resid 22 and name HA)(resid 23 and name HN) 3.0 1.2 0.5
assign (resid 23 and name HD2#)(resid 24 and name HN) 4.0 2.2 1.5
assign (resid 28 and name HG)(resid 29 and name HN) 4.0 2.2 1.0
assign (resid 30 and name HB#)(resid 31 and name HN) 4.0 2.2 1.0
assign (resid 31 and name HB1)(resid 32 and name HN) 4.0 2.2 1.0
assign (resid 32 and name HA)(resid 33 and name HN) 3.0 1.2 0.5
assign (resid 39 and name HA)(resid 40 and name HN) 4.0 2.2 1.0
assign (resid 48 and name HD2)(resid 49 and name HN) 4.0 2.2 1.0
assign (resid 52 and name HG1)(resid 53 and name HN) 4.0 2.2 1.0
assign (resid 53 and name HG2#)(resid 54 and name HN) 4.0 2.2 1.5
assign (resid 57 and name HB#)(resid 58 and name HN) 3.0 1.2 0.9
assign (resid 62 and name HG2)(resid 63 and name HN) 4.0 2.2 1.0
assign (resid 62 and name HB1)(resid 63 and name HN) 4.0 2.2 1.0
assign (resid 63 and name HB1)(resid 64 and name HN) 4.0 2.2 1.0
assign (resid 67 and name HA)(resid 68 and name HN) 4.0 2.2 1.0
assign (resid 70 and name HN)(resid 71 and name HB2) 4.0 2.2 2.0

assign (resid 10 and name HN)(resid 13 and name HN) 4.0 2.2 1.0
assign (resid 10 and name HN)(resid 14 and name HN) 4.0 2.2 1.0
assign (resid 11 and name HN)(resid 13 and name HN) 4.0 2.2 1.0
assign (resid 11 and name HA)(resid 14 and name HB#) 3.0 1.2 0.5
assign (resid 12 and name HN)(resid 14 and name HN) 4.0 2.2 1.0
assign (resid 12 and name HN)(resid 15 and name HN) 4.0 2.2 1.0
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assign (resid 13 and name HN)(resid 16 and name HN) 4.0 2.2 1.0
assign (resid 14 and name HN)(resid 16 and name HN) 4.0 2.2 1.0
assign (resid 14 and name HA)(resid 16 and name HN) 4.0 2.2 1.0
assign (resid 16 and name HA)(resid 18 and name HN) 4.0 2.2 1.0
assign (resid 18 and name HA)(resid 20 and name HN) 4.0 2.2 1.0
assign (resid 19 and name HN)(resid 21 and name HN) 4.0 2.2 1.0
assign (resid 20 and name HA)(resid 22 and name HN) 4.0 2.2 2.0
assign (resid 20 and name HA)(resid 23 and name HN) 4.0 2.2 2.0
assign (resid 24 and name HN)(resid 27 and name HN) 4.0 2.2 1.0
assign (resid 24 and name HN)(resid 28 and name HN) 4.0 2.2 1.0
assign (resid 25 and name HN)(resid 27 and name HN) 4.0 2.2 1.0
assign (resid 27 and name HA)(resid 30 and name HN) 4.0 2.2 1.0
assign (resid 29 and name HA)(resid 31 and name HN) 4.0 2.2 1.0
assign (resid 29 and name HA)(resid 32 and name HN) 4.0 2.2 1.0
assign (resid 30 and name HA)(resid 33 and name HN) 4.0 2.2 1.0
assign (resid 31 and name HA)(resid 33 and name HN) 4.0 2.2 1.0
assign (resid 32 and name HA)(resid 34 and name HN) 4.0 2.2 1.0
assign (resid 33 and name HA#)(resid 35 and name HN) 4.0 2.2 1.0
assign (resid 35 and name HN)(resid 38 and name HN) 4.0 2.2 1.0
assign (resid 38 and name HN)(resid 40 and name HN) 4.0 2.2 1.0
assign (resid 40 and name HA)(resid 42 and name HN) 4.0 2.2 1.0
assign (resid 42 and name HN)(resid 44 and name HN) 4.0 2.2 1.0
assign (resid 42 and name HA)(resid 44 and name HN) 4.0 2.2 1.0
assign (resid 43 and name HN)(resid 45 and name HN) 4.0 2.2 2.0
assign (resid 49 and name HA)(resid 53 and name HN) 4.0 2.2 1.0
assign (resid 50 and name HN)(resid 52 and name HN) 4.0 2.2 1.0
assign (resid 50 and name HA#)(resid 53 and name HN) 4.0 2.2 1.0
assign (resid 52 and name HA)(resid 56 and name HN) 4.0 2.2 1.0
assign (resid 53 and name HN)(resid 55 and name HN) 4.0 2.2 1.0
assign (resid 53 and name HA)(resid 57 and name HN) 4.0 2.2 1.0
assign (resid 54 and name HN)(resid 56 and name HN) 4.0 2.2 1.0
assign (resid 54 and name HA)(resid 56 and name HN) 4.0 2.2 1.0
assign (resid 54 and name HA)(resid 57 and name HB#) 3.0 1.2 1.0
assign (resid 55 and name HN)(resid 57 and name HN) 4.0 2.2 1.0
assign (resid 55 and name HA)(resid 57 and name HN) 4.0 2.2 1.0
assign (resid 55 and name HN)(resid 58 and name HN) 4.0 2.2 2.0
assign (resid 56 and name HN)(resid 58 and name HN) 4.0 2.2 1.0
assign (resid 56 and name HA)(resid 58 and name HN) 4.0 2.2 1.0
assign (resid 56 and name HA)(resid 59 and name HN) 4.0 2.2 1.0
assign (resid 56 and name HA)(resid 60 and name HN) 4.0 2.2 1.0
assign (resid 57 and name HA)(resid 60 and name HN) 4.0 2.2 2.0
assign (resid 58 and name HN)(resid 60 and name HN) 4.0 2.2 1.0
assign (resid 63 and name HN)(resid 65 and name HN) 4.0 2.2 1.0
assign (resid 63 and name HA)(resid 65 and name HN) 4.0 2.2 1.0
assign (resid 64 and name HN)(resid 66 and name HN) 4.0 2.2 1.0
assign (resid 66 and name HA)(resid 68 and name HN) 4.0 2.2 1.0
assign (resid 67 and name HA)(resid 70 and name HN) 4.0 2.2 1.0
assign (resid 68 and name HN)(resid 70 and name HN) 4.0 2.2 1.0
assign (resid 68 and name HA)(resid 70 and name HN) 4.0 2.2 1.0
assign (resid 3 and name HB1)(resid 6 and name HB#) 4.0 2.2 1.5
assign (resid 9 and name HB2)(resid 13 and name HA) 4.0 2.2 2.0
assign (resid 9 and name HE3)(resid 14 and name HG2#) 3.0 1.2 0.8
assign (resid 9 and name HZ3)(resid 14 and name HG2#) 4.0 2.2 1.5
assign (resid 9 and name HZ3)(resid 14 and name HA) 4.0 2.2 1.0
assign (resid 9 and name HE3)(resid 14 and name HA) 3.0 1.2 0.3
assign (resid 9 and name HB2)(resid 14 and name HG2#) 4.0 2.2 1.5
assign (resid 9 and name HB1)(resid 14 and name HG2#) 4.0 2.2 1.5
assign (resid 11 and name HA)(resid 14 and name HG2#) 3.0 1.2 0.8
assign (resid 11 and name HA)(resid 14 and name HB) 4.0 2.2 1.5
assign (resid 12 and name HA)(resid 15 and name HD1#) 3.0 1.2 0.8
assign (resid 12 and name HA)(resid 15 and name HG11) 4.0 2.2 1.0
assign (resid 12 and name HA)(resid 15 and name HA) 4.0 2.2 2.0
assign (resid 12 and name HA)(resid 15 and name HB) 3.0 1.2 0.3
assign (resid 12 and name HB#)(resid 15 and name HB) 4.0 2.2 1.5
assign (resid 12 and name HB#)(resid 15 and name HG11) 4.0 2.2 1.5
assign (resid 13 and name HA)(resid 16 and name HB#) 3.0 1.2 0.8
assign (resid 15 and name HA)(resid 18 and name HB2) 4.0 2.2 1.0
assign (resid 15 and name HG2#)(resid 18 and name HD1#) 4.0 2.2 1.5
assign (resid 15 and name HA)(resid 18 and name HD1#) 4.0 2.2 1.5
assign (resid 15 and name HG2#)(resid 19 and name HG2) 4.0 2.2 1.5
assign (resid 15 and name HB)(resid 19 and name HD#) 4.0 2.2 1.0
assign (resid 15 and name HG2#)(resid 19 and name HE#) 3.0 1.2 0.8
assign (resid 15 and name HG2#)(resid 19 and name HD#) 3.0 1.2 0.8
assign (resid 16 and name HB#)(resid 19 and name HB#) 4.0 2.2 1.5
assign (resid 18 and name HD2#)(resid 23 and name HB1) 4.0 2.2 1.5
assign (resid 18 and name HA)(resid 23 and name HD1#) 4.0 2.2 1.5
assign (resid 18 and name HD2#)(resid 23 and name HD1#) 3.0 1.2 0.8
assign (resid 19 and name HA)(resid 22 and name HA) 4.0 2.2 1.0
assign (resid 20 and name HA)(resid 22 and name HA) 4.0 2.2 2.0
assign (resid 21 and name HD2)(resid 23 and name HD1#) 4.0 2.2 1.5
assign (resid 21 and name HB2)(resid 23 and name HD1#) 4.0 2.2 1.5
assign (resid 21 and name HG#)(resid 23 and name HD1#) 4.0 2.2 1.5
assign (resid 21 and name HB1)(resid 23 and name HD1#) 4.0 2.2 1.5
assign (resid 25 and name HA)(resid 28 and name HB1) 4.0 2.2 1.0
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assign (resid 26 and name HA)(resid 29 and name HB1) 4.0 2.2 1.0
assign (resid 28 and name HD2#)(resid 32 and name HD1) 4.0 2.2 1.5
assign (resid 32 and name HB1)(resid 34 and name HE1) 4.0 2.2 1.0
assign (resid 32 and name HB2)(resid 34 and name HE1) 4.0 2.2 1.0
assign (resid 34 and name HE1)(resid 38 and name HG2#) 4.0 2.2 1.5
assign (resid 34 and name HB1)(resid 38 and name HB) 3.0 1.2 0.3
assign (resid 34 and name HB2)(resid 38 and name HB) 3.0 1.2 0.3
assign (resid 34 and name HD1)(resid 38 and name HG2#) 3.0 1.2 0.8
assign (resid 34 and name HD1)(resid 38 and name HB) 4.0 2.2 1.0
assign (resid 35 and name HB#)(resid 37 and name HG2#) 4.0 2.2 1.5
assign (resid 37 and name HG2#)(resid 40 and name HB#) 4.0 2.2 1.5
assign (resid 37 and name HA)(resid 40 and name HB#) 3.0 1.2 0.8
assign (resid 37 and name HB)(resid 40 and name HB#) 4.0 2.2 1.5
assign (resid 39 and name HD1#)(resid 42 and name HB#) 3.0 1.2 0.8
assign (resid 40 and name HA)(resid 43 and name HG) 4.0 2.2 1.0
assign (resid 40 and name HA)(resid 43 and name HD2#) 4.0 2.2 1.5
assign (resid 40 and name HA)(resid 43 and name HD1#) 3.0 1.2 0.8
assign (resid 40 and name HB#)(resid 43 and name HD1#) 3.0 1.2 0.8
assign (resid 42 and name HB#)(resid 47 and name HE3) 3.0 1.2 0.8
assign (resid 46 and name HA)(resid 48 and name HG1) 4.0 2.2 1.0
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assign (resid 50 and name HA2)(resid 53 and name HD1#) 4.0 2.2 1.5
assign (resid 50 and name HA1)(resid 53 and name HD1#) 4.0 2.2 1.5
assign (resid 51 and name HA)(resid 54 and name HB) 4.0 2.2 1.0
assign (resid 52 and name HA)(resid 55 and name HB#) 3.0 1.2 0.8
assign (resid 53 and name HA)(resid 56 and name HB2) 4.0 2.2 1.0
assign (resid 54 and name HG2#)(resid 58 and name HG) 4.0 2.2 1.5
assign (resid 54 and name HG2#)(resid 58 and name HD1#) 3.0 1.2 0.8
assign (resid 55 and name HA)(resid 58 and name HB1) 4.0 2.2 1.0
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assign (resid 55 and name HA)(resid 58 and name HD1#) 4.0 2.2 1.5
assign (resid 55 and name HB#)(resid 60 and name HG2#) 3.0 1.2 0.8
assign (resid 55 and name HA)(resid 60 and name HG2#) 3.0 1.2 0.8
assign (resid 58 and name HD1#)(resid 60 and name HG2#) 4.0 2.2 1.5
assign (resid 58 and name HB1)(resid 60 and name HG2#) 3.0 1.2 0.8
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assign (resid 60 and name HG2#)(resid 64 and name HB) 4.0 2.2 1.5
assign (resid 60 and name HG2#)(resid 65 and name HD1#) 3.0 1.2 0.8
assign (resid 60 and name HG2#)(resid 65 and name HA) 4.0 2.2 1.5
assign (resid 60 and name HG2#)(resid 65 and name HG12) 4.0 2.2 1.5
assign (resid 61 and name HB1)(resid 64 and name HG2#) 4.0 2.2 1.5
assign (resid 61 and name HB2)(resid 64 and name HG2#) 4.0 2.2 1.5
assign (resid 61 and name HE#)(resid 64 and name HG2#) 4.0 2.2 1.5
assign (resid 61 and name HE#)(resid 64 and name HG1#) 4.0 2.2 1.5
assign (resid 61 and name HD#)(resid 64 and name HG2#) 4.0 2.2 1.5
assign (resid 62 and name HA)(resid 65 and name HB) 4.0 2.2 1.0
assign (resid 62 and name HA)(resid 65 and name HD1#) 4.0 2.2 1.5
assign (resid 62 and name HA)(resid 66 and name HE3) 4.0 2.2 1.0
assign (resid 63 and name HA)(resid 67 and name HA) 4.0 2.2 1.0
assign (resid 65 and name HA)(resid 67 and name HD2) 4.0 2.2 1.0
assign (resid 9 and name HB1)(resid 13 and name HB2) 4.0 2.2 1.0
assign (resid 10 and name HB2)(resid 12 and name HB#) 4.0 2.2 1.5
assign (resid 11 and name HD#)(resid 15 and name HD1#) 4.0 2.2 1.5
assign (resid 12 and name HA)(resid 15 and name HG2#) 4.0 2.2 1.5
assign (resid 12 and name HA)(resid 15 and name HB) 3.0 1.2 0.3
assign (resid 14 and name HG1#)(resid 18 and name HD1#) 3.0 1.2 0.8
assign (resid 15 and name HG2#)(resid 19 and name HB#) 4.0 2.2 1.5
assign (resid 16 and name HA)(resid 19 and name HD#) 4.0 2.2 1.0
assign (resid 16 and name HA)(resid 19 and name HB#) 3.0 1.2 0.3
assign (resid 16 and name HB#)(resid 20 and name HB#) 4.0 2.2 1.5
assign (resid 17 and name HA2)(resid 20 and name HD#) 4.0 2.2 1.0
assign (resid 23 and name HA)(resid 27 and name HB#) 4.0 2.2 1.5
assign (resid 23 and name HD2#)(resid 27 and name HB#) 4.0 2.2 1.5
assign (resid 26 and name HA)(resid 29 and name HB2) 4.0 2.2 1.0
assign (resid 27 and name HA)(resid 30 and name HD#) 4.0 2.2 1.0
assign (resid 27 and name HA)(resid 30 and name HB#) 4.0 2.2 1.0
assign (resid 28 and name HA)(resid 31 and name HB1) 4.0 2.2 1.0
assign (resid 28 and name HA)(resid 31 and name HB2) 4.0 2.2 1.0
assign (resid 38 and name HG2#)(resid 42 and name HB#) 4.0 2.2 1.5
assign (resid 39 and name HA)(resid 42 and name HB#) 4.0 2.2 1.5
assign (resid 42 and name HA)(resid 47 and name HE3) 4.0 2.2 1.0
assign (resid 42 and name HA)(resid 47 and name HB2) 4.0 2.2 1.0
assign (resid 49 and name HA)(resid 52 and name HB1) 4.0 2.2 1.0
assign (resid 49 and name HE2)(resid 52 and name HB2) 4.0 2.2 1.0
assign (resid 54 and name HA)(resid 57 and name HB#) 3.0 1.2 0.8
assign (resid 54 and name HG2#)(resid 58 and name HD2#) 4.0 2.2 1.5
assign (resid 58 and name HG)(resid 60 and name HG2#) 4.0 2.2 1.5
assign (resid 61 and name HB1)(resid 64 and name HG2#) 4.0 2.2 1.5
assign (resid 61 and name HB2)(resid 64 and name HG2#) 3.0 1.2 0.8
assign (resid 61 and name HD#)(resid 64 and name HG2#) 3.0 1.2 0.8
assign (resid 61 and name HG1)(resid 64 and name HG2#) 4.0 2.2 1.5
assign (resid 62 and name HA)(resid 65 and name HD1#) 4.0 2.2 1.0
assign (resid 10 and name HB2)(resid 13 and name HN) 4.0 2.2 1.0
assign (resid 10 and name HN)(resid 13 and name HB2) 4.0 2.2 1.0
assign (resid 11 and name HA)(resid 14 and name HN) 4.0 2.2 1.0
assign (resid 13 and name HA)(resid 16 and name HN) 4.0 2.2 1.0
assign (resid 14 and name HG1#)(resid 18 and name HN) 4.0 2.2 1.5
assign (resid 15 and name HA)(resid 18 and name HN) 4.0 2.2 1.0
assign (resid 17 and name HA1)(resid 20 and name HN) 4.0 2.2 1.0
assign (resid 19 and name HA)(resid 23 and name HN) 4.0 2.2 1.0
assign (resid 20 and name HN)(resid 22 and name HA) 4.0 2.2 2.0
assign (resid 23 and name HD1#)(resid 25 and name HN) 4.0 2.2 2.5
assign (resid 28 and name HA)(resid 31 and name HN) 3.0 1.2 0.5
assign (resid 35 and name HB#)(resid 38 and name HN) 4.0 2.2 1.5
assign (resid 40 and name HA)(resid 43 and name HN) 4.0 2.2 1.0
assign (resid 42 and name HN)(resid 47 and name HE3) 4.0 2.2 1.0
assign (resid 49 and name HA)(resid 52 and name HN) 3.0 1.2 0.5
assign (resid 50 and name HA2)(resid 54 and name HN) 4.0 2.2 1.0
assign (resid 52 and name HA)(resid 55 and name HN) 4.0 2.2 1.0
assign (resid 54 and name HA)(resid 57 and name HN) 4.0 2.2 1.0
assign (resid 55 and name HA)(resid 58 and name HN) 4.0 2.2 1.0
assign (resid 58 and name HA)(resid 60 and name HN) 4.0 2.2 1.0
assign (resid 61 and name HB1)(resid 63 and name HN) 4.0 2.2 1.0
assign (resid 61 and name HN)(resid 64 and name HG2#) 4.0 2.2 1.5
assign (resid 63 and name HA)(resid 66 and name HN) 4.0 2.2 1.0
assign (resid 12 and name HA)(resid 16 and name HN) 2.5 0.7 0.4
assign (resid 24 and name HN)(resid 27 and name HB#) 3.0 1.2 1.0
assign (resid 28 and name HN)(resid 31 and name HG1) 4.0 2.2 1.0
assign (resid 32 and name HA)(resid 34 and name HN) 4.0 2.2 1.0
assign (resid 53 and name HA)(resid 56 and name HN) 4.0 2.2 1.0

assign (resid 7 and name HG#)(resid 69 and name HA) 4.0 2.2 2.0
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assign (resid 8 and name HA)(resid 67 and name HD1) 4.0 2.2 1.0
assign (resid 8 and name HA)(resid 67 and name HD2) 4.0 2.2 1.0
assign (resid 9 and name HE3)(resid 18 and name HD1#) 4.0 2.2 1.5
assign (resid 9 and name HZ3)(resid 58 and name HD1#) 4.0 2.2 1.5
assign (resid 9 and name HZ2)(resid 60 and name HG2#) 4.0 2.2 1.5
assign (resid 9 and name HH2)(resid 64 and name HG2#) 4.0 2.2 2.5
assign (resid 9 and name HZ2)(resid 64 and name HG1#) 4.0 2.2 1.5
assign (resid 9 and name HD1)(resid 65 and name HA) 4.0 2.2 1.0
assign (resid 9 and name HB1)(resid 65 and name HG2#) 4.0 2.2 1.5
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assign (resid 11 and name HA)(resid 43 and name HD1#) 4.0 2.2 1.5
assign (resid 11 and name HB1)(resid 43 and name HD2#) 4.0 2.2 1.5
assign (resid 11 and name HA)(resid 43 and name HD2#) 4.0 2.2 1.5
assign (resid 11 and name HB1)(resid 43 and name HD1#) 4.0 2.2 1.5
assign (resid 14 and name HB)(resid 43 and name HD2#) 4.0 2.2 1.5
assign (resid 14 and name HG1#)(resid 43 and name HD2#) 3.0 1.2 0.8
assign (resid 14 and name HA)(resid 54 and name HG2#) 4.0 2.2 1.5
assign (resid 14 and name HG1#)(resid 54 and name HG2#) 3.0 1.2 0.8
assign (resid 14 and name HB)(resid 54 and name HG2#) 4.0 2.2 1.5
assign (resid 14 and name HG1#)(resid 54 and name HD1#) 4.0 2.2 1.5
assign (resid 14 and name HG2#)(resid 54 and name HG2#) 4.0 2.2 1.5
assign (resid 14 and name HA)(resid 58 and name HD1#) 4.0 2.2 1.5
assign (resid 14 and name HG1#)(resid 65 and name HD1#) 4.0 2.2 1.5
assign (resid 14 and name HG2#)(resid 65 and name HG2#) 3.0 1.2 0.8
assign (resid 14 and name HG2#)(resid 65 and name HD1#) 4.0 2.2 1.5
assign (resid 14 and name HG2#)(resid 66 and name HZ2) 4.0 2.2 1.5
assign (resid 15 and name HD1#)(resid 25 and name HG) 3.0 1.2 0.8
assign (resid 15 and name HD1#)(resid 25 and name HD1#) 2.5 0.7 0.7
assign (resid 15 and name HG2#)(resid 28 and name HD2#) 4.0 2.2 2.0
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assign (resid 17 and name HA1)(resid 58 and name HD2#) 4.0 2.2 1.5
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assign (resid 18 and name HD2#)(resid 54 and name HG2#) 3.0 1.2 0.8
assign (resid 18 and name HD2#)(resid 57 and name HB#) 3.0 1.2 0.8
assign (resid 18 and name HA)(resid 58 and name HD2#) 3.0 1.2 0.8
assign (resid 18 and name HD2#)(resid 58 and name HA) 4.0 2.2 1.5
assign (resid 21 and name HD1)(resid 58 and name HA) 4.0 2.2 1.0
assign (resid 21 and name HD1)(resid 58 and name HD2#) 3.0 1.2 0.8
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assign (resid 23 and name HD1#)(resid 54 and name HG12) 4.0 2.2 1.5
assign (resid 23 and name HD1#)(resid 57 and name HA) 4.0 2.2 1.5
assign (resid 23 and name HD2#)(resid 58 and name HG) 4.0 2.2 1.5
assign (resid 25 and name HD2#)(resid 40 and name HA) 4.0 2.2 1.5
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assign (resid 25 and name HB1)(resid 54 and name HD1#) 4.0 2.2 1.5
assign (resid 25 and name HD2#)(resid 54 and name HG12) 4.0 2.2 1.5
assign (resid 25 and name HD2#)(resid 54 and name HD1#) 3.0 1.2 0.8
assign (resid 25 and name HD2#)(resid 54 and name HG11) 4.0 2.2 1.5
assign (resid 26 and name HA)(resid 36 and name HA) 4.0 2.2 1.0
assign (resid 28 and name HB2)(resid 39 and name HD1#) 3.0 1.2 0.8
assign (resid 28 and name HB2)(resid 53 and name HG2#) 4.0 2.2 1.5
assign (resid 28 and name HG)(resid 53 and name HG2#) 4.0 2.2 1.5
assign (resid 28 and name HB1)(resid 53 and name HG2#) 3.0 1.2 0.8
assign (resid 28 and name HD2#)(resid 53 and name HG2#) 3.0 1.2 0.8
assign (resid 28 and name HD2#)(resid 54 and name HA) 3.0 1.2 0.8
assign (resid 28 and name HD1#)(resid 54 and name HG2#) 4.0 2.2 1.5
assign (resid 28 and name HD2#)(resid 57 and name HA) 4.0 2.2 1.5
assign (resid 29 and name HA)(resid 39 and name HB1) 4.0 2.2 1.0
assign (resid 29 and name HB1)(resid 39 and name HD1#) 4.0 2.2 1.5
assign (resid 29 and name HA)(resid 39 and name HD1#) 4.0 2.2 1.5
assign (resid 32 and name HB1)(resid 53 and name HD1#) 4.0 2.2 1.5
assign (resid 32 and name HB2)(resid 53 and name HD1#) 4.0 2.2 1.5
assign (resid 32 and name HD1)(resid 53 and name HG2#) 4.0 2.2 1.5
assign (resid 34 and name HD1)(resid 47 and name HZ2) 4.0 2.2 1.0
assign (resid 34 and name HE1)(resid 53 and name HD1#) 3.0 1.2 0.8
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assign (resid 38 and name HG2#)(resid 47 and name HZ3) 3.0 1.2 0.8
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assign (resid 39 and name HA)(resid 47 and name HE3) 4.0 2.2 1.0
assign (resid 39 and name HD1#)(resid 47 and name HE3) 4.0 2.2 1.5
assign (resid 39 and name HD1#)(resid 47 and name HZ3) 4.0 2.2 1.5
assign (resid 39 and name HA)(resid 47 and name HZ3) 3.0 1.2 0.3
assign (resid 39 and name HD1#)(resid 47 and name HH2) 4.0 2.2 1.5
assign (resid 39 and name HD1#)(resid 50 and name HA1) 4.0 2.2 1.5
assign (resid 39 and name HD1#)(resid 50 and name HA2) 3.0 1.2 0.8
assign (resid 39 and name HD1#)(resid 53 and name HB) 4.0 2.2 1.5
assign (resid 39 and name HD1#)(resid 53 and name HG2#) 3.0 1.2 0.8
assign (resid 39 and name HD1#)(resid 53 and name HD1#) 3.0 1.2 0.8
assign (resid 39 and name HB1)(resid 54 and name HD1#) 4.0 2.2 1.5
assign (resid 39 and name HD1#)(resid 54 and name HD1#) 3.0 1.2 0.8
assign (resid 39 and name HD1#)(resid 54 and name HG12) 3.0 1.2 0.8
assign (resid 39 and name HD2#)(resid 54 and name HG2#) 4.0 2.2 2.0
assign (resid 39 and name HG)(resid 54 and name HD1#) 4.0 2.2 1.5
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assign (resid 42 and name HB#)(resid 50 and name HA1) 3.0 1.2 0.8
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assign (resid 42 and name HB#)(resid 54 and name HD1#) 3.0 1.2 0.8
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assign (resid 43 and name HD2#)(resid 54 and name HG2#) 4.0 2.2 1.5
assign (resid 43 and name HD2#)(resid 66 and name HZ3) 4.0 2.2 1.5
assign (resid 43 and name HD2#)(resid 66 and name HZ2) 3.0 1.2 0.8
assign (resid 51 and name HA)(resid 66 and name HZ3) 4.0 2.2 1.0
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assign (resid 54 and name HG2#)(resid 65 and name HG2#) 4.0 2.2 1.5
assign (resid 54 and name HG2#)(resid 65 and name HD1#) 3.0 1.2 0.8
assign (resid 54 and name HG2#)(resid 66 and name HH2) 3.0 1.2 0.8
assign (resid 54 and name HD1#)(resid 66 and name HH2) 4.0 2.2 1.5
assign (resid 54 and name HB)(resid 66 and name HH2) 4.0 2.2 1.0
assign (resid 54 and name HD1#)(resid 66 and name HZ2) 4.0 2.2 1.5
assign (resid 54 and name HG2#)(resid 66 and name HZ2) 4.0 2.2 1.5
assign (resid 55 and name HB#)(resid 61 and name HB1) 4.0 2.2 1.5
assign (resid 55 and name HB#)(resid 61 and name HA) 3.0 1.2 0.8
assign (resid 55 and name HB#)(resid 62 and name HB1) 4.0 2.2 1.5
assign (resid 55 and name HB#)(resid 62 and name HA) 3.0 1.2 0.8
assign (resid 55 and name HB#)(resid 62 and name HG2) 4.0 2.2 1.5
assign (resid 55 and name HB#)(resid 62 and name HD1) 3.0 1.2 0.8
assign (resid 55 and name HA)(resid 65 and name HD1#) 3.0 1.2 0.8
assign (resid 55 and name HB#)(resid 65 and name HD1#) 3.0 1.2 0.8
assign (resid 55 and name HB#)(resid 66 and name HZ3) 4.0 2.2 1.5
assign (resid 58 and name HD1#)(resid 64 and name HG2#) 4.0 2.2 1.5
assign (resid 58 and name HD1#)(resid 65 and name HG2#) 4.0 2.2 1.5
assign (resid 58 and name HD1#)(resid 65 and name HD1#) 3.0 1.2 0.8
assign (resid 62 and name HB1)(resid 70 and name HE1) 4.0 2.2 1.0
assign (resid 63 and name HA)(resid 70 and name HD1) 3.0 1.2 0.3
assign (resid 11 and name HD#)(resid 43 and name HD1#) 4.0 2.2 1.5
assign (resid 17 and name HA1)(resid 58 and name HD2#) 4.0 2.2 1.5
assign (resid 18 and name HD2#)(resid 57 and name HB#) 3.0 1.2 0.8
assign (resid 18 and name HD1#)(resid 57 and name HB#) 4.0 2.2 1.5
assign (resid 18 and name HG)(resid 58 and name HD2#) 3.0 1.2 0.8
assign (resid 23 and name HD1#)(resid 57 and name HB#) 3.0 1.2 0.8
assign (resid 25 and name HB1)(resid 39 and name HG) 3.0 1.2 0.3
assign (resid 28 and name HB2)(resid 53 and name HG2#) 4.0 2.2 1.5
assign (resid 28 and name HD2#)(resid 57 and name HB#) 2.5 0.7 0.7
assign (resid 29 and name HB1)(resid 39 and name HD2#) 4.0 2.2 1.5
assign (resid 29 and name HA)(resid 39 and name HG) 4.0 2.2 1.0
assign (resid 32 and name HD1)(resid 53 and name HD1#) 4.0 2.2 1.5
assign (resid 38 and name HG2#)(resid 47 and name HZ3) 3.0 1.2 0.8
assign (resid 39 and name HD1#)(resid 50 and name HA1) 3.0 1.2 0.8
assign (resid 39 and name HD1#)(resid 54 and name HG11) 4.0 2.2 1.5
assign (resid 39 and name HD1#)(resid 54 and name HG12) 4.0 2.2 1.5
assign (resid 52 and name HA)(resid 62 and name HG2) 4.0 2.2 1.0
assign (resid 52 and name HA)(resid 62 and name HG1) 3.0 1.2 0.3
assign (resid 55 and name HB#)(resid 61 and name HA) 3.0 1.2 0.8
assign (resid 55 and name HB#)(resid 62 and name HG1) 4.0 2.2 1.5
assign (resid 55 and name HB#)(resid 62 and name HB2) 4.0 2.2 1.5
assign (resid 5 and name HA)(resid 11 and name HN) 4.0 2.2 1.0
assign (resid 7 and name HG#)(resid 69 and name HN) 4.0 2.2 2.0
assign (resid 8 and name HA)(resid 68 and name HN) 4.0 2.2 1.0
assign (resid 9 and name HE1)(resid 64 and name HG1#) 3.0 1.2 1.0
assign (resid 9 and name HE1)(resid 65 and name HA) 4.0 2.2 1.0
assign (resid 9 and name HN)(resid 67 and name HD2) 4.0 2.2 1.0
assign (resid 18 and name HD1#)(resid 56 and name HN) 4.0 2.2 2.5
assign (resid 18 and name HN)(resid 58 and name HD2#) 4.0 2.2 1.5
assign (resid 25 and name HB1)(resid 40 and name HN) 4.0 2.2 1.0
assign (resid 25 and name HD2#)(resid 42 and name HN) 4.0 2.2 1.5
assign (resid 29 and name HN)(resid 39 and name HD1#) 4.0 2.2 1.5
assign (resid 55 and name HB#)(resid 61 and name HN) 4.0 2.2 1.5
assign (resid 9 and name HE1)(resid 65 and name HA) 4.0 2.2 1.0
assign (resid 15 and name HG11)(resid 25 and name HN) 4.0 2.2 1.0
assign (resid 42 and name HB#)(resid 51 and name HN) 4.0 2.2 1.5
assign (resid 51 and name HN)(resid 62 and name HB2) 4.0 2.2 2.0

assign (resid 1 and name HB2)(resid 1 and name HB2) 3.0 1.2 0.3
assign (resid 3 and name HB1)(resid 3 and name HA) 3.0 1.2 0.3
assign (resid 4 and name HA)(resid 4 and name HG#) 4.0 2.2 1.0
assign (resid 5 and name HG#)(resid 5 and name HB2) 3.0 1.2 0.3
assign (resid 5 and name HB2)(resid 5 and name HA) 3.0 1.2 0.3
assign (resid 7 and name HG#)(resid 7 and name HA) 3.0 1.2 0.3
assign (resid 7 and name HD#)(resid 7 and name HG#) 3.0 1.2 0.3
assign (resid 7 and name HB1)(resid 7 and name HG#) 2.5 0.7 0.2
assign (resid 7 and name HG#)(resid 7 and name HB2) 3.0 1.2 0.3
assign (resid 7 and name HD#)(resid 7 and name HB2) 4.0 2.2 1.0
assign (resid 8 and name HA)(resid 8 and name HB2) 4.0 2.2 1.0
assign (resid 8 and name HA)(resid 8 and name HB1) 4.0 2.2 1.0
assign (resid 8 and name HB1)(resid 8 and name HB2) 3.0 1.2 0.3
assign (resid 9 and name HE3)(resid 9 and name HZ3) 3.0 1.2 0.3
assign (resid 9 and name HZ3)(resid 9 and name HH2) 3.0 1.2 0.3
assign (resid 9 and name HE3)(resid 9 and name HB2) 4.0 2.2 1.0
assign (resid 9 and name HB1)(resid 9 and name HB2) 3.0 1.2 0.3
assign (resid 9 and name HH2)(resid 9 and name HZ2) 3.0 1.2 0.3
assign (resid 10 and name HD2)(resid 10 and name HB1) 4.0 2.2 1.0
assign (resid 10 and name HB1)(resid 10 and name HB2) 3.0 1.2 0.3
assign (resid 13 and name HA)(resid 13 and name HB1) 3.0 1.2 0.3
assign (resid 14 and name HB)(resid 14 and name HG1#) 3.0 1.2 0.8
assign (resid 14 and name HB)(resid 14 and name HG2#) 3.0 1.2 0.8
assign (resid 15 and name HG11)(resid 15 and name HD1#) 3.0 1.2 0.8
assign (resid 15 and name HG11)(resid 15 and name HB) 4.0 2.2 1.0
assign (resid 15 and name HD1#)(resid 15 and name HB) 3.0 1.2 0.8
assign (resid 15 and name HB)(resid 15 and name HG2#) 2.5 0.7 0.7
assign (resid 15 and name HA)(resid 15 and name HG2#) 3.0 1.2 0.8
assign (resid 15 and name HB)(resid 15 and name HA) 4.0 2.2 1.0
assign (resid 15 and name HD1#)(resid 15 and name HA) 4.0 2.2 1.5
assign (resid 15 and name HG2#)(resid 15 and name HG11) 3.0 1.2 0.8
assign (resid 15 and name HA)(resid 15 and name HG11) 4.0 2.2 1.0
assign (resid 18 and name HB2)(resid 18 and name HA) 4.0 2.2 1.0
assign (resid 18 and name HA)(resid 18 and name HB1) 4.0 2.2 1.0
assign (resid 18 and name HD1#)(resid 18 and name HB1) 3.0 1.2 0.8
assign (resid 18 and name HB1)(resid 18 and name HB2) 3.0 1.2 0.3
assign (resid 18 and name HB2)(resid 18 and name HD2#) 3.0 1.2 0.8
assign (resid 18 and name HA)(resid 18 and name HG) 4.0 2.2 1.0
assign (resid 18 and name HB2)(resid 18 and name HG) 4.0 2.2 1.0
assign (resid 18 and name HD2#)(resid 18 and name HG) 3.0 1.2 0.8
assign (resid 18 and name HB2)(resid 18 and name HD1#) 3.0 1.2 0.8
assign (resid 19 and name HA)(resid 19 and name HG1) 4.0 2.2 1.0
assign (resid 19 and name HB#)(resid 19 and name HG2) 3.0 1.2 0.3
assign (resid 19 and name HD#)(resid 19 and name HB#) 3.0 1.2 0.3
assign (resid 19 and name HE#)(resid 19 and name HB#) 4.0 2.2 1.0
assign (resid 20 and name HA)(resid 20 and name HG#) 3.0 1.2 0.3
assign (resid 21 and name HB1)(resid 21 and name HD1) 4.0 2.2 1.0
assign (resid 21 and name HA)(resid 21 and name HG#) 3.0 1.2 0.3
assign (resid 21 and name HB1)(resid 21 and name HG#) 3.0 1.2 0.3
assign (resid 21 and name HA)(resid 21 and name HB2) 3.0 1.2 0.3
assign (resid 21 and name HD2)(resid 21 and name HB2) 4.0 2.2 1.0
assign (resid 21 and name HD2)(resid 21 and name HB1) 4.0 2.2 1.0
assign (resid 21 and name HD1)(resid 21 and name HB1) 4.0 2.2 1.0
assign (resid 21 and name HA)(resid 21 and name HB1) 4.0 2.2 1.0
assign (resid 21 and name HB1)(resid 21 and name HB2) 3.0 1.2 0.3
assign (resid 22 and name HB1)(resid 22 and name HA) 3.0 1.2 0.3
assign (resid 22 and name HA)(resid 22 and name HG#) 3.0 1.2 0.3
assign (resid 22 and name HG#)(resid 22 and name HB1) 3.0 1.2 0.3
assign (resid 22 and name HG#)(resid 22 and name HB2) 3.0 1.2 0.3
assign (resid 22 and name HA)(resid 22 and name HD#) 4.0 2.2 1.0
assign (resid 23 and name HA)(resid 23 and name HD2#) 3.0 1.2 0.8
assign (resid 23 and name HD1#)(resid 23 and name HB1) 3.0 1.2 0.8
assign (resid 23 and name HD2#)(resid 23 and name HB1) 4.0 2.2 1.5
assign (resid 23 and name HD1#)(resid 23 and name HA) 4.0 2.2 1.5
assign (resid 23 and name HB1)(resid 23 and name HA) 3.0 1.2 0.3
assign (resid 25 and name HG)(resid 25 and name HA) 3.0 1.2 0.3
assign (resid 25 and name HD2#)(resid 25 and name HA) 3.0 1.2 0.8
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) 4.0 2.2 1.0
assign (resid 25 and name HB1)(resid 25 and name HB2) 3.0 1.2 0.3
assign (resid 25 and name HD1#)(resid 25 and name HB2) 3.0 1.2 0.8
assign (resid 25 and name HB1)(resid 25 and name HD2#) 3.0 1.2 0.8
assign (resid 25 and name HB2)(resid 25 and name HD2#) 3.0 1.2 0.8
assign (resid 26 and name HA)(resid 26 and name HB#) 2.5 0.7 0.2
assign (resid 28 and name HD1#)(resid 28 and name HB1) 3.0 1.2 0.8
assign (resid 28 and name HA)(resid 28 and name HB1) 3.0 1.2 0.3
assign (resid 28 and name HA)(resid 28 and name HB2) 3.0 1.2 0.3
assign (resid 28 and name HB1)(resid 28 and name HB2) 3.0 1.2 0.3
assign (resid 28 and name HA)(resid 28 and name HD2#) 3.0 1.2 0.8
assign (resid 28 and name HB1)(resid 28 and name HD2#) 3.0 1.2 0.8
assign (resid 28 and name HB2)(resid 28 and name HD1#) 3.0 1.2 0.8
assign (resid 31 and name HG1)(resid 31 and name HG2) 3.0 1.2 0.3
assign (resid 31 and name HG2)(resid 31 and name HA) 3.0 1.2 0.3
assign (resid 31 and name HG1)(resid 31 and name HA) 4.0 2.2 1.0
assign (resid 32 and name HB1)(resid 32 and name HB2) 3.0 1.2 0.3
assign (resid 32 and name HD1)(resid 32 and name HZ) 4.0 2.2 1.0
assign (resid 32 and name HD1)(resid 32 and name HE1) 3.0 1.2 0.3
assign (resid 32 and name HZ)(resid 32 and name HE1) 3.0 1.2 0.3
assign (resid 32 and name HA)(resid 32 and name HD1) 4.0 2.2 1.0
assign (resid 32 and name HB1)(resid 32 and name HD1) 4.0 2.2 1.0
assign (resid 32 and name HB2)(resid 32 and name HD1) 4.0 2.2 1.0
assign (resid 33 and name HA2)(resid 33 and name HA1) 3.0 1.2 0.3
assign (resid 34 and name HE1)(resid 34 and name HA) 4.0 2.2 2.0
assign (resid 34 and name HA)(resid 34 and name HB2) 4.0 2.2 1.0
assign (resid 34 and name HD1)(resid 34 and name HB2) 4.0 2.2 1.0
assign (resid 34 and name HA)(resid 34 and name HD1) 4.0 2.2 1.0
assign (resid 34 and name HE1)(resid 34 and name HD1) 2.5 0.7 0.2
assign (resid 35 and name HB#)(resid 35 and name HA) 3.0 1.2 0.8
assign (resid 36 and name HD1)(resid 36 and name HA) 4.0 2.2 1.0
assign (resid 37 and name HA)(resid 37 and name HG2#) 2.5 0.7 0.7
assign (resid 37 and name HG2#)(resid 37 and name HB) 2.5 0.7 0.7
assign (resid 37 and name HA)(resid 37 and name HB) 3.0 1.2 0.3
assign (resid 38 and name HG2#)(resid 38 and name HB) 3.0 1.2 0.8
assign (resid 39 and name HG)(resid 39 and name HA) 4.0 2.2 1.0
assign (resid 39 and name HD1#)(resid 39 and name HB1) 3.0 1.2 0.8
assign (resid 39 and name HA)(resid 39 and name HB1) 4.0 2.2 1.0
assign (resid 39 and name HA)(resid 39 and name HD1#) 3.0 1.2 0.8
assign (resid 40 and name HA)(resid 40 and name HB#) 2.5 0.7 0.7
assign (resid 43 and name HD1#)(resid 43 and name HB1) 3.0 1.2 0.8
assign (resid 43 and name HG)(resid 43 and name HB2) 3.0 1.2 0.3
assign (resid 43 and name HD1#)(resid 43 and name HB2) 3.0 1.2 0.8
assign (resid 43 and name HB1)(resid 43 and name HB2) 3.0 1.2 0.3
assign (resid 43 and name HB2)(resid 43 and name HD2#) 3.0 1.2 0.8
assign (resid 43 and name HB1)(resid 43 and name HD2#) 3.0 1.2 0.8
assign (resid 43 and name HB1)(resid 43 and name HG) 3.0 1.2 0.3
assign (resid 43 and name HD2#)(resid 43 and name HG) 3.0 1.2 0.8
assign (resid 43 and name HD1#)(resid 43 and name HG) 3.0 1.2 0.8
assign (resid 44 and name HG#)(resid 44 and name HA) 3.0 1.2 0.3
assign (resid 44 and name HG#)(resid 44 and name HB2) 3.0 1.2 0.3
assign (resid 45 and name HA)(resid 45 and name HB1) 3.0 1.2 0.3
assign (resid 45 and name HB2)(resid 45 and name HB1) 2.5 0.7 0.2
assign (resid 45 and name HD#)(resid 45 and name HB1) 4.0 2.2 1.0
assign (resid 45 and name HD#)(resid 45 and name HA) 4.0 2.2 1.0
assign (resid 45 and name HB2)(resid 45 and name HA) 3.0 1.2 0.3
assign (resid 45 and name HB1)(resid 45 and name HG1) 3.0 1.2 0.3
assign (resid 45 and name HD#)(resid 45 and name HG1) 3.0 1.2 0.3
assign (resid 45 and name HD#)(resid 45 and name HG2) 3.0 1.2 0.3
assign (resid 45 and name HB1)(resid 45 and name HG2) 3.0 1.2 0.3
assign (resid 45 and name HA)(resid 45 and name HG2) 4.0 2.2 1.0
assign (resid 46 and name HA)(resid 46 and name HB1) 4.0 2.2 1.0
assign (resid 46 and name HB1)(resid 46 and name HB2) 3.0 1.2 0.3
assign (resid 46 and name HA)(resid 46 and name HB2) 4.0 2.2 1.0
assign (resid 46 and name HD2)(resid 46 and name HB1) 4.0 2.2 1.0
assign (resid 47 and name HE3)(resid 47 and name HZ3) 3.0 1.2 0.3
assign (resid 47 and name HZ3)(resid 47 and name HH2) 4.0 2.2 1.0
assign (resid 47 and name HE3)(resid 47 and name HH2) 4.0 2.2 1.0
assign (resid 47 and name HA)(resid 47 and name HB2) 4.0 2.2 1.0
assign (resid 47 and name HD1)(resid 47 and name HA) 3.0 1.2 0.3
assign (resid 47 and name HH2)(resid 47 and name HZ2) 3.0 1.2 0.3
assign (resid 48 and name HA)(resid 48 and name HG2) 4.0 2.2 1.0
assign (resid 48 and name HD1)(resid 48 and name HG2) 4.0 2.2 1.0
assign (resid 48 and name HG1)(resid 48 and name HD1) 4.0 2.2 1.0
assign (resid 48 and name HG1)(resid 48 and name HD2) 4.0 2.2 1.0
assign (resid 48 and name HD1)(resid 48 and name HD2) 3.0 1.2 0.3
assign (resid 48 and name HA)(resid 48 and name HB2) 3.0 1.2 0.3
assign (resid 48 and name HG2)(resid 48 and name HB2) 3.0 1.2 0.3
assign (resid 49 and name HD#)(resid 49 and name HA) 3.0 1.2 0.3
assign (resid 49 and name HG1)(resid 49 and name HA) 3.0 1.2 0.3
assign (resid 49 and name HE1)(resid 49 and name HG1) 4.0 2.2 1.0
assign (resid 49 and name HB2)(resid 49 and name HG1) 3.0 1.2 0.3
assign (resid 49 and name HE1)(resid 49 and name HG2) 4.0 2.2 1.0
assign (resid 49 and name HB2)(resid 49 and name HG2) 3.0 1.2 0.3
assign (resid 49 and name HA)(resid 49 and name HG2) 4.0 2.2 1.0
assign (resid 49 and name HB1)(resid 49 and name HG2) 3.0 1.2 0.3
assign (resid 49 and name HG1)(resid 49 and name HB1) 3.0 1.2 0.3
assign (resid 49 and name HA)(resid 49 and name HB1) 4.0 2.2 1.0
assign (resid 49 and name HA)(resid 49 and name HB2) 3.0 1.2 0.3
assign (resid 49 and name HB1)(resid 49 and name HB2) 3.0 1.2 0.3
assign (resid 50 and name HA1)(resid 50 and name HA2) 3.0 1.2 0.3
assign (resid 51 and name HB2)(resid 51 and name HA) 4.0 2.2 1.0
assign (resid 51 and name HA)(resid 51 and name HB1) 4.0 2.2 1.0
assign (resid 52 and name HA)(resid 52 and name HG1) 4.0 2.2 1.0
assign (resid 53 and name HD1#)(resid 53 and name HB) 3.0 1.2 0.8
assign (resid 53 and name HB)(resid 53 and name HG2#) 3.0 1.2 0.8
assign (resid 53 and name HD1#)(resid 53 and name HG2#) 3.0 1.2 0.8
assign (resid 53 and name HB)(resid 53 and name HA) 4.0 2.2 1.0
assign (resid 53 and name HD1#)(resid 53 and name HA) 3.0 1.2 0.8
assign (resid 53 and name HG2#)(resid 53 and name HA) 3.0 1.2 0.8
assign (resid 53 and name HB)(resid 53 and name HG11) 4.0 2.2 1.0
assign (resid 53 and name HA)(resid 53 and name HG11) 4.0 2.2 1.0
assign (resid 53 and name HD1#)(resid 53 and name HG11) 3.0 1.2 0.8
assign (resid 53 and name HG2#)(resid 53 and name HG11) 4.0 2.2 1.5
assign (resid 53 and name HB)(resid 53 and name HG12) 4.0 2.2 1.0
assign (resid 53 and name HG2#)(resid 53 and name HG12) 4.0 2.2 1.5
assign (resid 53 and name HG11)(resid 53 and name HG12) 3.0 1.2 0.3
assign (resid 53 and name HD1#)(resid 53 and name HG12) 3.0 1.2 0.8
assign (resid 54 and name HG2#)(resid 54 and name HD1#) 3.0 1.2 0.8
assign (resid 54 and name HG2#)(resid 54 and name HB) 3.0 1.2 0.8
assign (resid 54 and name HD1#)(resid 54 and name HB) 3.0 1.2 0.8
assign (resid 54 and name HB)(resid 54 and name HA) 4.0 2.2 1.0
assign (resid 54 and name HG2#)(resid 54 and name HA) 3.0 1.2 0.8
assign (resid 54 and name HD1#)(resid 54 and name HA) 4.0 2.2 1.5
assign (resid 54 and name HD1#)(resid 54 and name HG11) 3.0 1.2 0.8
assign (resid 54 and name HG2#)(resid 54 and name HG11) 4.0 2.2 1.5
assign (resid 54 and name HG2#)(resid 54 and name HG12) 4.0 2.2 1.5
assign (resid 54 and name HB)(resid 54 and name HG12) 4.0 2.2 1.0
assign (resid 54 and name HA)(resid 54 and name HG12) 4.0 2.2 1.0
assign (resid 54 and name HB)(resid 54 and name HG11) 4.0 2.2 1.0
assign (resid 54 and name HA)(resid 54 and name HG11) 4.0 2.2 1.0
assign (resid 54 and name HG11)(resid 54 and name HG12) 3.0 1.2 0.3
assign (resid 54 and name HD1#)(resid 54 and name HG12) 3.0 1.2 0.8
assign (resid 55 and name HA)(resid 55 and name HB#) 3.0 1.2 0.8
assign (resid 56 and name HA)(resid 56 and name HB1) 3.0 1.2 0.3
assign (resid 56 and name HA)(resid 56 and name HB2) 3.0 1.2 0.3
assign (resid 58 and name HA)(resid 58 and name HB1) 3.0 1.2 0.3
assign (resid 58 and name HA)(resid 58 and name HB2) 4.0 2.2 1.0
assign (resid 58 and name HA)(resid 58 and name HD1#) 4.0 2.2 1.5
assign (resid 58 and name HA)(resid 58 and name HG) 4.0 2.2 1.0
assign (resid 58 and name HD1#)(resid 58 and name HG) 4.0 2.2 1.5
assign (resid 59 and name HA)(resid 59 and name HG1) 3.0 1.2 0.3
assign (resid 59 and name HB#)(resid 59 and name HG1) 2.5 0.7 0.2
assign (resid 59 and name HB#)(resid 59 and name HG2) 2.5 0.7 0.2
assign (resid 59 and name HA)(resid 59 and name HG2) 3.0 1.2 0.3
assign (resid 59 and name HA)(resid 59 and name HB#) 3.0 1.2 0.3
assign (resid 60 and name HG2#)(resid 60 and name HA) 3.0 1.2 0.8
assign (resid 60 and name HA)(resid 60 and name HB) 3.0 1.2 0.3
assign (resid 60 and name HG2#)(resid 60 and name HB) 3.0 1.2 0.8
assign (resid 61 and name HB1)(resid 61 and name HB2) 3.0 1.2 0.3
assign (resid 61 and name HG2)(resid 61 and name HE#) 4.0 2.2 1.0
assign (resid 61 and name HA)(resid 61 and name HG1) 4.0 2.2 1.0
assign (resid 61 and name HB1)(resid 61 and name HG1) 3.0 1.2 0.3
assign (resid 61 and name HB2)(resid 61 and name HD#) 3.0 1.2 0.3
assign (resid 61 and name HB1)(resid 61 and name HD#) 4.0 2.2 1.0
assign (resid 61 and name HE#)(resid 61 and name HD#) 3.0 1.2 0.3
assign (resid 61 and name HG2)(resid 61 and name HD#) 2.5 0.7 0.2
assign (resid 61 and name HD#)(resid 61 and name HA) 4.0 2.2 1.0
assign (resid 61 and name HB1)(resid 61 and name HA) 3.0 1.2 0.3
assign (resid 62 and name HD2)(resid 62 and name HG1) 3.0 1.2 0.3
assign (resid 62 and name HD2)(resid 62 and name HG2) 3.0 1.2 0.3
assign (resid 62 and name HB1)(resid 62 and name HD1) 4.0 2.2 1.0
assign (resid 62 and name HG2)(resid 62 and name HD1) 3.0 1.2 0.3
assign (resid 62 and name HG2)(resid 62 and name HB1) 3.0 1.2 0.3
assign (resid 62 and name HA)(resid 62 and name HB1) 4.0 2.2 1.0
assign (resid 63 and name HA)(resid 63 and name HG2) 4.0 2.2 1.0
assign (resid 63 and name HG1)(resid 63 and name HA) 4.0 2.2 1.0
assign (resid 64 and name HG2#)(resid 64 and name HA) 3.0 1.2 0.8
assign (resid 64 and name HG1#)(resid 64 and name HA) 3.0 1.2 0.8
assign (resid 64 and name HG2#)(resid 64 and name HB) 3.0 1.2 0.8
assign (resid 64 and name HG1#)(resid 64 and name HB) 3.0 1.2 0.8
assign (resid 64 and name HA)(resid 64 and name HB) 4.0 2.2 1.0
assign (resid 65 and name HD1#)(resid 65 and name HG2#) 3.0 1.2 0.8
assign (resid 65 and name HD1#)(resid 65 and name HB) 3.0 1.2 0.8
assign (resid 65 and name HG11)(resid 65 and name HB) 4.0 2.2 1.0
assign (resid 65 and name HG2#)(resid 65 and name HB) 3.0 1.2 0.8
assign (resid 65 and name HD1#)(resid 65 and name HA) 4.0 2.2 1.5
assign (resid 65 and name HG2#)(resid 65 and name HA) 3.0 1.2 0.8
assign (resid 65 and name HG11)(resid 65 and name HA) 4.0 2.2 1.0
assign (resid 65 and name HB)(resid 65 and name HA) 4.0 2.2 1.0
assign (resid 65 and name HG2#)(resid 65 and name HG11) 4.0 2.2 1.5
assign (resid 65 and name HD1#)(resid 65 and name HG11) 3.0 1.2 0.8
assign (resid 65 and name HG12)(resid 65 and name HG11) 3.0 1.2 0.3
assign (resid 65 and name HD1#)(resid 65 and name HG12) 3.0 1.2 0.8
assign (resid 65 and name HB)(resid 65 and name HG12) 4.0 2.2 1.0
assign (resid 65 and name HG2#)(resid 65 and name HG12) 4.0 2.2 1.5
assign (resid 65 and name HA)(resid 65 and name HG12) 4.0 2.2 1.0
assign (resid 66 and name HB2)(resid 66 and name HA) 4.0 2.2 1.0
assign (resid 66 and name HZ3)(resid 66 and name HE3) 4.0 2.2 1.0
assign (resid 66 and name HA)(resid 66 and name HD1) 4.0 2.2 1.0
assign (resid 66 and name HH2)(resid 66 and name HZ2) 3.0 1.2 0.3
assign (resid 67 and name HB2)(resid 67 and name HG1) 3.0 1.2 0.3
assign (resid 67 and name HB1)(resid 67 and name HD1) 4.0 2.2 1.0
assign (resid 67 and name HD1)(resid 67 and name HD2) 3.0 1.2 0.3
assign (resid 67 and name HB2)(resid 67 and name HB1) 3.0 1.2 0.3
assign (resid 67 and name HD1)(resid 67 and name HB2) 4.0 2.2 1.0
assign (resid 68 and name HB2)(resid 68 and name HB1) 3.0 1.2 0.3
assign (resid 69 and name HB2)(resid 69 and name HG1) 3.0 1.2 0.3
assign (resid 69 and name HA)(resid 69 and name HG1) 4.0 2.2 1.0
assign (resid 69 and name HG1)(resid 69 and name HB1) 4.0 2.2 1.0
assign (resid 69 and name HA)(resid 69 and name HB1) 4.0 2.2 1.0
assign (resid 69 and name HB1)(resid 69 and name HB2) 4.0 2.2 1.0
assign (resid 69 and name HA)(resid 69 and name HB2) 4.0 2.2 1.0
assign (resid 70 and name HB2)(resid 70 and name HA) 3.0 1.2 0.3
assign (resid 70 and name HA)(resid 70 and name HB1) 4.0 2.2 1.0
assign (resid 70 and name HB1)(resid 70 and name HB2) 3.0 1.2 0.3
assign (resid 70 and name HA)(resid 70 and name HD1) 4.0 2.2 1.0
assign (resid 70 and name HE1)(resid 70 and name HD1) 3.0 1.2 0.3
assign (resid 70 and name HB1)(resid 70 and name HD1) 3.0 1.2 0.3
assign (resid 70 and name HB2)(resid 70 and name HD1) 3.0 1.2 0.3
assign (resid 71 and name HA)(resid 71 and name HG#) 3.0 1.2 0.3
assign (resid 71 and name HA)(resid 71 and name HB1) 4.0 2.2 1.0
assign (resid 74 and name HG#)(resid 74 and name HB2) 2.5 0.7 0.2
assign (resid 4 and name HG#)(resid 4 and name HA) 4.0 2.2 1.0
assign (resid 4 and name HG#)(resid 4 and name HB1) 2.5 0.7 0.2
assign (resid 4 and name HA)(resid 4 and name HB1) 4.0 2.2 1.0
assign (resid 4 and name HG#)(resid 4 and name HB2) 2.5 0.7 0.2
assign (resid 5 and name HA)(resid 5 and name HB1) 4.0 2.2 1.0
assign (resid 5 and name HA)(resid 5 and name HB2) 4.0 2.2 1.0
assign (resid 5 and name HD#)(resid 5 and name HA) 4.0 2.2 1.0
assign (resid 5 and name HB1)(resid 5 and name HG#) 3.0 1.2 0.3
assign (resid 5 and name HA)(resid 5 and name HG#) 4.0 2.2 1.0
assign (resid 5 and name HE#)(resid 5 and name HG#) 4.0 2.2 1.0
assign (resid 6 and name HB#)(resid 6 and name HA) 2.5 0.7 0.7
assign (resid 7 and name HD#)(resid 7 and name HG#) 3.0 1.2 0.3
assign (resid 7 and name HG#)(resid 7 and name HB1) 3.0 1.2 0.3
assign (resid 7 and name HD#)(resid 7 and name HB1) 4.0 2.2 1.0
assign (resid 7 and name HG#)(resid 7 and name HB2) 3.0 1.2 0.3
assign (resid 7 and name HA)(resid 7 and name HB1) 4.0 2.2 1.0
assign (resid 8 and name HA)(resid 8 and name HB2) 4.0 2.2 1.0
assign (resid 8 and name HB1)(resid 8 and name HB2) 3.0 1.2 0.3
assign (resid 9 and name HB2)(resid 9 and name HA) 4.0 2.2 1.0
assign (resid 9 and name HE3)(resid 9 and name HH2) 4.0 2.2 1.0
assign (resid 9 and name HA)(resid 9 and name HD1) 3.0 1.2 0.3
assign (resid 9 and name HA)(resid 9 and name HB1) 3.0 1.2 0.3
assign (resid 10 and name HD2)(resid 10 and name HE1) 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 HB2) 4.0 2.2 1.0
assign (resid 11 and name HD#)(resid 11 and name HA) 4.0 2.2 1.0
assign (resid 11 and name HG1)(resid 11 and name HD#) 3.0 1.2 0.3
assign (resid 11 and name HB1)(resid 11 and name HG2) 3.0 1.2 0.3
assign (resid 11 and name HA)(resid 11 and name HG2) 4.0 2.2 1.0
assign (resid 11 and name HD#)(resid 11 and name HB2) 3.0 1.2 0.3
assign (resid 13 and name HA)(resid 13 and name HB2) 4.0 2.2 1.0
assign (resid 13 and name HB1)(resid 13 and name HB2) 3.0 1.2 0.3
assign (resid 14 and name HA)(resid 14 and name HG2#) 3.0 1.2 0.8
assign (resid 14 and name HB)(resid 14 and name HA) 4.0 2.2 1.0
assign (resid 14 and name HG1#)(resid 14 and name HB) 3.0 1.2 0.8
assign (resid 15 and name HG12)(resid 15 and name HA) 4.0 2.2 1.0
assign (resid 15 and name HG12)(resid 15 and name HG11) 2.5 0.7 0.2
assign (resid 15 and name HB)(resid 15 and name HG12) 3.0 1.2 0.3
assign (resid 15 and name HD1#)(resid 15 and name HG12) 3.0 1.2 0.8
assign (resid 18 and name HG)(resid 18 and name HD2#) 3.0 1.2 0.8
assign (resid 18 and name HB1)(resid 18 and name HD1#) 3.0 1.2 0.8
assign (resid 18 and name HG)(resid 18 and name HD1#) 3.0 1.2 0.8
assign (resid 18 and name HD2#)(resid 18 and name HD1#) 2.5 0.7 0.7
assign (resid 19 and name HB#)(resid 19 and name HG1) 3.0 1.2 0.3
assign (resid 19 and name HG2)(resid 19 and name HD#) 2.5 0.7 0.2
assign (resid 20 and name HA)(resid 20 and name HD#) 4.0 2.2 1.0
assign (resid 21 and name HD2)(resid 21 and name HD1) 2.5 0.7 0.2
assign (resid 21 and name HA)(resid 21 and name HD1) 4.0 2.2 1.0
assign (resid 21 and name HB2)(resid 21 and name HD1) 4.0 2.2 1.0
assign (resid 21 and name HB2)(resid 21 and name HD2) 4.0 2.2 1.0
assign (resid 21 and name HG#)(resid 21 and name HD2) 3.0 1.2 0.3
assign (resid 21 and name HD1)(resid 21 and name HG#) 3.0 1.2 0.3
assign (resid 21 and name HD1)(resid 21 and name HB2) 4.0 2.2 1.0
assign (resid 22 and name HD#)(resid 22 and name HB2) 4.0 2.2 1.0
assign (resid 22 and name HA)(resid 22 and name HB1) 3.0 1.2 0.3
assign (resid 23 and name HA)(resid 23 and name HD1#) 4.0 2.2 1.5
assign (resid 23 and name HD2#)(resid 23 and name HD1#) 2.5 0.7 0.7
assign (resid 23 and name HD2#)(resid 23 and name HA) 3.0 1.2 0.8
assign (resid 24 and name HA)(resid 24 and name HB1) 3.0 1.2 0.3
assign (resid 24 and name HA)(resid 24 and name HB2) 3.0 1.2 0.3
assign (resid 24 and name HB1)(resid 24 and name HB2) 2.5 0.7 0.2
assign (resid 25 and name HD2#)(resid 25 and name HB1) 3.0 1.2 0.8
assign (resid 25 and name HD1#)(resid 25 and name HD2#) 2.5 0.7 0.7
assign (resid 25 and name HB2)(resid 25 and name HD1#) 3.0 1.2 0.8
assign (resid 25 and name HB1)(resid 25 and name HD1#) 3.0 1.2 0.8
assign (resid 25 and name HB2)(resid 25 and name HG) 3.0 1.2 0.3
assign (resid 25 and name HD2#)(resid 25 and name HG) 3.0 1.2 0.8
assign (resid 26 and name HA)(resid 26 and name HB#) 2.5 0.7 0.2
assign (resid 28 and name HD2#)(resid 28 and name HA) 3.0 1.2 0.8
assign (resid 28 and name HB2)(resid 28 and name HD1#) 3.0 1.2 0.3
assign (resid 28 and name HB2)(resid 28 and name HG) 3.0 1.2 0.3
assign (resid 28 and name HB1)(resid 28 and name HG) 3.0 1.2 0.3
assign (resid 28 and name HA)(resid 28 and name HG) 4.0 2.2 1.0
assign (resid 30 and name HA)(resid 30 and name HD#) 4.0 2.2 1.0
assign (resid 30 and name HA)(resid 30 and name HG1) 4.0 2.2 1.0
assign (resid 30 and name HD#)(resid 30 and name HG1) 3.0 1.2 0.3
assign (resid 30 and name HD#)(resid 30 and name HG2) 3.0 1.2 0.3
assign (resid 30 and name HA)(resid 30 and name HG2) 4.0 2.2 1.0
assign (resid 30 and name HA)(resid 30 and name HB#) 3.0 1.2 0.3
assign (resid 30 and name HG2)(resid 30 and name HB#) 2.5 0.7 0.2
assign (resid 30 and name HG1)(resid 30 and name HB#) 2.5 0.7 0.2
assign (resid 31 and name HB1)(resid 31 and name HG1) 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 HB1) 4.0 2.2 1.0
assign (resid 31 and name HG2)(resid 31 and name HB2) 3.0 1.2 0.3
assign (resid 31 and name HG1)(resid 31 and name HB2) 3.0 1.2 0.3
assign (resid 32 and name HA)(resid 32 and name HB2) 4.0 2.2 1.0
assign (resid 32 and name HA)(resid 32 and name HB1) 3.0 1.2 0.3
assign (resid 32 and name HE1)(resid 32 and name HD1) 4.0 2.2 1.0
assign (resid 34 and name HA)(resid 34 and name HB1) 3.0 1.2 0.3
assign (resid 34 and name HB1)(resid 34 and name HB2) 3.0 1.2 0.3
assign (resid 34 and name HB2)(resid 34 and name HD1) 4.0 2.2 1.0
assign (resid 34 and name HB1)(resid 34 and name HD1) 4.0 2.2 1.0
assign (resid 36 and name HB1)(resid 36 and name HA) 3.0 1.2 0.3
assign (resid 36 and name HA)(resid 36 and name HG1) 4.0 2.2 1.0
assign (resid 36 and name HA)(resid 36 and name HG2) 4.0 2.2 1.0
assign (resid 36 and name HG1)(resid 36 and name HB1) 3.0 1.2 0.3
assign (resid 36 and name HA)(resid 36 and name HB2) 3.0 1.2 0.3
assign (resid 38 and name HG2#)(resid 38 and name HA) 2.5 0.7 0.7
assign (resid 39 and name HD1#)(resid 39 and name HA) 3.0 1.2 0.8
assign (resid 39 and name HA)(resid 39 and name HB2) 3.0 1.2 0.3
assign (resid 39 and name HD1#)(resid 39 and name HG) 3.0 1.2 0.8
assign (resid 41 and name HA)(resid 41 and name HB1) 3.0 1.2 0.3
assign (resid 41 and name HB1)(resid 41 and name HB2) 3.0 1.2 0.3
assign (resid 42 and name HB#)(resid 42 and name HA) 3.0 1.2 0.8
assign (resid 43 and name HA)(resid 43 and name HD2#) 3.0 1.2 0.8
assign (resid 43 and name HA)(resid 43 and name HD1#) 4.0 2.2 1.5
assign (resid 43 and name HG)(resid 43 and name HD1#) 3.0 1.2 0.8
assign (resid 43 and name HB2)(resid 43 and name HG) 3.0 1.2 0.3
assign (resid 43 and name HA)(resid 43 and name HG) 4.0 2.2 1.0
assign (resid 44 and name HB2)(resid 44 and name HG#) 3.0 1.2 0.3
assign (resid 44 and name HG#)(resid 44 and name HB1) 3.0 1.2 0.3
assign (resid 45 and name HA)(resid 45 and name HB2) 3.0 1.2 0.3
assign (resid 45 and name HG2)(resid 45 and name HB2) 3.0 1.2 0.3
assign (resid 45 and name HD#)(resid 45 and name HB2) 4.0 2.2 1.0
assign (resid 45 and name HG2)(resid 45 and name HA) 4.0 2.2 1.0
assign (resid 47 and name HB2)(resid 47 and name HE3) 4.0 2.2 1.0
assign (resid 47 and name HZ3)(resid 47 and name HE3) 3.0 1.2 0.3
assign (resid 47 and name HH2)(resid 47 and name HZ3) 4.0 2.2 1.0
assign (resid 47 and name HZ2)(resid 47 and name HH2) 3.0 1.2 0.3
assign (resid 47 and name HE3)(resid 47 and name HB1) 4.0 2.2 1.0
assign (resid 47 and name HB1)(resid 47 and name HA) 3.0 1.2 0.3
assign (resid 48 and name HB1)(resid 48 and name HG2) 3.0 1.2 0.3
assign (resid 48 and name HG1)(resid 48 and name HG2) 3.0 1.2 0.3
assign (resid 48 and name HA)(resid 48 and name HG1) 4.0 2.2 1.0
assign (resid 48 and name HB1)(resid 48 and name HD2) 4.0 2.2 1.0
assign (resid 48 and name HA)(resid 48 and name HB1) 4.0 2.2 1.0
assign (resid 48 and name HB1)(resid 48 and name HB2) 3.0 1.2 0.3
assign (resid 48 and name HG1)(resid 48 and name HB2) 4.0 2.2 1.0
assign (resid 49 and name HD#)(resid 49 and name HG1) 3.0 1.2 0.3
assign (resid 51 and name HA)(resid 51 and name HB2) 4.0 2.2 1.0
assign (resid 52 and name HB2)(resid 52 and name HG2) 3.0 1.2 0.3
assign (resid 52 and name HG1)(resid 52 and name HB1) 3.0 1.2 0.3
assign (resid 52 and name HG1)(resid 52 and name HB2) 3.0 1.2 0.3
assign (resid 53 and name HG2#)(resid 53 and name HB) 3.0 1.2 0.8
assign (resid 53 and name HA)(resid 53 and name HB) 4.0 2.2 1.0
assign (resid 53 and name HB)(resid 53 and name HG12) 4.0 2.2 1.0
assign (resid 53 and name HA)(resid 53 and name HG12) 4.0 2.2 1.0
assign (resid 53 and name HD1#)(resid 53 and name HG12) 3.0 1.2 0.8
assign (resid 53 and name HG2#)(resid 53 and name HG12) 4.0 2.2 1.5
assign (resid 57 and name HA)(resid 57 and name HB#) 2.5 0.7 0.7
assign (resid 58 and name HD2#)(resid 58 and name HB1) 3.0 1.2 0.8
assign (resid 58 and name HB2)(resid 58 and name HD2#) 3.0 1.2 0.8
assign (resid 58 and name HA)(resid 58 and name HD2#) 3.0 1.2 0.8
assign (resid 58 and name HD1#)(resid 58 and name HD2#) 3.0 1.2 0.8
assign (resid 58 and name HA)(resid 58 and name HD1#) 4.0 2.2 1.5
assign (resid 58 and name HD2#)(resid 58 and name HG) 3.0 1.2 0.8
assign (resid 61 and name HD#)(resid 61 and name HB2) 3.0 1.2 0.3
assign (resid 61 and name HB1)(resid 61 and name HA) 4.0 2.2 1.0
assign (resid 62 and name HG2)(resid 62 and name HA) 4.0 2.2 1.0
assign (resid 62 and name HG1)(resid 62 and name HA) 4.0 2.2 1.0
assign (resid 62 and name HB1)(resid 62 and name HG1) 3.0 1.2 0.3
assign (resid 62 and name HD2)(resid 62 and name HG1) 3.0 1.2 0.3
assign (resid 62 and name HG2)(resid 62 and name HD2) 3.0 1.2 0.3
assign (resid 62 and name HG1)(resid 62 and name HD1) 4.0 2.2 1.0
assign (resid 62 and name HB1)(resid 62 and name HD2) 4.0 2.2 1.0
assign (resid 62 and name HA)(resid 62 and name HB2) 3.0 1.2 0.3
assign (resid 62 and name HB1)(resid 62 and name HB2) 3.0 1.2 0.3
assign (resid 63 and name HB2)(resid 63 and name HG2) 3.0 1.2 0.3
assign (resid 63 and name HB1)(resid 63 and name HG2) 3.0 1.2 0.3
assign (resid 63 and name HB2)(resid 63 and name HA) 3.0 1.2 0.3
assign (resid 63 and name HG1)(resid 63 and name HB1) 3.0 1.2 0.3
assign (resid 63 and name HG1)(resid 63 and name HB2) 3.0 1.2 0.3
assign (resid 63 and name HA)(resid 63 and name HB1) 3.0 1.2 0.3
assign (resid 64 and name HA)(resid 64 and name HG2#) 3.0 1.2 0.8
assign (resid 64 and name HB)(resid 64 and name HG2#) 3.0 1.2 0.8
assign (resid 66 and name HB1)(resid 66 and name HA) 4.0 2.2 1.0
assign (resid 66 and name HZ3)(resid 66 and name HE3) 4.0 2.2 1.0
assign (resid 66 and name HZ2)(resid 66 and name HH2) 3.0 1.2 0.3
assign (resid 66 and name HB1)(resid 66 and name HD1) 4.0 2.2 1.0
assign (resid 67 and name HD2)(resid 67 and name HG1) 3.0 1.2 0.3
assign (resid 67 and name HD1)(resid 67 and name HG1) 3.0 1.2 0.3
assign (resid 67 and name HA)(resid 67 and name HG1) 4.0 2.2 1.0
assign (resid 67 and name HA)(resid 67 and name HB1) 3.0 1.2 0.3
assign (resid 67 and name HA)(resid 67 and name HB2) 3.0 1.2 0.3
assign (resid 67 and name HB1)(resid 67 and name HB2) 3.0 1.2 0.3
assign (resid 70 and name HA)(resid 70 and name HB2) 4.0 2.2 1.0
assign (resid 70 and name HB1)(resid 70 and name HB2) 3.0 1.2 0.3
assign (resid 71 and name HG#)(resid 71 and name HA) 4.0 2.2 1.0
assign (resid 71 and name HG#)(resid 71 and name HB1) 3.0 1.2 0.3
assign (resid 71 and name HG#)(resid 71 and name HB2) 2.5 0.7 0.2
assign (resid 71 and name HA)(resid 71 and name HB2) 4.0 2.2 1.0
assign (resid 74 and name HA)(resid 74 and name HB1) 4.0 2.2 1.0
assign (resid 74 and name HG#)(resid 74 and name HB1) 3.0 1.2 0.3
assign (resid 6 and name HA)(resid 6 and name HN) 4.0 2.2 1.0
assign (resid 6 and name HB#)(resid 6 and name HN) 2.5 0.7 0.9
assign (resid 7 and name HA)(resid 7 and name HN) 4.0 2.2 1.0
assign (resid 7 and name HG#)(resid 7 and name HN) 4.0 2.2 1.0
assign (resid 8 and name HA)(resid 8 and name HN) 4.0 2.2 1.0
assign (resid 8 and name HB2)(resid 8 and name HN) 3.0 1.2 0.5
assign (resid 8 and name HB1)(resid 8 and name HN) 4.0 2.2 1.0
assign (resid 9 and name HA)(resid 9 and name HN) 4.0 2.2 1.0
assign (resid 9 and name HD1)(resid 9 and name HN) 3.0 1.2 0.5
assign (resid 9 and name HZ2)(resid 9 and name HE1) 3.0 1.2 0.5
assign (resid 9 and name HD1)(resid 9 and name HE1) 2.5 0.7 0.4
assign (resid 13 and name HA)(resid 13 and name HN) 4.0 2.2 1.0
assign (resid 13 and name HB2)(resid 13 and name HN) 3.0 1.2 0.5
assign (resid 14 and name HB)(resid 14 and name HN) 2.5 0.7 0.4
assign (resid 14 and name HG2#)(resid 14 and name HN) 2.5 0.7 0.9
assign (resid 14 and name HA)(resid 14 and name HN) 3.0 1.2 0.5
assign (resid 15 and name HG2#)(resid 15 and name HN) 4.0 2.2 1.5
assign (resid 15 and name HG12)(resid 15 and name HN) 3.0 1.2 0.5
assign (resid 15 and name HA)(resid 15 and name HN) 4.0 2.2 1.0
assign (resid 15 and name HB)(resid 15 and name HN) 3.0 1.2 0.5
assign (resid 16 and name HB#)(resid 16 and name HN) 2.5 0.7 0.9
assign (resid 17 and name HA1)(resid 17 and name HN) 2.5 0.7 0.4
assign (resid 18 and name HA)(resid 18 and name HN) 4.0 2.2 1.0
assign (resid 18 and name HB1)(resid 18 and name HN) 4.0 2.2 1.0
assign (resid 18 and name HD1#)(resid 18 and name HN) 4.0 2.2 1.5
assign (resid 18 and name HB2)(resid 18 and name HN) 4.0 2.2 1.0
assign (resid 19 and name HG2)(resid 19 and name HN) 4.0 2.2 1.0
assign (resid 19 and name HA)(resid 19 and name HN) 3.0 1.2 0.5
assign (resid 19 and name HB#)(resid 19 and name HN) 2.5 0.7 0.4
assign (resid 21 and name HG#)(resid 21 and name HN) 4.0 2.2 1.0
assign (resid 21 and name HB2)(resid 21 and name HN) 4.0 2.2 1.0
assign (resid 21 and name HB1)(resid 21 and name HN) 3.0 1.2 0.5
assign (resid 22 and name HG#)(resid 22 and name HN) 4.0 2.2 1.0
assign (resid 22 and name HA)(resid 22 and name HN) 2.5 0.7 0.4
assign (resid 23 and name HB1)(resid 23 and name HN) 4.0 2.2 1.0
assign (resid 23 and name HA)(resid 23 and name HN) 3.0 1.2 0.5
assign (resid 23 and name HB2)(resid 23 and name HN) 4.0 2.2 1.0
assign (resid 24 and name HA)(resid 24 and name HN) 4.0 2.2 1.0
assign (resid 24 and name HB2)(resid 24 and name HN) 4.0 2.2 1.0
assign (resid 27 and name HA)(resid 27 and name HN) 3.0 1.2 0.5
assign (resid 27 and name HB#)(resid 27 and name HN) 2.5 0.7 0.9
assign (resid 28 and name HD1#)(resid 28 and name HN) 4.0 2.2 1.5
assign (resid 28 and name HA)(resid 28 and name HN) 3.0 1.2 0.5
assign (resid 28 and name HB2)(resid 28 and name HN) 3.0 1.2 0.5
assign (resid 28 and name HB1)(resid 28 and name HN) 3.0 1.2 0.5
assign (resid 30 and name HB#)(resid 30 and name HN) 2.5 0.7 0.4
assign (resid 30 and name HA)(resid 30 and name HN) 3.0 1.2 0.5
assign (resid 31 and name HA)(resid 31 and name HN) 3.0 1.2 0.5
assign (resid 31 and name HG2)(resid 31 and name HN) 4.0 2.2 1.0
assign (resid 32 and name HD1)(resid 32 and name HN) 4.0 2.2 1.0
assign (resid 32 and name HA)(resid 32 and name HN) 4.0 2.2 1.0
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assign (resid 33 and name HA1)(resid 33 and name HN) 2.5 0.7 0.4
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assign (resid 34 and name HB2)(resid 34 and name HN) 3.0 1.2 0.5
assign (resid 34 and name HD1)(resid 34 and name HN) 4.0 2.2 1.0
assign (resid 34 and name HA)(resid 34 and name HN) 4.0 2.2 1.0
assign (resid 34 and name HB1)(resid 34 and name HN) 4.0 2.2 1.0
assign (resid 35 and name HB#)(resid 35 and name HN) 2.5 0.7 0.9
assign (resid 38 and name HB)(resid 38 and name HN) 3.0 1.2 0.5
assign (resid 38 and name HA)(resid 38 and name HN) 3.0 1.2 0.5
assign (resid 39 and name HA)(resid 39 and name HN) 4.0 2.2 1.0
assign (resid 39 and name HB1)(resid 39 and name HN) 3.0 1.2 0.5
assign (resid 39 and name HD1#)(resid 39 and name HN) 4.0 2.2 1.5
assign (resid 40 and name HA)(resid 40 and name HN) 3.0 1.2 0.5
assign (resid 41 and name HA)(resid 41 and name HN) 3.0 1.2 0.5
assign (resid 41 and name HB2)(resid 41 and name HN) 3.0 1.2 0.5
assign (resid 41 and name HB1)(resid 41 and name HN) 4.0 2.2 1.0
assign (resid 42 and name HA)(resid 42 and name HN) 4.0 2.2 1.0
assign (resid 43 and name HG)(resid 43 and name HN) 3.0 1.2 0.5
assign (resid 43 and name HA)(resid 43 and name HN) 3.0 1.2 0.5
assign (resid 43 and name HD2#)(resid 43 and name HN) 4.0 2.2 1.5
assign (resid 43 and name HD1#)(resid 43 and name HN) 4.0 2.2 1.5
assign (resid 43 and name HB1)(resid 43 and name HN) 4.0 2.2 1.0
assign (resid 43 and name HB2)(resid 43 and name HN) 3.0 1.2 0.5
assign (resid 44 and name HG#)(resid 44 and name HN) 4.0 2.2 1.0
assign (resid 45 and name HB2)(resid 45 and name HN) 4.0 2.2 1.0
assign (resid 45 and name HA)(resid 45 and name HN) 4.0 2.2 1.0
assign (resid 46 and name HB2)(resid 46 and name HN) 4.0 2.2 1.0
assign (resid 46 and name HB1)(resid 46 and name HN) 4.0 2.2 1.0
assign (resid 49 and name HG1)(resid 49 and name HN) 4.0 2.2 1.0
assign (resid 49 and name HB1)(resid 49 and name HN) 3.0 1.2 0.5
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assign (resid 51 and name HB2)(resid 51 and name HN) 4.0 2.2 1.0
assign (resid 51 and name HA)(resid 51 and name HN) 4.0 2.2 1.0
assign (resid 52 and name HG2)(resid 52 and name HN) 3.0 1.2 0.5
assign (resid 53 and name HG2#)(resid 53 and name HN) 4.0 2.2 1.5
assign (resid 53 and name HG11)(resid 53 and name HN) 4.0 2.2 1.0
assign (resid 53 and name HA)(resid 53 and name HN) 4.0 2.2 1.0
assign (resid 53 and name HD1#)(resid 53 and name HN) 4.0 2.2 1.5
assign (resid 53 and name HG12)(resid 53 and name HN) 3.0 1.2 0.5
assign (resid 53 and name HB)(resid 53 and name HN) 3.0 1.2 0.5
assign (resid 54 and name HG12)(resid 54 and name HN) 3.0 1.2 0.5
assign (resid 54 and name HG2#)(resid 54 and name HN) 4.0 2.2 1.5
assign (resid 54 and name HB)(resid 54 and name HN) 3.0 1.2 0.5
assign (resid 54 and name HA)(resid 54 and name HN) 4.0 2.2 1.0
assign (resid 54 and name HG11)(resid 54 and name HN) 4.0 2.2 1.0
assign (resid 55 and name HB#)(resid 55 and name HN) 2.5 0.7 0.9
assign (resid 55 and name HA)(resid 55 and name HN) 4.0 2.2 1.0
assign (resid 56 and name HA)(resid 56 and name HN) 3.0 1.2 0.5
assign (resid 56 and name HB2)(resid 56 and name HN) 2.5 0.7 0.4
assign (resid 56 and name HB1)(resid 56 and name HN) 3.0 1.2 0.5
assign (resid 57 and name HA)(resid 57 and name HN) 3.0 1.2 0.5
assign (resid 57 and name HB#)(resid 57 and name HN) 2.5 0.7 0.9
assign (resid 58 and name HA)(resid 58 and name HN) 4.0 2.2 1.0
assign (resid 58 and name HB1)(resid 58 and name HN) 3.0 1.2 0.5
assign (resid 59 and name HB#)(resid 59 and name HN) 4.0 2.2 1.0
assign (resid 59 and name HA)(resid 59 and name HN) 2.5 0.7 0.4
assign (resid 59 and name HG2)(resid 59 and name HN) 4.0 2.2 1.0
assign (resid 60 and name HG2#)(resid 60 and name HN) 3.0 1.2 0.9
assign (resid 60 and name HA)(resid 60 and name HN) 3.0 1.2 0.5
assign (resid 60 and name HB)(resid 60 and name HN) 4.0 2.2 1.0
assign (resid 61 and name HG2)(resid 61 and name HN) 4.0 2.2 1.0
assign (resid 61 and name HB1)(resid 61 and name HN) 4.0 2.2 1.0
assign (resid 61 and name HB2)(resid 61 and name HN) 4.0 2.2 1.0
assign (resid 61 and name HA)(resid 61 and name HN) 4.0 2.2 1.0
assign (resid 63 and name HA)(resid 63 and name HN) 4.0 2.2 1.0
assign (resid 63 and name HB2)(resid 63 and name HN) 4.0 2.2 1.0
assign (resid 63 and name HG2)(resid 63 and name HN) 4.0 2.2 1.0
assign (resid 64 and name HG1#)(resid 64 and name HN) 4.0 2.2 1.5
assign (resid 64 and name HA)(resid 64 and name HN) 4.0 2.2 1.0
assign (resid 64 and name HG2#)(resid 64 and name HN) 3.0 1.2 1.0
assign (resid 64 and name HB)(resid 64 and name HN) 2.5 0.7 0.4
assign (resid 65 and name HG12)(resid 65 and name HN) 4.0 2.2 1.0
assign (resid 65 and name HB)(resid 65 and name HN) 4.0 2.2 1.0
assign (resid 66 and name HA)(resid 66 and name HN) 4.0 2.2 1.0
assign (resid 66 and name HB2)(resid 66 and name HN) 4.0 2.2 1.0
assign (resid 66 and name HZ2)(resid 66 and name HE1) 4.0 2.2 1.0
assign (resid 66 and name HD1)(resid 66 and name HE1) 2.5 0.7 0.4
assign (resid 68 and name HB1)(resid 68 and name HN) 4.0 2.2 1.0
assign (resid 68 and name HB2)(resid 68 and name HN) 4.0 2.2 1.0
assign (resid 69 and name HA)(resid 69 and name HN) 4.0 2.2 1.0
assign (resid 69 and name HB2)(resid 69 and name HN) 4.0 2.2 1.0
assign (resid 70 and name HB1)(resid 70 and name HN) 4.0 2.2 1.0
assign (resid 70 and name HA)(resid 70 and name HN) 4.0 2.2 1.0
assign (resid 70 and name HB2)(resid 70 and name HN) 4.0 2.2 1.0
assign (resid 71 and name HA)(resid 71 and name HN) 3.0 1.2 0.5
assign (resid 71 and name HB1)(resid 71 and name HN) 3.0 1.2 0.5
assign (resid 72 and name HA)(resid 72 and name HN) 4.0 2.2 1.0
assign (resid 73 and name HA#)(resid 73 and name HN) 4.0 2.2 1.0
assign (resid 74 and name HA)(resid 74 and name HN) 4.0 2.2 1.0
assign (resid 14 and name HA)(resid 14 and name HN) 3.0 1.2 0.5
assign (resid 18 and name HG)(resid 18 and name HN) 4.0 2.2 1.0
assign (resid 20 and name HD#)(resid 20 and name HN) 4.0 2.2 1.0
assign (resid 20 and name HB#)(resid 20 and name HN) 2.5 0.7 0.4
assign (resid 30 and name HG1)(resid 30 and name HN) 4.0 2.2 1.0
assign (resid 31 and name HB2)(resid 31 and name HN) 3.0 1.2 0.5
assign (resid 31 and name HB1)(resid 31 and name HN) 3.0 1.2 0.5
assign (resid 39 and name HG)(resid 39 and name HN) 4.0 2.2 1.0
assign (resid 40 and name HB#)(resid 40 and name HN) 2.5 0.7 0.9
assign (resid 41 and name HA)(resid 41 and name HN) 3.0 1.2 0.5
assign (resid 42 and name HB#)(resid 42 and name HN) 2.5 0.7 0.9
assign (resid 43 and name HA)(resid 43 and name HN) 3.0 1.2 0.5
assign (resid 44 and name HB1)(resid 44 and name HN) 4.0 2.2 1.0
assign (resid 45 and name HG2)(resid 45 and name HN) 4.0 2.2 1.0
assign (resid 46 and name HB1)(resid 46 and name HN) 4.0 2.2 1.0
assign (resid 54 and name HG2#)(resid 54 and name HN) 4.0 2.2 1.5
assign (resid 61 and name HA)(resid 61 and name HN) 4.0 2.2 1.0
assign (resid 63 and name HA)(resid 63 and name HN) 4.0 2.2 1.0
assign (resid 66 and name HZ2)(resid 66 and name HE1) 4.0 2.2 1.0
assign (resid 66 and name HD1)(resid 66 and name HE1) 2.5 0.7 0.4
assign (resid 72 and name HB#)(resid 72 and name HN) 4.0 2.2 1.5

!H-bonds used for Ner structure calculations
!Helix 1
assign (resid 10 and name o)  (resid 14 and name n) 3.3 1.0 0.2
assign (resid 10 and name o) (resid 14 and name hn) 2.3 1.0 0.2

assign (resid 11 and name o)  (resid 15 and name n) 3.3 1.0 0.2
assign (resid 11 and name o) (resid 15 and name hn) 2.3 1.0 0.2

assign (resid 12 and name o)  (resid 16 and name n) 3.3 1.0 0.2
assign (resid 12 and name o) (resid 16 and name hn) 2.3 1.0 0.2

assign (resid 13 and name o)  (resid 17 and name n) 3.3 1.0 0.2
assign (resid 13 and name o) (resid 17 and name hn) 2.3 1.0 0.2

assign (resid 14 and name o)  (resid 18 and name n) 3.3 1.0 0.2
assign (resid 14 and name o) (resid 18 and name hn) 2.3 1.0 0.2

assign (resid 15 and name o)  (resid 19 and name n) 3.3 1.0 0.2
assign (resid 15 and name o) (resid 19 and name hn) 2.3 1.0 0.2

assign (resid 16 and name o)  (resid 20 and name n) 3.3 1.0 0.2
assign (resid 16 and name o) (resid 20 and name hn) 2.3 1.0 0.2

!Helix 2
assign (resid 25 and name o)  (resid 29 and name n) 3.3 1.0 0.2
assign (resid 25 and name o) (resid 29 and name hn) 2.3 1.0 0.2

assign (resid 26 and name o)  (resid 30 and name n) 3.3 1.0 0.2
assign (resid 26 and name o) (resid 30 and name hn) 2.3 1.0 0.2

assign (resid 27 and name o)  (resid 31 and name n) 3.3 1.0 0.2
assign (resid 27 and name o) (resid 31 and name hn) 2.3 1.0 0.2

!Helix 3
assign (resid 36 and name o)  (resid 40 and name n) 3.3 1.0 0.2
assign (resid 36 and name o) (resid 40 and name hn) 2.3 1.0 0.2

assign (resid 37 and name o)  (resid 41 and name n) 3.3 1.0 0.2
assign (resid 37 and name o) (resid 41 and name hn) 2.3 1.0 0.2

assign (resid 38 and name o)  (resid 42 and name n) 3.3 1.0 0.2
assign (resid 38 and name o) (resid 42 and name hn) 2.3 1.0 0.2


!Helix 4
assign (resid 48 and name o)  (resid 52 and name n) 3.3 1.0 0.2
assign (resid 48 and name o) (resid 52 and name hn) 2.3 1.0 0.2

assign (resid 49 and name o)  (resid 53 and name n) 3.3 1.0 0.2
assign (resid 49 and name o) (resid 53 and name hn) 2.3 1.0 0.2

assign (resid 50 and name o)  (resid 54 and name n) 3.3 1.0 0.2
assign (resid 50 and name o) (resid 54 and name hn) 2.3 1.0 0.2

assign (resid 51 and name o)  (resid 55 and name n) 3.3 1.0 0.2
assign (resid 51 and name o) (resid 55 and name hn) 2.3 1.0 0.2

assign (resid 52 and name o)  (resid 56 and name n) 3.3 1.0 0.2
assign (resid 52 and name o) (resid 56 and name hn) 2.3 1.0 0.2

assign (resid 53 and name o)  (resid 57 and name n) 3.3 1.0 0.2
assign (resid 53 and name o) (resid 57 and name hn) 2.3 1.0 0.2

!Helix 5
assign (resid 62 and name o)  (resid 66 and name n) 3.3 1.0 0.2
assign (resid 62 and name o) (resid 66 and name hn) 2.3 1.0 0.2


B. Torsion angle restraints
restraints dihed reset

!Phi Angle Constraints

!R7
assign (resid 6 and name c)  (resid 7 and name n)
       (resid 7 and name ca) (resid 7 and name c) 1.0 -132.0 60.0 2

!D8
assign (resid 7 and name c)  (resid 8 and name n)
       (resid 8 and name ca) (resid 8 and name c) 1.0 -100.0 60.0 2
!W9
assign (resid 8 and name c)  (resid 9 and name n)
       (resid 9 and name ca) (resid 9 and name c) 1.0  -60.0 30.0 2

!R11
assign (resid 10 and name c)  (resid 11 and name n)
       (resid 11 and name ca) (resid 11 and name c) 1.0 -60.0 30.0 2

!A12
assign (resid 11 and name c)  (resid 12 and name n)
       (resid 12 and name ca) (resid 12 and name c) 1.0 -60.0 30.0 2

!D13
assign (resid 12 and name c)  (resid 13 and name n)
       (resid 13 and name ca) (resid 13 and name c) 1.0 -58.0 10.0 2

!V14
assign (resid 13 and name c)  (resid 14 and name n)
       (resid 14 and name ca) (resid 14 and name c) 1.0 -74.0 10.0 2

!I15
assign (resid 14 and name c)  (resid 15 and name n)
       (resid 15 and name ca) (resid 15 and name c) 1.0 -60.0 30.0 2

!A16
assign (resid 15 and name c)  (resid 16 and name n)
       (resid 16 and name ca) (resid 16 and name c) 1.0 -50.0 10.0 2

!G17
assign (resid 16 and name c)  (resid 17 and name n)
       (resid 17 and name ca) (resid 17 and name c) 1.0 -60.0 30.0 2

!L18
assign (resid 17 and name c)  (resid 18 and name n)
       (resid 18 and name ca) (resid 18 and name c) 1.0 -60.0 30.0 2

!K19
assign (resid 18 and name c)  (resid 19 and name n)
       (resid 19 and name ca) (resid 19 and name c) 1.0 -52.0 20.0 2

!K20
assign (resid 19 and name c)  (resid 20 and name n)
       (resid 20 and name ca) (resid 20 and name c) 1.0 -53.0 20.0 2

!R21
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 30.0 2


!S24
assign (resid 23 and name c)  (resid 24 and name n)
       (resid 24 and name ca) (resid 24 and name c) 1.0 -90.0 60.0 2

!L25
assign (resid 24 and name c)  (resid 25 and name n)
       (resid 25 and name ca) (resid 25 and name c) 1.0 -60.0 30.0 2

!S26
assign (resid 25 and name c)  (resid 26 and name n)
       (resid 26 and name ca) (resid 26 and name c) 1.0 -60.0 30.0 2

!A27
assign (resid 26 and name c)  (resid 27 and name n)
       (resid 27 and name ca) (resid 27 and name c) 1.0 -60.0 30.0 2

!L28
assign (resid 27 and name c)  (resid 28 and name n)
       (resid 28 and name ca) (resid 28 and name c) 1.0 -58.0 10.0 2

!S29
assign (resid 28 and name c)  (resid 29 and name n)
       (resid 29 and name ca) (resid 29 and name c) 1.0 -61.0 10.0 2

!R30
assign (resid 29 and name c)  (resid 30 and name n)
       (resid 30 and name ca) (resid 30 and name c) 1.0 -78.0 10.0 2

!Q31
assign (resid 30 and name c)  (resid 31 and name n)
       (resid 31 and name ca) (resid 31 and name c) 1.0 -74.0 10.0 2

!F32
assign (resid 31 and name c)  (resid 32 and name n)
       (resid 32 and name ca) (resid 32 and name c) 1.0 -79.0 30.0 2

!T38
assign (resid 37 and name c)  (resid 38 and name n)
       (resid 38 and name ca) (resid 38 and name c) 1.0 -45.0 10.0 2

!L39
assign (resid 38 and name c)  (resid 39 and name n)
       (resid 39 and name ca) (resid 39 and name c) 1.0 -39.0 10.0 2

!A40
assign (resid 39 and name c)  (resid 40 and name n)
       (resid 40 and name ca) (resid 40 and name c) 1.0 -50.0 10.0 2

!N41
assign (resid 40 and name c)  (resid 41 and name n)
       (resid 41 and name ca) (resid 41 and name c) 1.0 -77.0 20.0 2

!A42
assign (resid 41 and name c)  (resid 42 and name n)
       (resid 42 and name ca) (resid 42 and name c) 1.0 -84.0 10.0 2

!L43
assign (resid 42 and name c)  (resid 43 and name n)
       (resid 43 and name ca) (resid 43 and name c) 1.0 -70.0 30.0 2

!E44
assign (resid 43 and name c)  (resid 44 and name n)
       (resid 44 and name ca) (resid 44 and name c) 1.0 -112.0 20.0 2

!R45
assign (resid 44 and name c)  (resid 45 and name n)
       (resid 45 and name ca) (resid 45 and name c) 1.0  -60.0 30.0 2

!H46
assign (resid 45 and name c)  (resid 46 and name n)
       (resid 46 and name ca) (resid 46 and name c) 1.0  -60.0 30.0 2

!W47
assign (resid 46 and name c)  (resid 47 and name n)
       (resid 47 and name ca) (resid 47 and name c) 1.0 -180.0 60.0 2

!K49
assign (resid 48 and name c)  (resid 49 and name n)
       (resid 49 and name ca) (resid 49 and name c) 1.0 -70.0 20.0 2

!G50
assign (resid 49 and name c)  (resid 50 and name n)
       (resid 50 and name ca) (resid 50 and name c) 1.0 -60.0 30.0 2

!E51
assign (resid 50 and name c)  (resid 51 and name n)
       (resid 51 and name ca) (resid 51 and name c) 1.0 -59.0 10.0 2

!Q52
assign (resid 51 and name c)  (resid 52 and name n)
       (resid 52 and name ca) (resid 52 and name c) 1.0 -51.0 10.0 2

!I53
assign (resid 52 and name c)  (resid 53 and name n)
       (resid 53 and name ca) (resid 53 and name c) 1.0 -50.0 10.0 2

!I54
assign (resid 53 and name c)  (resid 54 and name n)
       (resid 54 and name ca) (resid 54 and name c) 1.0 -66.0 10.0 2

!A55
assign (resid 54 and name c)  (resid 55 and name n)
       (resid 55 and name ca) (resid 55 and name c) 1.0 -57.0 15.0 2

!N56
assign (resid 55 and name c)  (resid 56 and name n)
       (resid 56 and name ca) (resid 56 and name c) 1.0 -60.0 13.0 2

!A57
assign (resid 56 and name c)  (resid 57 and name n)
       (resid 57 and name ca) (resid 57 and name c) 1.0 -71.0 10.0 2

!L58
assign (resid 57 and name c)  (resid 58 and name n)
       (resid 58 and name ca) (resid 58 and name c) 1.0 -90.0 30.0 2

!E59
assign (resid 58 and name c)  (resid 59 and name n)
       (resid 59 and name ca) (resid 59 and name c) 1.0  62.0 10.0 2

!T60
assign (resid 59 and name c)  (resid 60 and name n)
       (resid 60 and name ca) (resid 60 and name c) 1.0 -132.0 20.0 2

!K61
assign (resid 60 and name c)  (resid 61 and name n)
       (resid 61 and name ca) (resid 61 and name c) 1.0 -120.0 60.0 2

!E63
assign (resid 62 and name c)  (resid 63 and name n)
       (resid 63 and name ca) (resid 63 and name c) 1.0 -48.0 30.0 2

!V64
assign (resid 63 and name c)  (resid 64 and name n)
       (resid 64 and name ca) (resid 64 and name c) 1.0 -120.0 30.0 2

!I65
assign (resid 64 and name c)  (resid 65 and name n)
       (resid 65 and name ca) (resid 65 and name c) 1.0 -80.0 10.0 2

!W66
assign (resid 65 and name c)  (resid 66 and name n)
       (resid 66 and name ca) (resid 66 and name c) 1.0 -137.0 20.0 2

!S68
assign (resid 67 and name c)  (resid 68 and name n)
       (resid 68 and name ca) (resid 68 and name c) 1.0 -60.0 30.0 2

!R69
assign (resid 68 and name c)  (resid 69 and name n)
       (resid 69 and name ca) (resid 69 and name c) 1.0 -120.0 60.0 2

!Y70
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 60.0 2

!Q71
assign (resid 70 and name c)  (resid 71 and name n)
       (resid 71 and name ca) (resid 71 and name c) 1.0 -140.0 40.0 2

!E74
assign (resid 73 and name c)  (resid 74 and name n)
       (resid 74 and name ca) (resid 74 and name c) 1.0 -76.0 70.0 2

!Chi1 angles
!Added 11/23/94
!V14
assign (resid 14 and name n)  (resid 14 and name ca)
       (resid 14 and name cb) (resid 14 and name cg1) 1.0 180.0 20.0 2

!V64
assign (resid 64 and name n)  (resid 64 and name ca)
       (resid 64 and name cb) (resid 64 and name cg1) 1.0 180.0 20.0 2

!I15
assign (resid 15 and name n)  (resid 15 and name ca)
       (resid 15 and name cb) (resid 15 and name cg1) 1.0 -60.0 20.0 2

!I53
assign (resid 53 and name n)  (resid 53 and name ca)
       (resid 53 and name cb) (resid 53 and name cg1) 1.0 -60.0 20.0 2

!I54
assign (resid 54 and name n)  (resid 54 and name ca)
       (resid 54 and name cb) (resid 54 and name cg1) 1.0 -60.0 20.0 2

!I65
assign (resid 65 and name n)  (resid 65 and name ca)
       (resid 65 and name cb) (resid 65 and name cg1) 1.0 -60.0 20.0 2

!T37
assign (resid 37 and name n)  (resid 37 and name ca)
       (resid 37 and name cb) (resid 37 and name og1) 1.0 60.0 20.0 2

!T38
assign (resid 38 and name n)  (resid 38 and name ca)
       (resid 38 and name cb) (resid 38 and name og1) 1.0 -60.0 20.0 2

!T60
assign (resid 60 and name n)  (resid 60 and name ca)
       (resid 60 and name cb) (resid 60 and name og1) 1.0 180.0 20.0 2

!Added 04/07/95

!W9
assign (resid 9 and name n)  (resid 9 and name ca)
       (resid 9 and name cb) (resid 9 and name cg) 1.0 -60.0 20.0 2

!D13
assign (resid 13 and name n)  (resid 13 and name ca)
       (resid 13 and name cb) (resid 13 and name cg) 1.0 -60.0 20.0 2

!L18
assign (resid 18 and name n)  (resid 18 and name ca)
       (resid 18 and name cb) (resid 18 and name cg) 1.0 -60.0 20.0 2

!R21
assign (resid 21 and name n)  (resid 21 and name ca)
       (resid 21 and name cb) (resid 21 and name cg) 1.0 -60.0 20.0 2

!S24
assign (resid 24 and name n)  (resid 24 and name ca)
       (resid 24 and name cb) (resid 24 and name og) 1.0 60.0 20.0 2

!L25
assign (resid 25 and name n)  (resid 25 and name ca)
       (resid 25 and name cb) (resid 25 and name cg) 1.0 -60.0 20.0 2

!F32
assign (resid 32 and name n)  (resid 32 and name ca)
       (resid 32 and name cb) (resid 32 and name cg) 1.0 -60.0 20.0 2

!Y34
assign (resid 34 and name n)  (resid 34 and name ca)
       (resid 34 and name cb) (resid 34 and name cg) 1.0 -60.0 20.0 2

!K49
assign (resid 49 and name n)  (resid 49 and name ca)
       (resid 49 and name cb) (resid 49 and name cg) 1.0 180.0 20.0 2

!E51
assign (resid 51 and name n)  (resid 51 and name ca)
       (resid 51 and name cb) (resid 51 and name cg) 1.0 -60.0 20.0 2

!K61
assign (resid 61 and name n)  (resid 61 and name ca)
       (resid 61 and name cb) (resid 61 and name cg) 1.0 -60.0 20.0 2

!W66
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

!Added 04/11/95

!D8
assign (resid 8 and name n)  (resid 8 and name ca)
       (resid 8 and name cb) (resid 8 and name cg) 1.0 -60.0 20.0 2

!L23
assign (resid 23 and name n)  (resid 23 and name ca)
       (resid 23 and name cb) (resid 23 and name cg) 1.0 -60.0 20.0 2

!R69
assign (resid 69 and name n)  (resid 69 and name ca)
       (resid 69 and name cb) (resid 69 and name cg) 1.0 -60.0 20.0 2

!Y70
assign (resid 70 and name n)  (resid 70 and name ca)
       (resid 70 and name cb) (resid 70 and name cg) 1.0 -60.0 20.0 2

!Added 04/12/95

!R7
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

!Chi2 angles
!Added 04/13/95

!L18
assign (resid 18 and name ca) (resid 18 and name cb)
       (resid 18 and name cg) (resid 18 and name cd1)   1.0 180.0 20.0 2

!L23
assign (resid 23 and name ca) (resid 23 and name cb)
       (resid 23 and name cg) (resid 23 and name cd1)   1.0 180.0 20.0 2

!I53
assign (resid 53 and name ca) (resid 53 and name cb)
       (resid 53 and name cg1) (resid 53 and name cd1)   1.0 180.0 20.0 2

!I54
assign (resid 54 and name ca) (resid 54 and name cb)
       (resid 54 and name cg1) (resid 54 and name cd1)   1.0 180.0 20.0 2



C. Coupling constant restraints

!remark phi angle coupling constants

  !!    R7
 assign (resid  6  and name c ) (resid  7  and name n ) 
        (resid  7  and name ca) (resid  7  and name c )   8.6 0.5 
  !!    D8
 assign (resid  7  and name c ) (resid  8  and name n )
        (resid  8  and name ca) (resid  8  and name c )   5.7 0.5
  !!    W9
 assign (resid  8  and name c ) (resid  9  and name n ) 
        (resid  9  and name ca) (resid  9  and name c )   5.8 0.5 
  !!    D13
 assign (resid 12 and name c ) (resid 13 and name n ) 
        (resid 13 and name ca) (resid 13 and name c )     6.1 0.5 
  !!    V14
 assign (resid 13 and name c ) (resid 14 and name n ) 
        (resid 14 and name ca) (resid 14 and name c )     7.1 0.5 
  !!    A16
 assign (resid 15 and name c ) (resid 16 and name n ) 
        (resid 16 and name ca) (resid 16 and name c )     4.1 0.5 
  !!    L18
 assign (resid 17 and name c ) (resid 18 and name n ) 
        (resid 18 and name ca) (resid 18 and name c )     5.1 0.5 
  !!    K19
 assign (resid 18 and name c ) (resid 19 and name n )
        (resid 19 and name ca) (resid 19 and name c )     4.2 0.5
  !!    K20
 assign (resid 19 and name c ) (resid 20 and name n ) 
        (resid 20 and name ca) (resid 20 and name c )     3.7 0.5 
  !!    R21
 assign (resid 20 and name c ) (resid 21 and name n ) 
        (resid 21 and name ca) (resid 21 and name c )     9.9 0.5 
  !!    K22
 assign (resid 21 and name c ) (resid 22 and name n ) 
        (resid 22 and name ca) (resid 22 and name c )     7.5 0.5 
  !!    S24
 assign (resid 23 and name c ) (resid 24 and name n )
        (resid 24 and name ca) (resid 24 and name c )     8.6 0.5
  !!    L28
 assign (resid 27 and name c ) (resid 28 and name n ) 
        (resid 28 and name ca) (resid 28 and name c )     5.1 0.5 
  !!    S29
 assign (resid 28 and name c ) (resid 29 and name n ) 
        (resid 29 and name ca) (resid 29 and name c )     5.3 0.5 
  !!    R30
 assign (resid 29 and name c ) (resid 30 and name n )
        (resid 30 and name ca) (resid 30 and name c )     4.8 0.5
  !!    Q31
 assign (resid 30 and name c ) (resid 31 and name n )
        (resid 31 and name ca) (resid 31 and name c )     4.9 0.5
  !!    F32
 assign (resid 31 and name c ) (resid 32 and name n ) 
        (resid 32 and name ca) (resid 32 and name c )     9.8 0.5 
  !!    T38
 assign (resid 37 and name c ) (resid 38 and name n ) 
        (resid 38 and name ca) (resid 38 and name c )     4.1 0.5 
  !!    L39
 assign (resid 38 and name c ) (resid 39 and name n )
        (resid 39 and name ca) (resid 39 and name c )     3.5 0.5
  !!    A40
 assign (resid 39 and name c ) (resid 40 and name n )
        (resid 40 and name ca) (resid 40 and name c )     4.1 0.5
  !!    A42
 assign (resid 41 and name c ) (resid 42 and name n ) 
        (resid 42 and name ca) (resid 42 and name c )     5.2 0.5 
  !!    L43
 assign (resid 42 and name c ) (resid 43 and name n ) 
        (resid 43 and name ca) (resid 43 and name c )     7.2 0.5 
  !!    R45
 assign (resid 44 and name c ) (resid 45 and name n ) 
        (resid 45 and name ca) (resid 45 and name c )     5.7 0.5 
  !!    W47
 assign (resid 46 and name c ) (resid 47 and name n ) 
        (resid 47 and name ca) (resid 47 and name c )     5.9 0.5 
  !!    K49
 assign (resid 48 and name c ) (resid 49 and name n ) 
        (resid 49 and name ca) (resid 49 and name c )     6.2 0.5 
  !!    E51
 assign (resid 50 and name c ) (resid 51 and name n ) 
        (resid 51 and name ca) (resid 51 and name c )     6.3 0.5 
  !!    Q52
 assign (resid 51 and name c ) (resid 52 and name n ) 
        (resid 52 and name ca) (resid 52 and name c )     4.2 0.5 
  !!    I53
 assign (resid 52 and name c ) (resid 53 and name n ) 
        (resid 53 and name ca) (resid 53 and name c )     4.1 0.5 
  !!    I54
 assign (resid 53 and name c ) (resid 54 and name n )
        (resid 54 and name ca) (resid 54 and name c )     5.1 0.5
  !!    A55
 assign (resid 54 and name c ) (resid 55 and name n )
        (resid 55 and name ca) (resid 55 and name c )     4.3 0.5
  !!    N56
 assign (resid 55 and name c ) (resid 56 and name n ) 
        (resid 56 and name ca) (resid 56 and name c )     3.0 0.5 
  !!    A57
 assign (resid 56 and name c ) (resid 57 and name n ) 
        (resid 57 and name ca) (resid 57 and name c )     4.2 0.5 
  !!    L58
 assign (resid 57 and name c ) (resid 58 and name n )
        (resid 58 and name ca) (resid 58 and name c )     8.6 0.5
  !!    E59
 assign (resid 58 and name c ) (resid 59 and name n ) 
        (resid 59 and name ca) (resid 59 and name c )     6.6 0.5 
  !!    T60
 assign (resid 59 and name c ) (resid 60 and name n ) 
        (resid 60 and name ca) (resid 60 and name c )     9.0 0.5 
  !!    K61
 assign (resid 60 and name c ) (resid 61 and name n ) 
        (resid 61 and name ca) (resid 61 and name c )     9.4 0.5 
  !!    E63
 assign (resid 62 and name c ) (resid 63 and name n ) 
        (resid 63 and name ca) (resid 63 and name c )     3.5 0.5 
  !!    V64
 assign (resid 63 and name c ) (resid 64 and name n ) 
        (resid 64 and name ca) (resid 64 and name c )     8.9 0.5 
  !!    I65
 assign (resid 64 and name c ) (resid 65 and name n ) 
        (resid 65 and name ca) (resid 65 and name c )     8.2 0.5 
  !!    W66
 assign (resid 65 and name c ) (resid 66 and name n ) 
        (resid 66 and name ca) (resid 66 and name c )     10.5 0.5 
  !!    R69
 assign (resid 68 and name c ) (resid 69 and name n ) 
        (resid 69 and name ca) (resid 69 and name c )     9.7 0.5 
  !!    Y70
 assign (resid 69 and name c ) (resid 70 and name n ) 
        (resid 70 and name ca) (resid 70 and name c )     10.9 0.5 
  !!    Q71
 assign (resid 70 and name c ) (resid 71 and name n ) 
        (resid 71 and name ca) (resid 71 and name c )     7.0 0.5 
  !!    E74
 assign (resid 73 and name c ) (resid 74 and name n )
        (resid 74 and name ca) (resid 74 and name c )     8.4 0.5


D. 13C shift restraints
!Ca and Cb shifts

  !!    s2
 assign (resid  1  and name c ) (resid  2  and name n ) 
        (resid  2  and name ca) (resid  2  and name c )
	(resid  3  and name n )  			  58.50 63.96
  !!    n3
 assign (resid  2  and name c ) (resid  3  and name n ) 
        (resid  3  and name ca) (resid  3  and name c )  
	(resid  4  and name n ) 			  53.55 39.02
  !!    e4
 assign (resid  3  and name c ) (resid  4  and name n ) 
        (resid  4  and name ca) (resid  4  and name c ) 
	(resid  5  and name n ) 			  57.22 30.39
  !!    k5
 assign (resid  4  and name c ) (resid  5  and name n )
        (resid  5  and name ca) (resid  5  and name c )
	(resid  6  and name n )			          56.39 33.11
  !!    a6
 assign (resid  5  and name c ) (resid  6  and name n ) 
        (resid  6  and name ca) (resid  6  and name c )
	(resid  7  and name n )          		  52.82 19.43
  !!    r7
 assign (resid  6  and name c ) (resid  7  and name n ) 
        (resid  7  and name ca) (resid  7  and name c )
	(resid  8  and name n )   			  55.32 31.94
  !!    d8
 assign (resid  7  and name c ) (resid  8  and name n )
        (resid  8  and name ca) (resid  8  and name c )
        (resid  9  and name n )   			  54.42 40.95
  !!    w9
 assign (resid  8  and name c ) (resid  9  and name n ) 
        (resid  9  and name ca) (resid  9  and name c ) 
	(resid  10  and name n )  		          57.55 29.43
  !!    h10
 assign (resid  9  and name c ) (resid  10  and name n )
        (resid 10  and name ca) (resid  10  and name c )
	(resid 11 and name n )   			  56.10 30.74
  !!    r11
 assign (resid 10 and name c ) (resid 11 and name n ) 
        (resid 11 and name ca) (resid 11 and name c ) 
	(resid 12 and name n )    			  60.95 30.32
  !!    a12
 assign (resid 11 and name c ) (resid 12 and name n ) 
        (resid 12 and name ca) (resid 12 and name c )   
	(resid 13 and name n )  		          55.34 18.84
  !!    d13
 assign (resid 12 and name c ) (resid 13 and name n ) 
        (resid 13 and name ca) (resid 13 and name c )
	(resid 14 and name n )     			  57.27 41.24
  !!    v14
 assign (resid 13 and name c ) (resid 14 and name n ) 
        (resid 14 and name ca) (resid 14 and name c )
	(resid 15 and name n )     			  67.23 32.02
  !!    i15
 assign (resid 14 and name c ) (resid 15 and name n ) 
        (resid 15 and name ca) (resid 15 and name c )
	(resid 16 and name n )     			  65.16 37.85
  !!    a16
 assign (resid 15 and name c ) (resid 16 and name n ) 
        (resid 16 and name ca) (resid 16 and name c ) 
	(resid 17 and name n )    			  55.48 18.52
  !!    g17
 assign (resid 16 and name c ) (resid 17 and name n ) 
        (resid 17 and name ca) (resid 17 and name c ) 
	(resid 18 and name n )    			  47.55 0.00
  !!    l18
 assign (resid 17 and name c ) (resid 18 and name n ) 
        (resid 18 and name ca) (resid 18 and name c )
	(resid 19 and name n )     			  58.18 41.19
  !!    k19
assign  (resid 18 and name c ) (resid 19 and name n )
        (resid 19 and name ca) (resid 19 and name c )
        (resid 20 and name n )     			  60.19 32.45
  !!    k20
 assign (resid 19 and name c ) (resid 20 and name n ) 
        (resid 20 and name ca) (resid 20 and name c )
	(resid 21 and name n )     			  59.31 32.65
  !!    r21
 assign (resid 20 and name c ) (resid 21 and name n ) 
        (resid 21 and name ca) (resid 21 and name c )
	(resid 22 and name n )     			  55.66 30.26
  !!    k22
 assign (resid 21 and name c ) (resid 22 and name n ) 
        (resid 22 and name ca) (resid 22 and name c )
	(resid 23 and name n )     		          57.46 28.72
  !!    l23
 assign (resid 22 and name c ) (resid 23 and name n )
        (resid 23 and name ca) (resid 23 and name c )
	(resid 24 and name n ) 		          	  53.15 47.29
  !!    s24
 assign (resid 23 and name c ) (resid 24 and name n )
        (resid 24 and name ca) (resid 24 and name c )
	(resid 25 and name n )   			  56.15 66.17
  !!    l25
 assign (resid 24 and name c ) (resid 25 and name n )
        (resid 25 and name ca) (resid 25 and name c )
	(resid 26 and name n )   			  58.89 41.66
  !!    s26
 assign (resid 25 and name c ) (resid 26 and name n ) 
        (resid 26 and name ca) (resid 26 and name c ) 
	(resid 27 and name n )    			  61.10 62.75
  !!    a27
 assign (resid 26 and name c ) (resid 27 and name n ) 
        (resid 27 and name ca) (resid 27 and name c )
	(resid 28 and name n )     			  55.42 18.85
  !!    l28
 assign (resid 27 and name c ) (resid 28 and name n ) 
        (resid 28 and name ca) (resid 28 and name c )
	(resid 29 and name n )    			  57.77 43.33
  !!    s29
 assign (resid 28 and name c ) (resid 29 and name n ) 
        (resid 29 and name ca) (resid 29 and name c ) 
	(resid 30 and name n )    			  63.40 64.21
  !!    r30
 assign (resid 29 and name c ) (resid 30 and name n )
        (resid 30 and name ca) (resid 30 and name c )
        (resid 31 and name n )    			  59.17 30.53
  !!    q31
! assign (resid 30 and name c ) (resid 31 and name n )
!        (resid 31 and name ca) (resid 31 and name c )
!        (resid 32 and name n )    			  58.85 28.50
  !!    f32
 assign (resid 31 and name c ) (resid 32 and name n ) 
        (resid 32 and name ca) (resid 32 and name c ) 
	(resid 33 and name n )    			  59.10 39.85
  !!    g33
 assign (resid 32 and name c ) (resid 33 and name n )
        (resid 33 and name ca) (resid 33 and name c )
        (resid 34 and name n )    			  46.20 0.00
  !!    y34
 assign (resid 33 and name c ) (resid 34 and name n )
        (resid 34 and name ca) (resid 34 and name c )
        (resid 35 and name n )    			  56.28 40.73
  !!    a35
 assign (resid 34 and name c ) (resid 35 and name n )
        (resid 35 and name ca) (resid 35 and name c )
        (resid 36 and name n )    			  51.44 17.12
  !!    p36
 assign (resid 35 and name c ) (resid 36 and name n )
        (resid 36 and name ca) (resid 36 and name c )
        (resid 37 and name n )    			  66.15 32.53
  !!    t37
 assign (resid 36 and name c ) (resid 37 and name n ) 
        (resid 37 and name ca) (resid 37 and name c )   
	(resid 38 and name n )  			  62.61 69.34
  !!    t38
 assign (resid 37 and name c ) (resid 38 and name n ) 
        (resid 38 and name ca) (resid 38 and name c ) 
	(resid 39 and name n )    			  67.04 68.93
  !!    l39
 assign (resid 38 and name c ) (resid 39 and name n )
        (resid 39 and name ca) (resid 39 and name c )
        (resid 40 and name n )    			  58.27 41.97
  !!    a40
 assign (resid 39 and name c ) (resid 40 and name n )
        (resid 40 and name ca) (resid 40 and name c )
        (resid 41 and name n )    			  54.95 17.90
  !!    n41
 assign (resid 40 and name c ) (resid 41 and name n ) 
        (resid 41 and name ca) (resid 41 and name c )  
	(resid 42 and name n )   			  56.70 38.75
  !!    a42
 assign (resid 41 and name c ) (resid 42 and name n ) 
        (resid 42 and name ca) (resid 42 and name c ) 
	(resid 43 and name n )    			  53.40 18.27
  !!    l43
 assign (resid 42 and name c ) (resid 43 and name n ) 
        (resid 43 and name ca) (resid 43 and name c )
	(resid 44 and name n )     			  56.77 40.86
  !!    e44
 assign (resid 43 and name c ) (resid 44 and name n ) 
        (resid 44 and name ca) (resid 44 and name c ) 
	(resid 45 and name n )    			  56.71 32.29
  !!    r45
 assign (resid 44 and name c ) (resid 45 and name n ) 
        (resid 45 and name ca) (resid 45 and name c )
	(resid 46 and name n )     			  54.24 32.94
  !!    h46
 assign (resid 45 and name c ) (resid 46 and name n ) 
        (resid 46 and name ca) (resid 46 and name c )
	(resid 47 and name n )     			  54.44 28.57
  !!    w47
 assign (resid 46 and name c ) (resid 47 and name n ) 
        (resid 47 and name ca) (resid 47 and name c )
	(resid 48 and name n )     			  53.09 28.54
  !!    p48
 assign (resid 47 and name c ) (resid 48 and name n ) 
        (resid 48 and name ca) (resid 48 and name c )
	(resid 49 and name n )     			  66.67 31.70
  !!    k49
 assign (resid 48 and name c ) (resid 49 and name n ) 
        (resid 49 and name ca) (resid 49 and name c ) 
	(resid 50 and name n )    			  59.06 31.66
  !!    g50
 assign (resid 49 and name c ) (resid 50 and name n ) 
        (resid 50 and name ca) (resid 50 and name c )
	(resid 51 and name n )     			  46.78 0.00
  !!    e51
 assign (resid 50 and name c ) (resid 51 and name n ) 
        (resid 51 and name ca) (resid 51 and name c )
	(resid 52 and name n )     			  58.51 29.62
  !!    q52
 assign (resid 51 and name c ) (resid 52 and name n ) 
        (resid 52 and name ca) (resid 52 and name c ) 
	(resid 53 and name n )    			  59.37 28.26
  !!    i53
 assign (resid 52 and name c ) (resid 53 and name n ) 
        (resid 53 and name ca) (resid 53 and name c ) 
	(resid 54 and name n )    			  65.47 38.39
  !!    i54
 assign (resid 53 and name c ) (resid 54 and name n )
        (resid 54 and name ca) (resid 54 and name c )
	(resid 55 and name n )     			  66.12 38.83
  !!    a55
 assign (resid 54 and name c ) (resid 55 and name n )
        (resid 55 and name ca) (resid 55 and name c ) 
	(resid 56 and name n )    			  55.45 18.25
  !!    n56
 assign (resid 55 and name c ) (resid 56 and name n ) 
        (resid 56 and name ca) (resid 56 and name c )
	(resid 57 and name n )     			  56.29 38.29
  !!    a57
 assign (resid 56 and name c ) (resid 57 and name n ) 
        (resid 57 and name ca) (resid 57 and name c )
	(resid 58 and name n )     			  54.86 18.87
  !!    l58
 assign (resid 57 and name c ) (resid 58 and name n )
        (resid 58 and name ca) (resid 58 and name c )
	(resid 59 and name n )     			  54.13 42.49
  !!    e59
 assign (resid 58 and name c ) (resid 59 and name n ) 
        (resid 59 and name ca) (resid 59 and name c )
	(resid 60 and name n )     			  57.13 27.48
  !!    t60
 assign (resid 59 and name c ) (resid 60 and name n ) 
        (resid 60 and name ca) (resid 60 and name c )
	(resid 61 and name n )     			  59.21 69.58
  !!    k61
 assign (resid 60 and name c ) (resid 61 and name n ) 
        (resid 61 and name ca) (resid 61 and name c )
	(resid 62 and name n )     			  53.04 33.83
  !!    p62
 assign (resid 61 and name c ) (resid 62 and name n ) 
        (resid 62 and name ca) (resid 62 and name c ) 
	(resid 63 and name n )    			  66.16 32.53
  !!    e63
 assign (resid 62 and name c ) (resid 63 and name n ) 
        (resid 63 and name ca) (resid 63 and name c )
	(resid 64 and name n )     			  58.56 27.84
  !!    v64
 assign (resid 63 and name c ) (resid 64 and name n ) 
        (resid 64 and name ca) (resid 64 and name c )
	(resid 65 and name n )     			  64.57 31.85
  !!    i65
 assign (resid 64 and name c ) (resid 65 and name n ) 
        (resid 65 and name ca) (resid 65 and name c ) 
	(resid 66 and name n )    			  63.26 37.88
  !!    w66
 assign (resid 65 and name c ) (resid 66 and name n ) 
        (resid 66 and name ca) (resid 66 and name c )
	(resid 67 and name n )     			  55.60 28.64
  !!    p67
 assign (resid 66 and name c ) (resid 67 and name n )
        (resid 67 and name ca) (resid 67 and name c )
	(resid 68 and name n )     			  66.31 31.15
  !!    s68
 assign (resid 67 and name c ) (resid 68 and name n )
        (resid 68 and name ca) (resid 68 and name c )
        (resid 69 and name n )     			  57.62 61.60
  !!    r69
 assign (resid 68 and name c ) (resid 69 and name n ) 
        (resid 69 and name ca) (resid 69 and name c ) 
	(resid 70 and name n )    			  56.66 30.63
  !!    y70
 assign (resid 69 and name c ) (resid 70 and name n ) 
        (resid 70 and name ca) (resid 70 and name c )
	(resid 71 and name n )     			  58.49 40.42
  !!    q71
 assign (resid 70 and name c ) (resid 71 and name n ) 
        (resid 71 and name ca) (resid 71 and name c ) 
	(resid 72 and name n )    			  56.09 29.61
  !!    a72
 assign (resid 71 and name c ) (resid 72 and name n ) 
        (resid 72 and name ca) (resid 72 and name c ) 
	(resid 73 and name n )    			  52.69 19.60
  !!    g73
 assign (resid 72 and name c ) (resid 73 and name n ) 
        (resid 73 and name ca) (resid 73 and name c )
	(resid 74 and name n )    			  45.52 0.00
  !!    e74


E. 1H shift restraints
OBSE (resid 1 and (name HA)) 4.21 
OBSE (resid 2 and (name HA)) 4.54 
OBSE (resid 3 and (name HA)) 4.81 
OBSE (resid 4 and (name HA)) 4.34 
OBSE (resid 5 and (name HA)) 4.38 
OBSE (resid 6 and (name HA)) 4.39 
OBSE (resid 7 and (name HA)) 4.59 
OBSE (resid 8 and (name HA)) 4.99 
OBSE (resid 9 and (name HA)) 4.62 
OBSE (resid 10 and (name HA)) 4.82 
OBSE (resid 11 and (name HA)) 4.2 
OBSE (resid 12 and (name HA)) 4.23 
OBSE (resid 13 and (name HA)) 4.59 
OBSE (resid 14 and (name HA)) 3.86 
OBSE (resid 15 and (name HA)) 3.75 
OBSE (resid 16 and (name HA)) 4.28 
OBSE (resid 17 and (name HA1 or name HA2)) 3.89 
OBSE (resid 18 and (name HA)) 4.08 
OBSE (resid 19 and (name HA)) 4.27 
OBSE (resid 20 and (name HA)) 4.24 
OBSE (resid 21 and (name HA)) 4.49 
OBSE (resid 22 and (name HA)) 4.01 
OBSE (resid 23 and (name HA)) 4.9 
OBSE (resid 24 and (name HA)) 4.79 
OBSE (resid 25 and (name HA)) 4.13 
OBSE (resid 26 and (name HA)) 4.79 
OBSE (resid 27 and (name HA)) 4.28 
OBSE (resid 28 and (name HA)) 4.34 
OBSE (resid 29 and (name HA)) 4.21 
OBSE (resid 30 and (name HA)) 4.45 
OBSE (resid 31 and (name HA)) 4.03 
OBSE (resid 32 and (name HA)) 4.48 
OBSE (resid 33 and (name HA1 or name HA2)) 3.91 
OBSE (resid 34 and (name HA)) 5 
OBSE (resid 35 and (name HA)) 4.71 
OBSE (resid 36 and (name HA)) 4.49
OBSE (resid 37 and (name HA)) 4.33 
OBSE (resid 38 and (name HA)) 3.87 
OBSE (resid 39 and (name HA)) 4.36 
OBSE (resid 40 and (name HA)) 4.07 
OBSE (resid 41 and (name HA)) 4.56 
OBSE (resid 42 and (name HA)) 4.92 
OBSE (resid 43 and (name HA)) 4.53 
OBSE (resid 44 and (name HA)) 4.53 
OBSE (resid 45 and (name HA)) 4.57 
OBSE (resid 46 and (name HA)) 4.71 
OBSE (resid 47 and (name HA)) 5.05 
OBSE (resid 48 and (name HA)) 3.95
OBSE (resid 49 and (name HA)) 3.75 
OBSE (resid 50 and (name HA)) 2.56
OBSE (resid 51 and (name HA)) 3.73 
OBSE (resid 52 and (name HA)) 3.83 
OBSE (resid 53 and (name HA)) 3.42 
OBSE (resid 54 and (name HA)) 3.42 
OBSE (resid 55 and (name HA)) 3.63 
OBSE (resid 56 and (name HA)) 4.53 
OBSE (resid 57 and (name HA)) 4.23 
OBSE (resid 58 and (name HA)) 4.24 
OBSE (resid 59 and (name HA)) 3.96 
OBSE (resid 60 and (name HA)) 4.76 
OBSE (resid 61 and (name HA)) 4.86 
OBSE (resid 62 and (name HA)) 4.1 
OBSE (resid 63 and (name HA)) 3.61 
OBSE (resid 64 and (name HA)) 3.73 
OBSE (resid 65 and (name HA)) 1.99 
OBSE (resid 66 and (name HA)) 5.16 
OBSE (resid 67 and (name HA)) 4.48 
OBSE (resid 68 and (name HA)) 4.24 
OBSE (resid 69 and (name HA)) 4.08 
OBSE (resid 70 and (name HA)) 4.42 
OBSE (resid 71 and (name HA)) 4.44 
OBSE (resid 72 and (name HA)) 4.45 
OBSE (resid 73 and (name HA#)) 4.02 
OBSE (resid 74 and (name HA)) 4.21 

OBSE (resid 6 and (name HB#)) 1.47 
OBSE (resid 12 and (name HB#)) 1.56 
OBSE (resid 14 and (name HG1#)) 1.02 
OBSE (resid 14 and (name HG2#)) 1.08 
OBSE (resid 15 and (name HG2#)) 1.12 
OBSE (resid 15 and (name HD1#)) 0.98 
OBSE (resid 16 and (name HB#)) 1.63 
OBSE (resid 18 and (name HD1#)) 0.85 
OBSE (resid 18 and (name HD2#)) 0.82 
OBSE (resid 23 and (name HD1#)) 1.05 
OBSE (resid 23 and (name HD2#)) 1.05 
OBSE (resid 25 and (name HD1#)) 1.02 
OBSE (resid 25 and (name HD2#)) 0.85 
OBSE (resid 27 and (name HB#)) 1.63 
OBSE (resid 28 and (name HD1#)) 1.02 
OBSE (resid 28 and (name HD2#)) 1.02 
OBSE (resid 35 and (name HB#)) 1.6 
OBSE (resid 37 and (name HG2#)) 1.31 
OBSE (resid 38 and (name HG2#)) 1.01 
OBSE (resid 39 and (name HD1#)) 0.94 
OBSE (resid 39 and (name HD2#)) 0.92 
OBSE (resid 40 and (name HB#)) 1.57 
OBSE (resid 42 and (name HB#)) 1.47 
OBSE (resid 43 and (name HD1#)) 1.18 
OBSE (resid 43 and (name HD2#)) 1.24 
OBSE (resid 53 and (name HG2#)) 0.55 
OBSE (resid 53 and (name HD1#)) 0.49 
OBSE (resid 54 and (name HG2#)) 0.87 
OBSE (resid 54 and (name HD1#)) 0.91 
OBSE (resid 55 and (name HB#)) 1.18 
OBSE (resid 57 and (name HB#)) 1.56 
OBSE (resid 58 and (name HD1#)) 0.84 
OBSE (resid 58 and (name HD2#)) 0.92 
OBSE (resid 60 and (name HG2#)) 0.91 
OBSE (resid 64 and (name HG1#)) 0.98 
OBSE (resid 64 and (name HG2#)) 0.92 
OBSE (resid 65 and (name HG2#)) -1.36 
OBSE (resid 65 and (name HD1#)) -0.2 
OBSE (resid 72 and (name HB#)) 1.48 

OBSE (resid 1 and (name HB1 or name HB2)) 3.185 
OBSE (resid 2 and (name HB1 or name HB2)) 3.96 
OBSE (resid 3 and (name HB1 or name HB2)) 2.89 
OBSE (resid 4 and (name HB1 or name HB2)) 2.07 
OBSE (resid 4 and (name HG#)) 2.33 
OBSE (resid 5 and (name HB1 or name HB2)) 1.89 
OBSE (resid 5 and (name HG#)) 1.52 
OBSE (resid 5 and (name HD#)) 1.77 
OBSE (resid 5 and (name HE#)) 3.07 
OBSE (resid 7 and (name HB1)) 2 
OBSE (resid 7 and (name HB2)) 1.83 
OBSE (resid 7 and (name HG#)) 1.74 
OBSE (resid 7 and (name HD#)) 3.29 
OBSE (resid 8 and (name HB1)) 3.12 
OBSE (resid 8 and (name HB2)) 2.75 
OBSE (resid 9 and (name HB1)) 3.28 
OBSE (resid 9 and (name HB2)) 2.66 
OBSE (resid 9 and (name HD1)) 7.42 
OBSE (resid 9 and (name HE3)) 7.01 
OBSE (resid 9 and (name HZ2)) 7.36 
OBSE (resid 9 and (name HZ3)) 6.88 
OBSE (resid 9 and (name HH2)) 7.19 
OBSE (resid 10 and (name HB1 or name HB2)) 3.35 
OBSE (resid 10 and (name HE1)) 8.13 
OBSE (resid 10 and (name HD2)) 7.35 
OBSE (resid 11 and (name HB1 or name HB2)) 2.095 
OBSE (resid 11 and (name HG1 or name HG2)) 1.88 
OBSE (resid 11 and (name HD#)) 3.37 
OBSE (resid 13 and (name HA)) 4.59 
OBSE (resid 13 and (name HB1)) 2.45 
OBSE (resid 13 and (name HB2)) 3.13 
OBSE (resid 14 and (name HB)) 2.57 
OBSE (resid 15 and (name HB)) 2.05 
OBSE (resid 15 and (name HG11 or name HG12)) 1.66 
OBSE (resid 18 and (name HB1)) 1.27 
OBSE (resid 18 and (name HB2)) 2.16 
OBSE (resid 18 and (name HG)) 2.06 
OBSE (resid 19 and (name HB#)) 2.1 
OBSE (resid 19 and (name HG1 or name HG2)) 1.65 
OBSE (resid 19 and (name HD#)) 1.81 
OBSE (resid 19 and (name HE#)) 3.07 
OBSE (resid 20 and (name HB#)) 2.08 
OBSE (resid 20 and (name HG#)) 1.67 
OBSE (resid 20 and (name HD#)) 1.81 
OBSE (resid 20 and (name HE#)) 3.07 
OBSE (resid 21 and (name HB1)) 1.7 
OBSE (resid 21 and (name HB2)) 2.34 
OBSE (resid 21 and (name HG#)) 1.82 
OBSE (resid 21 and (name HD1 or name HD2)) 3.31 
OBSE (resid 22 and (name HB1 or name HB2)) 2.16 
OBSE (resid 22 and (name HG#)) 1.48 
OBSE (resid 22 and (name HD#)) 1.78 
OBSE (resid 22 and (name HE#)) 3.11 
OBSE (resid 23 and (name HB1)) 1.3 
OBSE (resid 23 and (name HB2)) 1.78 
OBSE (resid 23 and (name HG)) 1.78 
OBSE (resid 24 and (name HB1)) 4.03 
OBSE (resid 24 and (name HB2)) 4.36 
OBSE (resid 25 and (name HB1)) 1.75 
OBSE (resid 25 and (name HB2)) 1.96 
OBSE (resid 25 and (name HG)) 1.88 
OBSE (resid 26 and (name HB#)) 4 
OBSE (resid 28 and (name HB1 or name HB2)) 1.77 
OBSE (resid 28 and (name HG)) 1.87 
OBSE (resid 29 and (name HA)) 4.21 
OBSE (resid 29 and (name HB1)) 4.35 
OBSE (resid 29 and (name HB2)) 4.31 
OBSE (resid 30 and (name HA)) 4.45 
OBSE (resid 30 and (name HB#)) 2.04 
OBSE (resid 30 and (name HG1 or name HG2)) 1.9 
OBSE (resid 30 and (name HD#)) 3.36 
OBSE (resid 31 and (name HB1 or name HB2)) 2.25 
OBSE (resid 31 and (name HG1 or name HG2)) 2.18 
OBSE (resid 32 and (name HB1)) 3.58 
OBSE (resid 32 and (name HB2)) 2.84 
OBSE (resid 32 and (name HD1)) 7.66 
OBSE (resid 32 and (name HE1)) 7.39 
OBSE (resid 32 and (name HZ)) 7.35 
OBSE (resid 34 and (name HB1)) 3.44 
OBSE (resid 34 and (name HB2)) 3 
OBSE (resid 34 and (name HD1)) 7.28 
OBSE (resid 34 and (name HE1)) 6.9 
OBSE (resid 36 and (name HB1 or name HB2)) 2.32 
OBSE (resid 36 and (name HG1)) 2.18 
OBSE (resid 36 and (name HG2)) 2.35 
OBSE (resid 36 and (name HD1)) 3.96 
OBSE (resid 36 and (name HD2)) 3.99 
OBSE (resid 37 and (name HB)) 4.49 
OBSE (resid 38 and (name HB)) 4.11 
OBSE (resid 39 and (name HB1 or name HB2)) 1.715 
OBSE (resid 39 and (name HG)) 1.8 
OBSE (resid 41 and (name HB1 or name HB2)) 2.835 
OBSE (resid 43 and (name HB1 or name HB2)) 2.02 
OBSE (resid 43 and (name HG)) 2.03
OBSE (resid 44 and (name HB1 or name HB2)) 2.155 
OBSE (resid 44 and (name HG#)) 2.36 
OBSE (resid 45 and (name HB1 or name HB2)) 1.76 
OBSE (resid 45 and (name HG1 or name HG2)) 1.52 
OBSE (resid 45 and (name HD#)) 3.15 
OBSE (resid 46 and (name HB1 or name HB2)) 3.105 
OBSE (resid 46 and (name HE1)) 7.78 
OBSE (resid 46 and (name HD2)) 7.26 
OBSE (resid 47 and (name HB1 or name HB2)) 2.975 
OBSE (resid 47 and (name HD1)) 7.28 
OBSE (resid 47 and (name HE3)) 7.29 
OBSE (resid 47 and (name HZ2)) 7.3 
OBSE (resid 47 and (name HZ3)) 6.98 
OBSE (resid 47 and (name HH2)) 6.11 
OBSE (resid 48 and (name HB1 or name HB2)) 2.19 
OBSE (resid 48 and (name HG1)) 1.53 
OBSE (resid 48 and (name HG2)) 2.18 
OBSE (resid 48 and (name HD1)) 2.59 
OBSE (resid 48 and (name HD2)) 3.85 
OBSE (resid 49 and (name HB1)) 1.22 
OBSE (resid 49 and (name HB2)) 1.68 
OBSE (resid 49 and (name HG1 or name HG2)) 1.31 
OBSE (resid 49 and (name HD#)) 1.8 
OBSE (resid 49 and (name HE1 or name HE2)) 3.07 
OBSE (resid 51 and (name HB1)) 1.96 
OBSE (resid 51 and (name HB2)) 2.18 
OBSE (resid 51 and (name HG#)) 2.33 
OBSE (resid 52 and (name HB1 or name HB2)) 2.13 
OBSE (resid 52 and (name HG1 or name HG2)) 2.46 
OBSE (resid 53 and (name HB)) 1.61 
OBSE (resid 53 and (name HG11 or name HG12)) 0.82 
OBSE (resid 54 and (name HB)) 1.98 
OBSE (resid 54 and (name HG11 or name HG12)) 1.33 
OBSE (resid 56 and (name HA)) 4.53 
OBSE (resid 56 and (name HB1 or name HB2)) 2.94 
OBSE (resid 58 and (name HB1)) 1.63 
OBSE (resid 58 and (name HB2)) 1.75 
OBSE (resid 58 and (name HG)) 1.75 
OBSE (resid 59 and (name HB#)) 2.26 
OBSE (resid 59 and (name HG1 or name HG2)) 2.22 
OBSE (resid 60 and (name HB)) 3.92 
OBSE (resid 61 and (name HB1)) 1.38 
OBSE (resid 61 and (name HB2)) 2.14 
OBSE (resid 61 and (name HG1 or name HG2)) 1.45 
OBSE (resid 61 and (name HD#)) 1.69 
OBSE (resid 61 and (name HE#)) 2.98 
OBSE (resid 62 and (name HB1 or name HB2)) 2.165 
OBSE (resid 62 and (name HG1)) 1.83 
OBSE (resid 62 and (name HG2)) 2.12 
OBSE (resid 62 and (name HD1)) 3.75 
OBSE (resid 62 and (name HD2)) 3.81 
OBSE (resid 63 and (name HB1 or name HB2)) 1.695 
OBSE (resid 63 and (name HG1 or name HG2)) 1.93 
OBSE (resid 64 and (name HB)) 2.17 
OBSE (resid 65 and (name HB)) 0.34 
OBSE (resid 65 and (name HG11 or name HG12)) -0.45 
OBSE (resid 66 and (name HB1)) 2.95 
OBSE (resid 66 and (name HB2)) 3.25 
OBSE (resid 66 and (name HD1)) 7.13 
OBSE (resid 66 and (name HE3)) 7.79 
OBSE (resid 66 and (name HZ2)) 7.06 
OBSE (resid 66 and (name HZ3)) 6.91 
OBSE (resid 66 and (name HH2)) 6.82 
OBSE (resid 67 and (name HB1 or name HB2)) 2.205 
OBSE (resid 67 and (name HG1)) 1.95 
OBSE (resid 67 and (name HG2)) 2 
OBSE (resid 67 and (name HD1)) 3.19 
OBSE (resid 67 and (name HD2)) 3.85 
OBSE (resid 68 and (name HB1 or name HB2)) 4.05 
OBSE (resid 69 and (name HB1)) 0.85 
OBSE (resid 69 and (name HB2)) 1.77 
OBSE (resid 69 and (name HG1 or name HG2)) 1.58 
OBSE (resid 70 and (name HB1)) 2.5 
OBSE (resid 70 and (name HB2)) 3.41 
OBSE (resid 70 and (name HD1)) 7.38 
OBSE (resid 70 and (name HE1)) 6.79 
OBSE (resid 71 and (name HB1 or name HB2)) 2.135 
OBSE (resid 71 and (name HG#)) 2.46 
OBSE (resid 74 and (name HB1 or name HB2)) 2.04 
OBSE (resid 74 and (name HG#)) 2.26 



F. 1H, 13C and 15N assignments

# Assignment Table: ner.shifts
#    Path:	/spider3/strzel/4D13CNOESY/PEAKS
#    User:	strzel
#    Date:	Wed Mar  1 14:24:36 1995

SHIFT_FL_FRMT		RES_SIAD 
FIRST_RES_IN_SEQ	1

EXP_PEAK_PICK_TBL
	Label   Exp Par Fl            Peak-Pick Fl          #-Cross-Ref
	 A        .                     4dc13noe                 0

RES_ID		1
RES_TYPE	CYS
SPIN_SYSTEM_ID	1
HETEROGENEITY	100
   CA  67.9300
   HA  4.2100
   CB  37.8900
   HB1|HB2  3.1300
   HB1|HB2  3.2400
END_RES_DEF

RES_ID		2
RES_TYPE	SER
SPIN_SYSTEM_ID	2
HETEROGENEITY	100
   N  116.7100
   HN  8.5500
   CA  58.5000
   HA  4.5400
   CB  63.9600
   HB1|HB2  3.9400
   HB1|HB2  3.9800
END_RES_DEF

RES_ID		3
RES_TYPE	ASN
SPIN_SYSTEM_ID	3
HETEROGENEITY	100
   N  120.4200
   HN  8.5900
   CA  53.5500
   HA  4.8100
   CB  39.0200
   HB1|HB2  2.8600
   HB1|HB2  2.9200
   ND2  112.1600
   HD21  7.5000
   HD22  6.8000
END_RES_DEF

RES_ID		4
RES_TYPE	GLU
SPIN_SYSTEM_ID	4
HETEROGENEITY	100
   N  120.9400
   HN  8.3900
   CA  57.2200
   HA  4.3400
   CB  30.3900
   HB1|HB2  2.0200
   HB1|HB2  2.1200
   CG  36.4600
   HG#  2.3300
END_RES_DEF

RES_ID		5
RES_TYPE	LYS
SPIN_SYSTEM_ID	5
HETEROGENEITY	100
   N  121.2800
   HN  8.2100
   CA  56.3900
   HA  4.3800
   CB  33.1100
   HB1|HB2  1.8400
   HB1|HB2  1.9400
   CG  25.0000
   HG#  1.5200
   CD  29.3900
   HD#  1.7700
   CE  42.1000
   HE#  3.0700
END_RES_DEF

RES_ID		6
RES_TYPE	ALA
SPIN_SYSTEM_ID	6
HETEROGENEITY	100
   N  124.7600
   HN  8.1800
   CA  52.8200
   HA  4.3900
   CB  19.4300
   HB#  1.4700
END_RES_DEF

RES_ID		7
RES_TYPE	ARG
SPIN_SYSTEM_ID	7
HETEROGENEITY	100
   N  119.7700
   HN  8.2700
   CA  55.3200
   HA  4.5900
   CB  31.9400
   HB1  2.0000
   HB2  1.8300
   CG  27.2200
   HG#  1.7400
   CD  43.6700
   HD#  3.2900
END_RES_DEF

RES_ID		8
RES_TYPE	ASP
SPIN_SYSTEM_ID	8
HETEROGENEITY	100
   N  122.8800
   HN  8.2300
   CA  54.4200
   HA  4.9900
   CB  40.9500
   HB1  3.1200
   HB2  2.7500
END_RES_DEF

RES_ID		9
RES_TYPE	TRP
SPIN_SYSTEM_ID	9
HETEROGENEITY	100
   N  122.7200
   HN  9.3100
   CA  57.5500
   HA  4.6200
   CB  29.4300
   HB1  3.2800
   HB2  2.6600
   CD1  125.4400
   HD1  7.4200
   NE1  128.4300
   HE1  9.6000
   CE3  119.5400
   HE3  7.0100
   CZ2  114.7600
   HZ2  7.3600
   CZ3  121.4800
   HZ3  6.8800
   CH2  124.4000
   HH2  7.1900
END_RES_DEF

RES_ID		10
RES_TYPE	HIS
SPIN_SYSTEM_ID	10
HETEROGENEITY	100
   N  120.9300
   HN  9.0500
   CA  56.1000
   HA  4.8200
   CB  30.7400
   HB1|HB2  3.2400
   HB1|HB2  3.4600
   CE1  137.8300
   HE1  8.1300
   CD2  119.3200
   HD2  7.3500
END_RES_DEF

RES_ID		11
RES_TYPE	ARG
SPIN_SYSTEM_ID	11
HETEROGENEITY	100
   N  126.8000
   HN  9.3200
   CA  60.9500
   HA  4.2000
   CB  30.3200
   HB1|HB2  2.0300
   HB1|HB2  2.1600
   CG  27.5000
   HG1  1.8500
   HG2  1.9100
   CD  43.6600
   HD#  3.3700
END_RES_DEF

RES_ID		12
RES_TYPE	ALA
SPIN_SYSTEM_ID	12
HETEROGENEITY	100
   N  119.4300
   HN  9.7000
   CA  55.3400
   HA  4.2300
   CB  18.8400
   HB#  1.5600
END_RES_DEF

RES_ID		13
RES_TYPE	ASP
SPIN_SYSTEM_ID	13
HETEROGENEITY	100
   N  117.3200
   HN  7.7200
   CA  57.2700
   HA  4.5900
   CB  41.2400
   HB1  2.4500
   HB2  3.1300
END_RES_DEF

RES_ID		14
RES_TYPE	VAL
SPIN_SYSTEM_ID	14
HETEROGENEITY	100
   N  122.7700
   HN  7.8400
   CA  67.2300
   HA  3.8600
   CB  32.0200
   HB  2.5700
   CG1  22.0100
   HG1#  1.0200
   CG2  22.9200
   HG2#  1.0800
END_RES_DEF

RES_ID		15
RES_TYPE	ILE
SPIN_SYSTEM_ID	15
HETEROGENEITY	100
   N  118.1900
   HN  8.0900
   CA  65.1600
   HA  3.7500
   CB  37.8500
   HB  2.0500
   CG1  28.9700
   HG11  1.5300
   HG12  1.7900
   CG2  17.4900
   HG2#  1.1200
   CD1  12.3200
   HD1#  0.9800
END_RES_DEF

RES_ID		16
RES_TYPE	ALA
SPIN_SYSTEM_ID	16
HETEROGENEITY	100
   N  121.8400
   HN  8.4700
   CA  55.4800
   HA  4.2800
   CB  18.5200
   HB#  1.6300
END_RES_DEF

RES_ID		17
RES_TYPE        GLY	
SPIN_SYSTEM_ID	17
HETEROGENEITY	100
   N  106.6400
   HN  8.1300
   CA  47.5500
   HA1  3.8400
   HA2  3.9400
END_RES_DEF

RES_ID		18
RES_TYPE	LEU
SPIN_SYSTEM_ID	18
HETEROGENEITY	100
   N  122.5500
   HN  8.1500
   CA  58.1800
   HA  4.0800
   CB  41.1900
   HB1  1.2700
   HB2  2.1600
   CG  26.6000
   HG  2.0600
   CD1  27.1500
   HD1#  0.8500
   CD2  23.7500
   HD2#  0.8200
END_RES_DEF

RES_ID		19
RES_TYPE	LYS
SPIN_SYSTEM_ID	19
HETEROGENEITY	100
   N  121.4900
   HN  8.4700
   CA  60.1900
   HA  4.2700
   CB  32.4500
   HB#  2.1000
   CG  25.4900
   HG1  1.5900
   HG2  1.7200
   CD  29.3700
   HD#  1.8100
   CE  42.4600
   HE#  3.0700
END_RES_DEF

RES_ID		20
RES_TYPE	LYS
SPIN_SYSTEM_ID	20
HETEROGENEITY	100
   N  120.2800
   HN  8.0600
   CA  59.3100
   HA  4.2400
   CB  32.6500
   HB#  2.0800
   CG  25.3600
   HG#  1.6700
   CD  29.3700
   HD#  1.8100
   CE  42.4600
   HE#  3.0700
END_RES_DEF

RES_ID		21
RES_TYPE	ARG
SPIN_SYSTEM_ID	21
HETEROGENEITY	100
   N  117.3000
   HN  7.2300
   CA  55.6600
   HA  4.4900
   CB  30.2600
   HB1  1.7000
   HB2  2.3400
   CG  28.4000
   HG#  1.8200
   CD  43.7800
   HD1  3.2000
   HD2  3.4300
END_RES_DEF

RES_ID		22
RES_TYPE	LYS
SPIN_SYSTEM_ID	22
HETEROGENEITY	100
   N  113.8300
   HN  8.1000
   CA  57.4600
   HA  4.0100
   CB  28.7200
   HB1|HB2  2.0900
   HB1|HB2  2.2300
   CG  25.4400
   HG#  1.4800
   CD  29.2600
   HD#  1.7800
   CE  40.4200
   HE#  3.1100
END_RES_DEF

RES_ID		23
RES_TYPE	LEU
SPIN_SYSTEM_ID	23
HETEROGENEITY	100
   N  118.0400
   HN  8.0800
   CA  53.1500
   HA  4.9000
   CB  47.2900
   HB1  1.3000
   HB2  1.7800
   CG  26.5100
   HG  1.7800
   CD1  26.9400
   HD1#  1.0500
   CD2  23.2400
   HD2#  1.0500
END_RES_DEF

RES_ID		24
RES_TYPE	SER
SPIN_SYSTEM_ID	24
HETEROGENEITY	100
   N  111.1300
   HN  7.3400
   CA  56.1500
   HA  4.7900
   CB  66.1700
   HB1  4.0300
   HB2  4.3600
END_RES_DEF

RES_ID		25
RES_TYPE	LEU
SPIN_SYSTEM_ID	25
HETEROGENEITY	100
   N  124.1000
   HN  9.5500
   CA  58.8900
   HA  4.1300
   CB  41.6600
   HB1  1.7500
   HB2  1.9600
   CG  27.3000
   HG  1.8800
   CD1  25.8000
   HD1#  1.0200
   CD2  24.4100
   HD2#  0.8500
END_RES_DEF

RES_ID		26
RES_TYPE	SER
SPIN_SYSTEM_ID	26
HETEROGENEITY	100
   CA  61.1000
   HA  4.7900
   CB  62.7500
   HB#  4.0000
END_RES_DEF

RES_ID		27
RES_TYPE	ALA
SPIN_SYSTEM_ID	27
HETEROGENEITY	100
   N  125.2200
   HN  7.9000
   CA  55.4200
   HA  4.2800
   CB  18.8500
   HB#  1.6300
END_RES_DEF

RES_ID		28
RES_TYPE	LEU
SPIN_SYSTEM_ID	28
HETEROGENEITY	100
   N  119.1000
   HN  8.1800
   CA  57.7700
   HA  4.3400
   CB  43.3300
   HB1|HB2  1.6600
   HB1|HB2  1.8800
   CG  27.3000
   HG  1.8700
   CD1  25.6400
   HD1#  1.0200
   CD2  24.8800
   HD2#  1.0200
END_RES_DEF

RES_ID		29
RES_TYPE	SER
SPIN_SYSTEM_ID	29
HETEROGENEITY	100
   N  114.2700
   HN  8.4100
   CA  63.4000
   HA  4.2100
   CB  64.2100
   HB1  4.3500
   HB2  4.3100
END_RES_DEF

RES_ID		30
RES_TYPE	ARG
SPIN_SYSTEM_ID	30
HETEROGENEITY	100
   N  118.5200
   HN  7.8700
   CA  59.1700
   HA  4.4500
   CB  30.5300
   HB#  2.0400
   CG  27.8000
   HG1  1.8000
   HG2  1.9900
   CD  43.6400
   HD#  3.3600
END_RES_DEF

RES_ID		31
RES_TYPE	GLN
SPIN_SYSTEM_ID	31
HETEROGENEITY	100
   N  120.6700
   HN  8.2000
   CA  58.8500
   HA  4.0300
   CB  28.5000
   HB1|HB2  2.1600
   HB1|HB2  2.3400
   CG  33.6400
   HG1  2.0200
   HG2  2.3400
   NE2  109.2000
   HE21  7.0000
   HE22  6.5500
END_RES_DEF

RES_ID		32
RES_TYPE	PHE
SPIN_SYSTEM_ID	32
HETEROGENEITY	100
   N  114.6400
   HN  7.5800
   CA  59.1000
   HA  4.4800
   CB  39.8500
   HB1  3.5800
   HB2  2.8400
   CD1  132.0200
   HD1  7.6600
   CE1  131.7400
   HE1  7.3900
   CZ  130.0200
   HZ  7.3500
END_RES_DEF

RES_ID		33
RES_TYPE        GLY	
SPIN_SYSTEM_ID	33
HETEROGENEITY	100
   N  106.4700
   HN  7.8300
   CA  46.2000
   HA1  3.8100
   HA2  4.0200
END_RES_DEF

RES_ID		34
RES_TYPE	TYR
SPIN_SYSTEM_ID	34
HETEROGENEITY	100
   N  118.5300
   HN  8.0800
   CA  56.2800
   HA  5.0000
   CB  40.7300
   HB1  3.4400
   HB2  3.0000
   CD1  132.7600
   HD1  7.2800
   CE1  118.2600
   HE1  6.9000
END_RES_DEF

RES_ID		35
RES_TYPE	ALA
SPIN_SYSTEM_ID	35
HETEROGENEITY	100
   N  122.9000
   HN  8.4000
   CA  51.4400
   HA  4.7100
   CB  17.1200
   HB#  1.6000
END_RES_DEF

RES_ID		36
RES_TYPE	PRO
SPIN_SYSTEM_ID	36
HETEROGENEITY	100
   CA  66.1500
   HA  4.4900
   CB  32.5300
   HB1|HB2  2.2100
   HB1|HB2  2.4300
   CG  28.2600
   HG1  2.1800
   HG2  2.3500
   CD  50.4600
   HD1  3.9600
   HD2  3.9900
END_RES_DEF

RES_ID		37
RES_TYPE	THR
SPIN_SYSTEM_ID	37
HETEROGENEITY	100
   N  103.1000
   HN  7.3300
   CA  62.6100
   HA  4.3300
   CB  69.3400
   HB  4.4900
   CG2  22.3400
   HG2#  1.3100
END_RES_DEF

RES_ID		38
RES_TYPE	THR
SPIN_SYSTEM_ID	38
HETEROGENEITY	100
   N  118.1200
   HN  7.7200
   CA  67.0400
   HA  3.8700
   CB  68.9300
   HB  4.1100
   CG2  22.5000
   HG2#  1.0100
END_RES_DEF

RES_ID		39
RES_TYPE	LEU
SPIN_SYSTEM_ID	39
HETEROGENEITY	100
   N  120.1600
   HN  7.7800
   CA  58.2700
   HA  4.3600
   CB  41.9700
   HB1|HB2  1.6600
   HB1|HB2  1.7700
   CG  27.7100
   HG  1.8000
   CD1  25.9300
   HD1#  0.9400
   CD2  26.1400
   HD2#  0.9200
END_RES_DEF

RES_ID		40
RES_TYPE	ALA
SPIN_SYSTEM_ID	40
HETEROGENEITY	100
   N  118.5300
   HN  8.2700
   CA  54.9500
   HA  4.0700
   CB  17.9000
   HB#  1.5700
END_RES_DEF

RES_ID		41
RES_TYPE	ASN
SPIN_SYSTEM_ID	41
HETEROGENEITY	100
   N  118.0200
   HN  8.2200
   CA  56.7000
   HA  4.5600
   CB  38.7500
   HB1|HB2  2.6800
   HB1|HB2  2.9900
   ND2  111.7400
   HD21  7.2600
   HD22  6.9200
END_RES_DEF

RES_ID		42
RES_TYPE	ALA
SPIN_SYSTEM_ID	42
HETEROGENEITY	100
   N  118.6400
   HN  8.1900
   CA  53.4000
   HA  4.9200
   CB  18.2700
   HB#  1.4700
END_RES_DEF

RES_ID		43
RES_TYPE	LEU
SPIN_SYSTEM_ID	43
HETEROGENEITY	100
   N  113.9100
   HN  7.8200
   CA  56.7700
   HA  4.5300
   CB  40.8600
   HB1|HB2  1.8000
   HB1|HB2  2.2400
   CG  27.9800
   HG  2.0300
   CD1  25.8800
   HD1#  1.1800
   CD2  23.6300
   HD2#  1.2400
END_RES_DEF

RES_ID		44
RES_TYPE	GLU
SPIN_SYSTEM_ID	44
HETEROGENEITY	100
   N  115.6800
   HN  7.4100
   CA  56.7100
   HA  4.5300
   CB  32.2900
   HB1|HB2  2.0800
   HB1|HB2  2.2300
   CG  35.9900
   HG#  2.3600
END_RES_DEF

RES_ID		45
RES_TYPE	ARG
SPIN_SYSTEM_ID	45
HETEROGENEITY	100
   N  118.2000
   HN  8.1000
   CA  54.2400
   HA  4.5700
   CB  32.9400
   HB1|HB2  1.7100
   HB1|HB2  1.8100
   CG  26.3400
   HG1  1.4400
   HG2  1.6100
   CD  43.5500
   HD#  3.1500
END_RES_DEF

RES_ID		46
RES_TYPE	HIS
SPIN_SYSTEM_ID	46
HETEROGENEITY	100
   N  116.0100
   HN  8.3900
   CA  54.4400
   HA  4.7100
   CB  28.5700
   HB1|HB2  2.8700
   HB1|HB2  3.3400
   CE1  136.9900
   HE1  7.7800
   CD2  123.7400
   HD2  7.2600
END_RES_DEF

RES_ID		47
RES_TYPE	TRP
SPIN_SYSTEM_ID	47
HETEROGENEITY	100
   N  127.3700
   HN  7.6900
   CA  53.0900
   HA  5.0500
   CB  28.5400
   HB1|HB2  2.9400
   HB1|HB2  3.0100
   CD1  124.2800
   HD1  7.2800
   NE1  128.7600
   HE1  10.0600
   CE3  119.1000
   HE3  7.2900
   CZ2  115.3400
   HZ2  7.3000
   CZ3  121.9700
   HZ3  6.9800
   CH2  124.4700
   HH2  6.1100
END_RES_DEF

RES_ID		48
RES_TYPE	PRO
SPIN_SYSTEM_ID	48
HETEROGENEITY	100
   CA  66.6700
   HA  3.9500
   CB  31.7000
   HB1|HB2  1.9900
   HB1|HB2  2.3900
   CG  27.7200
   HG1  1.5300
   HG2  2.1800
   CD  50.0000
   HD1  2.5900
   HD2  3.8500
END_RES_DEF

RES_ID		49
RES_TYPE	LYS
SPIN_SYSTEM_ID	49
HETEROGENEITY	100
   N  115.3200
   HN  7.6700
   CA  59.0600
   HA  3.7500
   CB  31.6600
   HB1  1.2200
   HB2  1.6800
   CG  24.5900
   HG1  1.2500
   HG2  1.3700
   CD  28.9000
   HD#  1.8000
   CE  42.0900
   HE1  3.0500
   HE2  3.1000
END_RES_DEF

RES_ID		50
RES_TYPE	GLY
SPIN_SYSTEM_ID	50
HETEROGENEITY	100
   CA  46.7800
   HA1  2.3100
   HA2  2.8200
END_RES_DEF

RES_ID		51
RES_TYPE	GLU
SPIN_SYSTEM_ID	51
HETEROGENEITY	100
   N  118.8300
   HN  7.7200
   CA  58.5100
   HA  3.7300
   CB  29.6200
   HB1  1.9600
   HB2  2.1800
   CG  34.5000
   HG#  2.3300
END_RES_DEF

RES_ID		52
RES_TYPE	GLN
SPIN_SYSTEM_ID	52
HETEROGENEITY	100
   N  117.6600
   HN  8.1000
   CA  59.3700
   HA  3.8300
   CB  28.2600
   HB1|HB2  2.0900
   HB1|HB2  2.1700
   CG  33.9500
   HG1  2.4100
   HG2  2.5200
   NE2  110.6800
   HE21  7.4300
   HE22  6.7500
END_RES_DEF

RES_ID		53
RES_TYPE	ILE
SPIN_SYSTEM_ID	53
HETEROGENEITY	100
   N  119.5500
   HN  7.4400
   CA  65.4700
   HA  3.4200
   CB  38.3900
   HB  1.6100
   CG1  28.7600
   HG11  0.1300
   HG12  1.5100
   CG2  17.9100
   HG2#  0.5500
   CD1  14.8300
   HD1#  0.4900
END_RES_DEF

RES_ID		54
RES_TYPE	ILE
SPIN_SYSTEM_ID	54
HETEROGENEITY	100
   N  119.1400
   HN  7.7200
   CA  66.1200
   HA  3.4200
   CB  38.8300
   HB  1.9800
   CG1  30.1900
   HG11  0.7500
   HG12  1.9100
   CG2  18.0500
   HG2#  0.8700
   CD1  14.1300
   HD1#  0.9100
END_RES_DEF

RES_ID		55
RES_TYPE	ALA
SPIN_SYSTEM_ID	55
HETEROGENEITY	100
   N  119.3900
   HN  8.8000
   CA  55.4500
   HA  3.6300
   CB  18.0400
   HB#  1.1800
END_RES_DEF

RES_ID		56
RES_TYPE	ASN
SPIN_SYSTEM_ID	56
HETEROGENEITY	100
   N  115.3100
   HN  8.5100
   CA  56.2900
   HA  4.5300
   CB  38.2900
   HB1|HB2  2.8500
   HB1|HB2  3.0300
   ND2  111.7400
   HD21  7.7400
   HD22  6.9200
END_RES_DEF

RES_ID		57
RES_TYPE	ALA
SPIN_SYSTEM_ID	57
HETEROGENEITY	100
   N  123.9400
   HN  7.6300
   CA  54.8600
   HA  4.2300
   CB  18.8700
   HB#  1.5600
END_RES_DEF

RES_ID		58
RES_TYPE	LEU
SPIN_SYSTEM_ID	58
HETEROGENEITY	100
   N  114.7100
   HN  7.2800
   CA  54.1300
   HA  4.2400
   CB  42.4900
   HB1  1.6300
   HB2  1.7500
   CG  26.7900
   HG  1.7500
   CD1  26.8000
   HD1#  0.8400
   CD2  23.2500
   HD2#  0.9200
END_RES_DEF

RES_ID		59
RES_TYPE	GLU
SPIN_SYSTEM_ID	59
HETEROGENEITY	100
   N  114.8500
   HN  7.8500
   CA  57.1300
   HA  3.9600
   CB  27.4800
   HB#  2.2600
   CG  37.6500
   HG1  2.1900
   HG2  2.2600
END_RES_DEF

RES_ID		60
RES_TYPE	THR
SPIN_SYSTEM_ID	60
HETEROGENEITY	100
   N  114.2200
   HN  8.1800
   CA  59.2100
   HA  4.7600
   CB  69.5800
   HB  3.9200
   CG2  19.1900
   HG2#  0.9100
END_RES_DEF

RES_ID		61
RES_TYPE	LYS
SPIN_SYSTEM_ID	61
HETEROGENEITY	100
   N  120.6500
   HN  8.3000
   CA  53.0400
   HA  4.8600
   CB  33.8300
   HB1  1.3800
   HB2  2.1400
   CG  24.8000
   HG1  1.4200
   HG2  1.4700
   CD  28.8300
   HD#  1.6900
   CE  41.9700
   HE#  2.9800
END_RES_DEF

RES_ID		62
RES_TYPE	PRO
SPIN_SYSTEM_ID	62
HETEROGENEITY	100
   CA  66.1600
   HA  4.1000
   CB  32.5300
   HB1|HB2  1.8900
   HB1|HB2  2.4400
   CG  27.9200
   HG1  1.8300
   HG2  2.1200
   CD  50.3400
   HD1  3.7500
   HD2  3.8100
END_RES_DEF

RES_ID		63
RES_TYPE	GLU
SPIN_SYSTEM_ID	63
HETEROGENEITY	100
   N  114.7300
   HN  9.6400
   CA  58.5600
   HA  3.6100
   CB  27.8400
   HB1|HB2  1.5700
   HB1|HB2  1.8200
   CG  35.7200
   HG1  1.9000
   HG2  1.9700
END_RES_DEF

RES_ID		64
RES_TYPE	VAL
SPIN_SYSTEM_ID	64
HETEROGENEITY	100
   N  119.1600
   HN  7.1800
   CA  64.5700
   HA  3.7300
   CB  31.8500
   HB  2.1700
   CG1  21.4900
   HG1#  0.9800
   CG2  22.8900
   HG2#  0.9200
END_RES_DEF

RES_ID		65
RES_TYPE	ILE
SPIN_SYSTEM_ID	65
HETEROGENEITY	100
   N  118.8500
   HN  6.1100
   CA  63.2600
   HA  1.9900
   CB  37.8800
   HB  0.3400
   CG1  26.4100
   HG11  -1.4700
   HG12  0.5700
   CG2  14.7500
   HG2#  -1.3600
   CD1  13.7200
   HD1#  -0.2000
END_RES_DEF

RES_ID		66
RES_TYPE	TRP
SPIN_SYSTEM_ID	66
HETEROGENEITY	100
   N  112.8700
   HN  7.9800
   CA  55.6000
   HA  5.1600
   CB  28.6400
   HB1  2.9500
   HB2  3.2500
   CD1  126.9200
   HD1  7.1300
   NE1  130.7300
   HE1  10.5500
   CE3  121.3300
   HE3  7.7900
   CZ2  113.0900
   HZ2  7.0600
   CZ3  120.2500
   HZ3  6.9100
   CH2  122.1500
   HH2  6.8200
END_RES_DEF

RES_ID		67
RES_TYPE	PRO
SPIN_SYSTEM_ID	67
HETEROGENEITY	100
   CA  66.3100
   HA  4.4800
   CB  31.1500
   HB1|HB2  1.9300
   HB1|HB2  2.4800
   CG  27.4100
   HG1  1.9500
   HG2  2.0000
   CD  50.5000
   HD1  3.1900
   HD2  3.8500
END_RES_DEF

RES_ID		68
RES_TYPE	SER
SPIN_SYSTEM_ID	68
HETEROGENEITY	100
   N  114.4900
   HN  9.7000
   CA  57.6200
   HA  4.2400
   CB  61.6000
   HB1|HB2  3.9600
   HB1|HB2  4.1400
END_RES_DEF

RES_ID		69
RES_TYPE	ARG
SPIN_SYSTEM_ID	69
HETEROGENEITY	100
   N  120.3000
   HN  7.9900
   CA  56.6600
   HA  4.0800
   CB  30.6300
   HB1  0.8500
   HB2  1.7700
   CG  27.2500
   HG1  1.5400
   HG2  1.6300
   CD  45.2100
END_RES_DEF

RES_ID		70
RES_TYPE	TYR
SPIN_SYSTEM_ID	70
HETEROGENEITY	100
   N  117.5300
   HN  7.4900
   CA  58.4900
   HA  4.4200
   CB  40.4200
   HB1  2.5000
   HB2  3.4100
   CD1  133.8300
   HD1  7.3800
   CE1  118.7700
   HE1  6.7900
END_RES_DEF

RES_ID		71
RES_TYPE	GLN
SPIN_SYSTEM_ID	71
HETEROGENEITY	100
   N  119.6000
   HN  7.8700
   CA  56.0900
   HA  4.4400
   CB  29.6100
   HB1|HB2  2.0800
   HB1|HB2  2.1900
   CG  33.9700
   HG#  2.4600
   NE2  111.5800
   HE21  7.5200
   HE22  6.8100
END_RES_DEF

RES_ID		72
RES_TYPE	ALA
SPIN_SYSTEM_ID	72
HETEROGENEITY	100
   N  125.0100
   HN  8.3800
   CA  52.6900
   HA  4.4500
   CB  19.6000
   HB#  1.4800
END_RES_DEF

RES_ID		73
RES_TYPE	GLY
SPIN_SYSTEM_ID	73
HETEROGENEITY	100
   N  108.5600
   HN  8.3000
   CA  45.5200
   HA#  4.0200
END_RES_DEF

RES_ID		74
RES_TYPE	GLU
SPIN_SYSTEM_ID	74
HETEROGENEITY	100
   N  125.2800
   HN  7.8600
   CA  58.0900
   HA  4.2100
   CB  31.4000
   HB1|HB2  1.9500
   HB1|HB2  2.1300
   CG  36.8600
   HG#  2.2600
END_RES_DEF


  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had  612 H/Q atoms
  Start of MODEL    1
    1   1H    CYS   1           HT3      CYS   1  14.393  14.077   4.900
    2   2H    CYS   1           HT2      CYS   1  13.445  15.463   4.643
    3   3H    CYS   1           HT1      CYS   1  15.098  15.616   5.002
    4    HA   CYS   1           HA       CYS   1  14.831  15.149   7.211
    5   1HB   CYS   1           HB2      CYS   1  13.624  17.239   6.627
    6   2HB   CYS   1           HB1      CYS   1  12.145  16.305   6.398
    7    HG   CYS   1           HG       CYS   1  12.763  17.376   8.972
    8    H    SER   2           HN       SER   2  14.676  12.682   6.652
    9    HA   SER   2           HA       SER   2  13.655  10.610   7.041
   10   1HB   SER   2           HB2      SER   2  12.353  12.378   9.119
   11   2HB   SER   2           HB1      SER   2  12.024  10.651   9.022
   12    HG   SER   2           HG       SER   2  14.613  11.806   9.214
   13    H    ASN   3           HN       ASN   3  10.707  12.229   8.005
   14    HA   ASN   3           HA       ASN   3   8.569  12.196   7.058
   15   1HB   ASN   3           HB2      ASN   3   9.833  13.627   5.389
   16   2HB   ASN   3           HB1      ASN   3  10.016  12.177   4.404
   17   1HD2  ASN   3          HD22      ASN   3   6.882  13.924   3.325
   18   2HD2  ASN   3          HD21      ASN   3   8.525  14.348   3.376
   19    H    GLU   4           HN       GLU   4   9.079  10.719   4.068
   20    HA   GLU   4           HA       GLU   4   9.125   7.953   4.957
   21   1HB   GLU   4           HB2      GLU   4   6.884   8.430   5.696
   22   2HB   GLU   4           HB1      GLU   4   6.489   9.211   4.164
   23   1HG   GLU   4           HG2      GLU   4   6.439   7.180   2.986
   24   2HG   GLU   4           HG1      GLU   4   7.399   6.336   4.203
   25    H    LYS   5           HN       LYS   5   9.322  10.312   2.556
   26    HA   LYS   5           HA       LYS   5   8.803   8.561   0.272
   27   1HB   LYS   5           HB2      LYS   5  10.260  10.599  -0.826
   28   2HB   LYS   5           HB1      LYS   5   8.538  10.708  -0.509
   29   1HG   LYS   5           HG2      LYS   5   9.720  12.681   0.360
   30   2HG   LYS   5           HG1      LYS   5   8.968  11.771   1.659
   31   1HD   LYS   5           HD2      LYS   5  11.175  12.376   2.400
   32   2HD   LYS   5           HD1      LYS   5  11.224  10.658   2.053
   33   1HE   LYS   5           HE2      LYS   5  12.378  11.008  -0.009
   34   2HE   LYS   5           HE1      LYS   5  12.032  12.739   0.013
   35   1HZ   LYS   5           HZ2      LYS   5  13.525  11.525   2.236
   36   2HZ   LYS   5           HZ1      LYS   5  14.333  11.868   0.781
   37   3HZ   LYS   5           HZ3      LYS   5  13.580  13.118   1.644
   38    H    ALA   6           HN       ALA   6  10.725   7.644   2.309
   39    HA   ALA   6           HA       ALA   6  13.416   7.871   1.462
   40   1HB   ALA   6           HB2      ALA   6  12.005   5.529   2.768
   41   2HB   ALA   6           HB1      ALA   6  13.755   5.714   2.655
   42   3HB   ALA   6           HB3      ALA   6  12.804   6.859   3.603
   43    H    ARG   7           HN       ARG   7  12.502   4.581   1.230
   44    HA   ARG   7           HA       ARG   7  13.134   4.608  -1.699
   45   1HB   ARG   7           HB2      ARG   7  13.033   2.117  -0.001
   46   2HB   ARG   7           HB1      ARG   7  13.961   2.417  -1.462
   47   1HG   ARG   7           HG2      ARG   7  14.519   3.891   1.127
   48   2HG   ARG   7           HG1      ARG   7  15.261   2.346   0.745
   49   1HD   ARG   7           HD2      ARG   7  16.795   4.052   0.041
   50   2HD   ARG   7           HD1      ARG   7  16.082   3.371  -1.419
   51    HE   ARG   7           HE       ARG   7  14.441   5.514  -0.869
   52   1HH1  ARG   7          HH21      ARG   7  17.841   5.019  -1.105
   53   2HH1  ARG   7          HH22      ARG   7  18.164   6.599  -1.736
   54   1HH2  ARG   7          HH11      ARG   7  14.840   7.583  -1.699
   55   2HH2  ARG   7          HH12      ARG   7  16.464   8.051  -2.073
   56    H    ASP   8           HN       ASP   8  10.624   4.040   0.580
   57    HA   ASP   8           HA       ASP   8   9.085   2.126  -0.913
   58   1HB   ASP   8           HB2      ASP   8   8.079   4.203   1.059
   59   2HB   ASP   8           HB1      ASP   8   7.261   2.708   0.591
   60    H    TRP   9           HN       TRP   9   6.896   2.643  -1.776
   61    HA   TRP   9           HA       TRP   9   7.048   4.580  -3.917
   62   1HB   TRP   9           HB2      TRP   9   4.788   2.899  -2.769
   63   2HB   TRP   9           HB1      TRP   9   4.596   3.934  -4.178
   64    HD1  TRP   9           HD1      TRP   9   7.563   1.573  -3.316
   65    HE1  TRP   9           HE1      TRP   9   7.885  -0.055  -5.277
   66    HE3  TRP   9           HE3      TRP   9   3.589   2.922  -6.233
   67    HZ2  TRP   9           HZ2      TRP   9   6.595  -0.751  -7.745
   68    HZ3  TRP   9           HZ3      TRP   9   3.139   1.741  -8.374
   69    HH2  TRP   9           HH2      TRP   9   4.639  -0.088  -9.131
   70    H    HIS  10           HN       HIS  10   6.861   6.758  -3.495
   71    HA   HIS  10           HA       HIS  10   6.117   8.066  -1.195
   72   1HB   HIS  10           HB2      HIS  10   5.317   8.993  -3.969
   73   2HB   HIS  10           HB1      HIS  10   5.559  10.012  -2.549
   74    HD1  HIS  10           HD1      HIS  10   8.177   8.590  -1.524
   75    HD2  HIS  10           HD2      HIS  10   7.544   9.894  -5.432
   76    HE1  HIS  10           HE1      HIS  10  10.468   8.923  -2.547
   77    H    ARG  11           HN       ARG  11   4.094   9.246  -0.613
   78    HA   ARG  11           HA       ARG  11   1.873   7.521  -0.349
   79   1HB   ARG  11           HB2      ARG  11   0.598   9.687   0.141
   80   2HB   ARG  11           HB1      ARG  11   2.022   9.385   1.138
   81   1HG   ARG  11           HG2      ARG  11   3.363  10.884  -0.225
   82   2HG   ARG  11           HG1      ARG  11   2.037  11.088  -1.370
   83   1HD   ARG  11           HD2      ARG  11   0.651  12.019   0.521
   84   2HD   ARG  11           HD1      ARG  11   2.105  11.997   1.519
   85    HE   ARG  11           HE       ARG  11   2.897  13.405  -0.719
   86   1HH1  ARG  11          HH21      ARG  11   0.263  13.576   1.505
   87   2HH1  ARG  11          HH22      ARG  11   0.094  15.295   1.378
   88   1HH2  ARG  11          HH11      ARG  11   2.693  15.650  -0.891
   89   2HH2  ARG  11          HH12      ARG  11   1.475  16.470   0.027
   90    H    ALA  12           HN       ALA  12   2.695   9.827  -2.872
   91    HA   ALA  12           HA       ALA  12   0.090   9.501  -4.210
   92   1HB   ALA  12           HB1      ALA  12   2.614  10.970  -5.022
   93   2HB   ALA  12           HB3      ALA  12   1.108  10.982  -5.938
   94   3HB   ALA  12           HB2      ALA  12   1.161  11.684  -4.321
   95    H    ASP  13           HN       ASP  13   3.331   8.168  -4.380
   96    HA   ASP  13           HA       ASP  13   3.086   7.069  -7.040
   97   1HB   ASP  13           HB2      ASP  13   4.774   6.221  -4.680
   98   2HB   ASP  13           HB1      ASP  13   4.925   5.531  -6.295
   99    H    VAL  14           HN       VAL  14   1.886   6.216  -3.930
  100    HA   VAL  14           HA       VAL  14   1.282   3.440  -4.607
  101    HB   VAL  14           HB       VAL  14   0.393   5.260  -2.349
  102   1HG1  VAL  14          HG11      VAL  14  -0.243   2.366  -2.939
  103   2HG1  VAL  14          HG13      VAL  14  -0.345   3.039  -1.311
  104   3HG1  VAL  14          HG12      VAL  14  -1.369   3.681  -2.594
  105   1HG2  VAL  14          HG23      VAL  14   2.370   2.969  -2.547
  106   2HG2  VAL  14          HG22      VAL  14   2.739   4.664  -2.230
  107   3HG2  VAL  14          HG21      VAL  14   1.873   3.712  -1.026
  108    H    ILE  15           HN       ILE  15  -0.769   6.295  -3.910
  109    HA   ILE  15           HA       ILE  15  -3.104   5.030  -5.068
  110    HB   ILE  15           HB       ILE  15  -2.705   7.987  -4.556
  111   1HG1  ILE  15          HG12      ILE  15  -3.950   6.063  -2.574
  112   2HG1  ILE  15          HG11      ILE  15  -2.208   6.290  -2.586
  113   1HG2  ILE  15          HG23      ILE  15  -4.693   7.306  -5.872
  114   2HG2  ILE  15          HG22      ILE  15  -5.168   6.209  -4.576
  115   3HG2  ILE  15          HG21      ILE  15  -5.152   7.952  -4.297
  116   1HD1  ILE  15          HD11      ILE  15  -2.569   8.752  -2.367
  117   2HD1  ILE  15          HD13      ILE  15  -4.296   8.435  -2.179
  118   3HD1  ILE  15          HD12      ILE  15  -3.150   7.823  -0.988
  119    H    ALA  16           HN       ALA  16  -0.949   7.671  -6.244
  120    HA   ALA  16           HA       ALA  16  -2.304   8.100  -8.694
  121   1HB   ALA  16           HB3      ALA  16  -0.284   9.391  -7.724
  122   2HB   ALA  16           HB2      ALA  16   0.707   8.157  -8.503
  123   3HB   ALA  16           HB1      ALA  16  -0.352   9.181  -9.470
  124    H    GLY  17           HN       GLY  17   0.310   5.811  -7.928
  125   1HA   GLY  17           HA2      GLY  17   0.464   4.635 -10.532
  126   2HA   GLY  17           HA1      GLY  17   1.012   3.877  -9.036
  127    H    LEU  18           HN       LEU  18  -1.194   3.474  -7.576
  128    HA   LEU  18           HA       LEU  18  -2.486   1.266  -8.858
  129   1HB   LEU  18           HB2      LEU  18  -3.096   2.871  -6.366
  130   2HB   LEU  18           HB1      LEU  18  -4.115   1.525  -6.862
  131    HG   LEU  18           HG       LEU  18  -1.137   1.131  -6.598
  132   1HD1  LEU  18          HD13      LEU  18  -2.009   2.124  -4.457
  133   2HD1  LEU  18          HD12      LEU  18  -3.172   0.808  -4.369
  134   3HD1  LEU  18          HD11      LEU  18  -1.443   0.467  -4.278
  135   1HD2  LEU  18          HD23      LEU  18  -2.566  -0.632  -7.652
  136   2HD2  LEU  18          HD22      LEU  18  -1.834  -1.184  -6.149
  137   3HD2  LEU  18          HD21      LEU  18  -3.527  -0.699  -6.179
  138    H    LYS  19           HN       LYS  19  -3.912   4.347  -7.779
  139    HA   LYS  19           HA       LYS  19  -6.376   4.123  -9.101
  140   1HB   LYS  19           HB2      LYS  19  -5.673   5.895  -7.441
  141   2HB   LYS  19           HB1      LYS  19  -4.821   6.699  -8.755
  142   1HG   LYS  19           HG2      LYS  19  -6.946   6.867 -10.018
  143   2HG   LYS  19           HG1      LYS  19  -7.796   6.091  -8.684
  144   1HD   LYS  19           HD2      LYS  19  -6.140   8.556  -8.153
  145   2HD   LYS  19           HD1      LYS  19  -7.748   8.727  -8.852
  146   1HE   LYS  19           HE2      LYS  19  -8.697   7.432  -6.961
  147   2HE   LYS  19           HE1      LYS  19  -7.087   7.309  -6.251
  148   1HZ   LYS  19           HZ2      LYS  19  -7.034   9.803  -6.334
  149   2HZ   LYS  19           HZ1      LYS  19  -8.695   9.756  -6.691
  150   3HZ   LYS  19           HZ3      LYS  19  -8.128   9.131  -5.221
  151    H    LYS  20           HN       LYS  20  -3.290   4.340 -10.509
  152    HA   LYS  20           HA       LYS  20  -3.759   5.886 -12.831
  153   1HB   LYS  20           HB2      LYS  20  -1.552   4.774 -12.168
  154   2HB   LYS  20           HB1      LYS  20  -2.215   3.281 -12.831
  155   1HG   LYS  20           HG2      LYS  20  -2.695   4.684 -14.967
  156   2HG   LYS  20           HG1      LYS  20  -1.573   5.851 -14.274
  157   1HD   LYS  20           HD2      LYS  20  -0.117   4.552 -15.555
  158   2HD   LYS  20           HD1      LYS  20   0.004   3.746 -13.993
  159   1HE   LYS  20           HE2      LYS  20  -1.589   2.040 -14.696
  160   2HE   LYS  20           HE1      LYS  20  -1.887   2.893 -16.211
  161   1HZ   LYS  20           HZ2      LYS  20   0.474   2.599 -16.753
  162   2HZ   LYS  20           HZ1      LYS  20   0.676   1.674 -15.342
  163   3HZ   LYS  20           HZ3      LYS  20  -0.341   1.119 -16.581
  164    H    ARG  21           HN       ARG  21  -4.894   2.778 -11.863
  165    HA   ARG  21           HA       ARG  21  -6.131   2.268 -14.517
  166   1HB   ARG  21           HB2      ARG  21  -6.004   0.645 -11.943
  167   2HB   ARG  21           HB1      ARG  21  -6.827   0.118 -13.410
  168   1HG   ARG  21           HG2      ARG  21  -4.764   0.103 -14.657
  169   2HG   ARG  21           HG1      ARG  21  -3.892   0.863 -13.330
  170   1HD   ARG  21           HD2      ARG  21  -4.904  -1.376 -12.078
  171   2HD   ARG  21           HD1      ARG  21  -4.626  -1.995 -13.702
  172    HE   ARG  21           HE       ARG  21  -2.614  -1.650 -11.791
  173   1HH1  ARG  21          HH21      ARG  21  -3.256  -0.528 -14.999
  174   2HH1  ARG  21          HH22      ARG  21  -1.599  -0.180 -15.339
  175   1HH2  ARG  21          HH11      ARG  21  -0.459  -1.232 -12.247
  176   2HH2  ARG  21          HH12      ARG  21  -0.019  -0.588 -13.794
  177    H    LYS  22           HN       LYS  22  -7.615   1.348 -11.503
  178    HA   LYS  22           HA       LYS  22  -9.340   3.700 -11.388
  179   1HB   LYS  22           HB2      LYS  22 -10.465   0.997 -12.202
  180   2HB   LYS  22           HB1      LYS  22 -11.458   2.314 -11.577
  181   1HG   LYS  22           HG2      LYS  22 -10.392   3.758 -13.444
  182   2HG   LYS  22           HG1      LYS  22  -9.872   2.226 -14.147
  183   1HD   LYS  22           HD2      LYS  22 -12.717   3.078 -13.551
  184   2HD   LYS  22           HD1      LYS  22 -11.993   2.845 -15.142
  185   1HE   LYS  22           HE2      LYS  22 -11.535   0.430 -14.407
  186   2HE   LYS  22           HE1      LYS  22 -12.634   0.748 -13.064
  187   1HZ   LYS  22           HZ1      LYS  22 -14.226   1.559 -14.861
  188   2HZ   LYS  22           HZ3      LYS  22 -13.216   0.749 -15.958
  189   3HZ   LYS  22           HZ2      LYS  22 -13.990  -0.117 -14.718
  190    H    LEU  23           HN       LEU  23  -7.605   2.908  -9.516
  191    HA   LEU  23           HA       LEU  23  -9.235   1.497  -7.421
  192   1HB   LEU  23           HB2      LEU  23  -6.241   1.813  -7.584
  193   2HB   LEU  23           HB1      LEU  23  -7.119   0.859  -6.400
  194    HG   LEU  23           HG       LEU  23  -6.937   0.335  -9.383
  195   1HD1  LEU  23          HD12      LEU  23  -5.891  -1.091  -6.918
  196   2HD1  LEU  23          HD11      LEU  23  -5.846  -1.780  -8.544
  197   3HD1  LEU  23          HD13      LEU  23  -4.934  -0.314  -8.177
  198   1HD2  LEU  23          HD22      LEU  23  -8.610  -0.915  -7.192
  199   2HD2  LEU  23          HD21      LEU  23  -9.132  -0.361  -8.783
  200   3HD2  LEU  23          HD23      LEU  23  -8.165  -1.827  -8.634
  201    H    SER  24           HN       SER  24  -9.201   2.337  -5.330
  202    HA   SER  24           HA       SER  24  -7.771   4.844  -4.748
  203   1HB   SER  24           HB2      SER  24  -9.831   6.018  -4.033
  204   2HB   SER  24           HB1      SER  24  -9.882   5.653  -5.757
  205    HG   SER  24           HG       SER  24 -11.684   5.031  -4.032
  206    H    LEU  25           HN       LEU  25  -7.136   4.742  -2.583
  207    HA   LEU  25           HA       LEU  25  -7.403   2.441  -1.045
  208   1HB   LEU  25           HB2      LEU  25  -7.218   5.293  -0.034
  209   2HB   LEU  25           HB1      LEU  25  -6.936   3.861   0.962
  210    HG   LEU  25           HG       LEU  25  -5.400   4.183  -1.619
  211   1HD1  LEU  25          HD11      LEU  25  -4.740   5.522   1.020
  212   2HD1  LEU  25          HD13      LEU  25  -3.611   5.351  -0.325
  213   3HD1  LEU  25          HD12      LEU  25  -5.069   6.325  -0.515
  214   1HD2  LEU  25          HD23      LEU  25  -4.794   2.936   1.090
  215   2HD2  LEU  25          HD22      LEU  25  -5.199   2.067  -0.392
  216   3HD2  LEU  25          HD21      LEU  25  -3.682   2.957  -0.279
  217    H    SER  26           HN       SER  26  -9.745   5.078  -1.307
  218    HA   SER  26           HA       SER  26 -11.372   4.257   0.913
  219   1HB   SER  26           HB2      SER  26 -11.977   5.845  -1.583
  220   2HB   SER  26           HB1      SER  26 -13.194   5.530  -0.349
  221    HG   SER  26           HG       SER  26 -10.888   6.355   0.773
  222    H    ALA  27           HN       ALA  27 -11.159   3.164  -2.415
  223    HA   ALA  27           HA       ALA  27 -13.638   1.619  -2.267
  224   1HB   ALA  27           HB1      ALA  27 -12.520   2.612  -4.383
  225   2HB   ALA  27           HB3      ALA  27 -11.449   1.212  -4.307
  226   3HB   ALA  27           HB2      ALA  27 -13.187   0.984  -4.496
  227    H    LEU  28           HN       LEU  28 -10.150   0.827  -2.261
  228    HA   LEU  28           HA       LEU  28 -10.498  -1.992  -1.964
  229   1HB   LEU  28           HB2      LEU  28  -8.157  -0.641  -0.638
  230   2HB   LEU  28           HB1      LEU  28  -8.200  -2.118  -1.595
  231    HG   LEU  28           HG       LEU  28  -8.554   0.669  -2.731
  232   1HD1  LEU  28          HD12      LEU  28  -6.277   0.208  -1.802
  233   2HD1  LEU  28          HD11      LEU  28  -6.163  -1.177  -2.889
  234   3HD1  LEU  28          HD13      LEU  28  -6.289   0.455  -3.549
  235   1HD2  LEU  28          HD21      LEU  28  -9.643  -1.183  -3.996
  236   2HD2  LEU  28          HD23      LEU  28  -8.298  -0.466  -4.884
  237   3HD2  LEU  28          HD22      LEU  28  -8.089  -2.013  -4.064
  238    H    SER  29           HN       SER  29 -10.576   0.658   0.325
  239    HA   SER  29           HA       SER  29 -10.324  -0.917   2.716
  240   1HB   SER  29           HB2      SER  29 -10.001   1.427   2.930
  241   2HB   SER  29           HB1      SER  29 -11.528   1.791   2.132
  242    HG   SER  29           HG       SER  29 -12.495   1.574   3.984
  243    H    ARG  30           HN       ARG  30 -13.265   0.597   1.320
  244    HA   ARG  30           HA       ARG  30 -15.034  -0.933   2.995
  245   1HB   ARG  30           HB2      ARG  30 -16.828   0.040   1.670
  246   2HB   ARG  30           HB1      ARG  30 -15.620   1.276   2.016
  247   1HG   ARG  30           HG2      ARG  30 -14.569   0.650  -0.244
  248   2HG   ARG  30           HG1      ARG  30 -16.070  -0.213  -0.572
  249   1HD   ARG  30           HD2      ARG  30 -17.222   2.038   0.117
  250   2HD   ARG  30           HD1      ARG  30 -15.635   2.740  -0.197
  251    HE   ARG  30           HE       ARG  30 -16.158   1.224  -2.462
  252   1HH1  ARG  30          HH21      ARG  30 -17.751   3.691  -0.660
  253   2HH1  ARG  30          HH22      ARG  30 -18.576   4.349  -2.033
  254   1HH2  ARG  30          HH11      ARG  30 -17.233   2.064  -4.268
  255   2HH2  ARG  30          HH12      ARG  30 -18.284   3.427  -4.074
  256    H    GLN  31           HN       GLN  31 -13.447  -1.718   0.022
  257    HA   GLN  31           HA       GLN  31 -15.408  -3.526  -1.034
  258   1HB   GLN  31           HB2      GLN  31 -12.456  -3.126  -1.395
  259   2HB   GLN  31           HB1      GLN  31 -13.173  -4.610  -2.018
  260   1HG   GLN  31           HG2      GLN  31 -14.605  -3.438  -3.497
  261   2HG   GLN  31           HG1      GLN  31 -14.372  -1.909  -2.647
  262   1HE2  GLN  31          HE22      GLN  31 -10.915  -3.026  -4.502
  263   2HE2  GLN  31          HE21      GLN  31 -11.618  -4.022  -3.320
  264    H    PHE  32           HN       PHE  32 -12.990  -3.864   1.502
  265    HA   PHE  32           HA       PHE  32 -13.680  -6.772   1.772
  266   1HB   PHE  32           HB2      PHE  32 -11.348  -5.118   2.777
  267   2HB   PHE  32           HB1      PHE  32 -11.680  -6.752   3.362
  268    HD1  PHE  32           HD1      PHE  32 -10.774  -4.727   0.394
  269    HD2  PHE  32           HD2      PHE  32 -11.349  -8.698   1.956
  270    HE1  PHE  32           HE1      PHE  32  -9.708  -5.678  -1.642
  271    HE2  PHE  32           HE2      PHE  32 -10.279  -9.654  -0.076
  272    HZ   PHE  32           HZ       PHE  32  -9.460  -8.143  -1.879
  273    H    GLY  33           HN       GLY  33 -13.922  -3.653   3.362
  274   1HA   GLY  33           HA2      GLY  33 -15.938  -3.591   4.925
  275   2HA   GLY  33           HA1      GLY  33 -15.214  -4.983   5.720
  276    H    TYR  34           HN       TYR  34 -12.531  -4.210   5.856
  277    HA   TYR  34           HA       TYR  34 -12.388  -2.734   8.191
  278   1HB   TYR  34           HB2      TYR  34 -10.275  -2.418   6.060
  279   2HB   TYR  34           HB1      TYR  34 -10.068  -2.432   7.812
  280    HD1  TYR  34           HD2      TYR  34 -11.461  -4.730   8.810
  281    HD2  TYR  34           HD1      TYR  34  -9.300  -4.311   5.106
  282    HE1  TYR  34           HE2      TYR  34 -11.108  -7.187   8.740
  283    HE2  TYR  34           HE1      TYR  34  -8.951  -6.768   5.039
  284    HH   TYR  34           HH       TYR  34 -10.665  -8.927   6.765
  285    H    ALA  35           HN       ALA  35 -12.801  -0.674   8.733
  286    HA   ALA  35           HA       ALA  35 -13.850   1.239   6.972
  287   1HB   ALA  35           HB1      ALA  35 -13.078   1.124   9.751
  288   2HB   ALA  35           HB3      ALA  35 -12.521   2.659   9.088
  289   3HB   ALA  35           HB2      ALA  35 -14.229   2.225   8.996
  290    HA   PRO  36           HA       PRO  36 -10.512   3.013   4.743
  291   1HB   PRO  36           HB2      PRO  36 -10.854   5.783   5.433
  292   2HB   PRO  36           HB1      PRO  36 -11.479   4.952   4.002
  293   1HG   PRO  36           HG2      PRO  36 -12.948   5.821   6.389
  294   2HG   PRO  36           HG1      PRO  36 -13.593   5.227   4.852
  295   1HD   PRO  36           HD2      PRO  36 -13.567   3.813   7.321
  296   2HD   PRO  36           HD1      PRO  36 -13.953   3.139   5.722
  297    H    THR  37           HN       THR  37 -10.849   4.222   8.069
  298    HA   THR  37           HA       THR  37  -8.261   5.300   8.406
  299    HB   THR  37           HB       THR  37  -8.610   5.024  10.783
  300    HG1  THR  37           HG1      THR  37 -10.910   3.611  10.685
  301   1HG2  THR  37          HG21      THR  37 -10.051   6.663   9.596
  302   2HG2  THR  37          HG23      THR  37 -11.283   5.414   9.407
  303   3HG2  THR  37          HG22      THR  37 -10.849   5.988  11.017
  304    H    THR  38           HN       THR  38  -9.350   1.930   8.948
  305    HA   THR  38           HA       THR  38  -6.885   0.875   9.839
  306    HB   THR  38           HB       THR  38  -9.172  -0.315   8.255
  307    HG1  THR  38           HG1      THR  38  -8.757  -1.552  10.491
  308   1HG2  THR  38          HG21      THR  38  -6.535  -1.581   8.968
  309   2HG2  THR  38          HG23      THR  38  -8.006  -2.553   8.922
  310   3HG2  THR  38          HG22      THR  38  -7.461  -1.712   7.471
  311    H    LEU  39           HN       LEU  39  -8.123   0.568   6.506
  312    HA   LEU  39           HA       LEU  39  -5.759  -0.246   5.277
  313   1HB   LEU  39           HB2      LEU  39  -8.011  -0.091   4.197
  314   2HB   LEU  39           HB1      LEU  39  -7.800   1.654   4.098
  315    HG   LEU  39           HG       LEU  39  -5.702   1.263   2.772
  316   1HD1  LEU  39          HD13      LEU  39  -6.598  -1.594   3.126
  317   2HD1  LEU  39          HD12      LEU  39  -5.751  -1.127   1.654
  318   3HD1  LEU  39          HD11      LEU  39  -4.970  -0.922   3.218
  319   1HD2  LEU  39          HD23      LEU  39  -7.898   1.774   1.757
  320   2HD2  LEU  39          HD22      LEU  39  -6.897   0.774   0.707
  321   3HD2  LEU  39          HD21      LEU  39  -8.223   0.047   1.619
  322    H    ALA  40           HN       ALA  40  -6.839   3.113   5.846
  323    HA   ALA  40           HA       ALA  40  -4.707   4.433   4.547
  324   1HB   ALA  40           HB3      ALA  40  -6.681   5.609   5.450
  325   2HB   ALA  40           HB2      ALA  40  -6.137   5.261   7.091
  326   3HB   ALA  40           HB1      ALA  40  -5.189   6.329   6.056
  327    H    ASN  41           HN       ASN  41  -4.888   4.239   8.089
  328    HA   ASN  41           HA       ASN  41  -2.150   4.694   8.560
  329   1HB   ASN  41           HB2      ASN  41  -3.963   4.817  10.275
  330   2HB   ASN  41           HB1      ASN  41  -4.029   3.052  10.284
  331   1HD2  ASN  41          HD22      ASN  41  -0.332   4.385  11.412
  332   2HD2  ASN  41          HD21      ASN  41  -0.976   4.829   9.907
  333    H    ALA  42           HN       ALA  42  -3.379   2.039   6.956
  334    HA   ALA  42           HA       ALA  42  -1.779  -0.060   8.155
  335   1HB   ALA  42           HB3      ALA  42  -3.830  -0.354   6.641
  336   2HB   ALA  42           HB2      ALA  42  -2.747  -0.004   5.293
  337   3HB   ALA  42           HB1      ALA  42  -2.455  -1.410   6.309
  338    H    LEU  43           HN       LEU  43  -0.841   2.663   6.562
  339    HA   LEU  43           HA       LEU  43   1.293   1.483   4.925
  340   1HB   LEU  43           HB2      LEU  43   0.699   4.362   5.658
  341   2HB   LEU  43           HB1      LEU  43   1.889   3.844   4.462
  342    HG   LEU  43           HG       LEU  43  -0.977   2.922   4.210
  343   1HD1  LEU  43          HD12      LEU  43   0.119   5.579   3.233
  344   2HD1  LEU  43          HD11      LEU  43  -1.456   4.905   2.815
  345   3HD1  LEU  43          HD13      LEU  43  -1.108   5.365   4.482
  346   1HD2  LEU  43          HD22      LEU  43   1.254   3.528   2.237
  347   2HD2  LEU  43          HD21      LEU  43   0.696   1.928   2.718
  348   3HD2  LEU  43          HD23      LEU  43  -0.362   2.988   1.787
  349    H    GLU  44           HN       GLU  44   0.957   2.369   8.230
  350    HA   GLU  44           HA       GLU  44   3.951   2.442   8.520
  351   1HB   GLU  44           HB2      GLU  44   1.871   3.986  10.087
  352   2HB   GLU  44           HB1      GLU  44   3.598   3.958  10.450
  353   1HG   GLU  44           HG2      GLU  44   3.943   4.730   8.013
  354   2HG   GLU  44           HG1      GLU  44   2.218   5.098   8.015
  355    H    ARG  45           HN       ARG  45   0.878   1.383   9.971
  356    HA   ARG  45           HA       ARG  45   2.199   0.195  12.270
  357   1HB   ARG  45           HB2      ARG  45  -0.565  -0.234  11.102
  358   2HB   ARG  45           HB1      ARG  45  -0.008  -0.957  12.614
  359   1HG   ARG  45           HG2      ARG  45   0.582   1.482  13.311
  360   2HG   ARG  45           HG1      ARG  45  -0.475   1.956  11.980
  361   1HD   ARG  45           HD2      ARG  45  -2.306   0.615  12.971
  362   2HD   ARG  45           HD1      ARG  45  -1.250   0.184  14.317
  363    HE   ARG  45           HE       ARG  45  -1.202   2.952  14.308
  364   1HH1  ARG  45          HH21      ARG  45  -3.605   0.485  14.328
  365   2HH1  ARG  45          HH22      ARG  45  -4.755   1.424  15.220
  366   1HH2  ARG  45          HH11      ARG  45  -2.689   4.198  15.476
  367   2HH2  ARG  45          HH12      ARG  45  -4.236   3.527  15.869
  368    H    HIS  46           HN       HIS  46   3.109  -1.786  12.454
  369    HA   HIS  46           HA       HIS  46   3.770  -3.362  10.199
  370   1HB   HIS  46           HB2      HIS  46   4.401  -5.108  11.833
  371   2HB   HIS  46           HB1      HIS  46   4.960  -3.519  12.363
  372    HD1  HIS  46           HD1      HIS  46   2.069  -2.563  13.333
  373    HD2  HIS  46           HD2      HIS  46   3.980  -6.093  14.457
  374    HE1  HIS  46           HE1      HIS  46   1.043  -3.260  15.540
  375    H    TRP  47           HN       TRP  47   2.024  -3.972   8.919
  376    HA   TRP  47           HA       TRP  47   0.374  -6.168   9.912
  377   1HB   TRP  47           HB2      TRP  47  -0.885  -4.172  10.716
  378   2HB   TRP  47           HB1      TRP  47  -0.956  -3.571   9.061
  379    HD1  TRP  47           HD1      TRP  47  -1.628  -7.142  10.437
  380    HE1  TRP  47           HE1      TRP  47  -3.946  -7.888   9.611
  381    HE3  TRP  47           HE3      TRP  47  -3.113  -2.882   8.013
  382    HZ2  TRP  47           HZ2      TRP  47  -6.153  -6.830   8.127
  383    HZ3  TRP  47           HZ3      TRP  47  -5.338  -2.780   6.907
  384    HH2  TRP  47           HH2      TRP  47  -6.859  -4.748   6.964
  385    HA   PRO  48           HA       PRO  48   1.781  -5.986   5.454
  386   1HB   PRO  48           HB2      PRO  48   2.269  -8.859   5.772
  387   2HB   PRO  48           HB1      PRO  48   3.414  -7.575   5.347
  388   1HG   PRO  48           HG2      PRO  48   3.274  -8.931   7.841
  389   2HG   PRO  48           HG1      PRO  48   4.209  -7.466   7.497
  390   1HD   PRO  48           HD2      PRO  48   1.760  -7.734   9.079
  391   2HD   PRO  48           HD1      PRO  48   2.828  -6.316   8.920
  392    H    LYS  49           HN       LYS  49  -0.668  -7.749   7.195
  393    HA   LYS  49           HA       LYS  49  -1.728  -9.163   4.896
  394   1HB   LYS  49           HB2      LYS  49  -2.236  -9.712   7.326
  395   2HB   LYS  49           HB1      LYS  49  -3.277  -8.294   7.350
  396   1HG   LYS  49           HG2      LYS  49  -4.915  -9.751   6.670
  397   2HG   LYS  49           HG1      LYS  49  -4.202  -9.544   5.076
  398   1HD   LYS  49           HD2      LYS  49  -3.351 -11.709   7.026
  399   2HD   LYS  49           HD1      LYS  49  -4.565 -11.944   5.775
  400   1HE   LYS  49           HE2      LYS  49  -2.750 -11.094   4.131
  401   2HE   LYS  49           HE1      LYS  49  -1.618 -11.412   5.448
  402   1HZ   LYS  49           HZ1      LYS  49  -2.460 -13.686   5.545
  403   2HZ   LYS  49           HZ3      LYS  49  -3.488 -13.369   4.234
  404   3HZ   LYS  49           HZ2      LYS  49  -1.803 -13.325   4.020
  405    H    GLY  50           HN       GLY  50  -2.095  -5.933   6.207
  406   1HA   GLY  50           HA2      GLY  50  -4.417  -5.245   4.583
  407   2HA   GLY  50           HA1      GLY  50  -3.379  -4.099   5.443
  408    H    GLU  51           HN       GLU  51  -0.935  -5.245   4.193
  409    HA   GLU  51           HA       GLU  51  -0.888  -3.562   1.842
  410   1HB   GLU  51           HB2      GLU  51   1.085  -5.708   2.690
  411   2HB   GLU  51           HB1      GLU  51   1.389  -4.380   1.569
  412   1HG   GLU  51           HG2      GLU  51   0.878  -2.769   3.408
  413   2HG   GLU  51           HG1      GLU  51   0.744  -4.132   4.515
  414    H    GLN  52           HN       GLN  52  -1.398  -6.976   2.506
  415    HA   GLN  52           HA       GLN  52  -1.127  -7.961  -0.168
  416   1HB   GLN  52           HB2      GLN  52  -2.807  -8.903   2.175
  417   2HB   GLN  52           HB1      GLN  52  -2.718  -9.779   0.647
  418   1HG   GLN  52           HG2      GLN  52  -0.207  -9.005   2.138
  419   2HG   GLN  52           HG1      GLN  52  -1.085 -10.479   2.542
  420   1HE2  GLN  52          HE22      GLN  52   1.361 -11.520  -0.014
  421   2HE2  GLN  52          HE21      GLN  52   1.386 -11.016   1.607
  422    H    ILE  53           HN       ILE  53  -3.790  -6.430   1.595
  423    HA   ILE  53           HA       ILE  53  -5.875  -6.836  -0.296
  424    HB   ILE  53           HB       ILE  53  -5.367  -4.370   1.413
  425   1HG1  ILE  53          HG12      ILE  53  -6.865  -6.937   2.037
  426   2HG1  ILE  53          HG11      ILE  53  -5.329  -6.438   2.754
  427   1HG2  ILE  53          HG22      ILE  53  -7.167  -4.267  -0.422
  428   2HG2  ILE  53          HG21      ILE  53  -8.030  -5.482   0.518
  429   3HG2  ILE  53          HG23      ILE  53  -7.690  -3.902   1.221
  430   1HD1  ILE  53          HD11      ILE  53  -6.602  -4.287   3.467
  431   2HD1  ILE  53          HD13      ILE  53  -8.065  -5.213   3.130
  432   3HD1  ILE  53          HD12      ILE  53  -6.931  -5.771   4.358
  433    H    ILE  54           HN       ILE  54  -3.581  -4.096  -0.015
  434    HA   ILE  54           HA       ILE  54  -4.437  -2.787  -2.416
  435    HB   ILE  54           HB       ILE  54  -1.844  -2.690  -0.855
  436   1HG1  ILE  54          HG12      ILE  54  -4.144  -0.723  -1.077
  437   2HG1  ILE  54          HG11      ILE  54  -4.006  -1.926   0.207
  438   1HG2  ILE  54          HG21      ILE  54  -2.766  -1.172  -3.288
  439   2HG2  ILE  54          HG23      ILE  54  -1.643  -0.439  -2.144
  440   3HG2  ILE  54          HG22      ILE  54  -1.199  -1.918  -2.989
  441   1HD1  ILE  54          HD13      ILE  54  -1.560  -0.809   0.456
  442   2HD1  ILE  54          HD12      ILE  54  -2.414   0.575  -0.224
  443   3HD1  ILE  54          HD11      ILE  54  -2.974  -0.151   1.278
  444    H    ALA  55           HN       ALA  55  -1.543  -4.841  -1.833
  445    HA   ALA  55           HA       ALA  55  -0.638  -4.859  -4.529
  446   1HB   ALA  55           HB2      ALA  55   0.701  -5.687  -2.611
  447   2HB   ALA  55           HB1      ALA  55  -0.395  -7.060  -2.453
  448   3HB   ALA  55           HB3      ALA  55   0.601  -6.888  -3.898
  449    H    ASN  56           HN       ASN  56  -3.037  -6.818  -2.861
  450    HA   ASN  56           HA       ASN  56  -3.419  -8.860  -4.775
  451   1HB   ASN  56           HB2      ASN  56  -4.576  -9.079  -2.703
  452   2HB   ASN  56           HB1      ASN  56  -5.333  -7.498  -2.866
  453   1HD2  ASN  56          HD22      ASN  56  -6.981 -10.731  -4.740
  454   2HD2  ASN  56          HD21      ASN  56  -5.456 -10.856  -4.008
  455    H    ALA  57           HN       ALA  57  -4.550  -5.518  -4.717
  456    HA   ALA  57           HA       ALA  57  -6.398  -5.713  -6.881
  457   1HB   ALA  57           HB2      ALA  57  -5.977  -3.749  -5.237
  458   2HB   ALA  57           HB1      ALA  57  -4.734  -3.252  -6.386
  459   3HB   ALA  57           HB3      ALA  57  -6.418  -3.365  -6.900
  460    H    LEU  58           HN       LEU  58  -2.889  -5.045  -6.887
  461    HA   LEU  58           HA       LEU  58  -2.885  -4.868  -9.839
  462   1HB   LEU  58           HB2      LEU  58  -0.619  -4.859  -7.817
  463   2HB   LEU  58           HB1      LEU  58  -0.435  -4.575  -9.540
  464    HG   LEU  58           HG       LEU  58  -2.160  -2.898  -7.710
  465   1HD1  LEU  58          HD11      LEU  58   0.632  -2.415  -8.804
  466   2HD1  LEU  58          HD13      LEU  58  -0.322  -1.220  -7.929
  467   3HD1  LEU  58          HD12      LEU  58   0.212  -2.689  -7.114
  468   1HD2  LEU  58          HD23      LEU  58  -1.410  -2.767 -10.635
  469   2HD2  LEU  58          HD22      LEU  58  -2.992  -2.550  -9.887
  470   3HD2  LEU  58          HD21      LEU  58  -1.779  -1.281  -9.757
  471    H    GLU  59           HN       GLU  59  -3.249  -7.376  -7.831
  472    HA   GLU  59           HA       GLU  59  -2.756  -9.666  -7.955
  473   1HB   GLU  59           HB2      GLU  59  -2.014  -9.055 -10.829
  474   2HB   GLU  59           HB1      GLU  59  -2.564 -10.594 -10.169
  475   1HG   GLU  59           HG2      GLU  59  -4.736  -9.522  -9.573
  476   2HG   GLU  59           HG1      GLU  59  -4.187  -8.039 -10.354
  477    H    THR  60           HN       THR  60  -0.566  -7.570  -7.470
  478    HA   THR  60           HA       THR  60   1.799  -9.274  -8.214
  479    HB   THR  60           HB       THR  60   1.695  -6.812  -8.991
  480    HG1  THR  60           HG1      THR  60   3.770  -7.019  -9.057
  481   1HG2  THR  60          HG21      THR  60   0.936  -6.127  -6.564
  482   2HG2  THR  60          HG23      THR  60   2.667  -6.170  -6.221
  483   3HG2  THR  60          HG22      THR  60   2.042  -5.080  -7.460
  484    H    LYS  61           HN       LYS  61   3.625  -8.452  -6.360
  485    HA   LYS  61           HA       LYS  61   2.422  -9.478  -3.837
  486   1HB   LYS  61           HB2      LYS  61   5.377  -9.300  -4.419
  487   2HB   LYS  61           HB1      LYS  61   4.544 -10.375  -3.297
  488   1HG   LYS  61           HG2      LYS  61   4.776 -11.911  -4.996
  489   2HG   LYS  61           HG1      LYS  61   3.344 -11.127  -5.644
  490   1HD   LYS  61           HD2      LYS  61   4.886  -9.560  -6.900
  491   2HD   LYS  61           HD1      LYS  61   6.229 -10.574  -6.380
  492   1HE   LYS  61           HE2      LYS  61   3.910 -11.328  -8.163
  493   2HE   LYS  61           HE1      LYS  61   5.633 -11.405  -8.526
  494   1HZ   LYS  61           HZ2      LYS  61   5.623 -12.992  -6.466
  495   2HZ   LYS  61           HZ1      LYS  61   3.992 -13.200  -6.893
  496   3HZ   LYS  61           HZ3      LYS  61   5.212 -13.571  -8.011
  497    HA   PRO  62           HA       PRO  62   3.005  -5.506  -1.937
  498   1HB   PRO  62           HB2      PRO  62   3.909  -6.465   0.620
  499   2HB   PRO  62           HB1      PRO  62   2.260  -6.015   0.172
  500   1HG   PRO  62           HG2      PRO  62   3.374  -8.705   0.552
  501   2HG   PRO  62           HG1      PRO  62   1.679  -8.224   0.389
  502   1HD   PRO  62           HD2      PRO  62   3.232  -9.564  -1.579
  503   2HD   PRO  62           HD1      PRO  62   1.639  -8.817  -1.821
  504    H    GLU  63           HN       GLU  63   5.465  -7.964  -1.961
  505    HA   GLU  63           HA       GLU  63   7.697  -6.465  -1.005
  506   1HB   GLU  63           HB2      GLU  63   7.418  -8.811  -2.891
  507   2HB   GLU  63           HB1      GLU  63   8.995  -8.116  -2.516
  508   1HG   GLU  63           HG2      GLU  63   8.326 -10.062  -1.043
  509   2HG   GLU  63           HG1      GLU  63   8.732  -8.586  -0.168
  510    H    VAL  64           HN       VAL  64   5.803  -5.992  -3.775
  511    HA   VAL  64           HA       VAL  64   8.000  -4.867  -5.414
  512    HB   VAL  64           HB       VAL  64   5.008  -5.044  -5.904
  513   1HG1  VAL  64          HG11      VAL  64   7.307  -4.166  -7.674
  514   2HG1  VAL  64          HG13      VAL  64   5.694  -4.549  -8.274
  515   3HG1  VAL  64          HG12      VAL  64   5.923  -3.194  -7.169
  516   1HG2  VAL  64          HG22      VAL  64   7.371  -6.678  -6.883
  517   2HG2  VAL  64          HG21      VAL  64   6.035  -7.242  -5.878
  518   3HG2  VAL  64          HG23      VAL  64   5.744  -6.793  -7.556
  519    H    ILE  65           HN       ILE  65   5.340  -3.788  -3.369
  520    HA   ILE  65           HA       ILE  65   5.728  -0.968  -4.172
  521    HB   ILE  65           HB       ILE  65   3.875  -2.292  -2.184
  522   1HG1  ILE  65          HG12      ILE  65   3.109  -0.790  -4.686
  523   2HG1  ILE  65          HG11      ILE  65   3.613  -2.476  -4.794
  524   1HG2  ILE  65          HG22      ILE  65   4.204   0.615  -2.954
  525   2HG2  ILE  65          HG21      ILE  65   2.780  -0.012  -2.125
  526   3HG2  ILE  65          HG23      ILE  65   4.355  -0.081  -1.340
  527   1HD1  ILE  65          HD12      ILE  65   1.853  -3.002  -3.026
  528   2HD1  ILE  65          HD11      ILE  65   1.257  -1.357  -3.249
  529   3HD1  ILE  65          HD13      ILE  65   1.224  -2.494  -4.592
  530    H    TRP  66           HN       TRP  66   6.829  -3.182  -1.749
  531    HA   TRP  66           HA       TRP  66   8.279  -0.945  -0.365
  532   1HB   TRP  66           HB2      TRP  66   6.889  -3.330   0.896
  533   2HB   TRP  66           HB1      TRP  66   8.023  -2.286   1.757
  534    HD1  TRP  66           HD1      TRP  66   7.331   0.295   2.076
  535    HE1  TRP  66           HE1      TRP  66   5.017   1.436   2.131
  536    HE3  TRP  66           HE3      TRP  66   4.479  -3.425   0.036
  537    HZ2  TRP  66           HZ2      TRP  66   2.306   0.849   1.400
  538    HZ3  TRP  66           HZ3      TRP  66   2.032  -3.111  -0.281
  539    HH2  TRP  66           HH2      TRP  66   0.941  -0.980   0.404
  540    HA   PRO  67           HA       PRO  67  11.072  -4.325  -1.942
  541   1HB   PRO  67           HB2      PRO  67  12.891  -2.524  -3.126
  542   2HB   PRO  67           HB1      PRO  67  11.585  -3.379  -3.967
  543   1HG   PRO  67           HG2      PRO  67  11.745  -0.524  -3.232
  544   2HG   PRO  67           HG1      PRO  67  10.657  -1.315  -4.381
  545   1HD   PRO  67           HD2      PRO  67  10.002  -0.398  -1.750
  546   2HD   PRO  67           HD1      PRO  67   8.963  -1.332  -2.845
  547    H    SER  68           HN       SER  68  12.611  -1.186  -1.101
  548    HA   SER  68           HA       SER  68  14.857  -2.321   0.178
  549   1HB   SER  68           HB2      SER  68  14.274   0.169  -0.510
  550   2HB   SER  68           HB1      SER  68  13.778   0.290   1.178
  551    HG   SER  68           HG       SER  68  16.082  -1.018   1.081
  552    H    ARG  69           HN       ARG  69  11.811  -2.872   1.212
  553    HA   ARG  69           HA       ARG  69  12.456  -2.628   4.122
  554   1HB   ARG  69           HB2      ARG  69   9.864  -3.315   2.703
  555   2HB   ARG  69           HB1      ARG  69  10.055  -3.159   4.449
  556   1HG   ARG  69           HG2      ARG  69  10.577  -0.951   2.429
  557   2HG   ARG  69           HG1      ARG  69   9.136  -1.087   3.433
  558   1HD   ARG  69           HD2      ARG  69  10.383   0.345   4.763
  559   2HD   ARG  69           HD1      ARG  69  10.970  -1.195   5.395
  560    HE   ARG  69           HE       ARG  69  12.694  -0.650   3.303
  561   1HH1  ARG  69          HH21      ARG  69  11.544   1.031   6.087
  562   2HH1  ARG  69          HH22      ARG  69  13.000   1.943   6.300
  563   1HH2  ARG  69          HH11      ARG  69  14.597   0.531   3.567
  564   2HH2  ARG  69          HH12      ARG  69  14.732   1.655   4.877
  565    H    TYR  70           HN       TYR  70  11.865  -4.945   1.548
  566    HA   TYR  70           HA       TYR  70  12.081  -7.233   3.485
  567   1HB   TYR  70           HB2      TYR  70  11.006  -6.955   0.664
  568   2HB   TYR  70           HB1      TYR  70  11.391  -8.535   1.334
  569    HD1  TYR  70           HD2      TYR  70  10.315  -9.207   3.583
  570    HD2  TYR  70           HD1      TYR  70   8.981  -5.902   1.185
  571    HE1  TYR  70           HE2      TYR  70   8.131  -9.227   4.778
  572    HE2  TYR  70           HE1      TYR  70   6.791  -5.907   2.374
  573    HH   TYR  70           HH       TYR  70   5.739  -6.692   4.282
  574    H    GLN  71           HN       GLN  71  13.125  -9.186   1.924
  575    HA   GLN  71           HA       GLN  71  15.438  -8.262   0.404
  576   1HB   GLN  71           HB2      GLN  71  16.191  -8.002   2.782
  577   2HB   GLN  71           HB1      GLN  71  15.907  -9.726   3.020
  578   1HG   GLN  71           HG2      GLN  71  18.269  -9.375   2.529
  579   2HG   GLN  71           HG1      GLN  71  17.520 -10.199   1.163
  580   1HE2  GLN  71          HE22      GLN  71  18.797  -6.325   0.716
  581   2HE2  GLN  71          HE21      GLN  71  18.604  -6.967   2.276
  582    H    ALA  72           HN       ALA  72  14.641  -9.633  -1.232
  583    HA   ALA  72           HA       ALA  72  14.294 -11.657  -2.364
  584   1HB   ALA  72           HB2      ALA  72  16.701 -11.917  -1.622
  585   2HB   ALA  72           HB1      ALA  72  16.102 -12.828  -0.235
  586   3HB   ALA  72           HB3      ALA  72  15.838 -13.436  -1.870
  587    H    GLY  73           HN       GLY  73  13.070 -11.065   0.609
  588   1HA   GLY  73           HA2      GLY  73  12.208 -13.569   1.613
  589   2HA   GLY  73           HA1      GLY  73  11.334 -12.054   1.839
  590    H    GLU  74           HN       GLU  74   9.882 -14.378   1.489
  591    HA   GLU  74           HA       GLU  74   9.083 -14.514  -1.364
  592   1HB   GLU  74           HB2      GLU  74   9.305 -16.615  -0.068
  593   2HB   GLU  74           HB1      GLU  74   8.068 -16.047   1.053
  594   1HG   GLU  74           HG2      GLU  74   6.371 -16.125  -0.609
  595   2HG   GLU  74           HG1      GLU  74   7.547 -16.250  -1.917
   
  No H/Q in entry =         595
  Start of MODEL           2
 Raw file had  612 H/Q atoms
  Start of MODEL    2
    1   1H    CYS   1           HT3      CYS   1  16.423  13.822   7.734
    2   2H    CYS   1           HT2      CYS   1  17.968  13.567   8.393
    3   3H    CYS   1           HT1      CYS   1  17.800  14.039   6.770
    4    HA   CYS   1           HA       CYS   1  17.437  11.974   6.056
    5   1HB   CYS   1           HB2      CYS   1  18.333  11.337   8.884
    6   2HB   CYS   1           HB1      CYS   1  18.412  10.236   7.508
    7    HG   CYS   1           HG       CYS   1  20.631  11.263   7.095
    8    H    SER   2           HN       SER   2  15.029  13.156   7.126
    9    HA   SER   2           HA       SER   2  13.651  10.845   8.430
   10   1HB   SER   2           HB2      SER   2  12.736  13.707   8.013
   11   2HB   SER   2           HB1      SER   2  11.842  12.460   8.876
   12    HG   SER   2           HG       SER   2  13.350  14.019  10.052
   13    H    ASN   3           HN       ASN   3  14.083  12.359   5.400
   14    HA   ASN   3           HA       ASN   3  12.976  12.118   3.341
   15   1HB   ASN   3           HB2      ASN   3  12.234   9.503   4.689
   16   2HB   ASN   3           HB1      ASN   3  11.968   9.847   2.980
   17   1HD2  ASN   3          HD22      ASN   3  15.881  10.358   3.297
   18   2HD2  ASN   3          HD21      ASN   3  14.711  11.534   3.661
   19    H    GLU   4           HN       GLU   4  10.525  10.935   2.699
   20    HA   GLU   4           HA       GLU   4   8.563  12.534   4.327
   21   1HB   GLU   4           HB2      GLU   4   7.281  12.731   2.167
   22   2HB   GLU   4           HB1      GLU   4   8.834  13.569   2.148
   23   1HG   GLU   4           HG2      GLU   4   9.868  11.646   1.009
   24   2HG   GLU   4           HG1      GLU   4   8.324  10.792   1.037
   25    H    LYS   5           HN       LYS   5   9.279   9.539   2.639
   26    HA   LYS   5           HA       LYS   5   7.379   8.077   4.238
   27   1HB   LYS   5           HB2      LYS   5   5.884   9.218   2.535
   28   2HB   LYS   5           HB1      LYS   5   6.710   8.279   1.296
   29   1HG   LYS   5           HG2      LYS   5   4.853   6.929   1.773
   30   2HG   LYS   5           HG1      LYS   5   6.101   6.213   2.785
   31   1HD   LYS   5           HD2      LYS   5   5.263   7.338   4.750
   32   2HD   LYS   5           HD1      LYS   5   4.164   8.322   3.784
   33   1HE   LYS   5           HE2      LYS   5   2.904   6.335   3.133
   34   2HE   LYS   5           HE1      LYS   5   4.039   5.305   4.004
   35   1HZ   LYS   5           HZ2      LYS   5   3.260   7.207   5.817
   36   2HZ   LYS   5           HZ1      LYS   5   1.829   6.792   5.002
   37   3HZ   LYS   5           HZ3      LYS   5   2.746   5.588   5.767
   38    H    ALA   6           HN       ALA   6   9.418   6.926   4.539
   39    HA   ALA   6           HA       ALA   6  11.010   5.280   4.016
   40   1HB   ALA   6           HB3      ALA   6   8.702   4.337   2.291
   41   2HB   ALA   6           HB2      ALA   6  10.098   3.359   2.748
   42   3HB   ALA   6           HB1      ALA   6   8.967   3.918   3.980
   43    H    ARG   7           HN       ARG   7  11.873   4.000   1.872
   44    HA   ARG   7           HA       ARG   7  12.552   6.173  -0.069
   45   1HB   ARG   7           HB2      ARG   7  13.927   3.485   0.062
   46   2HB   ARG   7           HB1      ARG   7  14.569   5.036  -0.477
   47   1HG   ARG   7           HG2      ARG   7  14.045   5.703   2.081
   48   2HG   ARG   7           HG1      ARG   7  14.257   3.968   2.308
   49   1HD   ARG   7           HD2      ARG   7  16.239   5.984   1.263
   50   2HD   ARG   7           HD1      ARG   7  16.428   4.885   2.624
   51    HE   ARG   7           HE       ARG   7  17.137   4.362  -0.107
   52   1HH1  ARG   7          HH21      ARG   7  15.561   2.858   2.573
   53   2HH1  ARG   7          HH22      ARG   7  15.720   1.262   1.926
   54   1HH2  ARG   7          HH11      ARG   7  17.356   2.296  -0.946
   55   2HH2  ARG   7          HH12      ARG   7  16.734   0.942  -0.065
   56    H    ASP   8           HN       ASP   8  10.631   3.426   0.287
   57    HA   ASP   8           HA       ASP   8  10.753   2.405  -2.425
   58   1HB   ASP   8           HB2      ASP   8   8.594   2.065  -0.322
   59   2HB   ASP   8           HB1      ASP   8   8.843   1.050  -1.751
   60    H    TRP   9           HN       TRP   9   7.749   2.230  -2.520
   61    HA   TRP   9           HA       TRP   9   7.244   4.420  -4.312
   62   1HB   TRP   9           HB2      TRP   9   5.342   2.501  -2.919
   63   2HB   TRP   9           HB1      TRP   9   4.898   3.581  -4.227
   64    HD1  TRP   9           HD1      TRP   9   8.024   1.246  -3.968
   65    HE1  TRP   9           HE1      TRP   9   8.047  -0.270  -6.032
   66    HE3  TRP   9           HE3      TRP   9   3.614   2.665  -6.151
   67    HZ2  TRP   9           HZ2      TRP   9   6.402  -0.871  -8.290
   68    HZ3  TRP   9           HZ3      TRP   9   2.856   1.571  -8.253
   69    HH2  TRP   9           HH2      TRP   9   4.248  -0.195  -9.322
   70    H    HIS  10           HN       HIS  10   7.173   6.476  -3.450
   71    HA   HIS  10           HA       HIS  10   6.645   7.279  -0.840
   72   1HB   HIS  10           HB2      HIS  10   5.819   8.723  -3.377
   73   2HB   HIS  10           HB1      HIS  10   6.003   9.466  -1.784
   74    HD1  HIS  10           HD1      HIS  10   8.589   7.308  -1.449
   75    HD2  HIS  10           HD2      HIS  10   8.095  10.498  -4.086
   76    HE1  HIS  10           HE1      HIS  10  10.911   7.978  -2.202
   77    H    ARG  11           HN       ARG  11   4.624   8.449  -0.041
   78    HA   ARG  11           HA       ARG  11   2.423   6.701   0.117
   79   1HB   ARG  11           HB2      ARG  11   2.806   8.573   1.683
   80   2HB   ARG  11           HB1      ARG  11   2.412   9.719   0.404
   81   1HG   ARG  11           HG2      ARG  11   0.144   8.848   0.253
   82   2HG   ARG  11           HG1      ARG  11   0.518   7.577   1.417
   83   1HD   ARG  11           HD2      ARG  11   0.731   9.122   3.204
   84   2HD   ARG  11           HD1      ARG  11   0.849  10.500   2.109
   85    HE   ARG  11           HE       ARG  11  -1.659   9.466   1.574
   86   1HH1  ARG  11          HH21      ARG  11   0.090  10.430   4.386
   87   2HH1  ARG  11          HH22      ARG  11  -1.321  10.949   5.248
   88   1HH2  ARG  11          HH11      ARG  11  -3.509  10.140   2.681
   89   2HH2  ARG  11          HH12      ARG  11  -3.359  10.788   4.281
   90    H    ALA  12           HN       ALA  12   2.988   9.387  -2.133
   91    HA   ALA  12           HA       ALA  12   0.369   9.023  -3.415
   92   1HB   ALA  12           HB2      ALA  12   1.469  11.258  -3.238
   93   2HB   ALA  12           HB1      ALA  12   2.739  10.688  -4.322
   94   3HB   ALA  12           HB3      ALA  12   1.078  10.819  -4.901
   95    H    ASP  13           HN       ASP  13   3.605   7.775  -3.871
   96    HA   ASP  13           HA       ASP  13   3.292   7.090  -6.663
   97   1HB   ASP  13           HB2      ASP  13   5.025   5.913  -4.489
   98   2HB   ASP  13           HB1      ASP  13   5.105   5.403  -6.173
   99    H    VAL  14           HN       VAL  14   2.153   5.862  -3.680
  100    HA   VAL  14           HA       VAL  14   1.399   3.229  -4.729
  101    HB   VAL  14           HB       VAL  14   0.771   4.688  -2.147
  102   1HG1  VAL  14          HG13      VAL  14  -0.005   1.934  -3.132
  103   2HG1  VAL  14          HG12      VAL  14   0.008   2.361  -1.421
  104   3HG1  VAL  14          HG11      VAL  14  -1.074   3.201  -2.534
  105   1HG2  VAL  14          HG21      VAL  14   3.111   3.957  -2.447
  106   2HG2  VAL  14          HG23      VAL  14   2.309   3.028  -1.182
  107   3HG2  VAL  14          HG22      VAL  14   2.552   2.318  -2.778
  108    H    ILE  15           HN       ILE  15  -0.471   6.077  -3.507
  109    HA   ILE  15           HA       ILE  15  -2.969   5.126  -4.568
  110    HB   ILE  15           HB       ILE  15  -2.430   8.096  -4.374
  111   1HG1  ILE  15          HG12      ILE  15  -1.517   7.698  -2.274
  112   2HG1  ILE  15          HG11      ILE  15  -3.230   7.765  -1.864
  113   1HG2  ILE  15          HG21      ILE  15  -4.625   7.141  -5.109
  114   2HG2  ILE  15          HG23      ILE  15  -4.798   6.417  -3.508
  115   3HG2  ILE  15          HG22      ILE  15  -4.738   8.171  -3.683
  116   1HD1  ILE  15          HD11      ILE  15  -3.067   5.137  -2.321
  117   2HD1  ILE  15          HD13      ILE  15  -1.380   5.427  -1.910
  118   3HD1  ILE  15          HD12      ILE  15  -2.640   5.831  -0.766
  119    H    ALA  16           HN       ALA  16  -0.681   7.569  -5.828
  120    HA   ALA  16           HA       ALA  16  -2.032   8.156  -8.221
  121   1HB   ALA  16           HB3      ALA  16   0.071   9.264  -7.311
  122   2HB   ALA  16           HB2      ALA  16   0.972   7.915  -7.999
  123   3HB   ALA  16           HB1      ALA  16   0.051   8.987  -9.055
  124    H    GLY  17           HN       GLY  17   0.639   5.822  -7.852
  125   1HA   GLY  17           HA2      GLY  17   0.531   4.699 -10.415
  126   2HA   GLY  17           HA1      GLY  17   1.076   3.833  -8.982
  127    H    LEU  18           HN       LEU  18  -1.213   3.549  -7.502
  128    HA   LEU  18           HA       LEU  18  -2.570   1.427  -8.890
  129   1HB   LEU  18           HB2      LEU  18  -3.128   2.921  -6.324
  130   2HB   LEU  18           HB1      LEU  18  -4.145   1.592  -6.868
  131    HG   LEU  18           HG       LEU  18  -1.157   1.221  -6.660
  132   1HD1  LEU  18          HD12      LEU  18  -2.036   2.095  -4.465
  133   2HD1  LEU  18          HD11      LEU  18  -3.146   0.725  -4.425
  134   3HD1  LEU  18          HD13      LEU  18  -1.406   0.454  -4.376
  135   1HD2  LEU  18          HD21      LEU  18  -3.567  -0.622  -6.463
  136   2HD2  LEU  18          HD23      LEU  18  -2.414  -0.548  -7.793
  137   3HD2  LEU  18          HD22      LEU  18  -1.901  -1.138  -6.217
  138    H    LYS  19           HN       LYS  19  -3.761   4.588  -7.778
  139    HA   LYS  19           HA       LYS  19  -6.330   4.472  -8.908
  140   1HB   LYS  19           HB2      LYS  19  -5.316   6.207  -7.308
  141   2HB   LYS  19           HB1      LYS  19  -4.706   7.008  -8.753
  142   1HG   LYS  19           HG2      LYS  19  -6.980   7.219  -9.637
  143   2HG   LYS  19           HG1      LYS  19  -7.620   6.331  -8.252
  144   1HD   LYS  19           HD2      LYS  19  -7.908   8.751  -7.926
  145   2HD   LYS  19           HD1      LYS  19  -6.787   8.095  -6.737
  146   1HE   LYS  19           HE2      LYS  19  -5.659   9.161  -9.309
  147   2HE   LYS  19           HE1      LYS  19  -6.183  10.307  -8.075
  148   1HZ   LYS  19           HZ3      LYS  19  -4.806   8.464  -6.655
  149   2HZ   LYS  19           HZ2      LYS  19  -3.909   8.558  -8.095
  150   3HZ   LYS  19           HZ1      LYS  19  -4.194   9.958  -7.176
  151    H    LYS  20           HN       LYS  20  -3.383   4.541 -10.635
  152    HA   LYS  20           HA       LYS  20  -4.071   6.192 -12.837
  153   1HB   LYS  20           HB2      LYS  20  -2.267   3.811 -12.527
  154   2HB   LYS  20           HB1      LYS  20  -2.661   4.331 -14.160
  155   1HG   LYS  20           HG2      LYS  20  -1.848   6.594 -13.655
  156   2HG   LYS  20           HG1      LYS  20  -1.473   6.100 -12.008
  157   1HD   LYS  20           HD2      LYS  20   0.115   4.415 -12.870
  158   2HD   LYS  20           HD1      LYS  20  -0.252   4.922 -14.519
  159   1HE   LYS  20           HE2      LYS  20   1.839   5.963 -13.585
  160   2HE   LYS  20           HE1      LYS  20   0.632   7.138 -14.105
  161   1HZ   LYS  20           HZ1      LYS  20   0.208   6.369 -11.406
  162   2HZ   LYS  20           HZ3      LYS  20   1.791   6.942 -11.615
  163   3HZ   LYS  20           HZ2      LYS  20   0.471   7.918 -12.054
  164    H    ARG  21           HN       ARG  21  -5.160   3.046 -11.892
  165    HA   ARG  21           HA       ARG  21  -6.680   2.714 -14.426
  166   1HB   ARG  21           HB2      ARG  21  -6.161   0.971 -11.999
  167   2HB   ARG  21           HB1      ARG  21  -7.445   0.583 -13.144
  168   1HG   ARG  21           HG2      ARG  21  -5.886   0.371 -14.955
  169   2HG   ARG  21           HG1      ARG  21  -4.576   1.049 -13.987
  170   1HD   ARG  21           HD2      ARG  21  -4.399  -1.411 -14.126
  171   2HD   ARG  21           HD1      ARG  21  -4.684  -0.890 -12.465
  172    HE   ARG  21           HE       ARG  21  -7.226  -1.373 -13.466
  173   1HH1  ARG  21          HH21      ARG  21  -4.249  -3.085 -13.205
  174   2HH1  ARG  21          HH22      ARG  21  -4.995  -4.643 -13.099
  175   1HH2  ARG  21          HH11      ARG  21  -8.228  -3.400 -13.336
  176   2HH2  ARG  21          HH12      ARG  21  -7.250  -4.822 -13.175
  177    H    LYS  22           HN       LYS  22  -7.950   1.637 -11.394
  178    HA   LYS  22           HA       LYS  22  -9.530   4.039 -10.934
  179   1HB   LYS  22           HB2      LYS  22 -10.600   2.090 -12.699
  180   2HB   LYS  22           HB1      LYS  22 -11.457   1.827 -11.190
  181   1HG   LYS  22           HG2      LYS  22 -11.944   4.306 -11.125
  182   2HG   LYS  22           HG1      LYS  22 -11.253   4.422 -12.742
  183   1HD   LYS  22           HD2      LYS  22 -13.655   2.761 -11.927
  184   2HD   LYS  22           HD1      LYS  22 -13.673   4.213 -12.925
  185   1HE   LYS  22           HE2      LYS  22 -13.727   2.546 -14.557
  186   2HE   LYS  22           HE1      LYS  22 -11.992   2.841 -14.436
  187   1HZ   LYS  22           HZ1      LYS  22 -12.366   1.023 -12.509
  188   2HZ   LYS  22           HZ3      LYS  22 -13.536   0.530 -13.634
  189   3HZ   LYS  22           HZ2      LYS  22 -11.907   0.644 -14.100
  190    H    LEU  23           HN       LEU  23  -7.826   3.240  -9.169
  191    HA   LEU  23           HA       LEU  23  -9.314   1.567  -7.154
  192   1HB   LEU  23           HB2      LEU  23  -6.331   1.929  -7.456
  193   2HB   LEU  23           HB1      LEU  23  -7.126   0.936  -6.243
  194    HG   LEU  23           HG       LEU  23  -7.217   0.498  -9.245
  195   1HD1  LEU  23          HD12      LEU  23  -5.829  -0.969  -6.979
  196   2HD1  LEU  23          HD11      LEU  23  -5.909  -1.547  -8.646
  197   3HD1  LEU  23          HD13      LEU  23  -5.049  -0.054  -8.273
  198   1HD2  LEU  23          HD23      LEU  23  -8.568  -0.866  -6.907
  199   2HD2  LEU  23          HD22      LEU  23  -9.279  -0.350  -8.436
  200   3HD2  LEU  23          HD21      LEU  23  -8.222  -1.756  -8.386
  201    H    SER  24           HN       SER  24  -9.389   2.332  -5.060
  202    HA   SER  24           HA       SER  24  -7.891   4.759  -4.306
  203   1HB   SER  24           HB2      SER  24 -10.027   5.872  -3.540
  204   2HB   SER  24           HB1      SER  24  -9.859   5.767  -5.292
  205    HG   SER  24           HG       SER  24 -11.003   3.537  -4.285
  206    H    LEU  25           HN       LEU  25  -7.310   4.536  -2.130
  207    HA   LEU  25           HA       LEU  25  -7.774   2.202  -0.655
  208   1HB   LEU  25           HB2      LEU  25  -7.537   4.993   0.512
  209   2HB   LEU  25           HB1      LEU  25  -7.286   3.485   1.392
  210    HG   LEU  25           HG       LEU  25  -5.656   4.341  -1.024
  211   1HD1  LEU  25          HD12      LEU  25  -5.217   4.650   1.955
  212   2HD1  LEU  25          HD11      LEU  25  -3.876   4.679   0.819
  213   3HD1  LEU  25          HD13      LEU  25  -5.144   5.894   0.711
  214   1HD2  LEU  25          HD23      LEU  25  -5.556   2.015   0.913
  215   2HD2  LEU  25          HD22      LEU  25  -5.484   1.984  -0.848
  216   3HD2  LEU  25          HD21      LEU  25  -4.098   2.543   0.077
  217    H    SER  26           HN       SER  26 -10.032   4.674  -1.381
  218    HA   SER  26           HA       SER  26 -11.794   4.221   0.887
  219   1HB   SER  26           HB2      SER  26 -13.426   5.536  -0.497
  220   2HB   SER  26           HB1      SER  26 -11.884   6.355  -0.262
  221    HG   SER  26           HG       SER  26 -12.201   6.479  -2.403
  222    H    ALA  27           HN       ALA  27 -11.736   3.149  -2.506
  223    HA   ALA  27           HA       ALA  27 -14.184   1.622  -2.278
  224   1HB   ALA  27           HB1      ALA  27 -13.100   2.486  -4.430
  225   2HB   ALA  27           HB3      ALA  27 -11.964   1.147  -4.274
  226   3HB   ALA  27           HB2      ALA  27 -13.685   0.823  -4.471
  227    H    LEU  28           HN       LEU  28 -10.726   0.806  -2.077
  228    HA   LEU  28           HA       LEU  28 -11.070  -2.015  -1.819
  229   1HB   LEU  28           HB2      LEU  28  -8.899  -0.086  -0.988
  230   2HB   LEU  28           HB1      LEU  28  -8.796  -1.796  -0.564
  231    HG   LEU  28           HG       LEU  28  -8.937  -2.439  -2.894
  232   1HD1  LEU  28          HD12      LEU  28  -9.448   0.506  -3.309
  233   2HD1  LEU  28          HD11      LEU  28  -8.844  -0.510  -4.617
  234   3HD1  LEU  28          HD13      LEU  28 -10.401  -0.867  -3.875
  235   1HD2  LEU  28          HD21      LEU  28  -6.731  -1.580  -1.838
  236   2HD2  LEU  28          HD23      LEU  28  -6.793  -1.714  -3.593
  237   3HD2  LEU  28          HD22      LEU  28  -6.979  -0.139  -2.823
  238    H    SER  29           HN       SER  29 -11.379   0.609   0.468
  239    HA   SER  29           HA       SER  29 -11.233  -0.970   2.869
  240   1HB   SER  29           HB2      SER  29 -12.186   0.951   3.978
  241   2HB   SER  29           HB1      SER  29 -11.064   1.536   2.752
  242    HG   SER  29           HG       SER  29 -13.894   1.419   2.660
  243    H    ARG  30           HN       ARG  30 -14.124   0.366   1.197
  244    HA   ARG  30           HA       ARG  30 -15.971  -1.150   2.787
  245   1HB   ARG  30           HB2      ARG  30 -17.611  -0.523   0.965
  246   2HB   ARG  30           HB1      ARG  30 -16.757   0.840   1.688
  247   1HG   ARG  30           HG2      ARG  30 -15.217   0.952  -0.163
  248   2HG   ARG  30           HG1      ARG  30 -15.843  -0.552  -0.839
  249   1HD   ARG  30           HD2      ARG  30 -16.800   1.314  -2.067
  250   2HD   ARG  30           HD1      ARG  30 -18.071   0.553  -1.105
  251    HE   ARG  30           HE       ARG  30 -17.141   2.549   0.557
  252   1HH1  ARG  30          HH21      ARG  30 -18.204   2.342  -2.714
  253   2HH1  ARG  30          HH22      ARG  30 -18.848   3.950  -2.749
  254   1HH2  ARG  30          HH11      ARG  30 -17.976   4.651   0.535
  255   2HH2  ARG  30          HH12      ARG  30 -18.718   5.259  -0.906
  256    H    GLN  31           HN       GLN  31 -14.072  -2.003   0.018
  257    HA   GLN  31           HA       GLN  31 -15.764  -4.070  -1.031
  258   1HB   GLN  31           HB2      GLN  31 -12.865  -3.354  -1.235
  259   2HB   GLN  31           HB1      GLN  31 -13.339  -4.964  -1.762
  260   1HG   GLN  31           HG2      GLN  31 -15.023  -3.965  -3.280
  261   2HG   GLN  31           HG1      GLN  31 -14.514  -2.351  -2.770
  262   1HE2  GLN  31          HE22      GLN  31 -11.100  -3.572  -4.204
  263   2HE2  GLN  31          HE21      GLN  31 -11.635  -3.648  -2.595
  264    H    PHE  32           HN       PHE  32 -13.170  -4.159   1.439
  265    HA   PHE  32           HA       PHE  32 -13.843  -7.028   1.969
  266   1HB   PHE  32           HB2      PHE  32 -11.518  -5.296   2.865
  267   2HB   PHE  32           HB1      PHE  32 -11.764  -6.971   3.363
  268    HD1  PHE  32           HD1      PHE  32 -11.145  -4.756   0.438
  269    HD2  PHE  32           HD2      PHE  32 -11.327  -8.812   1.879
  270    HE1  PHE  32           HE1      PHE  32 -10.124  -5.554  -1.685
  271    HE2  PHE  32           HE2      PHE  32 -10.302  -9.610  -0.243
  272    HZ   PHE  32           HZ       PHE  32  -9.704  -7.981  -2.026
  273    H    GLY  33           HN       GLY  33 -14.016  -3.822   3.416
  274   1HA   GLY  33           HA2      GLY  33 -15.921  -3.635   5.078
  275   2HA   GLY  33           HA1      GLY  33 -15.239  -5.047   5.869
  276    H    TYR  34           HN       TYR  34 -12.464  -4.273   5.735
  277    HA   TYR  34           HA       TYR  34 -12.151  -2.874   8.113
  278   1HB   TYR  34           HB2      TYR  34 -10.213  -2.489   5.827
  279   2HB   TYR  34           HB1      TYR  34  -9.866  -2.530   7.556
  280    HD1  TYR  34           HD2      TYR  34 -11.167  -4.868   8.617
  281    HD2  TYR  34           HD1      TYR  34  -9.288  -4.358   4.771
  282    HE1  TYR  34           HE2      TYR  34 -10.808  -7.318   8.468
  283    HE2  TYR  34           HE1      TYR  34  -8.934  -6.807   4.629
  284    HH   TYR  34           HH       TYR  34 -10.115  -9.005   7.177
  285    H    ALA  35           HN       ALA  35 -12.544  -0.848   8.751
  286    HA   ALA  35           HA       ALA  35 -13.815   1.096   7.236
  287   1HB   ALA  35           HB3      ALA  35 -12.688   0.908   9.856
  288   2HB   ALA  35           HB2      ALA  35 -12.141   2.440   9.179
  289   3HB   ALA  35           HB1      ALA  35 -13.866   2.089   9.290
  290    HA   PRO  36           HA       PRO  36 -10.873   3.009   4.595
  291   1HB   PRO  36           HB2      PRO  36 -11.257   5.758   5.272
  292   2HB   PRO  36           HB1      PRO  36 -12.087   4.858   3.997
  293   1HG   PRO  36           HG2      PRO  36 -13.136   5.724   6.608
  294   2HG   PRO  36           HG1      PRO  36 -14.025   5.116   5.203
  295   1HD   PRO  36           HD2      PRO  36 -13.529   3.695   7.620
  296   2HD   PRO  36           HD1      PRO  36 -14.170   3.017   6.107
  297    H    THR  37           HN       THR  37 -10.870   4.104   7.961
  298    HA   THR  37           HA       THR  37  -8.285   5.327   7.952
  299    HB   THR  37           HB       THR  37  -8.424   5.299  10.320
  300    HG1  THR  37           HG1      THR  37 -10.411   3.312  10.256
  301   1HG2  THR  37          HG23      THR  37 -10.306   6.502   9.109
  302   2HG2  THR  37          HG22      THR  37 -11.317   5.103   9.462
  303   3HG2  THR  37          HG21      THR  37 -10.649   6.061  10.781
  304    H    THR  38           HN       THR  38  -9.319   1.973   8.528
  305    HA   THR  38           HA       THR  38  -6.835   0.912   9.365
  306    HB   THR  38           HB       THR  38  -9.094  -0.313   7.759
  307    HG1  THR  38           HG1      THR  38  -8.305  -0.164  10.439
  308   1HG2  THR  38          HG23      THR  38  -6.438  -1.461   8.540
  309   2HG2  THR  38          HG22      THR  38  -7.861  -2.481   8.744
  310   3HG2  THR  38          HG21      THR  38  -7.460  -1.837   7.152
  311    H    LEU  39           HN       LEU  39  -8.132   0.747   6.022
  312    HA   LEU  39           HA       LEU  39  -5.828  -0.177   4.777
  313   1HB   LEU  39           HB2      LEU  39  -8.307   0.923   3.950
  314   2HB   LEU  39           HB1      LEU  39  -7.099   1.877   3.112
  315    HG   LEU  39           HG       LEU  39  -7.604   0.099   1.649
  316   1HD1  LEU  39          HD13      LEU  39  -5.028   0.384   2.506
  317   2HD1  LEU  39          HD12      LEU  39  -5.272  -1.329   2.852
  318   3HD1  LEU  39          HD11      LEU  39  -5.501  -0.717   1.214
  319   1HD2  LEU  39          HD23      LEU  39  -8.835  -1.279   3.288
  320   2HD2  LEU  39          HD22      LEU  39  -7.715  -2.263   2.346
  321   3HD2  LEU  39          HD21      LEU  39  -7.310  -1.802   3.999
  322    H    ALA  40           HN       ALA  40  -6.713   3.275   5.132
  323    HA   ALA  40           HA       ALA  40  -4.327   4.361   4.099
  324   1HB   ALA  40           HB1      ALA  40  -6.316   5.720   4.648
  325   2HB   ALA  40           HB3      ALA  40  -6.027   5.447   6.366
  326   3HB   ALA  40           HB2      ALA  40  -4.870   6.378   5.413
  327    H    ASN  41           HN       ASN  41  -5.084   3.901   7.567
  328    HA   ASN  41           HA       ASN  41  -2.489   4.466   8.538
  329   1HB   ASN  41           HB2      ASN  41  -4.538   4.281   9.948
  330   2HB   ASN  41           HB1      ASN  41  -4.504   2.529   9.725
  331   1HD2  ASN  41          HD22      ASN  41  -1.061   3.724  11.540
  332   2HD2  ASN  41          HD21      ASN  41  -1.453   4.268   9.981
  333    H    ALA  42           HN       ALA  42  -3.547   1.765   6.710
  334    HA   ALA  42           HA       ALA  42  -1.704  -0.194   7.796
  335   1HB   ALA  42           HB3      ALA  42  -3.808  -0.605   6.334
  336   2HB   ALA  42           HB2      ALA  42  -2.762  -0.220   4.966
  337   3HB   ALA  42           HB1      ALA  42  -2.382  -1.589   6.006
  338    H    LEU  43           HN       LEU  43  -0.995   2.651   6.416
  339    HA   LEU  43           HA       LEU  43   1.065   1.743   4.527
  340   1HB   LEU  43           HB2      LEU  43   0.235   4.466   5.545
  341   2HB   LEU  43           HB1      LEU  43   1.584   4.233   4.433
  342    HG   LEU  43           HG       LEU  43  -1.124   3.057   3.788
  343   1HD1  LEU  43          HD11      LEU  43  -1.501   5.449   4.306
  344   2HD1  LEU  43          HD13      LEU  43  -0.229   5.887   3.166
  345   3HD1  LEU  43          HD12      LEU  43  -1.706   5.122   2.586
  346   1HD2  LEU  43          HD23      LEU  43   1.236   4.051   2.150
  347   2HD2  LEU  43          HD22      LEU  43   0.716   2.377   2.343
  348   3HD2  LEU  43          HD21      LEU  43  -0.288   3.515   1.449
  349    H    GLU  44           HN       GLU  44   0.918   2.858   7.873
  350    HA   GLU  44           HA       GLU  44   3.873   2.367   8.073
  351   1HB   GLU  44           HB2      GLU  44   3.955   4.213   9.761
  352   2HB   GLU  44           HB1      GLU  44   3.554   4.775   8.139
  353   1HG   GLU  44           HG2      GLU  44   1.131   4.686   8.755
  354   2HG   GLU  44           HG1      GLU  44   1.602   4.262  10.403
  355    H    ARG  45           HN       ARG  45   0.741   1.690   9.243
  356    HA   ARG  45           HA       ARG  45   1.530   1.040  11.969
  357   1HB   ARG  45           HB2      ARG  45  -0.850   1.565  11.168
  358   2HB   ARG  45           HB1      ARG  45  -0.867  -0.061  10.485
  359   1HG   ARG  45           HG2      ARG  45  -1.767  -0.496  12.591
  360   2HG   ARG  45           HG1      ARG  45  -0.056  -0.756  12.925
  361   1HD   ARG  45           HD2      ARG  45  -0.037   1.797  13.510
  362   2HD   ARG  45           HD1      ARG  45  -1.785   1.602  13.644
  363    HE   ARG  45           HE       ARG  45  -0.803  -0.466  15.182
  364   1HH1  ARG  45          HH21      ARG  45  -0.256   2.927  14.955
  365   2HH1  ARG  45          HH22      ARG  45   0.080   3.123  16.643
  366   1HH2  ARG  45          HH11      ARG  45  -0.369  -0.238  17.387
  367   2HH2  ARG  45          HH12      ARG  45   0.013   1.326  18.024
  368    H    HIS  46           HN       HIS  46   2.080  -0.999  12.782
  369    HA   HIS  46           HA       HIS  46   3.383  -2.824  10.994
  370   1HB   HIS  46           HB2      HIS  46   3.603  -4.275  12.975
  371   2HB   HIS  46           HB1      HIS  46   3.981  -2.601  13.391
  372    HD1  HIS  46           HD1      HIS  46   1.842  -5.379  14.365
  373    HD2  HIS  46           HD2      HIS  46   1.620  -1.223  14.615
  374    HE1  HIS  46           HE1      HIS  46   0.034  -4.858  16.059
  375    H    TRP  47           HN       TRP  47   1.747  -3.355   9.407
  376    HA   TRP  47           HA       TRP  47   0.136  -5.668  10.170
  377   1HB   TRP  47           HB2      TRP  47  -1.333  -3.756  10.825
  378   2HB   TRP  47           HB1      TRP  47  -1.273  -3.175   9.162
  379    HD1  TRP  47           HD1      TRP  47  -1.814  -6.766  10.548
  380    HE1  TRP  47           HE1      TRP  47  -3.940  -7.721   9.472
  381    HE3  TRP  47           HE3      TRP  47  -3.339  -2.701   7.830
  382    HZ2  TRP  47           HZ2      TRP  47  -6.026  -6.894   7.700
  383    HZ3  TRP  47           HZ3      TRP  47  -5.410  -2.815   6.457
  384    HH2  TRP  47           HH2      TRP  47  -6.757  -4.908   6.392
  385    HA   PRO  48           HA       PRO  48   1.974  -5.415   5.890
  386   1HB   PRO  48           HB2      PRO  48   2.553  -8.268   6.260
  387   2HB   PRO  48           HB1      PRO  48   3.679  -6.935   5.958
  388   1HG   PRO  48           HG2      PRO  48   3.366  -8.306   8.414
  389   2HG   PRO  48           HG1      PRO  48   4.220  -6.769   8.184
  390   1HD   PRO  48           HD2      PRO  48   1.608  -7.247   9.449
  391   2HD   PRO  48           HD1      PRO  48   2.614  -5.776   9.494
  392    H    LYS  49           HN       LYS  49  -0.555  -7.272   7.388
  393    HA   LYS  49           HA       LYS  49  -1.321  -8.718   4.991
  394   1HB   LYS  49           HB2      LYS  49  -1.989  -9.334   7.380
  395   2HB   LYS  49           HB1      LYS  49  -3.144  -8.007   7.303
  396   1HG   LYS  49           HG2      LYS  49  -4.472  -9.797   6.611
  397   2HG   LYS  49           HG1      LYS  49  -3.918  -9.165   5.063
  398   1HD   LYS  49           HD2      LYS  49  -2.166 -10.861   4.948
  399   2HD   LYS  49           HD1      LYS  49  -2.573 -11.435   6.565
  400   1HE   LYS  49           HE2      LYS  49  -4.488 -11.450   4.217
  401   2HE   LYS  49           HE1      LYS  49  -3.549 -12.846   4.744
  402   1HZ   LYS  49           HZ2      LYS  49  -4.940 -11.591   6.899
  403   2HZ   LYS  49           HZ1      LYS  49  -6.000 -12.113   5.679
  404   3HZ   LYS  49           HZ3      LYS  49  -4.944 -13.218   6.413
  405    H    GLY  50           HN       GLY  50  -1.824  -5.494   6.166
  406   1HA   GLY  50           HA2      GLY  50  -4.152  -4.900   4.514
  407   2HA   GLY  50           HA1      GLY  50  -3.112  -3.707   5.303
  408    H    GLU  51           HN       GLU  51  -0.677  -4.920   4.086
  409    HA   GLU  51           HA       GLU  51  -0.637  -3.351   1.653
  410   1HB   GLU  51           HB2      GLU  51   1.339  -5.490   2.495
  411   2HB   GLU  51           HB1      GLU  51   1.639  -4.117   1.431
  412   1HG   GLU  51           HG2      GLU  51   1.190  -2.575   3.322
  413   2HG   GLU  51           HG1      GLU  51   0.962  -3.966   4.380
  414    H    GLN  52           HN       GLN  52  -1.077  -6.744   2.476
  415    HA   GLN  52           HA       GLN  52  -0.816  -7.853  -0.139
  416   1HB   GLN  52           HB2      GLN  52  -2.474  -8.702   2.250
  417   2HB   GLN  52           HB1      GLN  52  -2.352  -9.662   0.775
  418   1HG   GLN  52           HG2      GLN  52   0.110  -8.728   2.263
  419   2HG   GLN  52           HG1      GLN  52  -0.708 -10.233   2.680
  420   1HE2  GLN  52          HE22      GLN  52   1.790 -11.289   0.211
  421   2HE2  GLN  52          HE21      GLN  52   1.724 -10.824   1.843
  422    H    ILE  53           HN       ILE  53  -3.611  -6.435   1.564
  423    HA   ILE  53           HA       ILE  53  -5.606  -6.963  -0.381
  424    HB   ILE  53           HB       ILE  53  -5.254  -4.502   1.366
  425   1HG1  ILE  53          HG12      ILE  53  -6.984  -6.966   1.763
  426   2HG1  ILE  53          HG11      ILE  53  -5.412  -6.737   2.528
  427   1HG2  ILE  53          HG22      ILE  53  -7.633  -5.534  -0.209
  428   2HG2  ILE  53          HG21      ILE  53  -7.742  -4.280   1.027
  429   3HG2  ILE  53          HG23      ILE  53  -6.801  -3.994  -0.432
  430   1HD1  ILE  53          HD13      ILE  53  -6.502  -4.433   3.318
  431   2HD1  ILE  53          HD12      ILE  53  -8.006  -5.319   3.065
  432   3HD1  ILE  53          HD11      ILE  53  -6.808  -5.924   4.205
  433    H    ILE  54           HN       ILE  54  -3.389  -4.178  -0.102
  434    HA   ILE  54           HA       ILE  54  -4.258  -2.866  -2.490
  435    HB   ILE  54           HB       ILE  54  -1.644  -2.791  -0.962
  436   1HG1  ILE  54          HG12      ILE  54  -3.913  -0.789  -1.190
  437   2HG1  ILE  54          HG11      ILE  54  -3.761  -1.957   0.123
  438   1HG2  ILE  54          HG21      ILE  54  -2.573  -1.267  -3.392
  439   2HG2  ILE  54          HG23      ILE  54  -1.379  -0.588  -2.289
  440   3HG2  ILE  54          HG22      ILE  54  -1.036  -2.089  -3.142
  441   1HD1  ILE  54          HD12      ILE  54  -1.292  -0.869   0.281
  442   2HD1  ILE  54          HD11      ILE  54  -2.147   0.509  -0.412
  443   3HD1  ILE  54          HD13      ILE  54  -2.674  -0.173   1.124
  444    H    ALA  55           HN       ALA  55  -1.431  -5.002  -1.911
  445    HA   ALA  55           HA       ALA  55  -0.499  -5.014  -4.592
  446   1HB   ALA  55           HB3      ALA  55  -0.285  -6.995  -2.326
  447   2HB   ALA  55           HB2      ALA  55   0.420  -7.345  -3.904
  448   3HB   ALA  55           HB1      ALA  55   0.965  -5.942  -2.983
  449    H    ASN  56           HN       ASN  56  -3.061  -6.854  -3.019
  450    HA   ASN  56           HA       ASN  56  -3.459  -8.861  -4.978
  451   1HB   ASN  56           HB2      ASN  56  -4.641  -8.862  -2.813
  452   2HB   ASN  56           HB1      ASN  56  -5.566  -7.444  -3.314
  453   1HD2  ASN  56          HD22      ASN  56  -6.724 -11.109  -4.562
  454   2HD2  ASN  56          HD21      ASN  56  -5.438 -10.899  -3.475
  455    H    ALA  57           HN       ALA  57  -4.586  -5.499  -4.874
  456    HA   ALA  57           HA       ALA  57  -6.352  -5.638  -7.097
  457   1HB   ALA  57           HB3      ALA  57  -5.993  -3.696  -5.441
  458   2HB   ALA  57           HB2      ALA  57  -4.650  -3.220  -6.483
  459   3HB   ALA  57           HB1      ALA  57  -6.293  -3.270  -7.124
  460    H    LEU  58           HN       LEU  58  -2.834  -5.074  -7.002
  461    HA   LEU  58           HA       LEU  58  -2.748  -4.836  -9.950
  462   1HB   LEU  58           HB2      LEU  58  -0.571  -4.871  -7.840
  463   2HB   LEU  58           HB1      LEU  58  -0.284  -4.630  -9.553
  464    HG   LEU  58           HG       LEU  58  -2.195  -2.857  -8.033
  465   1HD1  LEU  58          HD11      LEU  58   0.821  -2.642  -8.256
  466   2HD1  LEU  58          HD13      LEU  58  -0.202  -1.264  -7.861
  467   3HD1  LEU  58          HD12      LEU  58  -0.151  -2.659  -6.786
  468   1HD2  LEU  58          HD21      LEU  58  -0.561  -2.580 -10.584
  469   2HD2  LEU  58          HD23      LEU  58  -2.320  -2.625 -10.440
  470   3HD2  LEU  58          HD22      LEU  58  -1.423  -1.239  -9.838
  471    H    GLU  59           HN       GLU  59  -3.147  -7.339  -7.900
  472    HA   GLU  59           HA       GLU  59  -2.710  -9.637  -8.020
  473   1HB   GLU  59           HB2      GLU  59  -1.973  -9.054 -10.903
  474   2HB   GLU  59           HB1      GLU  59  -2.531 -10.586 -10.233
  475   1HG   GLU  59           HG2      GLU  59  -4.674  -9.422  -9.578
  476   2HG   GLU  59           HG1      GLU  59  -4.119  -8.021 -10.493
  477    H    THR  60           HN       THR  60  -0.503  -7.600  -7.513
  478    HA   THR  60           HA       THR  60   1.852  -9.309  -8.273
  479    HB   THR  60           HB       THR  60   1.812  -6.879  -9.043
  480    HG1  THR  60           HG1      THR  60   3.759  -8.240  -7.684
  481   1HG2  THR  60          HG22      THR  60   0.886  -6.216  -6.638
  482   2HG2  THR  60          HG21      THR  60   2.603  -6.140  -6.246
  483   3HG2  THR  60          HG23      THR  60   1.947  -5.117  -7.526
  484    H    LYS  61           HN       LYS  61   3.687  -8.506  -6.414
  485    HA   LYS  61           HA       LYS  61   2.493  -9.491  -3.868
  486   1HB   LYS  61           HB2      LYS  61   5.453  -9.373  -4.454
  487   2HB   LYS  61           HB1      LYS  61   4.603 -10.415  -3.318
  488   1HG   LYS  61           HG2      LYS  61   3.653 -11.724  -5.110
  489   2HG   LYS  61           HG1      LYS  61   4.255 -10.606  -6.329
  490   1HD   LYS  61           HD2      LYS  61   6.297 -11.793  -4.486
  491   2HD   LYS  61           HD1      LYS  61   5.578 -12.876  -5.674
  492   1HE   LYS  61           HE2      LYS  61   7.654 -11.765  -6.509
  493   2HE   LYS  61           HE1      LYS  61   6.240 -11.400  -7.494
  494   1HZ   LYS  61           HZ1      LYS  61   7.177  -9.649  -5.295
  495   2HZ   LYS  61           HZ3      LYS  61   7.673  -9.455  -6.904
  496   3HZ   LYS  61           HZ2      LYS  61   6.033  -9.285  -6.497
  497    HA   PRO  62           HA       PRO  62   3.222  -5.459  -2.127
  498   1HB   PRO  62           HB2      PRO  62   4.027  -6.321   0.486
  499   2HB   PRO  62           HB1      PRO  62   2.398  -5.850  -0.022
  500   1HG   PRO  62           HG2      PRO  62   3.432  -8.548   0.519
  501   2HG   PRO  62           HG1      PRO  62   1.755  -8.031   0.293
  502   1HD   PRO  62           HD2      PRO  62   3.330  -9.504  -1.574
  503   2HD   PRO  62           HD1      PRO  62   1.748  -8.754  -1.879
  504    H    GLU  63           HN       GLU  63   5.592  -8.024  -1.919
  505    HA   GLU  63           HA       GLU  63   7.841  -6.539  -0.986
  506   1HB   GLU  63           HB2      GLU  63   7.974  -8.785  -3.008
  507   2HB   GLU  63           HB1      GLU  63   9.178  -8.343  -1.795
  508   1HG   GLU  63           HG2      GLU  63   7.486  -8.900  -0.015
  509   2HG   GLU  63           HG1      GLU  63   6.429  -9.518  -1.285
  510    H    VAL  64           HN       VAL  64   6.064  -6.163  -3.831
  511    HA   VAL  64           HA       VAL  64   8.353  -5.211  -5.461
  512    HB   VAL  64           HB       VAL  64   5.389  -5.156  -6.097
  513   1HG1  VAL  64          HG13      VAL  64   7.869  -5.042  -7.839
  514   2HG1  VAL  64          HG12      VAL  64   6.206  -5.061  -8.427
  515   3HG1  VAL  64          HG11      VAL  64   6.795  -3.689  -7.487
  516   1HG2  VAL  64          HG21      VAL  64   7.488  -7.277  -6.636
  517   2HG2  VAL  64          HG23      VAL  64   6.031  -7.455  -5.659
  518   3HG2  VAL  64          HG22      VAL  64   5.901  -7.237  -7.403
  519    H    ILE  65           HN       ILE  65   5.605  -3.966  -3.642
  520    HA   ILE  65           HA       ILE  65   6.073  -1.197  -4.541
  521    HB   ILE  65           HB       ILE  65   4.186  -2.364  -2.482
  522   1HG1  ILE  65          HG12      ILE  65   3.317  -1.208  -5.125
  523   2HG1  ILE  65          HG11      ILE  65   3.993  -2.839  -5.105
  524   1HG2  ILE  65          HG22      ILE  65   4.462   0.425  -3.606
  525   2HG2  ILE  65          HG21      ILE  65   3.021  -0.132  -2.760
  526   3HG2  ILE  65          HG23      ILE  65   4.570  -0.067  -1.918
  527   1HD1  ILE  65          HD13      ILE  65   2.330  -3.479  -3.357
  528   2HD1  ILE  65          HD12      ILE  65   1.615  -1.872  -3.479
  529   3HD1  ILE  65          HD11      ILE  65   1.564  -2.967  -4.860
  530    H    TRP  66           HN       TRP  66   7.193  -3.306  -2.072
  531    HA   TRP  66           HA       TRP  66   8.525  -1.005  -0.703
  532   1HB   TRP  66           HB2      TRP  66   6.937  -3.236   0.587
  533   2HB   TRP  66           HB1      TRP  66   8.097  -2.260   1.480
  534    HD1  TRP  66           HD1      TRP  66   7.643   0.445   1.478
  535    HE1  TRP  66           HE1      TRP  66   5.415   1.741   1.433
  536    HE3  TRP  66           HE3      TRP  66   4.518  -3.264  -0.138
  537    HZ2  TRP  66           HZ2      TRP  66   2.655   1.266   0.793
  538    HZ3  TRP  66           HZ3      TRP  66   2.092  -2.819  -0.461
  539    HH2  TRP  66           HH2      TRP  66   1.160  -0.561   0.003
  540    HA   PRO  67           HA       PRO  67  11.384  -4.578  -1.645
  541   1HB   PRO  67           HB2      PRO  67  13.149  -3.070  -3.222
  542   2HB   PRO  67           HB1      PRO  67  11.839  -4.087  -3.850
  543   1HG   PRO  67           HG2      PRO  67  11.987  -1.133  -3.708
  544   2HG   PRO  67           HG1      PRO  67  10.932  -2.146  -4.701
  545   1HD   PRO  67           HD2      PRO  67  10.198  -0.737  -2.323
  546   2HD   PRO  67           HD1      PRO  67   9.205  -1.903  -3.215
  547    H    SER  68           HN       SER  68  12.071  -1.157  -0.849
  548    HA   SER  68           HA       SER  68  14.660  -1.863   0.360
  549   1HB   SER  68           HB2      SER  68  13.385   0.831   0.728
  550   2HB   SER  68           HB1      SER  68  15.079   0.418   0.465
  551    HG   SER  68           HG       SER  68  13.429  -0.358  -1.577
  552    H    ARG  69           HN       ARG  69  11.425  -1.765   1.508
  553    HA   ARG  69           HA       ARG  69  12.295  -1.279   4.323
  554   1HB   ARG  69           HB2      ARG  69   9.627  -1.447   2.944
  555   2HB   ARG  69           HB1      ARG  69   9.721  -1.640   4.691
  556   1HG   ARG  69           HG2      ARG  69  10.873   0.555   4.848
  557   2HG   ARG  69           HG1      ARG  69  10.763   0.732   3.105
  558   1HD   ARG  69           HD2      ARG  69   8.648   1.544   3.269
  559   2HD   ARG  69           HD1      ARG  69   8.114   0.134   4.170
  560    HE   ARG  69           HE       ARG  69   8.475   2.741   5.228
  561   1HH1  ARG  69          HH21      ARG  69   9.472  -0.481   5.952
  562   2HH1  ARG  69          HH22      ARG  69   9.734  -0.153   7.629
  563   1HH2  ARG  69          HH11      ARG  69   8.802   3.170   7.397
  564   2HH2  ARG  69          HH12      ARG  69   9.350   1.908   8.448
  565    H    TYR  70           HN       TYR  70  11.642  -3.871   2.151
  566    HA   TYR  70           HA       TYR  70  11.534  -5.815   4.456
  567   1HB   TYR  70           HB2      TYR  70  10.352  -5.990   1.665
  568   2HB   TYR  70           HB1      TYR  70  10.494  -7.380   2.737
  569    HD1  TYR  70           HD2      TYR  70   9.627  -6.840   5.278
  570    HD2  TYR  70           HD1      TYR  70   8.291  -4.908   1.671
  571    HE1  TYR  70           HE2      TYR  70   7.511  -6.183   6.408
  572    HE2  TYR  70           HE1      TYR  70   6.178  -4.250   2.795
  573    HH   TYR  70           HH       TYR  70   5.084  -4.164   4.746
  574    H    GLN  71           HN       GLN  71  11.911  -7.166   1.359
  575    HA   GLN  71           HA       GLN  71  14.829  -6.998   1.278
  576   1HB   GLN  71           HB2      GLN  71  14.372  -8.697   3.069
  577   2HB   GLN  71           HB1      GLN  71  13.525  -9.675   1.878
  578   1HG   GLN  71           HG2      GLN  71  15.741 -10.549   1.940
  579   2HG   GLN  71           HG1      GLN  71  15.688  -9.556   0.484
  580   1HE2  GLN  71          HE22      GLN  71  18.272  -7.459   1.604
  581   2HE2  GLN  71          HE21      GLN  71  17.355  -8.053   0.305
  582    H    ALA  72           HN       ALA  72  13.430  -9.950   0.145
  583    HA   ALA  72           HA       ALA  72  12.751  -8.808  -2.499
  584   1HB   ALA  72           HB2      ALA  72  15.188  -9.271  -2.614
  585   2HB   ALA  72           HB1      ALA  72  14.879 -10.946  -2.156
  586   3HB   ALA  72           HB3      ALA  72  14.271 -10.327  -3.688
  587    H    GLY  73           HN       GLY  73  12.979 -11.612  -0.357
  588   1HA   GLY  73           HA2      GLY  73  10.917 -12.936   0.016
  589   2HA   GLY  73           HA1      GLY  73  10.549 -12.763  -1.700
  590    H    GLU  74           HN       GLU  74  12.587 -14.411   0.641
  591    HA   GLU  74           HA       GLU  74  13.088 -16.539  -1.374
  592   1HB   GLU  74           HB2      GLU  74  15.497 -16.632  -0.708
  593   2HB   GLU  74           HB1      GLU  74  15.079 -15.133  -1.539
  594   1HG   GLU  74           HG2      GLU  74  14.805 -14.017   0.669
  595   2HG   GLU  74           HG1      GLU  74  15.320 -15.508   1.461
   
  No H/Q in entry =         595
  Start of MODEL           3
 Raw file had  612 H/Q atoms
  Start of MODEL    3
    1   1H    CYS   1           HT1      CYS   1   6.166  17.441   2.658
    2   2H    CYS   1           HT3      CYS   1   5.556  18.918   3.223
    3   3H    CYS   1           HT2      CYS   1   7.235  18.668   3.143
    4    HA   CYS   1           HA       CYS   1   6.490  18.483   5.419
    5   1HB   CYS   1           HB2      CYS   1   4.157  17.752   4.735
    6   2HB   CYS   1           HB1      CYS   1   4.826  16.147   4.445
    7    HG   CYS   1           HG       CYS   1   5.387  15.944   6.970
    8    H    SER   2           HN       SER   2   8.259  17.160   3.164
    9    HA   SER   2           HA       SER   2   9.721  15.447   5.032
   10   1HB   SER   2           HB2      SER   2   9.679  13.505   3.357
   11   2HB   SER   2           HB1      SER   2   8.215  13.752   4.304
   12    HG   SER   2           HG       SER   2   8.672  14.837   1.717
   13    H    ASN   3           HN       ASN   3  10.171  14.529   1.796
   14    HA   ASN   3           HA       ASN   3  11.920  16.730   1.024
   15   1HB   ASN   3           HB2      ASN   3  14.005  15.397   1.034
   16   2HB   ASN   3           HB1      ASN   3  13.358  15.588   2.665
   17   1HD2  ASN   3          HD22      ASN   3  13.878  12.050   2.801
   18   2HD2  ASN   3          HD21      ASN   3  14.548  13.550   3.224
   19    H    GLU   4           HN       GLU   4   9.737  15.590  -0.279
   20    HA   GLU   4           HA       GLU   4   9.099  14.666  -2.338
   21   1HB   GLU   4           HB2      GLU   4  10.864  16.327  -3.083
   22   2HB   GLU   4           HB1      GLU   4  12.017  14.993  -3.080
   23   1HG   GLU   4           HG2      GLU   4  10.634  13.763  -4.693
   24   2HG   GLU   4           HG1      GLU   4   9.443  15.064  -4.679
   25    H    LYS   5           HN       LYS   5   8.583  12.527  -2.156
   26    HA   LYS   5           HA       LYS   5   8.870  10.197  -1.950
   27   1HB   LYS   5           HB2      LYS   5  11.294  10.849  -3.660
   28   2HB   LYS   5           HB1      LYS   5  10.541   9.261  -3.495
   29   1HG   LYS   5           HG2      LYS   5   8.492  10.059  -4.503
   30   2HG   LYS   5           HG1      LYS   5   9.084  11.719  -4.508
   31   1HD   LYS   5           HD2      LYS   5  10.811  11.164  -6.109
   32   2HD   LYS   5           HD1      LYS   5  10.417   9.449  -6.005
   33   1HE   LYS   5           HE2      LYS   5   8.103  10.006  -6.830
   34   2HE   LYS   5           HE1      LYS   5   8.659  11.656  -7.108
   35   1HZ   LYS   5           HZ1      LYS   5  10.548  10.014  -8.262
   36   2HZ   LYS   5           HZ3      LYS   5   9.053   9.345  -8.701
   37   3HZ   LYS   5           HZ2      LYS   5   9.394  10.970  -9.065
   38    H    ALA   6           HN       ALA   6  10.960   8.529  -1.602
   39    HA   ALA   6           HA       ALA   6  13.113   9.485   0.010
   40   1HB   ALA   6           HB1      ALA   6  10.585   8.695   1.452
   41   2HB   ALA   6           HB3      ALA   6  12.162   8.496   2.219
   42   3HB   ALA   6           HB2      ALA   6  11.615  10.099   1.730
   43    H    ARG   7           HN       ARG   7  11.179   6.771   1.093
   44    HA   ARG   7           HA       ARG   7  13.343   4.931   0.237
   45   1HB   ARG   7           HB2      ARG   7  11.039   4.757   2.176
   46   2HB   ARG   7           HB1      ARG   7  11.808   3.284   1.605
   47   1HG   ARG   7           HG2      ARG   7  13.585   3.566   2.992
   48   2HG   ARG   7           HG1      ARG   7  13.835   5.226   2.453
   49   1HD   ARG   7           HD2      ARG   7  12.011   5.962   3.990
   50   2HD   ARG   7           HD1      ARG   7  11.877   4.303   4.576
   51    HE   ARG   7           HE       ARG   7  14.554   4.890   4.921
   52   1HH1  ARG   7          HH21      ARG   7  11.556   6.362   5.776
   53   2HH1  ARG   7          HH22      ARG   7  12.168   7.070   7.233
   54   1HH2  ARG   7          HH11      ARG   7  15.370   5.805   6.817
   55   2HH2  ARG   7          HH12      ARG   7  14.329   6.757   7.822
   56    H    ASP   8           HN       ASP   8  10.220   3.613   0.631
   57    HA   ASP   8           HA       ASP   8  10.278   2.455  -2.009
   58   1HB   ASP   8           HB2      ASP   8   7.926   2.488  -0.116
   59   2HB   ASP   8           HB1      ASP   8   8.339   1.273  -1.334
   60    H    TRP   9           HN       TRP   9   7.391   2.506  -2.290
   61    HA   TRP   9           HA       TRP   9   7.099   4.629  -4.198
   62   1HB   TRP   9           HB2      TRP   9   5.088   2.762  -2.880
   63   2HB   TRP   9           HB1      TRP   9   4.736   3.790  -4.259
   64    HD1  TRP   9           HD1      TRP   9   7.841   1.484  -3.660
   65    HE1  TRP   9           HE1      TRP   9   8.051  -0.093  -5.662
   66    HE3  TRP   9           HE3      TRP   9   3.635   2.798  -6.263
   67    HZ2  TRP   9           HZ2      TRP   9   6.615  -0.778  -8.035
   68    HZ3  TRP   9           HZ3      TRP   9   3.067   1.639  -8.388
   69    HH2  TRP   9           HH2      TRP   9   4.555  -0.149  -9.274
   70    H    HIS  10           HN       HIS  10   6.940   6.742  -3.473
   71    HA   HIS  10           HA       HIS  10   6.265   7.663  -0.931
   72   1HB   HIS  10           HB2      HIS  10   7.067   9.011  -2.980
   73   2HB   HIS  10           HB1      HIS  10   5.361   9.132  -3.417
   74    HD1  HIS  10           HD1      HIS  10   7.706   9.981  -0.546
   75    HD2  HIS  10           HD2      HIS  10   3.952  11.073  -1.989
   76    HE1  HIS  10           HE1      HIS  10   6.941  11.942   0.860
   77    H    ARG  11           HN       ARG  11   4.170   9.015  -0.471
   78    HA   ARG  11           HA       ARG  11   1.967   7.208  -0.308
   79   1HB   ARG  11           HB2      ARG  11   2.192  10.205   0.034
   80   2HB   ARG  11           HB1      ARG  11   0.658   9.360   0.240
   81   1HG   ARG  11           HG2      ARG  11   1.765   7.869   1.920
   82   2HG   ARG  11           HG1      ARG  11   3.217   8.861   1.787
   83   1HD   ARG  11           HD2      ARG  11   1.226  10.758   2.237
   84   2HD   ARG  11           HD1      ARG  11   0.705   9.413   3.246
   85    HE   ARG  11           HE       ARG  11   2.732  11.210   3.948
   86   1HH1  ARG  11          HH21      ARG  11   2.453   7.799   3.482
   87   2HH1  ARG  11          HH22      ARG  11   3.779   7.422   4.525
   88   1HH2  ARG  11          HH11      ARG  11   4.447  10.726   5.317
   89   2HH2  ARG  11          HH12      ARG  11   4.903   9.074   5.565
   90    H    ALA  12           HN       ALA  12   2.899   9.542  -2.749
   91    HA   ALA  12           HA       ALA  12   0.296   9.333  -4.138
   92   1HB   ALA  12           HB1      ALA  12   1.571  11.480  -4.048
   93   2HB   ALA  12           HB3      ALA  12   2.834  10.726  -5.022
   94   3HB   ALA  12           HB2      ALA  12   1.216  10.943  -5.690
   95    H    ASP  13           HN       ASP  13   3.522   7.952  -4.324
   96    HA   ASP  13           HA       ASP  13   3.275   6.970  -7.031
   97   1HB   ASP  13           HB2      ASP  13   4.943   6.069  -4.675
   98   2HB   ASP  13           HB1      ASP  13   5.056   5.317  -6.269
   99    H    VAL  14           HN       VAL  14   2.041   6.040  -3.958
  100    HA   VAL  14           HA       VAL  14   1.338   3.305  -4.705
  101    HB   VAL  14           HB       VAL  14   0.550   5.112  -2.402
  102   1HG1  VAL  14          HG12      VAL  14  -0.200   2.246  -3.008
  103   2HG1  VAL  14          HG11      VAL  14  -0.273   2.924  -1.384
  104   3HG1  VAL  14          HG13      VAL  14  -1.282   3.597  -2.663
  105   1HG2  VAL  14          HG23      VAL  14   2.359   2.684  -2.599
  106   2HG2  VAL  14          HG22      VAL  14   2.893   4.357  -2.435
  107   3HG2  VAL  14          HG21      VAL  14   2.010   3.583  -1.121
  108    H    ILE  15           HN       ILE  15  -0.612   6.234  -3.971
  109    HA   ILE  15           HA       ILE  15  -3.019   5.094  -5.104
  110    HB   ILE  15           HB       ILE  15  -2.344   7.990  -4.496
  111   1HG1  ILE  15          HG12      ILE  15  -3.983   6.154  -2.743
  112   2HG1  ILE  15          HG11      ILE  15  -2.229   6.109  -2.638
  113   1HG2  ILE  15          HG21      ILE  15  -4.315   7.716  -5.983
  114   2HG2  ILE  15          HG23      ILE  15  -5.018   6.580  -4.832
  115   3HG2  ILE  15          HG22      ILE  15  -4.801   8.270  -4.386
  116   1HD1  ILE  15          HD11      ILE  15  -2.199   8.541  -2.218
  117   2HD1  ILE  15          HD13      ILE  15  -3.963   8.554  -2.235
  118   3HD1  ILE  15          HD12      ILE  15  -3.100   7.660  -0.986
  119    H    ALA  16           HN       ALA  16  -0.672   7.523  -6.328
  120    HA   ALA  16           HA       ALA  16  -2.014   8.113  -8.742
  121   1HB   ALA  16           HB3      ALA  16   0.090   9.227  -7.866
  122   2HB   ALA  16           HB2      ALA  16   0.987   7.844  -8.496
  123   3HB   ALA  16           HB1      ALA  16   0.086   8.886  -9.596
  124    H    GLY  17           HN       GLY  17   0.233   5.460  -7.999
  125   1HA   GLY  17           HA2      GLY  17   0.132   4.370 -10.693
  126   2HA   GLY  17           HA1      GLY  17   0.822   3.579  -9.276
  127    H    LEU  18           HN       LEU  18  -1.407   3.449  -7.591
  128    HA   LEU  18           HA       LEU  18  -2.822   1.209  -8.743
  129   1HB   LEU  18           HB2      LEU  18  -3.299   2.876  -6.257
  130   2HB   LEU  18           HB1      LEU  18  -4.274   1.467  -6.663
  131    HG   LEU  18           HG       LEU  18  -1.267   1.254  -6.529
  132   1HD1  LEU  18          HD11      LEU  18  -2.080   2.223  -4.384
  133   2HD1  LEU  18          HD13      LEU  18  -3.197   0.873  -4.224
  134   3HD1  LEU  18          HD12      LEU  18  -1.457   0.588  -4.188
  135   1HD2  LEU  18          HD21      LEU  18  -3.575  -0.692  -6.157
  136   2HD2  LEU  18          HD23      LEU  18  -2.444  -0.648  -7.506
  137   3HD2  LEU  18          HD22      LEU  18  -1.882  -1.106  -5.904
  138    H    LYS  19           HN       LYS  19  -3.917   4.446  -7.767
  139    HA   LYS  19           HA       LYS  19  -6.517   4.263  -8.898
  140   1HB   LYS  19           HB2      LYS  19  -5.559   6.010  -7.266
  141   2HB   LYS  19           HB1      LYS  19  -4.916   6.819  -8.692
  142   1HG   LYS  19           HG2      LYS  19  -7.110   7.166  -9.593
  143   2HG   LYS  19           HG1      LYS  19  -7.843   6.092  -8.401
  144   1HD   LYS  19           HD2      LYS  19  -7.293   7.620  -6.600
  145   2HD   LYS  19           HD1      LYS  19  -6.384   8.653  -7.703
  146   1HE   LYS  19           HE2      LYS  19  -9.338   8.056  -8.008
  147   2HE   LYS  19           HE1      LYS  19  -8.703   9.491  -7.197
  148   1HZ   LYS  19           HZ1      LYS  19  -7.348   9.659  -9.428
  149   2HZ   LYS  19           HZ3      LYS  19  -8.667   8.785 -10.036
  150   3HZ   LYS  19           HZ2      LYS  19  -8.917  10.294  -9.297
  151    H    LYS  20           HN       LYS  20  -3.472   4.490 -10.438
  152    HA   LYS  20           HA       LYS  20  -4.049   6.049 -12.711
  153   1HB   LYS  20           HB2      LYS  20  -1.902   4.512 -11.926
  154   2HB   LYS  20           HB1      LYS  20  -2.511   3.554 -13.267
  155   1HG   LYS  20           HG2      LYS  20  -1.862   6.518 -13.406
  156   2HG   LYS  20           HG1      LYS  20  -0.797   5.228 -13.965
  157   1HD   LYS  20           HD2      LYS  20  -2.666   4.456 -15.473
  158   2HD   LYS  20           HD1      LYS  20  -3.543   5.919 -15.027
  159   1HE   LYS  20           HE2      LYS  20  -0.761   5.912 -16.224
  160   2HE   LYS  20           HE1      LYS  20  -2.238   6.160 -17.156
  161   1HZ   LYS  20           HZ1      LYS  20  -2.539   7.899 -15.126
  162   2HZ   LYS  20           HZ3      LYS  20  -0.862   7.961 -15.372
  163   3HZ   LYS  20           HZ2      LYS  20  -1.919   8.302 -16.657
  164    H    ARG  21           HN       ARG  21  -5.205   2.958 -11.743
  165    HA   ARG  21           HA       ARG  21  -6.527   2.509 -14.380
  166   1HB   ARG  21           HB2      ARG  21  -6.250   0.804 -11.871
  167   2HB   ARG  21           HB1      ARG  21  -7.284   0.367 -13.227
  168   1HG   ARG  21           HG2      ARG  21  -5.355  -0.787 -13.797
  169   2HG   ARG  21           HG1      ARG  21  -5.063   0.728 -14.644
  170   1HD   ARG  21           HD2      ARG  21  -3.989   1.347 -12.219
  171   2HD   ARG  21           HD1      ARG  21  -3.698  -0.395 -12.236
  172    HE   ARG  21           HE       ARG  21  -2.160   1.509 -13.636
  173   1HH1  ARG  21          HH21      ARG  21  -3.900  -1.399 -14.325
  174   2HH1  ARG  21          HH22      ARG  21  -3.046  -1.706 -15.794
  175   1HH2  ARG  21          HH11      ARG  21  -1.037   1.097 -15.535
  176   2HH2  ARG  21          HH12      ARG  21  -1.427  -0.306 -16.474
  177    H    LYS  22           HN       LYS  22  -7.888   1.482 -11.356
  178    HA   LYS  22           HA       LYS  22  -9.587   3.834 -11.104
  179   1HB   LYS  22           HB2      LYS  22 -10.493   1.862 -12.855
  180   2HB   LYS  22           HB1      LYS  22 -11.325   1.436 -11.368
  181   1HG   LYS  22           HG2      LYS  22 -11.925   3.967 -11.238
  182   2HG   LYS  22           HG1      LYS  22 -11.465   4.005 -12.941
  183   1HD   LYS  22           HD2      LYS  22 -13.093   2.178 -13.396
  184   2HD   LYS  22           HD1      LYS  22 -13.589   2.227 -11.703
  185   1HE   LYS  22           HE2      LYS  22 -13.796   4.509 -13.691
  186   2HE   LYS  22           HE1      LYS  22 -15.139   3.557 -13.055
  187   1HZ   LYS  22           HZ2      LYS  22 -13.290   5.190 -11.402
  188   2HZ   LYS  22           HZ1      LYS  22 -14.837   5.686 -11.895
  189   3HZ   LYS  22           HZ3      LYS  22 -14.667   4.357 -10.856
  190    H    LEU  23           HN       LEU  23  -7.808   2.916  -9.284
  191    HA   LEU  23           HA       LEU  23  -9.446   1.472  -7.214
  192   1HB   LEU  23           HB2      LEU  23  -6.445   1.765  -7.318
  193   2HB   LEU  23           HB1      LEU  23  -7.363   0.739  -6.230
  194    HG   LEU  23           HG       LEU  23  -7.232   0.418  -9.247
  195   1HD1  LEU  23          HD13      LEU  23  -5.901  -1.071  -6.962
  196   2HD1  LEU  23          HD12      LEU  23  -5.919  -1.639  -8.633
  197   3HD1  LEU  23          HD11      LEU  23  -5.098  -0.134  -8.224
  198   1HD2  LEU  23          HD23      LEU  23  -8.588  -1.137  -7.028
  199   2HD2  LEU  23          HD22      LEU  23  -9.321  -0.476  -8.487
  200   3HD2  LEU  23          HD21      LEU  23  -8.237  -1.861  -8.595
  201    H    SER  24           HN       SER  24  -9.373   2.275  -5.070
  202    HA   SER  24           HA       SER  24  -7.956   4.808  -4.517
  203   1HB   SER  24           HB2      SER  24  -9.967   5.999  -3.832
  204   2HB   SER  24           HB1      SER  24 -10.168   5.475  -5.502
  205    HG   SER  24           HG       SER  24 -11.458   3.808  -4.803
  206    H    LEU  25           HN       LEU  25  -7.143   4.604  -2.428
  207    HA   LEU  25           HA       LEU  25  -7.504   2.348  -0.832
  208   1HB   LEU  25           HB2      LEU  25  -7.076   5.160   0.221
  209   2HB   LEU  25           HB1      LEU  25  -6.716   3.665   1.090
  210    HG   LEU  25           HG       LEU  25  -5.460   4.138  -1.616
  211   1HD1  LEU  25          HD12      LEU  25  -4.572   5.330   1.021
  212   2HD1  LEU  25          HD11      LEU  25  -3.505   5.152  -0.371
  213   3HD1  LEU  25          HD13      LEU  25  -4.927   6.189  -0.476
  214   1HD2  LEU  25          HD21      LEU  25  -5.306   1.947  -0.281
  215   2HD2  LEU  25          HD23      LEU  25  -3.770   2.657  -0.774
  216   3HD2  LEU  25          HD22      LEU  25  -4.336   2.842   0.887
  217    H    SER  26           HN       SER  26  -9.762   4.937  -1.304
  218    HA   SER  26           HA       SER  26 -11.259   4.401   1.148
  219   1HB   SER  26           HB2      SER  26 -12.191   5.863  -1.336
  220   2HB   SER  26           HB1      SER  26 -12.889   5.967   0.278
  221    HG   SER  26           HG       SER  26 -11.524   7.548   0.521
  222    H    ALA  27           HN       ALA  27 -11.361   3.329  -2.199
  223    HA   ALA  27           HA       ALA  27 -13.924   1.946  -1.860
  224   1HB   ALA  27           HB2      ALA  27 -13.158   2.905  -4.049
  225   2HB   ALA  27           HB1      ALA  27 -11.891   1.679  -4.091
  226   3HB   ALA  27           HB3      ALA  27 -13.588   1.198  -4.143
  227    H    LEU  28           HN       LEU  28 -10.484   1.006  -2.072
  228    HA   LEU  28           HA       LEU  28 -10.938  -1.814  -1.973
  229   1HB   LEU  28           HB2      LEU  28  -8.595  -0.045  -1.273
  230   2HB   LEU  28           HB1      LEU  28  -8.529  -1.779  -0.958
  231    HG   LEU  28           HG       LEU  28  -8.963  -2.272  -3.298
  232   1HD1  LEU  28          HD13      LEU  28  -9.276   0.726  -3.500
  233   2HD1  LEU  28          HD12      LEU  28  -8.984  -0.287  -4.909
  234   3HD1  LEU  28          HD11      LEU  28 -10.440  -0.517  -3.950
  235   1HD2  LEU  28          HD23      LEU  28  -6.616  -1.659  -2.475
  236   2HD2  LEU  28          HD22      LEU  28  -6.878  -1.544  -4.214
  237   3HD2  LEU  28          HD21      LEU  28  -6.875  -0.084  -3.226
  238    H    SER  29           HN       SER  29 -10.486   0.597   0.587
  239    HA   SER  29           HA       SER  29 -10.424  -1.274   2.758
  240   1HB   SER  29           HB2      SER  29  -9.833   1.219   2.797
  241   2HB   SER  29           HB1      SER  29 -11.562   1.527   2.901
  242    HG   SER  29           HG       SER  29  -9.804   0.457   4.760
  243    H    ARG  30           HN       ARG  30 -13.073   0.561   1.240
  244    HA   ARG  30           HA       ARG  30 -15.141  -0.516   2.940
  245   1HB   ARG  30           HB2      ARG  30 -15.763   1.510   1.962
  246   2HB   ARG  30           HB1      ARG  30 -15.031   1.101   0.413
  247   1HG   ARG  30           HG2      ARG  30 -16.848  -0.249  -0.236
  248   2HG   ARG  30           HG1      ARG  30 -17.432  -0.423   1.417
  249   1HD   ARG  30           HD2      ARG  30 -18.713   1.192  -0.159
  250   2HD   ARG  30           HD1      ARG  30 -18.315   1.768   1.460
  251    HE   ARG  30           HE       ARG  30 -16.156   2.591  -0.045
  252   1HH1  ARG  30          HH21      ARG  30 -19.588   2.835  -0.295
  253   2HH1  ARG  30          HH22      ARG  30 -19.554   4.362  -1.113
  254   1HH2  ARG  30          HH11      ARG  30 -16.093   4.587  -1.110
  255   2HH2  ARG  30          HH12      ARG  30 -17.575   5.355  -1.570
  256    H    GLN  31           HN       GLN  31 -13.626  -1.631  -0.023
  257    HA   GLN  31           HA       GLN  31 -15.712  -3.421  -0.844
  258   1HB   GLN  31           HB2      GLN  31 -12.775  -3.160  -1.418
  259   2HB   GLN  31           HB1      GLN  31 -13.617  -4.615  -1.949
  260   1HG   GLN  31           HG2      GLN  31 -15.165  -3.339  -3.272
  261   2HG   GLN  31           HG1      GLN  31 -14.597  -1.818  -2.576
  262   1HE2  GLN  31          HE22      GLN  31 -12.625  -3.437  -5.723
  263   2HE2  GLN  31          HE21      GLN  31 -14.033  -4.147  -5.094
  264    H    PHE  32           HN       PHE  32 -13.124  -3.755   1.534
  265    HA   PHE  32           HA       PHE  32 -13.843  -6.640   1.905
  266   1HB   PHE  32           HB2      PHE  32 -11.486  -4.956   2.787
  267   2HB   PHE  32           HB1      PHE  32 -11.809  -6.545   3.483
  268    HD1  PHE  32           HD2      PHE  32 -11.651  -8.588   2.128
  269    HD2  PHE  32           HD1      PHE  32 -10.831  -4.713   0.428
  270    HE1  PHE  32           HE2      PHE  32 -10.631  -9.677   0.135
  271    HE2  PHE  32           HE1      PHE  32  -9.815  -5.801  -1.564
  272    HZ   PHE  32           HZ       PHE  32  -9.715  -8.283  -1.712
  273    H    GLY  33           HN       GLY  33 -14.145  -3.496   3.416
  274   1HA   GLY  33           HA2      GLY  33 -16.079  -3.359   5.017
  275   2HA   GLY  33           HA1      GLY  33 -15.436  -4.802   5.789
  276    H    TYR  34           HN       TYR  34 -12.716  -4.163   5.946
  277    HA   TYR  34           HA       TYR  34 -12.513  -2.752   8.320
  278   1HB   TYR  34           HB2      TYR  34 -10.394  -2.562   6.168
  279   2HB   TYR  34           HB1      TYR  34 -10.173  -2.497   7.914
  280    HD1  TYR  34           HD2      TYR  34 -11.397  -4.618   9.169
  281    HD2  TYR  34           HD1      TYR  34  -9.770  -4.591   5.176
  282    HE1  TYR  34           HE2      TYR  34 -11.157  -7.091   9.247
  283    HE2  TYR  34           HE1      TYR  34  -9.531  -7.061   5.261
  284    HH   TYR  34           HH       TYR  34 -10.986  -8.999   6.919
  285    H    ALA  35           HN       ALA  35 -12.858  -0.690   8.902
  286    HA   ALA  35           HA       ALA  35 -13.889   1.313   7.313
  287   1HB   ALA  35           HB1      ALA  35 -12.626   1.164   9.949
  288   2HB   ALA  35           HB3      ALA  35 -12.370   2.740   9.204
  289   3HB   ALA  35           HB2      ALA  35 -14.008   2.132   9.445
  290    HA   PRO  36           HA       PRO  36 -10.744   2.943   4.694
  291   1HB   PRO  36           HB2      PRO  36 -11.003   5.736   5.345
  292   2HB   PRO  36           HB1      PRO  36 -11.756   4.876   3.996
  293   1HG   PRO  36           HG2      PRO  36 -13.007   5.825   6.471
  294   2HG   PRO  36           HG1      PRO  36 -13.787   5.181   5.018
  295   1HD   PRO  36           HD2      PRO  36 -13.532   3.855   7.530
  296   2HD   PRO  36           HD1      PRO  36 -14.084   3.138   6.001
  297    H    THR  37           HN       THR  37 -10.758   3.943   8.065
  298    HA   THR  37           HA       THR  37  -8.147   5.121   8.152
  299    HB   THR  37           HB       THR  37  -8.270   4.669  10.593
  300    HG1  THR  37           HG1      THR  37 -10.277   2.975   9.674
  301   1HG2  THR  37          HG23      THR  37  -9.551   6.555   9.422
  302   2HG2  THR  37          HG22      THR  37 -10.985   5.543   9.602
  303   3HG2  THR  37          HG21      THR  37 -10.115   6.101  11.030
  304    H    THR  38           HN       THR  38  -9.263   1.787   8.694
  305    HA   THR  38           HA       THR  38  -6.824   0.627   9.490
  306    HB   THR  38           HB       THR  38  -9.121  -0.453   7.848
  307    HG1  THR  38           HG1      THR  38  -8.313  -0.523  10.540
  308   1HG2  THR  38          HG21      THR  38  -6.535  -1.753   8.620
  309   2HG2  THR  38          HG23      THR  38  -8.011  -2.709   8.760
  310   3HG2  THR  38          HG22      THR  38  -7.548  -2.027   7.200
  311    H    LEU  39           HN       LEU  39  -8.101   0.308   6.166
  312    HA   LEU  39           HA       LEU  39  -5.729  -0.484   4.935
  313   1HB   LEU  39           HB2      LEU  39  -8.077  -0.266   3.919
  314   2HB   LEU  39           HB1      LEU  39  -7.682   1.429   3.650
  315    HG   LEU  39           HG       LEU  39  -5.643   0.685   2.384
  316   1HD1  LEU  39          HD13      LEU  39  -6.832  -2.005   3.026
  317   2HD1  LEU  39          HD12      LEU  39  -6.030  -1.791   1.470
  318   3HD1  LEU  39          HD11      LEU  39  -5.136  -1.520   2.964
  319   1HD2  LEU  39          HD21      LEU  39  -8.328  -0.272   1.361
  320   2HD2  LEU  39          HD23      LEU  39  -7.698   1.368   1.257
  321   3HD2  LEU  39          HD22      LEU  39  -6.916   0.074   0.360
  322    H    ALA  40           HN       ALA  40  -6.880   2.849   5.464
  323    HA   ALA  40           HA       ALA  40  -4.746   4.206   4.202
  324   1HB   ALA  40           HB3      ALA  40  -6.771   5.342   5.046
  325   2HB   ALA  40           HB2      ALA  40  -6.256   5.024   6.702
  326   3HB   ALA  40           HB1      ALA  40  -5.308   6.100   5.677
  327    H    ASN  41           HN       ASN  41  -5.031   3.933   7.741
  328    HA   ASN  41           HA       ASN  41  -2.313   4.478   8.294
  329   1HB   ASN  41           HB2      ASN  41  -4.135   2.748   9.987
  330   2HB   ASN  41           HB1      ASN  41  -2.772   3.730  10.534
  331   1HD2  ASN  41          HD22      ASN  41  -4.600   6.849  10.025
  332   2HD2  ASN  41          HD21      ASN  41  -3.053   6.200   9.770
  333    H    ALA  42           HN       ALA  42  -3.559   1.687   6.811
  334    HA   ALA  42           HA       ALA  42  -1.762  -0.248   8.013
  335   1HB   ALA  42           HB2      ALA  42  -3.855  -0.879   6.778
  336   2HB   ALA  42           HB1      ALA  42  -3.071  -0.374   5.282
  337   3HB   ALA  42           HB3      ALA  42  -2.421  -1.728   6.205
  338    H    LEU  43           HN       LEU  43  -0.888   2.423   6.541
  339    HA   LEU  43           HA       LEU  43   0.993   1.339   4.559
  340   1HB   LEU  43           HB2      LEU  43   0.503   4.124   5.640
  341   2HB   LEU  43           HB1      LEU  43   1.747   3.760   4.442
  342    HG   LEU  43           HG       LEU  43  -1.106   2.886   3.958
  343   1HD1  LEU  43          HD11      LEU  43   0.057   5.641   3.471
  344   2HD1  LEU  43          HD13      LEU  43  -1.422   5.049   2.714
  345   3HD1  LEU  43          HD12      LEU  43  -1.342   5.235   4.466
  346   1HD2  LEU  43          HD22      LEU  43   1.230   3.672   2.176
  347   2HD2  LEU  43          HD21      LEU  43   0.584   2.049   2.405
  348   3HD2  LEU  43          HD23      LEU  43  -0.378   3.271   1.580
  349    H    GLU  44           HN       GLU  44   1.058   2.471   7.897
  350    HA   GLU  44           HA       GLU  44   3.931   1.628   8.046
  351   1HB   GLU  44           HB2      GLU  44   4.202   3.498   9.750
  352   2HB   GLU  44           HB1      GLU  44   4.027   4.017   8.074
  353   1HG   GLU  44           HG2      GLU  44   1.781   4.691   8.392
  354   2HG   GLU  44           HG1      GLU  44   1.626   3.775   9.890
  355    H    ARG  45           HN       ARG  45   0.818   1.143   9.165
  356    HA   ARG  45           HA       ARG  45   1.458   0.677  11.969
  357   1HB   ARG  45           HB2      ARG  45  -0.861   1.213  11.096
  358   2HB   ARG  45           HB1      ARG  45  -0.906  -0.422  10.429
  359   1HG   ARG  45           HG2      ARG  45  -0.578  -1.378  12.651
  360   2HG   ARG  45           HG1      ARG  45  -0.417   0.233  13.349
  361   1HD   ARG  45           HD2      ARG  45  -2.677  -0.515  13.753
  362   2HD   ARG  45           HD1      ARG  45  -2.742   0.737  12.512
  363    HE   ARG  45           HE       ARG  45  -2.552  -1.602  11.055
  364   1HH1  ARG  45          HH21      ARG  45  -4.556  -0.395  13.586
  365   2HH1  ARG  45          HH22      ARG  45  -5.945  -1.306  13.100
  366   1HH2  ARG  45          HH11      ARG  45  -4.356  -2.799  10.406
  367   2HH2  ARG  45          HH12      ARG  45  -5.832  -2.670  11.303
  368    H    HIS  46           HN       HIS  46   1.712  -1.367  12.982
  369    HA   HIS  46           HA       HIS  46   3.191  -3.319  11.479
  370   1HB   HIS  46           HB2      HIS  46   1.837  -3.567  14.187
  371   2HB   HIS  46           HB1      HIS  46   3.047  -4.682  13.543
  372    HD1  HIS  46           HD1      HIS  46   5.193  -2.952  12.461
  373    HD2  HIS  46           HD2      HIS  46   3.176  -1.931  15.964
  374    HE1  HIS  46           HE1      HIS  46   6.701  -1.351  13.717
  375    H    TRP  47           HN       TRP  47   1.605  -3.687   9.708
  376    HA   TRP  47           HA       TRP  47   0.012  -6.065  10.222
  377   1HB   TRP  47           HB2      TRP  47  -1.513  -4.272  11.041
  378   2HB   TRP  47           HB1      TRP  47  -1.434  -3.511   9.454
  379    HD1  TRP  47           HD1      TRP  47  -1.970  -7.219  10.481
  380    HE1  TRP  47           HE1      TRP  47  -4.055  -8.081   9.242
  381    HE3  TRP  47           HE3      TRP  47  -3.394  -2.936   8.073
  382    HZ2  TRP  47           HZ2      TRP  47  -6.075  -7.092   7.464
  383    HZ3  TRP  47           HZ3      TRP  47  -5.407  -2.921   6.617
  384    HH2  TRP  47           HH2      TRP  47  -6.751  -4.992   6.316
  385    HA   PRO  48           HA       PRO  48   1.843  -5.296   5.986
  386   1HB   PRO  48           HB2      PRO  48   2.685  -8.089   6.048
  387   2HB   PRO  48           HB1      PRO  48   3.693  -6.634   5.976
  388   1HG   PRO  48           HG2      PRO  48   3.362  -8.365   8.229
  389   2HG   PRO  48           HG1      PRO  48   4.209  -6.809   8.204
  390   1HD   PRO  48           HD2      PRO  48   1.615  -7.447   9.395
  391   2HD   PRO  48           HD1      PRO  48   2.558  -5.940   9.543
  392    H    LYS  49           HN       LYS  49  -0.496  -7.450   7.352
  393    HA   LYS  49           HA       LYS  49  -1.196  -8.852   4.923
  394   1HB   LYS  49           HB2      LYS  49  -1.877  -9.398   7.383
  395   2HB   LYS  49           HB1      LYS  49  -3.170  -8.233   7.123
  396   1HG   LYS  49           HG2      LYS  49  -4.237 -10.189   6.448
  397   2HG   LYS  49           HG1      LYS  49  -3.587  -9.636   4.908
  398   1HD   LYS  49           HD2      LYS  49  -1.674 -11.132   5.126
  399   2HD   LYS  49           HD1      LYS  49  -2.191 -11.611   6.742
  400   1HE   LYS  49           HE2      LYS  49  -2.799 -13.170   4.755
  401   2HE   LYS  49           HE1      LYS  49  -4.056 -12.794   5.933
  402   1HZ   LYS  49           HZ3      LYS  49  -4.755 -10.963   4.440
  403   2HZ   LYS  49           HZ2      LYS  49  -3.646 -11.523   3.283
  404   3HZ   LYS  49           HZ1      LYS  49  -4.949 -12.504   3.760
  405    H    GLY  50           HN       GLY  50  -1.916  -5.690   6.212
  406   1HA   GLY  50           HA2      GLY  50  -4.208  -5.147   4.533
  407   2HA   GLY  50           HA1      GLY  50  -3.209  -3.927   5.337
  408    H    GLU  51           HN       GLU  51  -0.750  -5.119   4.110
  409    HA   GLU  51           HA       GLU  51  -0.714  -3.506   1.706
  410   1HB   GLU  51           HB2      GLU  51   1.311  -5.633   2.448
  411   2HB   GLU  51           HB1      GLU  51   1.569  -4.193   1.466
  412   1HG   GLU  51           HG2      GLU  51   0.746  -4.003   4.372
  413   2HG   GLU  51           HG1      GLU  51   2.433  -4.129   3.891
  414    H    GLN  52           HN       GLN  52  -1.126  -6.926   2.446
  415    HA   GLN  52           HA       GLN  52  -0.827  -7.953  -0.201
  416   1HB   GLN  52           HB2      GLN  52  -2.432  -8.869   2.195
  417   2HB   GLN  52           HB1      GLN  52  -2.472  -9.753   0.669
  418   1HG   GLN  52           HG2      GLN  52   0.111  -9.044   2.076
  419   2HG   GLN  52           HG1      GLN  52  -0.744 -10.560   2.359
  420   1HE2  GLN  52          HE22      GLN  52   1.732 -11.103  -0.402
  421   2HE2  GLN  52          HE21      GLN  52   1.851 -10.603   1.216
  422    H    ILE  53           HN       ILE  53  -3.602  -6.542   1.500
  423    HA   ILE  53           HA       ILE  53  -5.606  -7.027  -0.451
  424    HB   ILE  53           HB       ILE  53  -5.268  -4.546   1.270
  425   1HG1  ILE  53          HG12      ILE  53  -6.787  -7.103   1.881
  426   2HG1  ILE  53          HG11      ILE  53  -5.172  -6.757   2.500
  427   1HG2  ILE  53          HG22      ILE  53  -6.984  -4.403  -0.553
  428   2HG2  ILE  53          HG21      ILE  53  -7.770  -5.827   0.128
  429   3HG2  ILE  53          HG23      ILE  53  -7.688  -4.332   1.058
  430   1HD1  ILE  53          HD12      ILE  53  -6.227  -4.542   3.380
  431   2HD1  ILE  53          HD11      ILE  53  -7.769  -5.359   3.134
  432   3HD1  ILE  53          HD13      ILE  53  -6.580  -6.036   4.241
  433    H    ILE  54           HN       ILE  54  -3.506  -4.156  -0.070
  434    HA   ILE  54           HA       ILE  54  -4.330  -2.859  -2.473
  435    HB   ILE  54           HB       ILE  54  -1.785  -2.697  -0.841
  436   1HG1  ILE  54          HG12      ILE  54  -4.105  -0.767  -1.145
  437   2HG1  ILE  54          HG11      ILE  54  -4.011  -1.972   0.138
  438   1HG2  ILE  54          HG21      ILE  54  -2.677  -1.163  -3.281
  439   2HG2  ILE  54          HG23      ILE  54  -1.556  -0.464  -2.117
  440   3HG2  ILE  54          HG22      ILE  54  -1.119  -1.930  -2.986
  441   1HD1  ILE  54          HD11      ILE  54  -1.602  -0.850   0.525
  442   2HD1  ILE  54          HD13      ILE  54  -2.397   0.532  -0.228
  443   3HD1  ILE  54          HD12      ILE  54  -3.055  -0.168   1.246
  444    H    ALA  55           HN       ALA  55  -1.373  -4.795  -1.852
  445    HA   ALA  55           HA       ALA  55  -0.385  -4.725  -4.508
  446   1HB   ALA  55           HB1      ALA  55   0.863  -5.547  -2.500
  447   2HB   ALA  55           HB3      ALA  55  -0.119  -7.008  -2.532
  448   3HB   ALA  55           HB2      ALA  55   0.966  -6.646  -3.875
  449    H    ASN  56           HN       ASN  56  -2.778  -6.828  -3.002
  450    HA   ASN  56           HA       ASN  56  -2.959  -8.821  -5.004
  451   1HB   ASN  56           HB2      ASN  56  -4.148  -8.974  -2.845
  452   2HB   ASN  56           HB1      ASN  56  -5.205  -7.648  -3.333
  453   1HD2  ASN  56          HD22      ASN  56  -7.379  -9.804  -5.048
  454   2HD2  ASN  56          HD21      ASN  56  -7.138  -8.320  -4.261
  455    H    ALA  57           HN       ALA  57  -4.296  -5.561  -4.876
  456    HA   ALA  57           HA       ALA  57  -6.097  -5.787  -7.068
  457   1HB   ALA  57           HB2      ALA  57  -5.801  -3.852  -5.379
  458   2HB   ALA  57           HB1      ALA  57  -4.538  -3.276  -6.468
  459   3HB   ALA  57           HB3      ALA  57  -6.198  -3.427  -7.045
  460    H    LEU  58           HN       LEU  58  -2.608  -5.191  -7.008
  461    HA   LEU  58           HA       LEU  58  -2.554  -4.748  -9.933
  462   1HB   LEU  58           HB2      LEU  58  -0.392  -4.858  -7.815
  463   2HB   LEU  58           HB1      LEU  58  -0.076  -4.556  -9.517
  464    HG   LEU  58           HG       LEU  58  -2.092  -2.860  -8.049
  465   1HD1  LEU  58          HD12      LEU  58   0.924  -2.542  -8.017
  466   2HD1  LEU  58          HD11      LEU  58  -0.199  -1.258  -7.578
  467   3HD1  LEU  58          HD13      LEU  58  -0.139  -2.741  -6.625
  468   1HD2  LEU  58          HD22      LEU  58  -0.205  -2.407 -10.391
  469   2HD2  LEU  58          HD21      LEU  58  -1.959  -2.571 -10.469
  470   3HD2  LEU  58          HD23      LEU  58  -1.238  -1.159  -9.698
  471    H    GLU  59           HN       GLU  59  -2.937  -7.405  -8.109
  472    HA   GLU  59           HA       GLU  59  -2.533  -9.682  -8.473
  473   1HB   GLU  59           HB2      GLU  59  -3.154  -8.805 -10.865
  474   2HB   GLU  59           HB1      GLU  59  -1.433  -8.982 -11.199
  475   1HG   GLU  59           HG2      GLU  59  -1.515 -11.345 -10.606
  476   2HG   GLU  59           HG1      GLU  59  -3.204 -11.195 -10.114
  477    H    THR  60           HN       THR  60  -0.305  -7.598  -7.758
  478    HA   THR  60           HA       THR  60   2.044  -9.379  -8.336
  479    HB   THR  60           HB       THR  60   2.045  -6.921  -9.134
  480    HG1  THR  60           HG1      THR  60   4.139  -7.085  -9.031
  481   1HG2  THR  60          HG23      THR  60   1.184  -6.200  -6.755
  482   2HG2  THR  60          HG22      THR  60   2.889  -6.299  -6.317
  483   3HG2  THR  60          HG21      THR  60   2.370  -5.194  -7.589
  484    H    LYS  61           HN       LYS  61   3.755  -8.432  -6.374
  485    HA   LYS  61           HA       LYS  61   2.427  -9.421  -3.890
  486   1HB   LYS  61           HB2      LYS  61   5.386  -9.418  -4.490
  487   2HB   LYS  61           HB1      LYS  61   4.549 -10.352  -3.258
  488   1HG   LYS  61           HG2      LYS  61   4.689 -12.022  -4.845
  489   2HG   LYS  61           HG1      LYS  61   3.225 -11.260  -5.446
  490   1HD   LYS  61           HD2      LYS  61   4.520 -11.360  -7.389
  491   2HD   LYS  61           HD1      LYS  61   4.911  -9.744  -6.803
  492   1HE   LYS  61           HE2      LYS  61   7.016 -10.703  -7.302
  493   2HE   LYS  61           HE1      LYS  61   6.871 -10.869  -5.553
  494   1HZ   LYS  61           HZ1      LYS  61   5.748 -13.058  -7.059
  495   2HZ   LYS  61           HZ3      LYS  61   7.423 -12.883  -7.242
  496   3HZ   LYS  61           HZ2      LYS  61   6.755 -13.082  -5.692
  497    HA   PRO  62           HA       PRO  62   3.131  -5.451  -2.029
  498   1HB   PRO  62           HB2      PRO  62   3.973  -6.373   0.557
  499   2HB   PRO  62           HB1      PRO  62   2.337  -5.902   0.068
  500   1HG   PRO  62           HG2      PRO  62   3.400  -8.602   0.523
  501   2HG   PRO  62           HG1      PRO  62   1.718  -8.095   0.324
  502   1HD   PRO  62           HD2      PRO  62   3.275  -9.502  -1.590
  503   2HD   PRO  62           HD1      PRO  62   1.700  -8.736  -1.871
  504    H    GLU  63           HN       GLU  63   5.653  -7.919  -1.551
  505    HA   GLU  63           HA       GLU  63   7.743  -6.206  -0.710
  506   1HB   GLU  63           HB2      GLU  63   9.246  -7.952  -1.286
  507   2HB   GLU  63           HB1      GLU  63   7.744  -8.770  -0.863
  508   1HG   GLU  63           HG2      GLU  63   8.291  -9.839  -2.870
  509   2HG   GLU  63           HG1      GLU  63   7.226  -8.555  -3.438
  510    H    VAL  64           HN       VAL  64   6.016  -6.013  -3.564
  511    HA   VAL  64           HA       VAL  64   8.289  -5.063  -5.226
  512    HB   VAL  64           HB       VAL  64   5.317  -5.173  -5.846
  513   1HG1  VAL  64          HG12      VAL  64   7.781  -4.658  -7.530
  514   2HG1  VAL  64          HG11      VAL  64   6.200  -5.040  -8.216
  515   3HG1  VAL  64          HG13      VAL  64   6.418  -3.570  -7.265
  516   1HG2  VAL  64          HG23      VAL  64   6.403  -7.404  -5.416
  517   2HG2  VAL  64          HG22      VAL  64   5.816  -7.209  -7.068
  518   3HG2  VAL  64          HG21      VAL  64   7.537  -7.046  -6.718
  519    H    ILE  65           HN       ILE  65   5.385  -3.837  -3.612
  520    HA   ILE  65           HA       ILE  65   5.938  -1.079  -4.496
  521    HB   ILE  65           HB       ILE  65   3.812  -2.208  -2.649
  522   1HG1  ILE  65          HG12      ILE  65   2.470  -1.327  -4.852
  523   2HG1  ILE  65          HG11      ILE  65   3.998  -1.762  -5.612
  524   1HG2  ILE  65          HG23      ILE  65   4.210   0.569  -3.786
  525   2HG2  ILE  65          HG22      ILE  65   2.724   0.027  -3.008
  526   3HG2  ILE  65          HG21      ILE  65   4.218   0.111  -2.084
  527   1HD1  ILE  65          HD13      ILE  65   3.774  -4.014  -4.370
  528   2HD1  ILE  65          HD12      ILE  65   2.106  -3.539  -4.057
  529   3HD1  ILE  65          HD11      ILE  65   2.671  -3.732  -5.717
  530    H    TRP  66           HN       TRP  66   6.768  -3.141  -1.849
  531    HA   TRP  66           HA       TRP  66   7.933  -0.785  -0.407
  532   1HB   TRP  66           HB2      TRP  66   6.330  -3.053   0.787
  533   2HB   TRP  66           HB1      TRP  66   7.342  -1.973   1.739
  534    HD1  TRP  66           HD1      TRP  66   6.696   0.674   1.679
  535    HE1  TRP  66           HE1      TRP  66   4.398   1.810   1.394
  536    HE3  TRP  66           HE3      TRP  66   4.031  -3.233  -0.265
  537    HZ2  TRP  66           HZ2      TRP  66   1.764   1.148   0.455
  538    HZ3  TRP  66           HZ3      TRP  66   1.629  -2.958  -0.847
  539    HH2  TRP  66           HH2      TRP  66   0.496  -0.773  -0.493
  540    HA   PRO  67           HA       PRO  67  10.979  -4.268  -0.944
  541   1HB   PRO  67           HB2      PRO  67  12.895  -2.635  -2.236
  542   2HB   PRO  67           HB1      PRO  67  11.789  -3.768  -3.032
  543   1HG   PRO  67           HG2      PRO  67  11.709  -0.833  -3.047
  544   2HG   PRO  67           HG1      PRO  67  10.780  -1.970  -4.038
  545   1HD   PRO  67           HD2      PRO  67   9.847  -0.453  -1.753
  546   2HD   PRO  67           HD1      PRO  67   8.929  -1.605  -2.741
  547    H    SER  68           HN       SER  68  11.457  -0.847  -0.037
  548    HA   SER  68           HA       SER  68  13.913  -1.341   1.424
  549   1HB   SER  68           HB2      SER  68  13.010   0.884   0.433
  550   2HB   SER  68           HB1      SER  68  12.099   1.007   1.935
  551    HG   SER  68           HG       SER  68  14.763   1.359   1.454
  552    H    ARG  69           HN       ARG  69  10.780  -2.215   2.183
  553    HA   ARG  69           HA       ARG  69  11.148  -1.832   5.127
  554   1HB   ARG  69           HB2      ARG  69   8.784  -2.612   3.415
  555   2HB   ARG  69           HB1      ARG  69   8.760  -2.781   5.170
  556   1HG   ARG  69           HG2      ARG  69   9.343  -0.350   5.356
  557   2HG   ARG  69           HG1      ARG  69   9.185  -0.218   3.605
  558   1HD   ARG  69           HD2      ARG  69   6.859  -0.787   3.680
  559   2HD   ARG  69           HD1      ARG  69   6.968  -1.282   5.369
  560    HE   ARG  69           HE       ARG  69   7.727   1.376   5.422
  561   1HH1  ARG  69          HH21      ARG  69   5.082  -0.434   4.155
  562   2HH1  ARG  69          HH22      ARG  69   3.930   0.844   4.369
  563   1HH2  ARG  69          HH11      ARG  69   6.237   3.054   5.715
  564   2HH2  ARG  69          HH12      ARG  69   4.585   2.816   5.254
  565    H    TYR  70           HN       TYR  70  11.143  -4.267   2.620
  566    HA   TYR  70           HA       TYR  70  11.225  -6.467   4.659
  567   1HB   TYR  70           HB2      TYR  70  10.719  -6.365   1.674
  568   2HB   TYR  70           HB1      TYR  70  11.132  -7.881   2.470
  569    HD1  TYR  70           HD2      TYR  70   9.695  -8.701   4.414
  570    HD2  TYR  70           HD1      TYR  70   8.555  -5.466   1.833
  571    HE1  TYR  70           HE2      TYR  70   7.336  -8.932   5.175
  572    HE2  TYR  70           HE1      TYR  70   6.190  -5.678   2.589
  573    HH   TYR  70           HH       TYR  70   5.299  -7.502   5.314
  574    H    GLN  71           HN       GLN  71  13.109  -7.658   4.927
  575    HA   GLN  71           HA       GLN  71  15.291  -7.524   2.985
  576   1HB   GLN  71           HB2      GLN  71  15.533  -5.385   4.257
  577   2HB   GLN  71           HB1      GLN  71  15.702  -6.325   5.740
  578   1HG   GLN  71           HG2      GLN  71  17.738  -7.315   5.000
  579   2HG   GLN  71           HG1      GLN  71  17.487  -6.768   3.341
  580   1HE2  GLN  71          HE22      GLN  71  19.826  -4.451   5.305
  581   2HE2  GLN  71          HE21      GLN  71  19.779  -6.145   5.206
  582    H    ALA  72           HN       ALA  72  14.662  -9.856   3.220
  583    HA   ALA  72           HA       ALA  72  16.475 -11.218   5.012
  584   1HB   ALA  72           HB1      ALA  72  14.643 -10.624   6.605
  585   2HB   ALA  72           HB3      ALA  72  13.515 -11.530   5.597
  586   3HB   ALA  72           HB2      ALA  72  14.840 -12.366   6.409
  587    H    GLY  73           HN       GLY  73  13.259 -11.990   3.624
  588   1HA   GLY  73           HA2      GLY  73  12.836 -13.331   1.687
  589   2HA   GLY  73           HA1      GLY  73  14.551 -13.736   1.613
  590    H    GLU  74           HN       GLU  74  15.106 -14.789   4.051
  591    HA   GLU  74           HA       GLU  74  13.492 -17.281   4.035
  592   1HB   GLU  74           HB2      GLU  74  16.068 -16.568   5.472
  593   2HB   GLU  74           HB1      GLU  74  15.301 -18.157   5.492
  594   1HG   GLU  74           HG2      GLU  74  15.602 -18.409   3.110
  595   2HG   GLU  74           HG1      GLU  74  16.153 -16.742   2.954
   
  No H/Q in entry =         595
  Start of MODEL           4
 Raw file had  612 H/Q atoms
  Start of MODEL    4
    1   1H    CYS   1           HT2      CYS   1  18.885   8.749   9.355
    2   2H    CYS   1           HT1      CYS   1  18.967   7.096   9.739
    3   3H    CYS   1           HT3      CYS   1  20.214   7.822   8.847
    4    HA   CYS   1           HA       CYS   1  19.061   7.818   6.910
    5   1HB   CYS   1           HB2      CYS   1  19.235   5.477   7.656
    6   2HB   CYS   1           HB1      CYS   1  17.700   5.629   8.511
    7    HG   CYS   1           HG       CYS   1  17.277   6.384   5.634
    8    H    SER   2           HN       SER   2  17.202   8.478   5.778
    9    HA   SER   2           HA       SER   2  15.236   9.958   7.356
   10   1HB   SER   2           HB2      SER   2  15.720  11.078   5.366
   11   2HB   SER   2           HB1      SER   2  15.811   9.588   4.432
   12    HG   SER   2           HG       SER   2  13.370  10.124   5.620
   13    H    ASN   3           HN       ASN   3  13.124   9.357   7.752
   14    HA   ASN   3           HA       ASN   3  12.384   6.557   7.054
   15   1HB   ASN   3           HB2      ASN   3  11.066   8.499   8.977
   16   2HB   ASN   3           HB1      ASN   3  10.698   6.781   8.811
   17   1HD2  ASN   3          HD22      ASN   3  13.181   7.302  11.618
   18   2HD2  ASN   3          HD21      ASN   3  11.657   7.974  11.287
   19    H    GLU   4           HN       GLU   4  11.667   9.817   6.212
   20    HA   GLU   4           HA       GLU   4   8.977   9.209   5.179
   21   1HB   GLU   4           HB2      GLU   4  10.569  11.704   4.574
   22   2HB   GLU   4           HB1      GLU   4   8.817  11.511   4.678
   23   1HG   GLU   4           HG2      GLU   4   9.246  10.874   7.161
   24   2HG   GLU   4           HG1      GLU   4  10.837  11.599   6.919
   25    H    LYS   5           HN       LYS   5   8.452   9.334   2.897
   26    HA   LYS   5           HA       LYS   5   8.826   8.673   0.672
   27   1HB   LYS   5           HB2      LYS   5  11.276  10.384   1.188
   28   2HB   LYS   5           HB1      LYS   5  10.754   9.851  -0.411
   29   1HG   LYS   5           HG2      LYS   5   8.841  11.200  -0.393
   30   2HG   LYS   5           HG1      LYS   5   8.785  11.281   1.368
   31   1HD   LYS   5           HD2      LYS   5  10.708  12.759   1.423
   32   2HD   LYS   5           HD1      LYS   5  10.944  12.581  -0.317
   33   1HE   LYS   5           HE2      LYS   5   8.428  13.719   0.932
   34   2HE   LYS   5           HE1      LYS   5   9.761  14.707   0.338
   35   1HZ   LYS   5           HZ2      LYS   5   9.353  13.121  -1.754
   36   2HZ   LYS   5           HZ1      LYS   5   7.771  13.193  -1.138
   37   3HZ   LYS   5           HZ3      LYS   5   8.582  14.623  -1.559
   38    H    ALA   6           HN       ALA   6  12.279   8.836   1.305
   39    HA   ALA   6           HA       ALA   6  13.925   7.174   1.268
   40   1HB   ALA   6           HB1      ALA   6  12.430   6.413   3.247
   41   2HB   ALA   6           HB3      ALA   6  11.822   5.192   2.130
   42   3HB   ALA   6           HB2      ALA   6  13.535   5.232   2.545
   43    H    ARG   7           HN       ARG   7  13.024   4.269   0.772
   44    HA   ARG   7           HA       ARG   7  13.027   4.499  -2.190
   45   1HB   ARG   7           HB2      ARG   7  13.167   1.908  -0.635
   46   2HB   ARG   7           HB1      ARG   7  13.792   2.257  -2.242
   47   1HG   ARG   7           HG2      ARG   7  14.886   3.600   0.246
   48   2HG   ARG   7           HG1      ARG   7  15.524   2.082  -0.375
   49   1HD   ARG   7           HD2      ARG   7  15.348   4.671  -1.947
   50   2HD   ARG   7           HD1      ARG   7  16.816   4.009  -1.230
   51    HE   ARG   7           HE       ARG   7  15.853   1.953  -2.832
   52   1HH1  ARG   7          HH21      ARG   7  16.657   5.285  -3.222
   53   2HH1  ARG   7          HH22      ARG   7  17.129   5.111  -4.881
   54   1HH2  ARG   7          HH11      ARG   7  16.464   1.711  -4.994
   55   2HH2  ARG   7          HH12      ARG   7  17.022   3.090  -5.882
   56    H    ASP   8           HN       ASP   8  10.782   4.210   0.266
   57    HA   ASP   8           HA       ASP   8   9.008   2.246  -0.898
   58   1HB   ASP   8           HB2      ASP   8   8.182   4.497   0.948
   59   2HB   ASP   8           HB1      ASP   8   7.444   2.900   0.775
   60    H    TRP   9           HN       TRP   9   6.928   2.692  -1.837
   61    HA   TRP   9           HA       TRP   9   6.974   4.653  -3.955
   62   1HB   TRP   9           HB2      TRP   9   4.805   2.882  -2.782
   63   2HB   TRP   9           HB1      TRP   9   4.516   3.954  -4.140
   64    HD1  TRP   9           HD1      TRP   9   7.577   1.672  -3.468
   65    HE1  TRP   9           HE1      TRP   9   7.877   0.122  -5.500
   66    HE3  TRP   9           HE3      TRP   9   3.492   3.037  -6.218
   67    HZ2  TRP   9           HZ2      TRP   9   6.536  -0.498  -7.965
   68    HZ3  TRP   9           HZ3      TRP   9   3.012   1.943  -8.396
   69    HH2  TRP   9           HH2      TRP   9   4.532   0.179  -9.273
   70    H    HIS  10           HN       HIS  10   6.779   6.818  -3.477
   71    HA   HIS  10           HA       HIS  10   5.986   8.108  -1.188
   72   1HB   HIS  10           HB2      HIS  10   4.979   9.141  -3.843
   73   2HB   HIS  10           HB1      HIS  10   5.624  10.053  -2.476
   74    HD1  HIS  10           HD1      HIS  10   6.781  10.222  -5.423
   75    HD2  HIS  10           HD2      HIS  10   8.370   7.906  -2.342
   76    HE1  HIS  10           HE1      HIS  10   9.213   9.826  -6.006
   77    H    ARG  11           HN       ARG  11   3.939   9.020  -0.418
   78    HA   ARG  11           HA       ARG  11   1.772   7.216  -0.370
   79   1HB   ARG  11           HB2      ARG  11   1.655  10.235  -0.024
   80   2HB   ARG  11           HB1      ARG  11   0.398   9.104   0.459
   81   1HG   ARG  11           HG2      ARG  11   1.482   9.226   2.485
   82   2HG   ARG  11           HG1      ARG  11   2.473   7.961   1.767
   83   1HD   ARG  11           HD2      ARG  11   3.760  10.221   0.855
   84   2HD   ARG  11           HD1      ARG  11   3.180  10.773   2.420
   85    HE   ARG  11           HE       ARG  11   5.422   9.113   2.031
   86   1HH1  ARG  11          HH21      ARG  11   2.478   9.061   3.842
   87   2HH1  ARG  11          HH22      ARG  11   3.062   7.909   4.991
   88   1HH2  ARG  11          HH11      ARG  11   6.186   7.628   3.529
   89   2HH2  ARG  11          HH12      ARG  11   5.156   7.105   4.821
   90    H    ALA  12           HN       ALA  12   2.667   9.590  -2.744
   91    HA   ALA  12           HA       ALA  12   0.040   9.476  -4.099
   92   1HB   ALA  12           HB2      ALA  12   2.635  10.920  -4.666
   93   2HB   ALA  12           HB1      ALA  12   1.287  10.916  -5.806
   94   3HB   ALA  12           HB3      ALA  12   1.082  11.615  -4.200
   95    H    ASP  13           HN       ASP  13   3.237   8.049  -4.324
   96    HA   ASP  13           HA       ASP  13   2.960   7.054  -7.018
   97   1HB   ASP  13           HB2      ASP  13   4.657   6.217  -4.673
   98   2HB   ASP  13           HB1      ASP  13   4.746   5.400  -6.234
   99    H    VAL  14           HN       VAL  14   1.832   6.043  -3.899
  100    HA   VAL  14           HA       VAL  14   1.141   3.328  -4.713
  101    HB   VAL  14           HB       VAL  14   0.337   5.040  -2.344
  102   1HG1  VAL  14          HG12      VAL  14  -0.375   2.198  -3.073
  103   2HG1  VAL  14          HG11      VAL  14  -0.394   2.762  -1.403
  104   3HG1  VAL  14          HG13      VAL  14  -1.456   3.509  -2.597
  105   1HG2  VAL  14          HG23      VAL  14   2.278   2.742  -2.707
  106   2HG2  VAL  14          HG22      VAL  14   2.675   4.412  -2.309
  107   3HG2  VAL  14          HG21      VAL  14   1.827   3.407  -1.137
  108    H    ILE  15           HN       ILE  15  -0.771   6.256  -3.947
  109    HA   ILE  15           HA       ILE  15  -3.198   5.062  -5.025
  110    HB   ILE  15           HB       ILE  15  -2.719   7.982  -4.381
  111   1HG1  ILE  15          HG12      ILE  15  -3.923   6.016  -2.422
  112   2HG1  ILE  15          HG11      ILE  15  -2.170   6.129  -2.534
  113   1HG2  ILE  15          HG21      ILE  15  -4.781   7.394  -5.636
  114   2HG2  ILE  15          HG23      ILE  15  -5.214   6.250  -4.366
  115   3HG2  ILE  15          HG22      ILE  15  -5.151   7.977  -4.014
  116   1HD1  ILE  15          HD12      ILE  15  -3.912   8.558  -2.136
  117   2HD1  ILE  15          HD11      ILE  15  -3.246   7.620  -0.799
  118   3HD1  ILE  15          HD13      ILE  15  -2.165   8.419  -1.935
  119    H    ALA  16           HN       ALA  16  -0.998   7.671  -6.171
  120    HA   ALA  16           HA       ALA  16  -2.447   8.298  -8.521
  121   1HB   ALA  16           HB3      ALA  16  -0.340   9.460  -7.629
  122   2HB   ALA  16           HB2      ALA  16   0.571   8.183  -8.438
  123   3HB   ALA  16           HB1      ALA  16  -0.450   9.268  -9.378
  124    H    GLY  17           HN       GLY  17   0.025   5.798  -7.981
  125   1HA   GLY  17           HA2      GLY  17  -0.038   4.778 -10.671
  126   2HA   GLY  17           HA1      GLY  17   0.609   3.932  -9.267
  127    H    LEU  18           HN       LEU  18  -1.531   3.554  -7.646
  128    HA   LEU  18           HA       LEU  18  -2.938   1.413  -8.910
  129   1HB   LEU  18           HB2      LEU  18  -3.282   2.932  -6.327
  130   2HB   LEU  18           HB1      LEU  18  -4.479   1.735  -6.798
  131    HG   LEU  18           HG       LEU  18  -1.541   1.035  -6.795
  132   1HD1  LEU  18          HD13      LEU  18  -2.246   1.948  -4.524
  133   2HD1  LEU  18          HD12      LEU  18  -3.401   0.621  -4.441
  134   3HD1  LEU  18          HD11      LEU  18  -1.674   0.284  -4.525
  135   1HD2  LEU  18          HD22      LEU  18  -4.127  -0.533  -6.522
  136   2HD2  LEU  18          HD21      LEU  18  -2.983  -0.604  -7.860
  137   3HD2  LEU  18          HD23      LEU  18  -2.534  -1.237  -6.280
  138    H    LYS  19           HN       LYS  19  -4.125   4.625  -7.896
  139    HA   LYS  19           HA       LYS  19  -6.706   4.405  -9.065
  140   1HB   LYS  19           HB2      LYS  19  -6.080   6.188  -7.471
  141   2HB   LYS  19           HB1      LYS  19  -5.013   6.892  -8.685
  142   1HG   LYS  19           HG2      LYS  19  -6.828   7.453 -10.115
  143   2HG   LYS  19           HG1      LYS  19  -7.953   6.436  -9.217
  144   1HD   LYS  19           HD2      LYS  19  -6.569   8.703  -7.788
  145   2HD   LYS  19           HD1      LYS  19  -7.938   9.061  -8.838
  146   1HE   LYS  19           HE2      LYS  19  -9.295   7.379  -7.568
  147   2HE   LYS  19           HE1      LYS  19  -7.936   7.175  -6.462
  148   1HZ   LYS  19           HZ1      LYS  19  -9.155   9.813  -7.024
  149   2HZ   LYS  19           HZ3      LYS  19  -9.695   8.810  -5.768
  150   3HZ   LYS  19           HZ2      LYS  19  -8.100   9.396  -5.759
  151    H    LYS  20           HN       LYS  20  -3.661   4.617 -10.574
  152    HA   LYS  20           HA       LYS  20  -4.265   6.122 -12.888
  153   1HB   LYS  20           HB2      LYS  20  -1.993   5.139 -12.241
  154   2HB   LYS  20           HB1      LYS  20  -2.578   3.609 -12.893
  155   1HG   LYS  20           HG2      LYS  20  -3.117   4.908 -15.040
  156   2HG   LYS  20           HG1      LYS  20  -2.141   6.213 -14.365
  157   1HD   LYS  20           HD2      LYS  20  -0.237   4.632 -14.120
  158   2HD   LYS  20           HD1      LYS  20  -1.211   3.374 -14.878
  159   1HE   LYS  20           HE2      LYS  20  -0.532   6.025 -16.180
  160   2HE   LYS  20           HE1      LYS  20   0.323   4.514 -16.489
  161   1HZ   LYS  20           HZ2      LYS  20  -2.335   3.902 -16.771
  162   2HZ   LYS  20           HZ1      LYS  20  -2.171   5.417 -17.521
  163   3HZ   LYS  20           HZ3      LYS  20  -1.207   4.115 -18.025
  164    H    ARG  21           HN       ARG  21  -5.165   2.916 -11.929
  165    HA   ARG  21           HA       ARG  21  -6.491   2.433 -14.552
  166   1HB   ARG  21           HB2      ARG  21  -5.906   0.718 -12.122
  167   2HB   ARG  21           HB1      ARG  21  -7.063   0.211 -13.354
  168   1HG   ARG  21           HG2      ARG  21  -5.324   0.390 -15.085
  169   2HG   ARG  21           HG1      ARG  21  -4.162   0.929 -13.869
  170   1HD   ARG  21           HD2      ARG  21  -3.972  -1.515 -14.385
  171   2HD   ARG  21           HD1      ARG  21  -4.336  -1.193 -12.688
  172    HE   ARG  21           HE       ARG  21  -6.830  -1.513 -13.862
  173   1HH1  ARG  21          HH21      ARG  21  -3.882  -3.295 -13.711
  174   2HH1  ARG  21          HH22      ARG  21  -4.657  -4.842 -13.805
  175   1HH2  ARG  21          HH11      ARG  21  -7.859  -3.521 -13.988
  176   2HH2  ARG  21          HH12      ARG  21  -6.909  -4.970 -13.961
  177    H    LYS  22           HN       LYS  22  -7.740   1.220 -11.542
  178    HA   LYS  22           HA       LYS  22  -9.663   3.402 -11.232
  179   1HB   LYS  22           HB2      LYS  22 -10.578   0.624 -12.069
  180   2HB   LYS  22           HB1      LYS  22 -11.651   1.864 -11.425
  181   1HG   LYS  22           HG2      LYS  22 -10.771   3.382 -13.299
  182   2HG   LYS  22           HG1      LYS  22 -10.083   1.923 -14.007
  183   1HD   LYS  22           HD2      LYS  22 -12.154   1.947 -15.068
  184   2HD   LYS  22           HD1      LYS  22 -12.546   0.971 -13.653
  185   1HE   LYS  22           HE2      LYS  22 -14.277   2.547 -13.647
  186   2HE   LYS  22           HE1      LYS  22 -13.115   3.301 -12.554
  187   1HZ   LYS  22           HZ3      LYS  22 -12.947   3.852 -15.435
  188   2HZ   LYS  22           HZ2      LYS  22 -14.130   4.647 -14.509
  189   3HZ   LYS  22           HZ1      LYS  22 -12.486   4.825 -14.124
  190    H    LEU  23           HN       LEU  23  -7.849   2.770  -9.371
  191    HA   LEU  23           HA       LEU  23  -9.393   1.219  -7.306
  192   1HB   LEU  23           HB2      LEU  23  -6.419   1.213  -7.825
  193   2HB   LEU  23           HB1      LEU  23  -7.158   0.511  -6.395
  194    HG   LEU  23           HG       LEU  23  -7.599  -0.347  -9.272
  195   1HD1  LEU  23          HD13      LEU  23  -6.190  -1.615  -6.897
  196   2HD1  LEU  23          HD12      LEU  23  -6.491  -2.437  -8.433
  197   3HD1  LEU  23          HD11      LEU  23  -5.439  -1.027  -8.381
  198   1HD2  LEU  23          HD23      LEU  23  -8.968  -1.080  -6.689
  199   2HD2  LEU  23          HD22      LEU  23  -9.663  -0.867  -8.293
  200   3HD2  LEU  23          HD21      LEU  23  -8.749  -2.324  -7.917
  201    H    SER  24           HN       SER  24  -9.190   1.982  -5.172
  202    HA   SER  24           HA       SER  24  -7.534   4.367  -4.641
  203   1HB   SER  24           HB2      SER  24  -9.597   5.535  -3.663
  204   2HB   SER  24           HB1      SER  24  -9.479   5.504  -5.422
  205    HG   SER  24           HG       SER  24 -11.495   4.714  -4.077
  206    H    LEU  25           HN       LEU  25  -6.808   4.267  -2.522
  207    HA   LEU  25           HA       LEU  25  -7.090   2.013  -0.915
  208   1HB   LEU  25           HB2      LEU  25  -6.782   4.867   0.070
  209   2HB   LEU  25           HB1      LEU  25  -6.452   3.420   1.025
  210    HG   LEU  25           HG       LEU  25  -5.070   3.873  -1.626
  211   1HD1  LEU  25          HD11      LEU  25  -4.686   5.872  -0.191
  212   2HD1  LEU  25          HD13      LEU  25  -4.089   4.812   1.085
  213   3HD1  LEU  25          HD12      LEU  25  -3.215   4.932  -0.442
  214   1HD2  LEU  25          HD21      LEU  25  -4.449   2.280   0.889
  215   2HD2  LEU  25          HD23      LEU  25  -4.816   1.643  -0.714
  216   3HD2  LEU  25          HD22      LEU  25  -3.303   2.498  -0.431
  217    H    SER  26           HN       SER  26  -9.323   4.704  -1.234
  218    HA   SER  26           HA       SER  26 -10.931   3.960   1.072
  219   1HB   SER  26           HB2      SER  26 -12.616   5.518   0.028
  220   2HB   SER  26           HB1      SER  26 -11.035   6.249   0.294
  221    HG   SER  26           HG       SER  26 -10.704   5.352  -2.001
  222    H    ALA  27           HN       ALA  27 -10.927   3.186  -2.368
  223    HA   ALA  27           HA       ALA  27 -13.513   1.911  -2.401
  224   1HB   ALA  27           HB2      ALA  27 -11.067   1.627  -4.165
  225   2HB   ALA  27           HB1      ALA  27 -12.580   0.778  -4.478
  226   3HB   ALA  27           HB3      ALA  27 -12.536   2.541  -4.507
  227    H    LEU  28           HN       LEU  28 -10.196   0.674  -2.024
  228    HA   LEU  28           HA       LEU  28 -10.882  -2.078  -1.715
  229   1HB   LEU  28           HB2      LEU  28  -8.559  -0.375  -0.791
  230   2HB   LEU  28           HB1      LEU  28  -8.667  -2.076  -0.340
  231    HG   LEU  28           HG       LEU  28  -8.667  -2.765  -2.644
  232   1HD1  LEU  28          HD11      LEU  28  -8.925   0.191  -3.211
  233   2HD1  LEU  28          HD13      LEU  28  -8.425  -0.969  -4.438
  234   3HD1  LEU  28          HD12      LEU  28 -10.020  -1.102  -3.699
  235   1HD2  LEU  28          HD23      LEU  28  -6.479  -2.065  -1.543
  236   2HD2  LEU  28          HD22      LEU  28  -6.464  -2.063  -3.308
  237   3HD2  LEU  28          HD21      LEU  28  -6.620  -0.543  -2.424
  238    H    SER  29           HN       SER  29 -10.772   0.631   0.527
  239    HA   SER  29           HA       SER  29 -11.105  -0.892   2.942
  240   1HB   SER  29           HB2      SER  29 -11.459   1.191   3.988
  241   2HB   SER  29           HB1      SER  29 -10.429   1.594   2.623
  242    HG   SER  29           HG       SER  29 -12.264   2.976   2.820
  243    H    ARG  30           HN       ARG  30 -13.436   0.804   0.840
  244    HA   ARG  30           HA       ARG  30 -15.758  -0.001   2.348
  245   1HB   ARG  30           HB2      ARG  30 -15.928   1.937   0.954
  246   2HB   ARG  30           HB1      ARG  30 -15.355   1.057  -0.458
  247   1HG   ARG  30           HG2      ARG  30 -17.816  -0.061   0.818
  248   2HG   ARG  30           HG1      ARG  30 -18.005   1.519   0.074
  249   1HD   ARG  30           HD2      ARG  30 -17.000   0.594  -2.033
  250   2HD   ARG  30           HD1      ARG  30 -17.022  -1.002  -1.287
  251    HE   ARG  30           HE       ARG  30 -19.629  -0.095  -1.009
  252   1HH1  ARG  30          HH21      ARG  30 -17.353  -0.494  -3.567
  253   2HH1  ARG  30          HH22      ARG  30 -18.560  -0.789  -4.774
  254   1HH2  ARG  30          HH11      ARG  30 -21.219  -0.477  -2.570
  255   2HH2  ARG  30          HH12      ARG  30 -20.749  -0.779  -4.209
  256    H    GLN  31           HN       GLN  31 -14.041  -1.368  -0.412
  257    HA   GLN  31           HA       GLN  31 -16.038  -3.296  -1.104
  258   1HB   GLN  31           HB2      GLN  31 -13.069  -3.119  -1.617
  259   2HB   GLN  31           HB1      GLN  31 -14.065  -4.425  -2.257
  260   1HG   GLN  31           HG2      GLN  31 -15.416  -2.913  -3.521
  261   2HG   GLN  31           HG1      GLN  31 -14.765  -1.505  -2.673
  262   1HE2  GLN  31          HE22      GLN  31 -12.903  -2.824  -5.979
  263   2HE2  GLN  31          HE21      GLN  31 -14.446  -3.349  -5.507
  264    H    PHE  32           HN       PHE  32 -13.522  -3.318   1.356
  265    HA   PHE  32           HA       PHE  32 -14.116  -6.211   1.912
  266   1HB   PHE  32           HB2      PHE  32 -11.766  -4.419   2.566
  267   2HB   PHE  32           HB1      PHE  32 -12.055  -5.903   3.477
  268    HD1  PHE  32           HD1      PHE  32 -11.473  -4.551   0.044
  269    HD2  PHE  32           HD2      PHE  32 -11.592  -8.058   2.546
  270    HE1  PHE  32           HE1      PHE  32 -10.484  -5.898  -1.797
  271    HE2  PHE  32           HE2      PHE  32 -10.598  -9.403   0.704
  272    HZ   PHE  32           HZ       PHE  32 -10.044  -8.323  -1.468
  273    H    GLY  33           HN       GLY  33 -14.300  -2.964   3.279
  274   1HA   GLY  33           HA2      GLY  33 -16.242  -2.666   4.854
  275   2HA   GLY  33           HA1      GLY  33 -15.689  -4.121   5.675
  276    H    TYR  34           HN       TYR  34 -12.960  -3.663   5.871
  277    HA   TYR  34           HA       TYR  34 -12.682  -2.174   8.191
  278   1HB   TYR  34           HB2      TYR  34 -10.510  -2.173   6.092
  279   2HB   TYR  34           HB1      TYR  34 -10.338  -2.194   7.849
  280    HD1  TYR  34           HD2      TYR  34 -11.886  -4.235   8.940
  281    HD2  TYR  34           HD1      TYR  34  -9.984  -4.214   5.073
  282    HE1  TYR  34           HE2      TYR  34 -11.913  -6.720   8.912
  283    HE2  TYR  34           HE1      TYR  34 -10.019  -6.694   5.047
  284    HH   TYR  34           HH       TYR  34 -10.562  -8.565   7.763
  285    H    ALA  35           HN       ALA  35 -12.908  -0.055   8.666
  286    HA   ALA  35           HA       ALA  35 -13.704   1.933   6.906
  287   1HB   ALA  35           HB1      ALA  35 -12.478   1.889   9.611
  288   2HB   ALA  35           HB3      ALA  35 -12.368   3.436   8.772
  289   3HB   ALA  35           HB2      ALA  35 -13.944   2.702   9.068
  290    HA   PRO  36           HA       PRO  36 -10.266   3.140   4.414
  291   1HB   PRO  36           HB2      PRO  36 -10.385   5.984   4.968
  292   2HB   PRO  36           HB1      PRO  36 -10.973   5.130   3.537
  293   1HG   PRO  36           HG2      PRO  36 -12.540   6.255   5.717
  294   2HG   PRO  36           HG1      PRO  36 -13.125   5.500   4.229
  295   1HD   PRO  36           HD2      PRO  36 -13.257   4.396   6.863
  296   2HD   PRO  36           HD1      PRO  36 -13.655   3.574   5.341
  297    H    THR  37           HN       THR  37 -10.439   4.433   7.696
  298    HA   THR  37           HA       THR  37  -7.767   5.364   7.939
  299    HB   THR  37           HB       THR  37  -8.070   5.000  10.373
  300    HG1  THR  37           HG1      THR  37 -10.590   4.174  10.356
  301   1HG2  THR  37          HG21      THR  37 -10.409   6.127   8.825
  302   2HG2  THR  37          HG23      THR  37 -10.254   6.288  10.575
  303   3HG2  THR  37          HG22      THR  37  -9.045   7.008   9.511
  304    H    THR  38           HN       THR  38  -9.135   2.124   8.483
  305    HA   THR  38           HA       THR  38  -6.800   0.839   9.414
  306    HB   THR  38           HB       THR  38  -9.096  -0.192   7.727
  307    HG1  THR  38           HG1      THR  38  -8.802  -1.136  10.237
  308   1HG2  THR  38          HG22      THR  38  -6.663  -1.592   8.804
  309   2HG2  THR  38          HG21      THR  38  -8.206  -2.445   8.774
  310   3HG2  THR  38          HG23      THR  38  -7.506  -1.838   7.273
  311    H    LEU  39           HN       LEU  39  -7.996   0.787   6.032
  312    HA   LEU  39           HA       LEU  39  -5.766  -0.402   4.875
  313   1HB   LEU  39           HB2      LEU  39  -8.102   0.792   3.940
  314   2HB   LEU  39           HB1      LEU  39  -6.862   1.805   3.225
  315    HG   LEU  39           HG       LEU  39  -7.205   0.147   1.606
  316   1HD1  LEU  39          HD13      LEU  39  -4.726   0.280   2.714
  317   2HD1  LEU  39          HD12      LEU  39  -5.052  -1.439   2.958
  318   3HD1  LEU  39          HD11      LEU  39  -5.105  -0.751   1.336
  319   1HD2  LEU  39          HD22      LEU  39  -7.431  -1.764   3.941
  320   2HD2  LEU  39          HD21      LEU  39  -8.651  -1.368   2.731
  321   3HD2  LEU  39          HD23      LEU  39  -7.246  -2.336   2.283
  322    H    ALA  40           HN       ALA  40  -6.305   3.131   5.093
  323    HA   ALA  40           HA       ALA  40  -3.793   3.948   4.123
  324   1HB   ALA  40           HB1      ALA  40  -5.838   5.388   4.697
  325   2HB   ALA  40           HB3      ALA  40  -5.242   5.377   6.355
  326   3HB   ALA  40           HB2      ALA  40  -4.258   6.078   5.070
  327    H    ASN  41           HN       ASN  41  -4.713   3.654   7.571
  328    HA   ASN  41           HA       ASN  41  -2.153   4.130   8.641
  329   1HB   ASN  41           HB2      ASN  41  -4.344   3.956   9.910
  330   2HB   ASN  41           HB1      ASN  41  -4.173   2.201   9.813
  331   1HD2  ASN  41          HD22      ASN  41  -0.844   3.511  11.661
  332   2HD2  ASN  41          HD21      ASN  41  -1.104   3.723   9.999
  333    H    ALA  42           HN       ALA  42  -3.130   1.481   6.735
  334    HA   ALA  42           HA       ALA  42  -1.456  -0.544   7.964
  335   1HB   ALA  42           HB2      ALA  42  -3.404  -0.954   6.353
  336   2HB   ALA  42           HB1      ALA  42  -2.301  -0.474   5.062
  337   3HB   ALA  42           HB3      ALA  42  -1.937  -1.887   6.049
  338    H    LEU  43           HN       LEU  43  -0.426   2.255   6.937
  339    HA   LEU  43           HA       LEU  43   1.678   1.408   5.065
  340   1HB   LEU  43           HB2      LEU  43   0.999   4.037   6.392
  341   2HB   LEU  43           HB1      LEU  43   2.426   3.834   5.378
  342    HG   LEU  43           HG       LEU  43  -0.365   3.126   4.431
  343   1HD1  LEU  43          HD13      LEU  43  -0.236   5.530   5.081
  344   2HD1  LEU  43          HD12      LEU  43   1.126   5.727   3.977
  345   3HD1  LEU  43          HD11      LEU  43  -0.467   5.307   3.347
  346   1HD2  LEU  43          HD22      LEU  43   2.349   3.409   3.137
  347   2HD2  LEU  43          HD21      LEU  43   1.154   2.129   2.943
  348   3HD2  LEU  43          HD23      LEU  43   0.897   3.695   2.183
  349    H    GLU  44           HN       GLU  44   1.398   2.273   8.495
  350    HA   GLU  44           HA       GLU  44   4.187   1.255   8.883
  351   1HB   GLU  44           HB2      GLU  44   4.491   2.999  10.647
  352   2HB   GLU  44           HB1      GLU  44   4.335   3.666   9.024
  353   1HG   GLU  44           HG2      GLU  44   2.910   5.023  10.328
  354   2HG   GLU  44           HG1      GLU  44   1.811   3.879   9.565
  355    H    ARG  45           HN       ARG  45   0.966   0.867   9.659
  356    HA   ARG  45           HA       ARG  45   1.290   0.204  12.482
  357   1HB   ARG  45           HB2      ARG  45  -0.895   0.891  11.287
  358   2HB   ARG  45           HB1      ARG  45  -0.941  -0.767  10.686
  359   1HG   ARG  45           HG2      ARG  45  -2.185  -0.984  12.648
  360   2HG   ARG  45           HG1      ARG  45  -0.575  -1.403  13.228
  361   1HD   ARG  45           HD2      ARG  45  -0.252   0.824  14.129
  362   2HD   ARG  45           HD1      ARG  45  -1.734   1.400  13.373
  363    HE   ARG  45           HE       ARG  45  -2.553  -0.714  14.987
  364   1HH1  ARG  45          HH21      ARG  45  -0.781   2.222  15.375
  365   2HH1  ARG  45          HH22      ARG  45  -1.289   2.464  17.013
  366   1HH2  ARG  45          HH11      ARG  45  -3.224  -0.409  17.118
  367   2HH2  ARG  45          HH12      ARG  45  -2.669   0.975  18.000
  368    H    HIS  46           HN       HIS  46   1.591  -1.863  13.373
  369    HA   HIS  46           HA       HIS  46   2.996  -3.805  11.802
  370   1HB   HIS  46           HB2      HIS  46   1.529  -4.342  14.402
  371   2HB   HIS  46           HB1      HIS  46   2.931  -5.202  13.761
  372    HD1  HIS  46           HD1      HIS  46   3.505  -1.762  13.040
  373    HD2  HIS  46           HD2      HIS  46   3.856  -4.085  16.485
  374    HE1  HIS  46           HE1      HIS  46   5.035  -0.492  14.608
  375    H    TRP  47           HN       TRP  47   1.517  -4.109   9.976
  376    HA   TRP  47           HA       TRP  47  -0.281  -6.365  10.374
  377   1HB   TRP  47           HB2      TRP  47  -1.708  -4.458  11.094
  378   2HB   TRP  47           HB1      TRP  47  -1.455  -3.698   9.525
  379    HD1  TRP  47           HD1      TRP  47  -2.380  -7.347  10.480
  380    HE1  TRP  47           HE1      TRP  47  -4.446  -8.021   9.098
  381    HE3  TRP  47           HE3      TRP  47  -3.247  -2.959   8.006
  382    HZ2  TRP  47           HZ2      TRP  47  -6.242  -6.854   7.186
  383    HZ3  TRP  47           HZ3      TRP  47  -5.144  -2.761   6.414
  384    HH2  TRP  47           HH2      TRP  47  -6.642  -4.703   6.006
  385    HA   PRO  48           HA       PRO  48   1.926  -5.714   6.290
  386   1HB   PRO  48           HB2      PRO  48   2.539  -8.568   6.399
  387   2HB   PRO  48           HB1      PRO  48   3.661  -7.197   6.396
  388   1HG   PRO  48           HG2      PRO  48   3.040  -8.886   8.619
  389   2HG   PRO  48           HG1      PRO  48   4.010  -7.404   8.653
  390   1HD   PRO  48           HD2      PRO  48   1.308  -7.823   9.678
  391   2HD   PRO  48           HD1      PRO  48   2.348  -6.388   9.867
  392    H    LYS  49           HN       LYS  49  -0.621  -7.737   7.479
  393    HA   LYS  49           HA       LYS  49  -1.288  -9.021   4.976
  394   1HB   LYS  49           HB2      LYS  49  -2.058  -9.744   7.291
  395   2HB   LYS  49           HB1      LYS  49  -3.171  -8.385   7.259
  396   1HG   LYS  49           HG2      LYS  49  -4.392 -10.325   6.538
  397   2HG   LYS  49           HG1      LYS  49  -4.141  -9.306   5.127
  398   1HD   LYS  49           HD2      LYS  49  -2.590 -10.763   4.172
  399   2HD   LYS  49           HD1      LYS  49  -2.115 -11.451   5.724
  400   1HE   LYS  49           HE2      LYS  49  -3.636 -12.843   4.068
  401   2HE   LYS  49           HE1      LYS  49  -3.953 -12.885   5.803
  402   1HZ   LYS  49           HZ3      LYS  49  -5.243 -10.889   4.049
  403   2HZ   LYS  49           HZ2      LYS  49  -5.905 -12.439   4.259
  404   3HZ   LYS  49           HZ1      LYS  49  -5.717 -11.405   5.594
  405    H    GLY  50           HN       GLY  50  -1.624  -5.814   6.131
  406   1HA   GLY  50           HA2      GLY  50  -3.969  -5.102   4.525
  407   2HA   GLY  50           HA1      GLY  50  -2.891  -3.968   5.345
  408    H    GLU  51           HN       GLU  51  -0.470  -5.128   4.121
  409    HA   GLU  51           HA       GLU  51  -0.455  -3.550   1.694
  410   1HB   GLU  51           HB2      GLU  51   1.600  -5.644   2.434
  411   2HB   GLU  51           HB1      GLU  51   1.839  -4.154   1.519
  412   1HG   GLU  51           HG2      GLU  51   1.181  -2.883   3.611
  413   2HG   GLU  51           HG1      GLU  51   1.247  -4.417   4.475
  414    H    GLN  52           HN       GLN  52  -0.786  -6.968   2.496
  415    HA   GLN  52           HA       GLN  52  -0.537  -8.025  -0.147
  416   1HB   GLN  52           HB2      GLN  52  -2.130  -8.997   2.249
  417   2HB   GLN  52           HB1      GLN  52  -1.913  -9.932   0.767
  418   1HG   GLN  52           HG2      GLN  52   0.567  -9.731   1.070
  419   2HG   GLN  52           HG1      GLN  52   0.274  -8.952   2.625
  420   1HE2  GLN  52          HE22      GLN  52  -1.426 -12.613   2.801
  421   2HE2  GLN  52          HE21      GLN  52  -2.054 -11.383   1.818
  422    H    ILE  53           HN       ILE  53  -3.284  -6.643   1.634
  423    HA   ILE  53           HA       ILE  53  -5.357  -7.268  -0.195
  424    HB   ILE  53           HB       ILE  53  -4.932  -4.851   1.592
  425   1HG1  ILE  53          HG12      ILE  53  -6.773  -7.253   1.846
  426   2HG1  ILE  53          HG11      ILE  53  -5.194  -7.140   2.620
  427   1HG2  ILE  53          HG23      ILE  53  -7.332  -5.661  -0.073
  428   2HG2  ILE  53          HG22      ILE  53  -7.434  -4.536   1.283
  429   3HG2  ILE  53          HG21      ILE  53  -6.457  -4.129  -0.126
  430   1HD1  ILE  53          HD11      ILE  53  -6.217  -4.824   3.527
  431   2HD1  ILE  53          HD13      ILE  53  -7.736  -5.686   3.274
  432   3HD1  ILE  53          HD12      ILE  53  -6.515  -6.349   4.355
  433    H    ILE  54           HN       ILE  54  -3.250  -4.365  -0.088
  434    HA   ILE  54           HA       ILE  54  -4.278  -3.196  -2.494
  435    HB   ILE  54           HB       ILE  54  -1.592  -2.905  -1.117
  436   1HG1  ILE  54          HG12      ILE  54  -3.888  -0.938  -1.161
  437   2HG1  ILE  54          HG11      ILE  54  -3.851  -2.247   0.021
  438   1HG2  ILE  54          HG22      ILE  54  -2.857  -1.405  -3.420
  439   2HG2  ILE  54          HG21      ILE  54  -1.561  -0.717  -2.446
  440   3HG2  ILE  54          HG23      ILE  54  -1.275  -2.183  -3.377
  441   1HD1  ILE  54          HD12      ILE  54  -1.528  -1.463   0.682
  442   2HD1  ILE  54          HD11      ILE  54  -1.799  -0.033  -0.309
  443   3HD1  ILE  54          HD13      ILE  54  -2.827  -0.348   1.080
  444    H    ALA  55           HN       ALA  55  -1.229  -5.024  -1.965
  445    HA   ALA  55           HA       ALA  55  -0.429  -5.094  -4.679
  446   1HB   ALA  55           HB2      ALA  55   0.915  -5.823  -2.637
  447   2HB   ALA  55           HB1      ALA  55   0.023  -7.342  -2.703
  448   3HB   ALA  55           HB3      ALA  55   1.055  -6.866  -4.052
  449    H    ASN  56           HN       ASN  56  -2.717  -7.112  -2.916
  450    HA   ASN  56           HA       ASN  56  -2.992  -9.208  -4.814
  451   1HB   ASN  56           HB2      ASN  56  -4.878  -7.986  -2.795
  452   2HB   ASN  56           HB1      ASN  56  -5.422  -9.269  -3.871
  453   1HD2  ASN  56          HD22      ASN  56  -2.725 -11.472  -2.442
  454   2HD2  ASN  56          HD21      ASN  56  -3.010 -10.821  -3.983
  455    H    ALA  57           HN       ALA  57  -4.449  -5.987  -4.659
  456    HA   ALA  57           HA       ALA  57  -6.289  -6.340  -6.812
  457   1HB   ALA  57           HB2      ALA  57  -6.076  -4.397  -5.088
  458   2HB   ALA  57           HB1      ALA  57  -4.944  -3.703  -6.249
  459   3HB   ALA  57           HB3      ALA  57  -6.614  -4.017  -6.722
  460    H    LEU  58           HN       LEU  58  -2.880  -5.342  -6.781
  461    HA   LEU  58           HA       LEU  58  -2.886  -4.975  -9.711
  462   1HB   LEU  58           HB2      LEU  58  -0.749  -4.784  -7.575
  463   2HB   LEU  58           HB1      LEU  58  -0.392  -4.616  -9.287
  464    HG   LEU  58           HG       LEU  58  -2.475  -2.929  -7.875
  465   1HD1  LEU  58          HD12      LEU  58   0.465  -2.340  -8.372
  466   2HD1  LEU  58          HD11      LEU  58  -0.714  -1.163  -7.793
  467   3HD1  LEU  58          HD13      LEU  58  -0.301  -2.561  -6.799
  468   1HD2  LEU  58          HD21      LEU  58  -1.133  -2.883 -10.585
  469   2HD2  LEU  58          HD23      LEU  58  -2.844  -2.723 -10.192
  470   3HD2  LEU  58          HD22      LEU  58  -1.743  -1.388  -9.883
  471    H    GLU  59           HN       GLU  59  -3.075  -7.609  -7.882
  472    HA   GLU  59           HA       GLU  59  -2.400  -9.841  -8.116
  473   1HB   GLU  59           HB2      GLU  59  -1.807  -8.957 -10.956
  474   2HB   GLU  59           HB1      GLU  59  -2.097 -10.609 -10.409
  475   1HG   GLU  59           HG2      GLU  59  -4.378 -10.034  -9.755
  476   2HG   GLU  59           HG1      GLU  59  -4.103  -8.345 -10.184
  477    H    THR  60           HN       THR  60  -0.341  -7.595  -7.588
  478    HA   THR  60           HA       THR  60   2.111  -9.121  -8.413
  479    HB   THR  60           HB       THR  60   1.802  -6.647  -9.116
  480    HG1  THR  60           HG1      THR  60   3.867  -6.787  -9.322
  481   1HG2  THR  60          HG23      THR  60   1.094  -6.046  -6.686
  482   2HG2  THR  60          HG22      THR  60   2.825  -6.079  -6.340
  483   3HG2  THR  60          HG21      THR  60   2.187  -4.948  -7.534
  484    H    LYS  61           HN       LYS  61   3.927  -8.243  -6.575
  485    HA   LYS  61           HA       LYS  61   2.848  -9.381  -4.038
  486   1HB   LYS  61           HB2      LYS  61   5.731  -9.028  -4.895
  487   2HB   LYS  61           HB1      LYS  61   5.165  -9.934  -3.498
  488   1HG   LYS  61           HG2      LYS  61   4.258 -11.656  -4.818
  489   2HG   LYS  61           HG1      LYS  61   4.214 -10.661  -6.270
  490   1HD   LYS  61           HD2      LYS  61   6.780 -11.505  -4.898
  491   2HD   LYS  61           HD1      LYS  61   6.061 -12.390  -6.239
  492   1HE   LYS  61           HE2      LYS  61   7.355 -11.026  -7.548
  493   2HE   LYS  61           HE1      LYS  61   6.132  -9.797  -7.232
  494   1HZ   LYS  61           HZ1      LYS  61   7.477  -9.329  -5.136
  495   2HZ   LYS  61           HZ3      LYS  61   8.718 -10.216  -5.871
  496   3HZ   LYS  61           HZ2      LYS  61   8.126  -8.809  -6.618
  497    HA   PRO  62           HA       PRO  62   3.279  -5.380  -2.101
  498   1HB   PRO  62           HB2      PRO  62   4.225  -6.322   0.444
  499   2HB   PRO  62           HB1      PRO  62   2.556  -5.940   0.006
  500   1HG   PRO  62           HG2      PRO  62   3.786  -8.583   0.365
  501   2HG   PRO  62           HG1      PRO  62   2.073  -8.172   0.204
  502   1HD   PRO  62           HD2      PRO  62   3.691  -9.431  -1.772
  503   2HD   PRO  62           HD1      PRO  62   2.056  -8.772  -2.006
  504    H    GLU  63           HN       GLU  63   5.814  -7.725  -2.265
  505    HA   GLU  63           HA       GLU  63   7.997  -6.194  -1.222
  506   1HB   GLU  63           HB2      GLU  63   7.957  -8.356  -3.352
  507   2HB   GLU  63           HB1      GLU  63   9.408  -7.757  -2.546
  508   1HG   GLU  63           HG2      GLU  63   8.679  -8.566  -0.421
  509   2HG   GLU  63           HG1      GLU  63   7.049  -8.877  -1.019
  510    H    VAL  64           HN       VAL  64   6.142  -5.844  -4.073
  511    HA   VAL  64           HA       VAL  64   8.285  -4.473  -5.585
  512    HB   VAL  64           HB       VAL  64   5.361  -4.685  -6.325
  513   1HG1  VAL  64          HG11      VAL  64   6.950  -3.161  -7.590
  514   2HG1  VAL  64          HG13      VAL  64   7.843  -4.609  -8.056
  515   3HG1  VAL  64          HG12      VAL  64   6.168  -4.401  -8.569
  516   1HG2  VAL  64          HG22      VAL  64   7.596  -6.685  -6.800
  517   2HG2  VAL  64          HG21      VAL  64   6.171  -6.940  -5.796
  518   3HG2  VAL  64          HG23      VAL  64   5.997  -6.763  -7.539
  519    H    ILE  65           HN       ILE  65   5.419  -3.673  -3.675
  520    HA   ILE  65           HA       ILE  65   5.593  -0.834  -4.483
  521    HB   ILE  65           HB       ILE  65   3.766  -2.218  -2.506
  522   1HG1  ILE  65          HG12      ILE  65   2.915  -1.082  -5.170
  523   2HG1  ILE  65          HG11      ILE  65   3.685  -2.669  -5.130
  524   1HG2  ILE  65          HG21      ILE  65   3.918   0.613  -3.551
  525   2HG2  ILE  65          HG23      ILE  65   2.439  -0.048  -2.855
  526   3HG2  ILE  65          HG22      ILE  65   3.897   0.073  -1.873
  527   1HD1  ILE  65          HD12      ILE  65   1.995  -3.417  -3.454
  528   2HD1  ILE  65          HD11      ILE  65   1.184  -1.858  -3.606
  529   3HD1  ILE  65          HD13      ILE  65   1.264  -2.951  -4.989
  530    H    TRP  66           HN       TRP  66   6.715  -2.905  -1.926
  531    HA   TRP  66           HA       TRP  66   7.854  -0.495  -0.546
  532   1HB   TRP  66           HB2      TRP  66   6.443  -2.861   0.701
  533   2HB   TRP  66           HB1      TRP  66   7.516  -1.807   1.622
  534    HD1  TRP  66           HD1      TRP  66   6.830   0.829   1.712
  535    HE1  TRP  66           HE1      TRP  66   4.510   1.949   1.628
  536    HE3  TRP  66           HE3      TRP  66   4.063  -3.042  -0.157
  537    HZ2  TRP  66           HZ2      TRP  66   1.825   1.294   0.862
  538    HZ3  TRP  66           HZ3      TRP  66   1.623  -2.770  -0.558
  539    HH2  TRP  66           HH2      TRP  66   0.504  -0.607  -0.051
  540    HA   PRO  67           HA       PRO  67  11.091  -3.703  -1.452
  541   1HB   PRO  67           HB2      PRO  67  12.790  -1.896  -2.773
  542   2HB   PRO  67           HB1      PRO  67  11.659  -3.001  -3.573
  543   1HG   PRO  67           HG2      PRO  67  11.465  -0.070  -3.260
  544   2HG   PRO  67           HG1      PRO  67  10.567  -1.130  -4.354
  545   1HD   PRO  67           HD2      PRO  67   9.606   0.060  -1.923
  546   2HD   PRO  67           HD1      PRO  67   8.753  -1.102  -2.958
  547    H    SER  68           HN       SER  68  10.797  -0.702   0.100
  548    HA   SER  68           HA       SER  68  13.076   0.303   1.050
  549   1HB   SER  68           HB2      SER  68  11.146   1.068   2.132
  550   2HB   SER  68           HB1      SER  68  10.660  -0.555   2.619
  551    HG   SER  68           HG       SER  68  12.377   1.228   3.813
  552    H    ARG  69           HN       ARG  69  12.119  -1.685   3.687
  553    HA   ARG  69           HA       ARG  69  14.816  -3.001   3.633
  554   1HB   ARG  69           HB2      ARG  69  12.893  -2.428   5.910
  555   2HB   ARG  69           HB1      ARG  69  14.398  -3.336   6.087
  556   1HG   ARG  69           HG2      ARG  69  15.543  -1.280   5.005
  557   2HG   ARG  69           HG1      ARG  69  14.047  -0.423   5.356
  558   1HD   ARG  69           HD2      ARG  69  15.959  -1.712   7.296
  559   2HD   ARG  69           HD1      ARG  69  15.462  -0.026   7.237
  560    HE   ARG  69           HE       ARG  69  14.171  -2.147   8.685
  561   1HH1  ARG  69          HH21      ARG  69  13.413   0.540   6.649
  562   2HH1  ARG  69          HH22      ARG  69  11.763   0.614   7.159
  563   1HH2  ARG  69          HH11      ARG  69  12.037  -2.043   9.362
  564   2HH2  ARG  69          HH12      ARG  69  10.986  -0.839   8.693
  565    H    TYR  70           HN       TYR  70  13.322  -4.368   1.968
  566    HA   TYR  70           HA       TYR  70  12.009  -6.601   3.499
  567   1HB   TYR  70           HB2      TYR  70  11.731  -5.599   0.655
  568   2HB   TYR  70           HB1      TYR  70  11.179  -7.205   1.128
  569    HD1  TYR  70           HD2      TYR  70  11.009  -3.672   2.451
  570    HD2  TYR  70           HD1      TYR  70   8.941  -7.380   1.740
  571    HE1  TYR  70           HE2      TYR  70   8.925  -2.684   3.377
  572    HE2  TYR  70           HE1      TYR  70   6.851  -6.394   2.668
  573    HH   TYR  70           HH       TYR  70   6.064  -4.638   3.963
  574    H    GLN  71           HN       GLN  71  13.532  -8.159   3.884
  575    HA   GLN  71           HA       GLN  71  14.912  -9.383   1.613
  576   1HB   GLN  71           HB2      GLN  71  16.421  -7.500   2.208
  577   2HB   GLN  71           HB1      GLN  71  16.536  -8.129   3.849
  578   1HG   GLN  71           HG2      GLN  71  17.711 -10.059   3.162
  579   2HG   GLN  71           HG1      GLN  71  17.212  -9.874   1.481
  580   1HE2  GLN  71          HE22      GLN  71  19.892  -7.732   0.646
  581   2HE2  GLN  71          HE21      GLN  71  18.492  -8.534   0.118
  582    H    ALA  72           HN       ALA  72  16.412  -9.674   4.719
  583    HA   ALA  72           HA       ALA  72  16.507 -11.485   6.200
  584   1HB   ALA  72           HB1      ALA  72  14.200 -10.562   6.669
  585   2HB   ALA  72           HB3      ALA  72  13.561 -11.769   5.555
  586   3HB   ALA  72           HB2      ALA  72  14.385 -12.278   7.027
  587    H    GLY  73           HN       GLY  73  16.609 -11.926   3.127
  588   1HA   GLY  73           HA2      GLY  73  17.391 -14.532   2.950
  589   2HA   GLY  73           HA1      GLY  73  15.635 -14.689   2.869
  590    H    GLU  74           HN       GLU  74  14.556 -14.001   0.999
  591    HA   GLU  74           HA       GLU  74  16.139 -12.718  -1.165
  592   1HB   GLU  74           HB2      GLU  74  15.199 -14.485  -2.765
  593   2HB   GLU  74           HB1      GLU  74  16.503 -15.016  -1.705
  594   1HG   GLU  74           HG2      GLU  74  14.896 -16.008  -0.158
  595   2HG   GLU  74           HG1      GLU  74  13.553 -15.401  -1.126
   
  No H/Q in entry =         595
  Start of MODEL           5
 Raw file had  612 H/Q atoms
  Start of MODEL    5
    1   1H    CYS   1           HT1      CYS   1  17.290  12.303   4.123
    2   2H    CYS   1           HT3      CYS   1  17.377  13.190   5.564
    3   3H    CYS   1           HT2      CYS   1  16.174  13.547   4.419
    4    HA   CYS   1           HA       CYS   1  17.492  15.035   3.487
    5   1HB   CYS   1           HB2      CYS   1  18.530  15.282   5.697
    6   2HB   CYS   1           HB1      CYS   1  19.618  13.936   5.356
    7    HG   CYS   1           HG       CYS   1  20.963  15.381   3.782
    8    H    SER   2           HN       SER   2  17.134  12.960   1.887
    9    HA   SER   2           HA       SER   2  19.633  12.812   0.377
   10   1HB   SER   2           HB2      SER   2  19.901  10.960   2.022
   11   2HB   SER   2           HB1      SER   2  18.386  10.264   1.455
   12    HG   SER   2           HG       SER   2  20.609   9.633   0.509
   13    H    ASN   3           HN       ASN   3  16.599  10.919   0.642
   14    HA   ASN   3           HA       ASN   3  16.030  11.591  -2.231
   15   1HB   ASN   3           HB2      ASN   3  16.489   9.122  -1.479
   16   2HB   ASN   3           HB1      ASN   3  14.863   9.198  -0.789
   17   1HD2  ASN   3          HD22      ASN   3  15.031   9.862  -4.848
   18   2HD2  ASN   3          HD21      ASN   3  16.150  10.643  -3.836
   19    H    GLU   4           HN       GLU   4  15.013  12.064   0.970
   20    HA   GLU   4           HA       GLU   4  13.000  12.851   1.883
   21   1HB   GLU   4           HB2      GLU   4  13.625  14.486  -0.186
   22   2HB   GLU   4           HB1      GLU   4  12.107  13.849  -0.807
   23   1HG   GLU   4           HG2      GLU   4  10.900  14.644   1.133
   24   2HG   GLU   4           HG1      GLU   4  12.402  15.070   1.958
   25    H    LYS   5           HN       LYS   5  10.431  13.004   0.321
   26    HA   LYS   5           HA       LYS   5   8.621  11.491   0.040
   27   1HB   LYS   5           HB2      LYS   5  10.857  10.367  -1.658
   28   2HB   LYS   5           HB1      LYS   5   9.276   9.597  -1.616
   29   1HG   LYS   5           HG2      LYS   5   9.278  11.118  -3.482
   30   2HG   LYS   5           HG1      LYS   5   8.264  11.833  -2.234
   31   1HD   LYS   5           HD2      LYS   5   9.952  13.389  -1.602
   32   2HD   LYS   5           HD1      LYS   5  11.197  12.513  -2.495
   33   1HE   LYS   5           HE2      LYS   5  10.377  14.591  -3.660
   34   2HE   LYS   5           HE1      LYS   5  10.205  13.117  -4.610
   35   1HZ   LYS   5           HZ2      LYS   5   8.053  14.323  -2.958
   36   2HZ   LYS   5           HZ1      LYS   5   8.205  14.521  -4.640
   37   3HZ   LYS   5           HZ3      LYS   5   7.906  12.982  -3.992
   38    H    ALA   6           HN       ALA   6  10.914   8.857  -0.292
   39    HA   ALA   6           HA       ALA   6  10.947   8.002   2.448
   40   1HB   ALA   6           HB2      ALA   6   8.826   6.830   0.650
   41   2HB   ALA   6           HB1      ALA   6   9.401   6.016   2.106
   42   3HB   ALA   6           HB3      ALA   6   8.604   7.583   2.229
   43    H    ARG   7           HN       ARG   7  11.043   5.248   2.143
   44    HA   ARG   7           HA       ARG   7  13.468   4.930   0.452
   45   1HB   ARG   7           HB2      ARG   7  12.184   2.890   2.293
   46   2HB   ARG   7           HB1      ARG   7  13.826   2.869   1.656
   47   1HG   ARG   7           HG2      ARG   7  12.696   4.909   3.587
   48   2HG   ARG   7           HG1      ARG   7  13.788   3.589   4.002
   49   1HD   ARG   7           HD2      ARG   7  15.349   5.279   3.734
   50   2HD   ARG   7           HD1      ARG   7  15.268   4.733   2.057
   51    HE   ARG   7           HE       ARG   7  13.293   6.647   2.174
   52   1HH1  ARG   7          HH21      ARG   7  16.612   6.459   3.082
   53   2HH1  ARG   7          HH22      ARG   7  16.922   8.142   2.808
   54   1HH2  ARG   7          HH11      ARG   7  13.685   8.846   1.791
   55   2HH2  ARG   7          HH12      ARG   7  15.270   9.485   2.073
   56    H    ASP   8           HN       ASP   8  10.299   4.811  -0.194
   57    HA   ASP   8           HA       ASP   8  10.648   2.772  -2.302
   58   1HB   ASP   8           HB2      ASP   8   8.428   2.448  -0.264
   59   2HB   ASP   8           HB1      ASP   8   8.869   1.336  -1.563
   60    H    TRP   9           HN       TRP   9   7.624   2.532  -2.256
   61    HA   TRP   9           HA       TRP   9   7.004   4.595  -4.158
   62   1HB   TRP   9           HB2      TRP   9   5.233   2.718  -2.560
   63   2HB   TRP   9           HB1      TRP   9   4.661   3.741  -3.862
   64    HD1  TRP   9           HD1      TRP   9   7.830   1.474  -3.710
   65    HE1  TRP   9           HE1      TRP   9   7.773  -0.083  -5.752
   66    HE3  TRP   9           HE3      TRP   9   3.322   2.818  -5.713
   67    HZ2  TRP   9           HZ2      TRP   9   6.037  -0.718  -7.935
   68    HZ3  TRP   9           HZ3      TRP   9   2.478   1.702  -7.770
   69    HH2  TRP   9           HH2      TRP   9   3.831  -0.064  -8.880
   70    H    HIS  10           HN       HIS  10   6.871   6.731  -3.471
   71    HA   HIS  10           HA       HIS  10   6.345   7.640  -0.854
   72   1HB   HIS  10           HB2      HIS  10   7.131   9.092  -2.747
   73   2HB   HIS  10           HB1      HIS  10   5.490   9.044  -3.406
   74    HD1  HIS  10           HD1      HIS  10   6.826   9.589   0.134
   75    HD2  HIS  10           HD2      HIS  10   4.243  11.379  -2.606
   76    HE1  HIS  10           HE1      HIS  10   5.817  11.596   1.306
   77    H    ARG  11           HN       ARG  11   4.295   8.710  -0.071
   78    HA   ARG  11           HA       ARG  11   2.103   6.938  -0.048
   79   1HB   ARG  11           HB2      ARG  11   1.984   9.951   0.278
   80   2HB   ARG  11           HB1      ARG  11   0.806   8.784   0.886
   81   1HG   ARG  11           HG2      ARG  11   2.741   7.708   2.164
   82   2HG   ARG  11           HG1      ARG  11   3.680   9.143   1.753
   83   1HD   ARG  11           HD2      ARG  11   1.669  10.467   2.743
   84   2HD   ARG  11           HD1      ARG  11   1.225   8.931   3.489
   85    HE   ARG  11           HE       ARG  11   3.936   9.284   4.083
   86   1HH1  ARG  11          HH21      ARG  11   0.964  10.965   4.533
   87   2HH1  ARG  11          HH22      ARG  11   1.491  11.777   5.970
   88   1HH2  ARG  11          HH11      ARG  11   4.640  10.332   5.949
   89   2HH2  ARG  11          HH12      ARG  11   3.567  11.414   6.775
   90    H    ALA  12           HN       ALA  12   2.828   9.572  -2.275
   91    HA   ALA  12           HA       ALA  12   0.258   9.414  -3.646
   92   1HB   ALA  12           HB1      ALA  12   2.893  10.707  -4.399
   93   2HB   ALA  12           HB3      ALA  12   1.408  10.876  -5.332
   94   3HB   ALA  12           HB2      ALA  12   1.491  11.507  -3.688
   95    H    ASP  13           HN       ASP  13   3.378   7.852  -3.950
   96    HA   ASP  13           HA       ASP  13   2.977   6.889  -6.644
   97   1HB   ASP  13           HB2      ASP  13   4.734   6.009  -4.365
   98   2HB   ASP  13           HB1      ASP  13   4.718   5.152  -5.909
   99    H    VAL  14           HN       VAL  14   1.881   5.945  -3.509
  100    HA   VAL  14           HA       VAL  14   1.079   3.249  -4.261
  101    HB   VAL  14           HB       VAL  14   0.370   5.068  -1.947
  102   1HG1  VAL  14          HG12      VAL  14  -0.530   2.261  -2.586
  103   2HG1  VAL  14          HG11      VAL  14  -0.501   2.877  -0.932
  104   3HG1  VAL  14          HG13      VAL  14  -1.519   3.654  -2.145
  105   1HG2  VAL  14          HG23      VAL  14   2.695   4.207  -2.038
  106   2HG2  VAL  14          HG22      VAL  14   1.805   3.529  -0.673
  107   3HG2  VAL  14          HG21      VAL  14   2.069   2.562  -2.125
  108    H    ILE  15           HN       ILE  15  -0.760   6.239  -3.528
  109    HA   ILE  15           HA       ILE  15  -3.197   5.125  -4.661
  110    HB   ILE  15           HB       ILE  15  -2.619   8.018  -3.968
  111   1HG1  ILE  15          HG12      ILE  15  -3.848   5.858  -2.220
  112   2HG1  ILE  15          HG11      ILE  15  -2.158   6.339  -2.104
  113   1HG2  ILE  15          HG22      ILE  15  -4.655   7.560  -5.332
  114   2HG2  ILE  15          HG21      ILE  15  -5.197   6.417  -4.102
  115   3HG2  ILE  15          HG23      ILE  15  -5.060   8.132  -3.718
  116   1HD1  ILE  15          HD13      ILE  15  -3.093   8.752  -1.824
  117   2HD1  ILE  15          HD12      ILE  15  -4.617   7.946  -1.446
  118   3HD1  ILE  15          HD11      ILE  15  -3.192   7.645  -0.456
  119    H    ALA  16           HN       ALA  16  -0.863   7.634  -5.793
  120    HA   ALA  16           HA       ALA  16  -2.279   8.318  -8.147
  121   1HB   ALA  16           HB3      ALA  16  -0.123   9.386  -7.306
  122   2HB   ALA  16           HB2      ALA  16   0.728   8.021  -8.033
  123   3HB   ALA  16           HB1      ALA  16  -0.210   9.116  -9.045
  124    H    GLY  17           HN       GLY  17   0.234   5.813  -7.735
  125   1HA   GLY  17           HA2      GLY  17   0.013   4.715 -10.350
  126   2HA   GLY  17           HA1      GLY  17   0.637   3.856  -8.943
  127    H    LEU  18           HN       LEU  18  -1.552   3.659  -7.296
  128    HA   LEU  18           HA       LEU  18  -3.051   1.545  -8.514
  129   1HB   LEU  18           HB2      LEU  18  -3.323   3.119  -5.960
  130   2HB   LEU  18           HB1      LEU  18  -4.561   1.960  -6.402
  131    HG   LEU  18           HG       LEU  18  -1.649   1.151  -6.409
  132   1HD1  LEU  18          HD13      LEU  18  -2.453   2.131  -4.115
  133   2HD1  LEU  18          HD12      LEU  18  -3.417   0.663  -4.011
  134   3HD1  LEU  18          HD11      LEU  18  -1.661   0.560  -4.138
  135   1HD2  LEU  18          HD21      LEU  18  -4.284  -0.321  -6.113
  136   2HD2  LEU  18          HD23      LEU  18  -3.140  -0.446  -7.447
  137   3HD2  LEU  18          HD22      LEU  18  -2.719  -1.082  -5.862
  138    H    LYS  19           HN       LYS  19  -4.081   4.833  -7.581
  139    HA   LYS  19           HA       LYS  19  -6.681   4.721  -8.734
  140   1HB   LYS  19           HB2      LYS  19  -5.931   6.491  -7.159
  141   2HB   LYS  19           HB1      LYS  19  -4.861   7.128  -8.406
  142   1HG   LYS  19           HG2      LYS  19  -6.724   7.691  -9.828
  143   2HG   LYS  19           HG1      LYS  19  -7.857   6.849  -8.774
  144   1HD   LYS  19           HD2      LYS  19  -6.192   9.054  -7.579
  145   2HD   LYS  19           HD1      LYS  19  -7.535   9.506  -8.625
  146   1HE   LYS  19           HE2      LYS  19  -9.134   8.490  -7.209
  147   2HE   LYS  19           HE1      LYS  19  -7.911   7.546  -6.360
  148   1HZ   LYS  19           HZ1      LYS  19  -7.005   9.611  -5.470
  149   2HZ   LYS  19           HZ3      LYS  19  -8.212  10.500  -6.262
  150   3HZ   LYS  19           HZ2      LYS  19  -8.631   9.411  -5.025
  151    H    LYS  20           HN       LYS  20  -3.619   4.804 -10.245
  152    HA   LYS  20           HA       LYS  20  -4.213   6.271 -12.591
  153   1HB   LYS  20           HB2      LYS  20  -1.929   5.355 -11.892
  154   2HB   LYS  20           HB1      LYS  20  -2.474   3.797 -12.511
  155   1HG   LYS  20           HG2      LYS  20  -1.397   4.660 -14.394
  156   2HG   LYS  20           HG1      LYS  20  -3.053   5.185 -14.689
  157   1HD   LYS  20           HD2      LYS  20  -2.556   7.399 -13.788
  158   2HD   LYS  20           HD1      LYS  20  -0.929   6.887 -13.342
  159   1HE   LYS  20           HE2      LYS  20  -1.902   6.721 -16.198
  160   2HE   LYS  20           HE1      LYS  20  -1.187   8.196 -15.550
  161   1HZ   LYS  20           HZ1      LYS  20   0.106   5.523 -15.516
  162   2HZ   LYS  20           HZ3      LYS  20   0.452   6.753 -16.629
  163   3HZ   LYS  20           HZ2      LYS  20   0.795   6.979 -14.980
  164    H    ARG  21           HN       ARG  21  -5.095   3.071 -11.600
  165    HA   ARG  21           HA       ARG  21  -6.336   2.529 -14.258
  166   1HB   ARG  21           HB2      ARG  21  -5.747   0.859 -11.799
  167   2HB   ARG  21           HB1      ARG  21  -6.880   0.302 -13.031
  168   1HG   ARG  21           HG2      ARG  21  -5.119   0.534 -14.750
  169   2HG   ARG  21           HG1      ARG  21  -3.987   1.077 -13.510
  170   1HD   ARG  21           HD2      ARG  21  -3.632  -1.295 -13.912
  171   2HD   ARG  21           HD1      ARG  21  -4.338  -1.088 -12.307
  172    HE   ARG  21           HE       ARG  21  -6.533  -1.468 -13.959
  173   1HH1  ARG  21          HH21      ARG  21  -3.573  -3.098 -13.289
  174   2HH1  ARG  21          HH22      ARG  21  -4.209  -4.673 -13.626
  175   1HH2  ARG  21          HH11      ARG  21  -7.378  -3.512 -14.418
  176   2HH2  ARG  21          HH12      ARG  21  -6.362  -4.907 -14.278
  177    H    LYS  22           HN       LYS  22  -7.626   1.318 -11.265
  178    HA   LYS  22           HA       LYS  22  -9.599   3.461 -11.033
  179   1HB   LYS  22           HB2      LYS  22 -11.547   1.857 -11.267
  180   2HB   LYS  22           HB1      LYS  22 -10.706   2.204 -12.775
  181   1HG   LYS  22           HG2      LYS  22  -9.630   0.101 -12.808
  182   2HG   LYS  22           HG1      LYS  22  -9.921  -0.175 -11.091
  183   1HD   LYS  22           HD2      LYS  22 -11.423  -1.545 -12.516
  184   2HD   LYS  22           HD1      LYS  22 -12.324  -0.414 -11.506
  185   1HE   LYS  22           HE2      LYS  22 -13.052  -0.536 -13.947
  186   2HE   LYS  22           HE1      LYS  22 -12.687   1.078 -13.339
  187   1HZ   LYS  22           HZ1      LYS  22 -10.426   0.809 -14.257
  188   2HZ   LYS  22           HZ3      LYS  22 -10.905  -0.660 -14.956
  189   3HZ   LYS  22           HZ2      LYS  22 -11.635   0.793 -15.450
  190    H    LEU  23           HN       LEU  23  -7.694   2.622  -9.202
  191    HA   LEU  23           HA       LEU  23  -9.333   1.170  -7.130
  192   1HB   LEU  23           HB2      LEU  23  -6.341   1.170  -7.536
  193   2HB   LEU  23           HB1      LEU  23  -7.173   0.362  -6.218
  194    HG   LEU  23           HG       LEU  23  -7.380  -0.265  -9.179
  195   1HD1  LEU  23          HD12      LEU  23  -6.309  -1.804  -6.793
  196   2HD1  LEU  23          HD11      LEU  23  -6.393  -2.420  -8.446
  197   3HD1  LEU  23          HD13      LEU  23  -5.340  -1.055  -8.064
  198   1HD2  LEU  23          HD22      LEU  23  -9.006  -1.179  -6.807
  199   2HD2  LEU  23          HD21      LEU  23  -9.551  -0.763  -8.428
  200   3HD2  LEU  23          HD23      LEU  23  -8.720  -2.289  -8.142
  201    H    SER  24           HN       SER  24  -9.235   1.987  -5.013
  202    HA   SER  24           HA       SER  24  -7.513   4.321  -4.444
  203   1HB   SER  24           HB2      SER  24  -9.588   5.566  -3.578
  204   2HB   SER  24           HB1      SER  24  -9.372   5.515  -5.326
  205    HG   SER  24           HG       SER  24 -10.700   3.461  -5.057
  206    H    LEU  25           HN       LEU  25  -6.782   4.096  -2.357
  207    HA   LEU  25           HA       LEU  25  -7.300   1.947  -0.681
  208   1HB   LEU  25           HB2      LEU  25  -6.836   4.786   0.278
  209   2HB   LEU  25           HB1      LEU  25  -6.526   3.316   1.199
  210    HG   LEU  25           HG       LEU  25  -5.179   3.961  -1.443
  211   1HD1  LEU  25          HD12      LEU  25  -4.652   5.580   0.448
  212   2HD1  LEU  25          HD11      LEU  25  -3.991   4.206   1.331
  213   3HD1  LEU  25          HD13      LEU  25  -3.264   4.703  -0.195
  214   1HD2  LEU  25          HD22      LEU  25  -4.851   1.813   0.661
  215   2HD2  LEU  25          HD21      LEU  25  -5.038   1.624  -1.082
  216   3HD2  LEU  25          HD23      LEU  25  -3.524   2.235  -0.419
  217    H    SER  26           HN       SER  26  -9.361   4.649  -1.311
  218    HA   SER  26           HA       SER  26 -11.057   4.289   1.032
  219   1HB   SER  26           HB2      SER  26 -11.470   5.794  -1.565
  220   2HB   SER  26           HB1      SER  26 -12.600   5.833  -0.215
  221    HG   SER  26           HG       SER  26 -10.626   7.417  -0.523
  222    H    ALA  27           HN       ALA  27 -11.219   3.390  -2.409
  223    HA   ALA  27           HA       ALA  27 -13.791   2.092  -2.175
  224   1HB   ALA  27           HB2      ALA  27 -11.566   1.928  -4.219
  225   2HB   ALA  27           HB1      ALA  27 -13.057   0.999  -4.367
  226   3HB   ALA  27           HB3      ALA  27 -13.113   2.761  -4.367
  227    H    LEU  28           HN       LEU  28 -10.421   0.928  -2.109
  228    HA   LEU  28           HA       LEU  28 -10.998  -1.848  -1.894
  229   1HB   LEU  28           HB2      LEU  28  -8.714  -0.084  -1.019
  230   2HB   LEU  28           HB1      LEU  28  -8.737  -1.777  -0.523
  231    HG   LEU  28           HG       LEU  28  -8.839  -2.505  -2.826
  232   1HD1  LEU  28          HD13      LEU  28  -9.197   0.437  -3.366
  233   2HD1  LEU  28          HD12      LEU  28  -8.543  -0.624  -4.606
  234   3HD1  LEU  28          HD11      LEU  28 -10.154  -0.919  -3.959
  235   1HD2  LEU  28          HD21      LEU  28  -6.622  -1.863  -1.778
  236   2HD2  LEU  28          HD23      LEU  28  -6.633  -1.817  -3.541
  237   3HD2  LEU  28          HD22      LEU  28  -6.748  -0.318  -2.618
  238    H    SER  29           HN       SER  29 -11.191   0.756   0.404
  239    HA   SER  29           HA       SER  29 -11.244  -0.853   2.793
  240   1HB   SER  29           HB2      SER  29 -11.814   1.120   3.908
  241   2HB   SER  29           HB1      SER  29 -10.943   1.720   2.501
  242    HG   SER  29           HG       SER  29 -12.987   2.774   2.906
  243    H    ARG  30           HN       ARG  30 -13.953   0.742   1.026
  244    HA   ARG  30           HA       ARG  30 -15.958  -0.643   2.562
  245   1HB   ARG  30           HB2      ARG  30 -16.513   0.426  -0.196
  246   2HB   ARG  30           HB1      ARG  30 -17.535   0.475   1.243
  247   1HG   ARG  30           HG2      ARG  30 -15.787   2.018   2.273
  248   2HG   ARG  30           HG1      ARG  30 -15.066   2.120   0.665
  249   1HD   ARG  30           HD2      ARG  30 -17.931   2.845   1.342
  250   2HD   ARG  30           HD1      ARG  30 -16.629   3.999   1.071
  251    HE   ARG  30           HE       ARG  30 -16.698   2.346  -1.206
  252   1HH1  ARG  30          HH21      ARG  30 -18.746   4.540   0.498
  253   2HH1  ARG  30          HH22      ARG  30 -19.706   4.926  -0.892
  254   1HH2  ARG  30          HH11      ARG  30 -17.937   2.841  -3.023
  255   2HH2  ARG  30          HH12      ARG  30 -19.249   3.963  -2.883
  256    H    GLN  31           HN       GLN  31 -14.162  -1.493  -0.308
  257    HA   GLN  31           HA       GLN  31 -15.996  -3.442  -1.329
  258   1HB   GLN  31           HB2      GLN  31 -13.036  -2.973  -1.622
  259   2HB   GLN  31           HB1      GLN  31 -13.782  -4.401  -2.332
  260   1HG   GLN  31           HG2      GLN  31 -15.392  -2.944  -3.538
  261   2HG   GLN  31           HG1      GLN  31 -14.587  -1.525  -2.868
  262   1HE2  GLN  31          HE22      GLN  31 -13.033  -3.325  -6.123
  263   2HE2  GLN  31          HE21      GLN  31 -14.537  -3.767  -5.469
  264    H    PHE  32           HN       PHE  32 -13.458  -3.641   1.144
  265    HA   PHE  32           HA       PHE  32 -14.115  -6.543   1.536
  266   1HB   PHE  32           HB2      PHE  32 -11.741  -4.829   2.304
  267   2HB   PHE  32           HB1      PHE  32 -12.043  -6.380   3.092
  268    HD1  PHE  32           HD1      PHE  32 -11.270  -4.722  -0.135
  269    HD2  PHE  32           HD2      PHE  32 -11.806  -8.480   1.909
  270    HE1  PHE  32           HE1      PHE  32 -10.317  -5.927  -2.094
  271    HE2  PHE  32           HE2      PHE  32 -10.845  -9.680  -0.046
  272    HZ   PHE  32           HZ       PHE  32 -10.103  -8.405  -2.049
  273    H    GLY  33           HN       GLY  33 -14.255  -3.382   3.069
  274   1HA   GLY  33           HA2      GLY  33 -16.178  -3.180   4.694
  275   2HA   GLY  33           HA1      GLY  33 -15.575  -4.652   5.448
  276    H    TYR  34           HN       TYR  34 -12.810  -4.089   5.524
  277    HA   TYR  34           HA       TYR  34 -12.519  -2.710   7.910
  278   1HB   TYR  34           HB2      TYR  34 -10.462  -2.568   5.698
  279   2HB   TYR  34           HB1      TYR  34 -10.176  -2.443   7.431
  280    HD1  TYR  34           HD2      TYR  34 -11.600  -4.617   8.681
  281    HD2  TYR  34           HD1      TYR  34  -9.592  -4.562   4.864
  282    HE1  TYR  34           HE2      TYR  34 -11.315  -7.075   8.796
  283    HE2  TYR  34           HE1      TYR  34  -9.304  -7.024   4.992
  284    HH   TYR  34           HH       TYR  34  -9.289  -8.803   6.563
  285    H    ALA  35           HN       ALA  35 -12.830  -0.664   8.526
  286    HA   ALA  35           HA       ALA  35 -13.821   1.393   6.977
  287   1HB   ALA  35           HB2      ALA  35 -12.791   1.111   9.629
  288   2HB   ALA  35           HB1      ALA  35 -12.097   2.590   8.970
  289   3HB   ALA  35           HB3      ALA  35 -13.849   2.383   9.028
  290    HA   PRO  36           HA       PRO  36 -10.620   3.047   4.447
  291   1HB   PRO  36           HB2      PRO  36 -10.789   5.822   5.081
  292   2HB   PRO  36           HB1      PRO  36 -11.683   4.974   3.809
  293   1HG   PRO  36           HG2      PRO  36 -12.677   5.971   6.394
  294   2HG   PRO  36           HG1      PRO  36 -13.601   5.426   4.986
  295   1HD   PRO  36           HD2      PRO  36 -13.246   4.001   7.433
  296   2HD   PRO  36           HD1      PRO  36 -13.960   3.374   5.932
  297    H    THR  37           HN       THR  37 -10.623   4.176   7.801
  298    HA   THR  37           HA       THR  37  -7.957   5.194   7.865
  299    HB   THR  37           HB       THR  37  -8.137   4.908  10.314
  300    HG1  THR  37           HG1      THR  37  -9.820   2.985   9.541
  301   1HG2  THR  37          HG22      THR  37 -10.646   5.885   8.927
  302   2HG2  THR  37          HG21      THR  37 -10.253   6.210  10.614
  303   3HG2  THR  37          HG23      THR  37  -9.223   6.845   9.329
  304    H    THR  38           HN       THR  38  -9.256   1.937   8.435
  305    HA   THR  38           HA       THR  38  -6.886   0.697   9.345
  306    HB   THR  38           HB       THR  38  -9.184  -0.356   7.674
  307    HG1  THR  38           HG1      THR  38  -9.317  -1.508   9.852
  308   1HG2  THR  38          HG23      THR  38  -6.672  -1.719   8.588
  309   2HG2  THR  38          HG22      THR  38  -8.184  -2.622   8.618
  310   3HG2  THR  38          HG21      THR  38  -7.591  -1.950   7.099
  311    H    LEU  39           HN       LEU  39  -8.116   0.699   5.984
  312    HA   LEU  39           HA       LEU  39  -5.872  -0.404   4.762
  313   1HB   LEU  39           HB2      LEU  39  -8.259   0.805   3.917
  314   2HB   LEU  39           HB1      LEU  39  -7.022   1.799   3.166
  315    HG   LEU  39           HG       LEU  39  -7.482   0.125   1.574
  316   1HD1  LEU  39          HD11      LEU  39  -4.946   0.308   2.541
  317   2HD1  LEU  39          HD13      LEU  39  -5.233  -1.415   2.799
  318   3HD1  LEU  39          HD12      LEU  39  -5.383  -0.727   1.185
  319   1HD2  LEU  39          HD23      LEU  39  -7.517  -1.792   3.918
  320   2HD2  LEU  39          HD22      LEU  39  -8.840  -1.386   2.828
  321   3HD2  LEU  39          HD21      LEU  39  -7.477  -2.342   2.246
  322    H    ALA  40           HN       ALA  40  -6.480   3.084   5.303
  323    HA   ALA  40           HA       ALA  40  -4.060   4.064   4.237
  324   1HB   ALA  40           HB3      ALA  40  -5.817   5.057   6.488
  325   2HB   ALA  40           HB2      ALA  40  -4.379   5.940   5.974
  326   3HB   ALA  40           HB1      ALA  40  -5.702   5.675   4.839
  327    H    ASN  41           HN       ASN  41  -4.755   3.190   7.634
  328    HA   ASN  41           HA       ASN  41  -2.193   3.670   8.692
  329   1HB   ASN  41           HB2      ASN  41  -4.170   1.503   9.465
  330   2HB   ASN  41           HB1      ASN  41  -2.816   2.054  10.453
  331   1HD2  ASN  41          HD22      ASN  41  -5.147   5.284   9.857
  332   2HD2  ASN  41          HD21      ASN  41  -4.205   4.604   8.619
  333    H    ALA  42           HN       ALA  42  -3.119   1.263   6.423
  334    HA   ALA  42           HA       ALA  42  -1.146  -0.727   7.169
  335   1HB   ALA  42           HB2      ALA  42  -3.207  -1.081   5.676
  336   2HB   ALA  42           HB1      ALA  42  -2.271  -0.315   4.391
  337   3HB   ALA  42           HB3      ALA  42  -1.703  -1.817   5.123
  338    H    LEU  43           HN       LEU  43  -0.788   2.370   6.027
  339    HA   LEU  43           HA       LEU  43   1.462   1.835   4.207
  340   1HB   LEU  43           HB2      LEU  43   0.410   4.457   5.303
  341   2HB   LEU  43           HB1      LEU  43   1.576   4.279   3.990
  342    HG   LEU  43           HG       LEU  43  -1.173   3.016   3.878
  343   1HD1  LEU  43          HD13      LEU  43  -1.416   5.459   4.176
  344   2HD1  LEU  43          HD12      LEU  43  -0.334   5.724   2.807
  345   3HD1  LEU  43          HD11      LEU  43  -1.901   4.949   2.559
  346   1HD2  LEU  43          HD22      LEU  43   0.982   3.669   1.848
  347   2HD2  LEU  43          HD21      LEU  43   0.309   2.088   2.236
  348   3HD2  LEU  43          HD23      LEU  43  -0.668   3.274   1.378
  349    H    GLU  44           HN       GLU  44   1.043   2.613   7.609
  350    HA   GLU  44           HA       GLU  44   4.033   2.694   7.859
  351   1HB   GLU  44           HB2      GLU  44   3.655   4.371   9.735
  352   2HB   GLU  44           HB1      GLU  44   3.394   4.972   8.099
  353   1HG   GLU  44           HG2      GLU  44   1.002   4.744   8.317
  354   2HG   GLU  44           HG1      GLU  44   1.174   3.901   9.858
  355    H    ARG  45           HN       ARG  45   0.940   1.869   9.381
  356    HA   ARG  45           HA       ARG  45   2.180   0.909  11.822
  357   1HB   ARG  45           HB2      ARG  45  -0.550   0.352  10.628
  358   2HB   ARG  45           HB1      ARG  45  -0.043  -0.149  12.243
  359   1HG   ARG  45           HG2      ARG  45   0.541   2.386  12.579
  360   2HG   ARG  45           HG1      ARG  45  -0.517   2.639  11.191
  361   1HD   ARG  45           HD2      ARG  45  -1.982   2.824  13.029
  362   2HD   ARG  45           HD1      ARG  45  -2.218   1.161  12.498
  363    HE   ARG  45           HE       ARG  45  -0.172   1.020  14.385
  364   1HH1  ARG  45          HH21      ARG  45  -3.399   2.224  14.216
  365   2HH1  ARG  45          HH22      ARG  45  -3.733   1.937  15.891
  366   1HH2  ARG  45          HH11      ARG  45  -0.586   0.642  16.566
  367   2HH2  ARG  45          HH12      ARG  45  -2.140   1.036  17.222
  368    H    HIS  46           HN       HIS  46   2.975  -1.092  12.282
  369    HA   HIS  46           HA       HIS  46   3.712  -2.900  10.222
  370   1HB   HIS  46           HB2      HIS  46   3.427  -3.246  13.218
  371   2HB   HIS  46           HB1      HIS  46   4.020  -4.540  12.172
  372    HD1  HIS  46           HD1      HIS  46   6.439  -4.418  13.110
  373    HD2  HIS  46           HD2      HIS  46   5.107  -0.833  11.452
  374    HE1  HIS  46           HE1      HIS  46   8.481  -2.942  12.862
  375    H    TRP  47           HN       TRP  47   2.040  -3.590   8.927
  376    HA   TRP  47           HA       TRP  47   0.307  -5.670   9.983
  377   1HB   TRP  47           HB2      TRP  47  -0.958  -3.615  10.614
  378   2HB   TRP  47           HB1      TRP  47  -0.955  -3.116   8.924
  379    HD1  TRP  47           HD1      TRP  47  -1.701  -6.618  10.431
  380    HE1  TRP  47           HE1      TRP  47  -4.006  -7.370   9.589
  381    HE3  TRP  47           HE3      TRP  47  -3.102  -2.432   7.833
  382    HZ2  TRP  47           HZ2      TRP  47  -6.175  -6.349   8.029
  383    HZ3  TRP  47           HZ3      TRP  47  -5.307  -2.350   6.685
  384    HH2  TRP  47           HH2      TRP  47  -6.843  -4.303   6.782
  385    HA   PRO  48           HA       PRO  48   1.893  -5.765   5.579
  386   1HB   PRO  48           HB2      PRO  48   2.310  -8.623   6.067
  387   2HB   PRO  48           HB1      PRO  48   3.501  -7.386   5.636
  388   1HG   PRO  48           HG2      PRO  48   3.198  -8.617   8.187
  389   2HG   PRO  48           HG1      PRO  48   4.207  -7.207   7.812
  390   1HD   PRO  48           HD2      PRO  48   1.697  -7.294   9.301
  391   2HD   PRO  48           HD1      PRO  48   2.806  -5.914   9.091
  392    H    LYS  49           HN       LYS  49  -0.629  -7.347   7.349
  393    HA   LYS  49           HA       LYS  49  -1.685  -8.889   5.133
  394   1HB   LYS  49           HB2      LYS  49  -2.208  -9.233   7.609
  395   2HB   LYS  49           HB1      LYS  49  -3.266  -7.837   7.474
  396   1HG   LYS  49           HG2      LYS  49  -4.875  -9.351   6.882
  397   2HG   LYS  49           HG1      LYS  49  -4.107  -9.317   5.304
  398   1HD   LYS  49           HD2      LYS  49  -3.281 -11.247   7.496
  399   2HD   LYS  49           HD1      LYS  49  -4.515 -11.627   6.305
  400   1HE   LYS  49           HE2      LYS  49  -1.584 -11.066   5.806
  401   2HE   LYS  49           HE1      LYS  49  -2.471 -12.548   5.475
  402   1HZ   LYS  49           HZ1      LYS  49  -3.907 -10.960   4.015
  403   2HZ   LYS  49           HZ3      LYS  49  -2.506 -10.007   4.015
  404   3HZ   LYS  49           HZ2      LYS  49  -2.449 -11.595   3.419
  405    H    GLY  50           HN       GLY  50  -2.071  -5.575   6.241
  406   1HA   GLY  50           HA2      GLY  50  -4.344  -4.992   4.510
  407   2HA   GLY  50           HA1      GLY  50  -3.332  -3.796   5.330
  408    H    GLU  51           HN       GLU  51  -0.865  -5.042   4.226
  409    HA   GLU  51           HA       GLU  51  -0.702  -3.481   1.798
  410   1HB   GLU  51           HB2      GLU  51   1.204  -5.591   2.871
  411   2HB   GLU  51           HB1      GLU  51   1.584  -4.358   1.670
  412   1HG   GLU  51           HG2      GLU  51   0.925  -2.619   3.398
  413   2HG   GLU  51           HG1      GLU  51   0.867  -3.925   4.577
  414    H    GLN  52           HN       GLN  52  -1.285  -6.842   2.610
  415    HA   GLN  52           HA       GLN  52  -0.903  -7.999   0.018
  416   1HB   GLN  52           HB2      GLN  52  -2.609  -8.757   2.397
  417   2HB   GLN  52           HB1      GLN  52  -2.617  -9.715   0.920
  418   1HG   GLN  52           HG2      GLN  52  -0.010  -8.989   2.258
  419   2HG   GLN  52           HG1      GLN  52  -0.951 -10.367   2.823
  420   1HE2  GLN  52          HE22      GLN  52   1.089 -12.032   0.360
  421   2HE2  GLN  52          HE21      GLN  52   1.059 -11.596   2.000
  422    H    ILE  53           HN       ILE  53  -3.786  -6.636   1.617
  423    HA   ILE  53           HA       ILE  53  -5.700  -7.128  -0.385
  424    HB   ILE  53           HB       ILE  53  -5.359  -4.743   1.453
  425   1HG1  ILE  53          HG12      ILE  53  -7.273  -7.086   1.652
  426   2HG1  ILE  53          HG11      ILE  53  -5.673  -7.112   2.393
  427   1HG2  ILE  53          HG23      ILE  53  -7.662  -5.561  -0.333
  428   2HG2  ILE  53          HG22      ILE  53  -7.860  -4.474   1.042
  429   3HG2  ILE  53          HG21      ILE  53  -6.815  -4.016  -0.302
  430   1HD1  ILE  53          HD11      ILE  53  -6.500  -4.775   3.418
  431   2HD1  ILE  53          HD13      ILE  53  -8.088  -5.490   3.140
  432   3HD1  ILE  53          HD12      ILE  53  -6.922  -6.305   4.179
  433    H    ILE  54           HN       ILE  54  -3.451  -4.365  -0.086
  434    HA   ILE  54           HA       ILE  54  -4.316  -3.007  -2.457
  435    HB   ILE  54           HB       ILE  54  -1.718  -2.990  -0.907
  436   1HG1  ILE  54          HG12      ILE  54  -3.957  -0.961  -1.158
  437   2HG1  ILE  54          HG11      ILE  54  -3.840  -2.147   0.144
  438   1HG2  ILE  54          HG21      ILE  54  -2.554  -1.434  -3.355
  439   2HG2  ILE  54          HG23      ILE  54  -1.401  -0.759  -2.204
  440   3HG2  ILE  54          HG22      ILE  54  -1.028  -2.258  -3.047
  441   1HD1  ILE  54          HD12      ILE  54  -1.358  -1.080   0.349
  442   2HD1  ILE  54          HD11      ILE  54  -2.203   0.315  -0.320
  443   3HD1  ILE  54          HD13      ILE  54  -2.746  -0.399   1.194
  444    H    ALA  55           HN       ALA  55  -1.321  -4.931  -1.981
  445    HA   ALA  55           HA       ALA  55  -0.592  -4.997  -4.725
  446   1HB   ALA  55           HB1      ALA  55  -0.004  -6.898  -2.445
  447   2HB   ALA  55           HB3      ALA  55   0.728  -7.057  -4.041
  448   3HB   ALA  55           HB2      ALA  55   1.033  -5.617  -3.072
  449    H    ASN  56           HN       ASN  56  -2.830  -6.958  -2.899
  450    HA   ASN  56           HA       ASN  56  -3.088  -9.182  -4.637
  451   1HB   ASN  56           HB2      ASN  56  -4.153  -9.146  -2.443
  452   2HB   ASN  56           HB1      ASN  56  -5.183  -7.801  -2.931
  453   1HD2  ASN  56          HD22      ASN  56  -7.447  -9.849  -4.749
  454   2HD2  ASN  56          HD21      ASN  56  -6.942  -8.258  -4.443
  455    H    ALA  57           HN       ALA  57  -4.803  -6.054  -4.660
  456    HA   ALA  57           HA       ALA  57  -6.429  -6.623  -6.937
  457   1HB   ALA  57           HB2      ALA  57  -6.665  -4.687  -5.273
  458   2HB   ALA  57           HB1      ALA  57  -5.403  -3.878  -6.200
  459   3HB   ALA  57           HB3      ALA  57  -6.934  -4.295  -6.971
  460    H    LEU  58           HN       LEU  58  -3.086  -5.562  -6.646
  461    HA   LEU  58           HA       LEU  58  -2.908  -4.939  -9.530
  462   1HB   LEU  58           HB2      LEU  58  -0.909  -4.896  -7.259
  463   2HB   LEU  58           HB1      LEU  58  -0.463  -4.569  -8.927
  464    HG   LEU  58           HG       LEU  58  -2.564  -3.025  -7.372
  465   1HD1  LEU  58          HD13      LEU  58   0.307  -2.333  -8.084
  466   2HD1  LEU  58          HD12      LEU  58  -0.847  -1.220  -7.350
  467   3HD1  LEU  58          HD11      LEU  58  -0.315  -2.649  -6.465
  468   1HD2  LEU  58          HD21      LEU  58  -1.512  -2.904 -10.193
  469   2HD2  LEU  58          HD23      LEU  58  -3.155  -2.655  -9.604
  470   3HD2  LEU  58          HD22      LEU  58  -1.949  -1.391  -9.401
  471    H    GLU  59           HN       GLU  59  -3.184  -7.739  -7.989
  472    HA   GLU  59           HA       GLU  59  -2.428  -9.930  -8.371
  473   1HB   GLU  59           HB2      GLU  59  -1.727  -8.753 -11.080
  474   2HB   GLU  59           HB1      GLU  59  -1.946 -10.465 -10.713
  475   1HG   GLU  59           HG2      GLU  59  -4.271 -10.193 -10.297
  476   2HG   GLU  59           HG1      GLU  59  -4.130  -8.438 -10.201
  477    H    THR  60           HN       THR  60  -0.466  -7.665  -7.570
  478    HA   THR  60           HA       THR  60   2.072  -9.070  -8.334
  479    HB   THR  60           HB       THR  60   1.698  -6.559  -8.888
  480    HG1  THR  60           HG1      THR  60   3.770  -7.981  -8.299
  481   1HG2  THR  60          HG21      THR  60   0.889  -6.190  -6.419
  482   2HG2  THR  60          HG23      THR  60   2.614  -6.129  -6.057
  483   3HG2  THR  60          HG22      THR  60   1.910  -4.969  -7.183
  484    H    LYS  61           HN       LYS  61   3.731  -8.222  -6.323
  485    HA   LYS  61           HA       LYS  61   2.501  -9.458  -3.894
  486   1HB   LYS  61           HB2      LYS  61   5.418  -9.285  -4.701
  487   2HB   LYS  61           HB1      LYS  61   4.793 -10.137  -3.293
  488   1HG   LYS  61           HG2      LYS  61   3.849 -11.850  -4.566
  489   2HG   LYS  61           HG1      LYS  61   3.696 -10.850  -6.007
  490   1HD   LYS  61           HD2      LYS  61   6.444 -11.501  -4.954
  491   2HD   LYS  61           HD1      LYS  61   5.570 -12.709  -5.893
  492   1HE   LYS  61           HE2      LYS  61   5.292 -11.058  -7.729
  493   2HE   LYS  61           HE1      LYS  61   6.216  -9.882  -6.798
  494   1HZ   LYS  61           HZ2      LYS  61   8.001 -11.672  -6.724
  495   2HZ   LYS  61           HZ1      LYS  61   7.141 -12.427  -7.979
  496   3HZ   LYS  61           HZ3      LYS  61   7.770 -10.867  -8.201
  497    HA   PRO  62           HA       PRO  62   3.029  -5.555  -1.802
  498   1HB   PRO  62           HB2      PRO  62   3.916  -6.627   0.721
  499   2HB   PRO  62           HB1      PRO  62   2.272  -6.147   0.281
  500   1HG   PRO  62           HG2      PRO  62   3.357  -8.856   0.566
  501   2HG   PRO  62           HG1      PRO  62   1.671  -8.358   0.366
  502   1HD   PRO  62           HD2      PRO  62   3.303  -9.620  -1.600
  503   2HD   PRO  62           HD1      PRO  62   1.703  -8.895  -1.857
  504    H    GLU  63           HN       GLU  63   5.533  -8.008  -1.634
  505    HA   GLU  63           HA       GLU  63   7.695  -6.433  -0.682
  506   1HB   GLU  63           HB2      GLU  63   8.024  -8.606  -2.752
  507   2HB   GLU  63           HB1      GLU  63   9.091  -8.192  -1.409
  508   1HG   GLU  63           HG2      GLU  63   7.179  -8.850   0.147
  509   2HG   GLU  63           HG1      GLU  63   6.384  -9.535  -1.272
  510    H    VAL  64           HN       VAL  64   5.898  -5.922  -3.458
  511    HA   VAL  64           HA       VAL  64   8.183  -4.935  -5.097
  512    HB   VAL  64           HB       VAL  64   5.208  -4.924  -5.694
  513   1HG1  VAL  64          HG11      VAL  64   7.692  -4.296  -7.299
  514   2HG1  VAL  64          HG13      VAL  64   6.184  -4.769  -8.084
  515   3HG1  VAL  64          HG12      VAL  64   6.243  -3.312  -7.092
  516   1HG2  VAL  64          HG23      VAL  64   6.128  -7.200  -5.401
  517   2HG2  VAL  64          HG22      VAL  64   5.698  -6.890  -7.082
  518   3HG2  VAL  64          HG21      VAL  64   7.389  -6.837  -6.575
  519    H    ILE  65           HN       ILE  65   5.452  -3.741  -3.212
  520    HA   ILE  65           HA       ILE  65   5.900  -0.960  -4.074
  521    HB   ILE  65           HB       ILE  65   4.086  -2.115  -1.937
  522   1HG1  ILE  65          HG12      ILE  65   2.410  -1.242  -3.898
  523   2HG1  ILE  65          HG11      ILE  65   3.803  -1.675  -4.889
  524   1HG2  ILE  65          HG23      ILE  65   4.283   0.658  -3.124
  525   2HG2  ILE  65          HG22      ILE  65   2.950   0.114  -2.110
  526   3HG2  ILE  65          HG21      ILE  65   4.578   0.206  -1.446
  527   1HD1  ILE  65          HD13      ILE  65   3.795  -3.948  -3.885
  528   2HD1  ILE  65          HD12      ILE  65   2.402  -3.501  -2.903
  529   3HD1  ILE  65          HD11      ILE  65   2.251  -3.581  -4.659
  530    H    TRP  66           HN       TRP  66   7.013  -3.082  -1.555
  531    HA   TRP  66           HA       TRP  66   8.455  -0.782  -0.282
  532   1HB   TRP  66           HB2      TRP  66   6.931  -2.992   1.119
  533   2HB   TRP  66           HB1      TRP  66   8.091  -1.940   1.933
  534    HD1  TRP  66           HD1      TRP  66   7.536   0.729   1.904
  535    HE1  TRP  66           HE1      TRP  66   5.264   1.951   1.880
  536    HE3  TRP  66           HE3      TRP  66   4.500  -3.096   0.376
  537    HZ2  TRP  66           HZ2      TRP  66   2.509   1.383   1.285
  538    HZ3  TRP  66           HZ3      TRP  66   2.058  -2.729   0.082
  539    HH2  TRP  66           HH2      TRP  66   1.060  -0.499   0.536
  540    HA   PRO  67           HA       PRO  67  11.183  -4.460  -1.322
  541   1HB   PRO  67           HB2      PRO  67  13.014  -2.919  -2.815
  542   2HB   PRO  67           HB1      PRO  67  11.712  -3.918  -3.489
  543   1HG   PRO  67           HG2      PRO  67  11.860  -0.966  -3.256
  544   2HG   PRO  67           HG1      PRO  67  10.836  -1.945  -4.312
  545   1HD   PRO  67           HD2      PRO  67  10.010  -0.602  -1.958
  546   2HD   PRO  67           HD1      PRO  67   9.069  -1.807  -2.849
  547    H    SER  68           HN       SER  68  11.856  -1.165  -0.176
  548    HA   SER  68           HA       SER  68  14.519  -1.862   0.817
  549   1HB   SER  68           HB2      SER  68  14.544   0.395   1.721
  550   2HB   SER  68           HB1      SER  68  13.910   0.429   0.076
  551    HG   SER  68           HG       SER  68  12.664   0.929   2.497
  552    H    ARG  69           HN       ARG  69  11.378  -2.356   2.062
  553    HA   ARG  69           HA       ARG  69  12.304  -2.268   4.893
  554   1HB   ARG  69           HB2      ARG  69   9.576  -2.778   3.668
  555   2HB   ARG  69           HB1      ARG  69   9.901  -2.763   5.403
  556   1HG   ARG  69           HG2      ARG  69  10.430  -0.443   3.518
  557   2HG   ARG  69           HG1      ARG  69   9.027  -0.573   4.575
  558   1HD   ARG  69           HD2      ARG  69  11.032  -0.967   6.391
  559   2HD   ARG  69           HD1      ARG  69  11.847   0.105   5.255
  560    HE   ARG  69           HE       ARG  69   9.942   0.906   7.195
  561   1HH1  ARG  69          HH21      ARG  69  10.517   1.262   3.808
  562   2HH1  ARG  69          HH22      ARG  69   9.529   2.674   3.664
  563   1HH2  ARG  69          HH11      ARG  69   8.658   2.741   7.015
  564   2HH2  ARG  69          HH12      ARG  69   8.483   3.514   5.474
  565    H    TYR  70           HN       TYR  70  11.890  -4.500   2.323
  566    HA   TYR  70           HA       TYR  70  11.862  -6.837   4.221
  567   1HB   TYR  70           HB2      TYR  70  11.050  -6.476   1.331
  568   2HB   TYR  70           HB1      TYR  70  11.419  -8.079   1.956
  569    HD1  TYR  70           HD2      TYR  70  10.183  -8.859   4.102
  570    HD2  TYR  70           HD1      TYR  70   8.943  -5.523   1.697
  571    HE1  TYR  70           HE2      TYR  70   7.903  -8.995   5.094
  572    HE2  TYR  70           HE1      TYR  70   6.658  -5.646   2.683
  573    HH   TYR  70           HH       TYR  70   5.910  -7.930   5.299
  574    H    GLN  71           HN       GLN  71  13.364  -8.627   3.677
  575    HA   GLN  71           HA       GLN  71  15.549  -8.126   1.798
  576   1HB   GLN  71           HB2      GLN  71  16.138  -6.747   3.851
  577   2HB   GLN  71           HB1      GLN  71  16.252  -8.265   4.739
  578   1HG   GLN  71           HG2      GLN  71  18.473  -7.795   4.018
  579   2HG   GLN  71           HG1      GLN  71  17.881  -9.038   2.915
  580   1HE2  GLN  71          HE22      GLN  71  18.261  -6.987   0.081
  581   2HE2  GLN  71          HE21      GLN  71  18.010  -8.545   0.705
  582    H    ALA  72           HN       ALA  72  14.666 -10.216   1.084
  583    HA   ALA  72           HA       ALA  72  14.574 -12.567   1.073
  584   1HB   ALA  72           HB3      ALA  72  17.081 -12.037   1.040
  585   2HB   ALA  72           HB2      ALA  72  17.072 -12.393   2.767
  586   3HB   ALA  72           HB1      ALA  72  16.637 -13.647   1.608
  587    H    GLY  73           HN       GLY  73  13.735 -10.892   3.639
  588   1HA   GLY  73           HA2      GLY  73  13.997 -12.638   5.881
  589   2HA   GLY  73           HA1      GLY  73  12.749 -11.407   5.703
  590    H    GLU  74           HN       GLU  74  12.767 -14.379   6.560
  591    HA   GLU  74           HA       GLU  74  10.283 -15.068   5.090
  592   1HB   GLU  74           HB2      GLU  74  12.261 -16.171   3.931
  593   2HB   GLU  74           HB1      GLU  74  12.524 -17.081   5.419
  594   1HG   GLU  74           HG2      GLU  74  11.178 -18.473   4.002
  595   2HG   GLU  74           HG1      GLU  74  10.102 -17.839   5.249
   
  No H/Q in entry =         595
  Start of MODEL           6
 Raw file had  612 H/Q atoms
  Start of MODEL    6
    1   1H    CYS   1           HT3      CYS   1  17.024   7.539   8.095
    2   2H    CYS   1           HT2      CYS   1  17.226   8.168   6.533
    3   3H    CYS   1           HT1      CYS   1  17.953   8.943   7.856
    4    HA   CYS   1           HA       CYS   1  16.004   9.883   8.566
    5   1HB   CYS   1           HB2      CYS   1  15.566   9.441   5.589
    6   2HB   CYS   1           HB1      CYS   1  14.881  10.756   6.541
    7    HG   CYS   1           HG       CYS   1  17.594  10.803   5.290
    8    H    SER   2           HN       SER   2  15.756   6.968   8.894
    9    HA   SER   2           HA       SER   2  14.076   5.387   9.286
   10   1HB   SER   2           HB2      SER   2  12.976   7.683  10.126
   11   2HB   SER   2           HB1      SER   2  11.899   7.378   8.767
   12    HG   SER   2           HG       SER   2  11.055   6.307  10.531
   13    H    ASN   3           HN       ASN   3  11.486   5.213   8.067
   14    HA   ASN   3           HA       ASN   3  12.310   4.512   5.308
   15   1HB   ASN   3           HB2      ASN   3  10.178   3.254   5.238
   16   2HB   ASN   3           HB1      ASN   3  11.123   2.801   6.656
   17   1HD2  ASN   3          HD22      ASN   3   7.462   3.784   7.460
   18   2HD2  ASN   3          HD21      ASN   3   8.059   2.921   6.127
   19    H    GLU   4           HN       GLU   4  12.211   7.226   5.599
   20    HA   GLU   4           HA       GLU   4   9.556   8.193   4.679
   21   1HB   GLU   4           HB2      GLU   4  10.860   9.525   6.345
   22   2HB   GLU   4           HB1      GLU   4  12.116   9.765   5.128
   23   1HG   GLU   4           HG2      GLU   4  10.647  11.698   5.161
   24   2HG   GLU   4           HG1      GLU   4  10.434  10.841   3.639
   25    H    LYS   5           HN       LYS   5   9.149   7.946   2.527
   26    HA   LYS   5           HA       LYS   5   9.525   7.747   0.201
   27   1HB   LYS   5           HB2      LYS   5   9.709  10.253   0.808
   28   2HB   LYS   5           HB1      LYS   5  11.450  10.048   0.603
   29   1HG   LYS   5           HG2      LYS   5  10.978   9.085  -1.672
   30   2HG   LYS   5           HG1      LYS   5   9.292   9.514  -1.441
   31   1HD   LYS   5           HD2      LYS   5  10.195  11.901  -0.970
   32   2HD   LYS   5           HD1      LYS   5  11.675  11.323  -1.733
   33   1HE   LYS   5           HE2      LYS   5  10.415  10.720  -3.773
   34   2HE   LYS   5           HE1      LYS   5   8.912  11.240  -3.007
   35   1HZ   LYS   5           HZ1      LYS   5  10.001  13.456  -2.722
   36   2HZ   LYS   5           HZ3      LYS   5  11.240  12.904  -3.752
   37   3HZ   LYS   5           HZ2      LYS   5   9.647  13.017  -4.324
   38    H    ALA   6           HN       ALA   6  11.220   6.085   1.812
   39    HA   ALA   6           HA       ALA   6  13.917   6.269   0.642
   40   1HB   ALA   6           HB1      ALA   6  12.667   4.266   2.536
   41   2HB   ALA   6           HB3      ALA   6  14.329   4.186   1.961
   42   3HB   ALA   6           HB2      ALA   6  13.807   5.555   2.941
   43    H    ARG   7           HN       ARG   7  12.760   3.082   1.063
   44    HA   ARG   7           HA       ARG   7  13.036   2.655  -1.856
   45   1HB   ARG   7           HB2      ARG   7  12.500   0.524   0.229
   46   2HB   ARG   7           HB1      ARG   7  13.264   0.321  -1.339
   47   1HG   ARG   7           HG2      ARG   7  14.517   2.013   0.839
   48   2HG   ARG   7           HG1      ARG   7  14.794   0.277   0.729
   49   1HD   ARG   7           HD2      ARG   7  15.329   2.257  -1.496
   50   2HD   ARG   7           HD1      ARG   7  16.557   1.552  -0.447
   51    HE   ARG   7           HE       ARG   7  15.145  -0.608  -1.514
   52   1HH1  ARG   7          HH21      ARG   7  16.924   2.098  -2.654
   53   2HH1  ARG   7          HH22      ARG   7  17.456   1.318  -4.105
   54   1HH2  ARG   7          HH11      ARG   7  15.773  -1.641  -3.423
   55   2HH2  ARG   7          HH12      ARG   7  16.786  -0.803  -4.551
   56    H    ASP   8           HN       ASP   8  10.658   3.158   0.459
   57    HA   ASP   8           HA       ASP   8   8.558   1.532  -0.658
   58   1HB   ASP   8           HB2      ASP   8   8.251   4.080   0.958
   59   2HB   ASP   8           HB1      ASP   8   7.089   2.758   0.804
   60    H    TRP   9           HN       TRP   9   6.748   2.279  -1.861
   61    HA   TRP   9           HA       TRP   9   7.281   4.104  -4.050
   62   1HB   TRP   9           HB2      TRP   9   4.853   2.620  -2.979
   63   2HB   TRP   9           HB1      TRP   9   4.716   3.727  -4.342
   64    HD1  TRP   9           HD1      TRP   9   7.538   1.191  -3.569
   65    HE1  TRP   9           HE1      TRP   9   7.817  -0.367  -5.598
   66    HE3  TRP   9           HE3      TRP   9   3.703   2.887  -6.456
   67    HZ2  TRP   9           HZ2      TRP   9   6.543  -0.865  -8.139
   68    HZ3  TRP   9           HZ3      TRP   9   3.234   1.867  -8.655
   69    HH2  TRP   9           HH2      TRP   9   4.635   0.000  -9.516
   70    H    HIS  10           HN       HIS  10   7.219   6.303  -3.834
   71    HA   HIS  10           HA       HIS  10   6.586   7.801  -1.618
   72   1HB   HIS  10           HB2      HIS  10   7.513   8.861  -3.584
   73   2HB   HIS  10           HB1      HIS  10   6.044   8.533  -4.501
   74    HD1  HIS  10           HD1      HIS  10   5.886   9.704  -0.940
   75    HD2  HIS  10           HD2      HIS  10   5.380  11.271  -4.763
   76    HE1  HIS  10           HE1      HIS  10   4.855  12.006  -0.642
   77    H    ARG  11           HN       ARG  11   4.697   8.797  -0.760
   78    HA   ARG  11           HA       ARG  11   2.383   7.276  -0.589
   79   1HB   ARG  11           HB2      ARG  11   2.461  10.315  -0.452
   80   2HB   ARG  11           HB1      ARG  11   1.206   9.277   0.226
   81   1HG   ARG  11           HG2      ARG  11   3.067   8.142   1.560
   82   2HG   ARG  11           HG1      ARG  11   4.097   9.481   1.061
   83   1HD   ARG  11           HD2      ARG  11   1.644   9.565   2.817
   84   2HD   ARG  11           HD1      ARG  11   3.262  10.196   3.137
   85    HE   ARG  11           HE       ARG  11   2.429  11.663   0.936
   86   1HH1  ARG  11          HH21      ARG  11   1.162  10.859   4.010
   87   2HH1  ARG  11          HH22      ARG  11   0.301  12.349   4.216
   88   1HH2  ARG  11          HH11      ARG  11   1.307  13.616   1.120
   89   2HH2  ARG  11          HH12      ARG  11   0.387  13.933   2.554
   90    H    ALA  12           HN       ALA  12   3.126   9.697  -3.040
   91    HA   ALA  12           HA       ALA  12   0.478   9.443  -4.285
   92   1HB   ALA  12           HB2      ALA  12   1.932  11.523  -4.383
   93   2HB   ALA  12           HB1      ALA  12   2.960  10.649  -5.514
   94   3HB   ALA  12           HB3      ALA  12   1.275  10.980  -5.925
   95    H    ASP  13           HN       ASP  13   3.634   7.926  -4.561
   96    HA   ASP  13           HA       ASP  13   3.201   6.836  -7.192
   97   1HB   ASP  13           HB2      ASP  13   4.967   6.023  -4.890
   98   2HB   ASP  13           HB1      ASP  13   4.917   5.091  -6.386
   99    H    VAL  14           HN       VAL  14   2.128   5.989  -3.997
  100    HA   VAL  14           HA       VAL  14   1.279   3.296  -4.711
  101    HB   VAL  14           HB       VAL  14   0.670   5.110  -2.354
  102   1HG1  VAL  14          HG13      VAL  14  -0.244   2.249  -2.810
  103   2HG1  VAL  14          HG12      VAL  14  -0.401   3.128  -1.290
  104   3HG1  VAL  14          HG11      VAL  14  -1.287   3.666  -2.708
  105   1HG2  VAL  14          HG22      VAL  14   2.312   2.566  -2.628
  106   2HG2  VAL  14          HG21      VAL  14   2.951   4.195  -2.407
  107   3HG2  VAL  14          HG23      VAL  14   2.027   3.427  -1.115
  108    H    ILE  15           HN       ILE  15  -0.589   6.305  -3.964
  109    HA   ILE  15           HA       ILE  15  -3.020   5.148  -5.056
  110    HB   ILE  15           HB       ILE  15  -2.381   8.039  -4.437
  111   1HG1  ILE  15          HG12      ILE  15  -3.693   5.904  -2.711
  112   2HG1  ILE  15          HG11      ILE  15  -2.015   6.413  -2.549
  113   1HG2  ILE  15          HG21      ILE  15  -5.000   6.521  -4.687
  114   2HG2  ILE  15          HG23      ILE  15  -4.846   8.216  -4.228
  115   3HG2  ILE  15          HG22      ILE  15  -4.388   7.700  -5.845
  116   1HD1  ILE  15          HD12      ILE  15  -2.993   8.806  -2.329
  117   2HD1  ILE  15          HD11      ILE  15  -4.509   7.978  -1.969
  118   3HD1  ILE  15          HD13      ILE  15  -3.095   7.718  -0.949
  119    H    ALA  16           HN       ALA  16  -0.777   7.698  -6.311
  120    HA   ALA  16           HA       ALA  16  -2.206   8.198  -8.703
  121   1HB   ALA  16           HB3      ALA  16  -0.089   9.407  -7.892
  122   2HB   ALA  16           HB2      ALA  16   0.817   8.067  -8.600
  123   3HB   ALA  16           HB1      ALA  16  -0.191   9.086  -9.623
  124    H    GLY  17           HN       GLY  17   0.374   5.806  -8.114
  125   1HA   GLY  17           HA2      GLY  17   0.272   4.634 -10.702
  126   2HA   GLY  17           HA1      GLY  17   0.886   3.840  -9.254
  127    H    LEU  18           HN       LEU  18  -1.215   3.410  -7.657
  128    HA   LEU  18           HA       LEU  18  -2.647   1.314  -8.989
  129   1HB   LEU  18           HB2      LEU  18  -3.084   2.693  -6.329
  130   2HB   LEU  18           HB1      LEU  18  -4.022   1.296  -6.856
  131    HG   LEU  18           HG       LEU  18  -1.007   1.181  -6.860
  132   1HD1  LEU  18          HD11      LEU  18  -2.850   0.554  -4.540
  133   2HD1  LEU  18          HD13      LEU  18  -1.124   0.208  -4.594
  134   3HD1  LEU  18          HD12      LEU  18  -1.691   1.875  -4.591
  135   1HD2  LEU  18          HD22      LEU  18  -3.215  -0.879  -6.545
  136   2HD2  LEU  18          HD21      LEU  18  -2.206  -0.650  -7.971
  137   3HD2  LEU  18          HD23      LEU  18  -1.494  -1.234  -6.473
  138    H    LYS  19           HN       LYS  19  -3.853   4.395  -7.674
  139    HA   LYS  19           HA       LYS  19  -6.488   4.137  -8.672
  140   1HB   LYS  19           HB2      LYS  19  -5.587   5.834  -7.014
  141   2HB   LYS  19           HB1      LYS  19  -5.000   6.751  -8.398
  142   1HG   LYS  19           HG2      LYS  19  -7.241   7.010  -9.257
  143   2HG   LYS  19           HG1      LYS  19  -7.885   5.906  -8.044
  144   1HD   LYS  19           HD2      LYS  19  -7.303   7.438  -6.255
  145   2HD   LYS  19           HD1      LYS  19  -6.491   8.513  -7.398
  146   1HE   LYS  19           HE2      LYS  19  -8.853   9.204  -6.747
  147   2HE   LYS  19           HE1      LYS  19  -8.555   9.066  -8.481
  148   1HZ   LYS  19           HZ2      LYS  19  -9.623   6.811  -6.892
  149   2HZ   LYS  19           HZ1      LYS  19 -10.641   7.986  -7.575
  150   3HZ   LYS  19           HZ3      LYS  19  -9.666   7.027  -8.577
  151    H    LYS  20           HN       LYS  20  -3.655   4.417 -10.455
  152    HA   LYS  20           HA       LYS  20  -4.393   6.085 -12.623
  153   1HB   LYS  20           HB2      LYS  20  -2.129   4.927 -12.204
  154   2HB   LYS  20           HB1      LYS  20  -2.857   3.495 -12.928
  155   1HG   LYS  20           HG2      LYS  20  -3.433   4.943 -14.935
  156   2HG   LYS  20           HG1      LYS  20  -2.411   6.191 -14.225
  157   1HD   LYS  20           HD2      LYS  20  -0.480   4.693 -14.269
  158   2HD   LYS  20           HD1      LYS  20  -1.488   3.375 -14.877
  159   1HE   LYS  20           HE2      LYS  20  -1.890   4.514 -16.945
  160   2HE   LYS  20           HE1      LYS  20  -1.209   6.017 -16.324
  161   1HZ   LYS  20           HZ3      LYS  20   0.911   4.646 -16.016
  162   2HZ   LYS  20           HZ2      LYS  20   0.195   3.530 -17.076
  163   3HZ   LYS  20           HZ1      LYS  20   0.495   5.121 -17.593
  164    H    ARG  21           HN       ARG  21  -5.319   2.815 -11.781
  165    HA   ARG  21           HA       ARG  21  -6.885   2.541 -14.294
  166   1HB   ARG  21           HB2      ARG  21  -6.257   0.673 -11.982
  167   2HB   ARG  21           HB1      ARG  21  -7.482   0.288 -13.192
  168   1HG   ARG  21           HG2      ARG  21  -5.848   0.401 -14.973
  169   2HG   ARG  21           HG1      ARG  21  -4.615   0.987 -13.859
  170   1HD   ARG  21           HD2      ARG  21  -4.426  -1.471 -14.385
  171   2HD   ARG  21           HD1      ARG  21  -4.594  -1.125 -12.661
  172    HE   ARG  21           HE       ARG  21  -7.202  -1.521 -13.529
  173   1HH1  ARG  21          HH21      ARG  21  -4.211  -3.234 -13.672
  174   2HH1  ARG  21          HH22      ARG  21  -4.953  -4.799 -13.678
  175   1HH2  ARG  21          HH11      ARG  21  -8.187  -3.574 -13.556
  176   2HH2  ARG  21          HH12      ARG  21  -7.192  -4.988 -13.637
  177    H    LYS  22           HN       LYS  22  -7.917   1.326 -11.176
  178    HA   LYS  22           HA       LYS  22  -9.742   3.562 -10.731
  179   1HB   LYS  22           HB2      LYS  22 -11.779   2.037 -10.728
  180   2HB   LYS  22           HB1      LYS  22 -11.121   2.401 -12.322
  181   1HG   LYS  22           HG2      LYS  22  -9.985   0.273 -12.419
  182   2HG   LYS  22           HG1      LYS  22 -10.387  -0.073 -10.737
  183   1HD   LYS  22           HD2      LYS  22 -12.805  -0.036 -11.336
  184   2HD   LYS  22           HD1      LYS  22 -12.359   0.208 -13.026
  185   1HE   LYS  22           HE2      LYS  22 -11.337  -1.934 -13.178
  186   2HE   LYS  22           HE1      LYS  22 -11.314  -2.136 -11.426
  187   1HZ   LYS  22           HZ2      LYS  22 -13.959  -1.677 -12.253
  188   2HZ   LYS  22           HZ1      LYS  22 -13.307  -2.912 -13.221
  189   3HZ   LYS  22           HZ3      LYS  22 -13.308  -3.074 -11.535
  190    H    LEU  23           HN       LEU  23  -7.809   2.870  -9.026
  191    HA   LEU  23           HA       LEU  23  -9.213   1.307  -6.869
  192   1HB   LEU  23           HB2      LEU  23  -6.240   1.611  -7.245
  193   2HB   LEU  23           HB1      LEU  23  -7.046   0.598  -6.055
  194    HG   LEU  23           HG       LEU  23  -7.408   0.215  -9.045
  195   1HD1  LEU  23          HD12      LEU  23  -5.451  -1.106  -7.149
  196   2HD1  LEU  23          HD11      LEU  23  -5.773  -1.645  -8.799
  197   3HD1  LEU  23          HD13      LEU  23  -5.044  -0.065  -8.513
  198   1HD2  LEU  23          HD22      LEU  23  -7.959  -1.498  -6.596
  199   2HD2  LEU  23          HD21      LEU  23  -9.151  -0.849  -7.723
  200   3HD2  LEU  23          HD23      LEU  23  -8.033  -2.109  -8.249
  201    H    SER  24           HN       SER  24  -9.084   2.118  -4.784
  202    HA   SER  24           HA       SER  24  -7.579   4.590  -4.235
  203   1HB   SER  24           HB2      SER  24  -9.796   5.573  -3.265
  204   2HB   SER  24           HB1      SER  24  -9.518   5.691  -5.002
  205    HG   SER  24           HG       SER  24 -10.950   4.104  -5.351
  206    H    LEU  25           HN       LEU  25  -6.729   4.274  -2.204
  207    HA   LEU  25           HA       LEU  25  -7.154   2.073  -0.574
  208   1HB   LEU  25           HB2      LEU  25  -6.607   4.897   0.403
  209   2HB   LEU  25           HB1      LEU  25  -6.283   3.409   1.304
  210    HG   LEU  25           HG       LEU  25  -5.101   3.804  -1.450
  211   1HD1  LEU  25          HD12      LEU  25  -4.081   4.933   1.161
  212   2HD1  LEU  25          HD11      LEU  25  -3.035   4.657  -0.235
  213   3HD1  LEU  25          HD13      LEU  25  -4.382   5.785  -0.352
  214   1HD2  LEU  25          HD23      LEU  25  -4.268   2.232   1.021
  215   2HD2  LEU  25          HD22      LEU  25  -4.867   1.570  -0.502
  216   3HD2  LEU  25          HD21      LEU  25  -3.294   2.362  -0.446
  217    H    SER  26           HN       SER  26  -9.257   4.846  -0.923
  218    HA   SER  26           HA       SER  26 -10.826   4.263   1.466
  219   1HB   SER  26           HB2      SER  26 -11.379   6.037  -0.932
  220   2HB   SER  26           HB1      SER  26 -12.431   5.924   0.475
  221    HG   SER  26           HG       SER  26 -10.418   7.510   0.203
  222    H    ALA  27           HN       ALA  27 -11.199   3.655  -2.034
  223    HA   ALA  27           HA       ALA  27 -13.780   2.373  -1.665
  224   1HB   ALA  27           HB3      ALA  27 -13.112   3.348  -3.836
  225   2HB   ALA  27           HB2      ALA  27 -11.838   2.141  -3.981
  226   3HB   ALA  27           HB1      ALA  27 -13.529   1.642  -3.997
  227    H    LEU  28           HN       LEU  28 -10.443   1.212  -1.961
  228    HA   LEU  28           HA       LEU  28 -11.077  -1.571  -1.987
  229   1HB   LEU  28           HB2      LEU  28  -8.646   0.062  -1.291
  230   2HB   LEU  28           HB1      LEU  28  -8.658  -1.665  -0.925
  231    HG   LEU  28           HG       LEU  28  -9.110  -2.216  -3.230
  232   1HD1  LEU  28          HD11      LEU  28  -9.443   0.769  -3.535
  233   2HD1  LEU  28          HD13      LEU  28  -9.042  -0.237  -4.925
  234   3HD1  LEU  28          HD12      LEU  28 -10.536  -0.512  -4.040
  235   1HD2  LEU  28          HD22      LEU  28  -6.918  -0.136  -2.980
  236   2HD2  LEU  28          HD21      LEU  28  -6.759  -1.863  -2.665
  237   3HD2  LEU  28          HD23      LEU  28  -7.055  -1.291  -4.306
  238    H    SER  29           HN       SER  29 -10.975   0.785   0.580
  239    HA   SER  29           HA       SER  29 -10.777  -1.106   2.754
  240   1HB   SER  29           HB2      SER  29 -10.359   0.949   3.671
  241   2HB   SER  29           HB1      SER  29 -11.320   1.790   2.460
  242    HG   SER  29           HG       SER  29 -12.654   1.980   4.092
  243    H    ARG  30           HN       ARG  30 -13.596   0.729   1.502
  244    HA   ARG  30           HA       ARG  30 -15.482  -0.757   3.079
  245   1HB   ARG  30           HB2      ARG  30 -17.180   0.242   1.493
  246   2HB   ARG  30           HB1      ARG  30 -16.136   1.420   2.289
  247   1HG   ARG  30           HG2      ARG  30 -14.797   1.704   0.340
  248   2HG   ARG  30           HG1      ARG  30 -15.469   0.263  -0.420
  249   1HD   ARG  30           HD2      ARG  30 -16.388   2.422  -1.330
  250   2HD   ARG  30           HD1      ARG  30 -17.615   1.319  -0.714
  251    HE   ARG  30           HE       ARG  30 -16.987   2.956   1.452
  252   1HH1  ARG  30          HH21      ARG  30 -17.966   3.385  -1.829
  253   2HH1  ARG  30          HH22      ARG  30 -18.856   4.837  -1.513
  254   1HH2  ARG  30          HH11      ARG  30 -18.138   4.850   1.884
  255   2HH2  ARG  30          HH12      ARG  30 -18.942   5.677   0.591
  256    H    GLN  31           HN       GLN  31 -13.930  -1.428   0.062
  257    HA   GLN  31           HA       GLN  31 -15.904  -3.150  -1.073
  258   1HB   GLN  31           HB2      GLN  31 -12.967  -2.729  -1.400
  259   2HB   GLN  31           HB1      GLN  31 -13.624  -4.228  -2.044
  260   1HG   GLN  31           HG2      GLN  31 -15.303  -2.914  -3.326
  261   2HG   GLN  31           HG1      GLN  31 -14.554  -1.424  -2.743
  262   1HE2  GLN  31          HE22      GLN  31 -12.998  -3.204  -5.944
  263   2HE2  GLN  31          HE21      GLN  31 -14.551  -3.518  -5.335
  264    H    PHE  32           HN       PHE  32 -13.311  -3.767   1.280
  265    HA   PHE  32           HA       PHE  32 -14.149  -6.632   1.444
  266   1HB   PHE  32           HB2      PHE  32 -11.734  -5.114   2.474
  267   2HB   PHE  32           HB1      PHE  32 -12.079  -6.792   2.907
  268    HD1  PHE  32           HD1      PHE  32 -11.418  -4.505   0.038
  269    HD2  PHE  32           HD2      PHE  32 -11.715  -8.585   1.382
  270    HE1  PHE  32           HE1      PHE  32 -10.459  -5.287  -2.114
  271    HE2  PHE  32           HE2      PHE  32 -10.766  -9.369  -0.773
  272    HZ   PHE  32           HZ       PHE  32 -10.138  -7.723  -2.524
  273    H    GLY  33           HN       GLY  33 -14.227  -3.615   3.219
  274   1HA   GLY  33           HA2      GLY  33 -16.145  -3.600   4.903
  275   2HA   GLY  33           HA1      GLY  33 -15.400  -5.044   5.582
  276    H    TYR  34           HN       TYR  34 -12.690  -4.313   5.542
  277    HA   TYR  34           HA       TYR  34 -12.333  -2.942   7.921
  278   1HB   TYR  34           HB2      TYR  34 -10.459  -2.576   5.585
  279   2HB   TYR  34           HB1      TYR  34 -10.066  -2.574   7.298
  280    HD1  TYR  34           HD2      TYR  34 -11.281  -4.903   8.465
  281    HD2  TYR  34           HD1      TYR  34  -9.559  -4.449   4.536
  282    HE1  TYR  34           HE2      TYR  34 -10.871  -7.338   8.359
  283    HE2  TYR  34           HE1      TYR  34  -9.156  -6.893   4.444
  284    HH   TYR  34           HH       TYR  34 -10.106  -8.963   5.510
  285    H    ALA  35           HN       ALA  35 -12.587  -0.859   8.571
  286    HA   ALA  35           HA       ALA  35 -13.852   1.069   6.962
  287   1HB   ALA  35           HB2      ALA  35 -12.840   0.904   9.663
  288   2HB   ALA  35           HB1      ALA  35 -12.433   2.483   9.003
  289   3HB   ALA  35           HB3      ALA  35 -14.115   1.949   9.044
  290    HA   PRO  36           HA       PRO  36 -10.770   3.062   4.559
  291   1HB   PRO  36           HB2      PRO  36 -11.227   5.788   5.319
  292   2HB   PRO  36           HB1      PRO  36 -11.938   4.933   3.943
  293   1HG   PRO  36           HG2      PRO  36 -13.200   5.671   6.491
  294   2HG   PRO  36           HG1      PRO  36 -13.964   5.107   4.997
  295   1HD   PRO  36           HD2      PRO  36 -13.659   3.610   7.376
  296   2HD   PRO  36           HD1      PRO  36 -14.129   2.973   5.789
  297    H    THR  37           HN       THR  37 -10.910   3.797   7.977
  298    HA   THR  37           HA       THR  37  -8.331   5.086   8.164
  299    HB   THR  37           HB       THR  37  -8.576   4.887  10.521
  300    HG1  THR  37           HG1      THR  37 -10.635   3.324  10.873
  301   1HG2  THR  37          HG22      THR  37 -10.313   6.295   9.353
  302   2HG2  THR  37          HG21      THR  37 -11.412   4.919   9.455
  303   3HG2  THR  37          HG23      THR  37 -10.820   5.686  10.929
  304    H    THR  38           HN       THR  38  -9.429   1.710   8.447
  305    HA   THR  38           HA       THR  38  -7.021   0.569   9.397
  306    HB   THR  38           HB       THR  38  -9.254  -0.470   7.661
  307    HG1  THR  38           HG1      THR  38  -9.934  -1.253   9.523
  308   1HG2  THR  38          HG22      THR  38  -6.624  -1.751   8.269
  309   2HG2  THR  38          HG21      THR  38  -8.060  -2.752   8.456
  310   3HG2  THR  38          HG23      THR  38  -7.708  -2.003   6.900
  311    H    LEU  39           HN       LEU  39  -8.071   0.748   5.964
  312    HA   LEU  39           HA       LEU  39  -5.707  -0.183   4.802
  313   1HB   LEU  39           HB2      LEU  39  -8.071   1.206   3.923
  314   2HB   LEU  39           HB1      LEU  39  -6.702   1.976   3.149
  315    HG   LEU  39           HG       LEU  39  -7.482   0.231   1.699
  316   1HD1  LEU  39          HD12      LEU  39  -4.870   0.420   2.450
  317   2HD1  LEU  39          HD11      LEU  39  -5.155  -1.277   2.837
  318   3HD1  LEU  39          HD13      LEU  39  -5.437  -0.680   1.198
  319   1HD2  LEU  39          HD23      LEU  39  -8.632  -1.005   3.615
  320   2HD2  LEU  39          HD22      LEU  39  -7.890  -2.016   2.381
  321   3HD2  LEU  39          HD21      LEU  39  -7.087  -1.782   3.930
  322    H    ALA  40           HN       ALA  40  -6.467   3.287   5.331
  323    HA   ALA  40           HA       ALA  40  -3.939   4.304   4.608
  324   1HB   ALA  40           HB1      ALA  40  -5.948   5.704   5.103
  325   2HB   ALA  40           HB3      ALA  40  -5.763   5.312   6.812
  326   3HB   ALA  40           HB2      ALA  40  -4.523   6.254   5.987
  327    H    ASN  41           HN       ASN  41  -5.085   3.469   7.891
  328    HA   ASN  41           HA       ASN  41  -2.675   3.938   9.266
  329   1HB   ASN  41           HB2      ASN  41  -4.845   1.884   9.797
  330   2HB   ASN  41           HB1      ASN  41  -3.564   2.301  10.938
  331   1HD2  ASN  41          HD22      ASN  41  -6.755   4.480  11.249
  332   2HD2  ASN  41          HD21      ASN  41  -6.646   2.830  10.866
  333    H    ALA  42           HN       ALA  42  -3.241   1.565   6.868
  334    HA   ALA  42           HA       ALA  42  -1.519  -0.513   7.932
  335   1HB   ALA  42           HB3      ALA  42  -3.221  -0.843   6.092
  336   2HB   ALA  42           HB2      ALA  42  -2.140   0.054   5.025
  337   3HB   ALA  42           HB1      ALA  42  -1.621  -1.482   5.716
  338    H    LEU  43           HN       LEU  43  -0.934   2.555   6.570
  339    HA   LEU  43           HA       LEU  43   1.757   1.893   5.561
  340   1HB   LEU  43           HB2      LEU  43   0.455   4.610   5.903
  341   2HB   LEU  43           HB1      LEU  43   1.919   4.256   4.983
  342    HG   LEU  43           HG       LEU  43  -0.652   2.834   4.299
  343   1HD1  LEU  43          HD11      LEU  43   0.125   5.646   3.497
  344   2HD1  LEU  43          HD13      LEU  43  -1.016   4.671   2.570
  345   3HD1  LEU  43          HD12      LEU  43  -1.380   5.107   4.239
  346   1HD2  LEU  43          HD23      LEU  43   1.692   2.297   3.304
  347   2HD2  LEU  43          HD22      LEU  43   0.355   2.514   2.179
  348   3HD2  LEU  43          HD21      LEU  43   1.514   3.817   2.430
  349    H    GLU  44           HN       GLU  44   0.302   3.045   8.500
  350    HA   GLU  44           HA       GLU  44   2.970   3.901   9.550
  351   1HB   GLU  44           HB2      GLU  44   0.185   4.292  10.675
  352   2HB   GLU  44           HB1      GLU  44   1.672   4.931  11.375
  353   1HG   GLU  44           HG2      GLU  44   0.880   5.558   8.520
  354   2HG   GLU  44           HG1      GLU  44   0.300   6.522   9.877
  355    H    ARG  45           HN       ARG  45   0.113   2.076  10.749
  356    HA   ARG  45           HA       ARG  45   1.686   0.774  12.824
  357   1HB   ARG  45           HB2      ARG  45  -1.094   0.313  11.738
  358   2HB   ARG  45           HB1      ARG  45  -0.417  -0.631  13.066
  359   1HG   ARG  45           HG2      ARG  45  -0.042   1.481  14.337
  360   2HG   ARG  45           HG1      ARG  45  -0.784   2.384  13.015
  361   1HD   ARG  45           HD2      ARG  45  -2.878   1.130  13.305
  362   2HD   ARG  45           HD1      ARG  45  -2.146   0.198  14.613
  363    HE   ARG  45           HE       ARG  45  -1.805   2.825  15.416
  364   1HH1  ARG  45          HH21      ARG  45  -4.430   0.865  14.385
  365   2HH1  ARG  45          HH22      ARG  45  -5.604   1.715  15.333
  366   1HH2  ARG  45          HH11      ARG  45  -3.299   3.937  16.664
  367   2HH2  ARG  45          HH12      ARG  45  -4.963   3.455  16.633
  368    H    HIS  46           HN       HIS  46   2.394  -1.382  12.888
  369    HA   HIS  46           HA       HIS  46   3.233  -2.550  10.389
  370   1HB   HIS  46           HB2      HIS  46   4.528  -2.929  12.444
  371   2HB   HIS  46           HB1      HIS  46   3.147  -3.737  13.192
  372    HD1  HIS  46           HD1      HIS  46   5.702  -4.180  10.452
  373    HD2  HIS  46           HD2      HIS  46   2.724  -6.397  12.354
  374    HE1  HIS  46           HE1      HIS  46   5.965  -6.565   9.669
  375    H    TRP  47           HN       TRP  47   1.900  -3.582   9.036
  376    HA   TRP  47           HA       TRP  47   0.172  -5.718   9.921
  377   1HB   TRP  47           HB2      TRP  47  -1.230  -3.749  10.548
  378   2HB   TRP  47           HB1      TRP  47  -1.162  -3.197   8.873
  379    HD1  TRP  47           HD1      TRP  47  -1.828  -6.758  10.290
  380    HE1  TRP  47           HE1      TRP  47  -4.004  -7.641   9.247
  381    HE3  TRP  47           HE3      TRP  47  -3.234  -2.644   7.589
  382    HZ2  TRP  47           HZ2      TRP  47  -6.088  -6.728   7.511
  383    HZ3  TRP  47           HZ3      TRP  47  -5.341  -2.680   6.263
  384    HH2  TRP  47           HH2      TRP  47  -6.764  -4.716   6.228
  385    HA   PRO  48           HA       PRO  48   2.052  -5.622   5.639
  386   1HB   PRO  48           HB2      PRO  48   2.530  -8.485   6.138
  387   2HB   PRO  48           HB1      PRO  48   3.702  -7.215   5.751
  388   1HG   PRO  48           HG2      PRO  48   3.393  -8.440   8.272
  389   2HG   PRO  48           HG1      PRO  48   4.252  -6.919   7.966
  390   1HD   PRO  48           HD2      PRO  48   1.639  -7.327   9.256
  391   2HD   PRO  48           HD1      PRO  48   2.666  -5.876   9.247
  392    H    LYS  49           HN       LYS  49  -0.501  -7.379   7.205
  393    HA   LYS  49           HA       LYS  49  -1.321  -8.886   4.871
  394   1HB   LYS  49           HB2      LYS  49  -1.943  -9.335   7.343
  395   2HB   LYS  49           HB1      LYS  49  -3.159  -8.078   7.140
  396   1HG   LYS  49           HG2      LYS  49  -3.092 -10.243   5.052
  397   2HG   LYS  49           HG1      LYS  49  -3.679 -10.686   6.643
  398   1HD   LYS  49           HD2      LYS  49  -5.340  -8.857   6.552
  399   2HD   LYS  49           HD1      LYS  49  -4.749  -8.408   4.955
  400   1HE   LYS  49           HE2      LYS  49  -5.277 -10.754   4.183
  401   2HE   LYS  49           HE1      LYS  49  -6.065 -11.018   5.740
  402   1HZ   LYS  49           HZ2      LYS  49  -7.305  -8.839   5.114
  403   2HZ   LYS  49           HZ1      LYS  49  -6.856  -9.252   3.528
  404   3HZ   LYS  49           HZ3      LYS  49  -7.805 -10.317   4.442
  405    H    GLY  50           HN       GLY  50  -1.853  -5.641   6.051
  406   1HA   GLY  50           HA2      GLY  50  -4.127  -5.039   4.344
  407   2HA   GLY  50           HA1      GLY  50  -3.085  -3.845   5.125
  408    H    GLU  51           HN       GLU  51  -0.660  -5.190   3.940
  409    HA   GLU  51           HA       GLU  51  -0.554  -3.639   1.495
  410   1HB   GLU  51           HB2      GLU  51   1.369  -5.837   2.287
  411   2HB   GLU  51           HB1      GLU  51   1.699  -4.409   1.306
  412   1HG   GLU  51           HG2      GLU  51   0.888  -4.245   4.226
  413   2HG   GLU  51           HG1      GLU  51   2.565  -4.324   3.709
  414    H    GLN  52           HN       GLN  52  -1.173  -6.999   2.339
  415    HA   GLN  52           HA       GLN  52  -0.894  -8.118  -0.266
  416   1HB   GLN  52           HB2      GLN  52  -2.581  -8.866   2.123
  417   2HB   GLN  52           HB1      GLN  52  -2.631  -9.802   0.631
  418   1HG   GLN  52           HG2      GLN  52   0.026  -9.150   1.904
  419   2HG   GLN  52           HG1      GLN  52  -0.942 -10.488   2.522
  420   1HE2  GLN  52          HE22      GLN  52   0.626 -10.788  -1.263
  421   2HE2  GLN  52          HE21      GLN  52   0.453  -9.251  -0.564
  422    H    ILE  53           HN       ILE  53  -3.660  -6.586   1.374
  423    HA   ILE  53           HA       ILE  53  -5.616  -7.052  -0.629
  424    HB   ILE  53           HB       ILE  53  -5.272  -4.594   1.127
  425   1HG1  ILE  53          HG12      ILE  53  -6.840  -7.147   1.576
  426   2HG1  ILE  53          HG11      ILE  53  -5.290  -6.767   2.331
  427   1HG2  ILE  53          HG23      ILE  53  -6.944  -4.434  -0.808
  428   2HG2  ILE  53          HG22      ILE  53  -7.836  -5.730  -0.014
  429   3HG2  ILE  53          HG21      ILE  53  -7.606  -4.188   0.806
  430   1HD1  ILE  53          HD12      ILE  53  -6.476  -4.588   3.134
  431   2HD1  ILE  53          HD11      ILE  53  -7.970  -5.456   2.770
  432   3HD1  ILE  53          HD13      ILE  53  -6.842  -6.100   3.961
  433    H    ILE  54           HN       ILE  54  -3.470  -4.213  -0.241
  434    HA   ILE  54           HA       ILE  54  -4.236  -2.959  -2.680
  435    HB   ILE  54           HB       ILE  54  -1.688  -2.806  -1.044
  436   1HG1  ILE  54          HG12      ILE  54  -3.868  -0.730  -1.302
  437   2HG1  ILE  54          HG11      ILE  54  -4.037  -2.061  -0.158
  438   1HG2  ILE  54          HG21      ILE  54  -2.480  -1.521  -3.623
  439   2HG2  ILE  54          HG23      ILE  54  -1.730  -0.463  -2.432
  440   3HG2  ILE  54          HG22      ILE  54  -0.875  -1.893  -3.005
  441   1HD1  ILE  54          HD12      ILE  54  -1.748  -1.389   0.764
  442   2HD1  ILE  54          HD11      ILE  54  -1.898   0.081  -0.197
  443   3HD1  ILE  54          HD13      ILE  54  -3.064  -0.266   1.075
  444    H    ALA  55           HN       ALA  55  -1.310  -4.927  -1.963
  445    HA   ALA  55           HA       ALA  55  -0.239  -4.924  -4.568
  446   1HB   ALA  55           HB1      ALA  55   0.938  -5.790  -2.564
  447   2HB   ALA  55           HB3      ALA  55  -0.148  -7.178  -2.541
  448   3HB   ALA  55           HB2      ALA  55   0.965  -6.954  -3.890
  449    H    ASN  56           HN       ASN  56  -2.759  -6.967  -3.153
  450    HA   ASN  56           HA       ASN  56  -2.963  -8.896  -5.224
  451   1HB   ASN  56           HB2      ASN  56  -4.172  -9.004  -3.032
  452   2HB   ASN  56           HB1      ASN  56  -5.260  -7.745  -3.621
  453   1HD2  ASN  56          HD22      ASN  56  -5.648 -11.560  -5.009
  454   2HD2  ASN  56          HD21      ASN  56  -4.331 -11.136  -4.026
  455    H    ALA  57           HN       ALA  57  -4.228  -5.588  -5.023
  456    HA   ALA  57           HA       ALA  57  -6.023  -5.706  -7.241
  457   1HB   ALA  57           HB2      ALA  57  -5.637  -3.765  -5.549
  458   2HB   ALA  57           HB1      ALA  57  -4.353  -3.259  -6.648
  459   3HB   ALA  57           HB3      ALA  57  -6.020  -3.348  -7.217
  460    H    LEU  58           HN       LEU  58  -2.511  -5.238  -7.113
  461    HA   LEU  58           HA       LEU  58  -2.364  -4.891 -10.055
  462   1HB   LEU  58           HB2      LEU  58  -0.271  -4.946  -7.863
  463   2HB   LEU  58           HB1      LEU  58   0.113  -4.749  -9.566
  464    HG   LEU  58           HG       LEU  58  -1.801  -2.930  -8.087
  465   1HD1  LEU  58          HD13      LEU  58   1.195  -2.703  -8.508
  466   2HD1  LEU  58          HD12      LEU  58   0.187  -1.337  -8.034
  467   3HD1  LEU  58          HD11      LEU  58   0.332  -2.740  -6.975
  468   1HD2  LEU  58          HD23      LEU  58  -0.452  -2.882 -10.796
  469   2HD2  LEU  58          HD22      LEU  58  -2.148  -2.610 -10.406
  470   3HD2  LEU  58          HD21      LEU  58  -0.951  -1.375 -10.031
  471    H    GLU  59           HN       GLU  59  -2.983  -7.456  -8.242
  472    HA   GLU  59           HA       GLU  59  -2.555  -9.764  -8.395
  473   1HB   GLU  59           HB2      GLU  59  -1.791  -8.934 -11.215
  474   2HB   GLU  59           HB1      GLU  59  -2.144 -10.583 -10.694
  475   1HG   GLU  59           HG2      GLU  59  -4.401  -9.716  -9.891
  476   2HG   GLU  59           HG1      GLU  59  -4.039  -8.223 -10.758
  477    H    THR  60           HN       THR  60  -0.325  -7.857  -7.651
  478    HA   THR  60           HA       THR  60   2.002  -9.619  -8.364
  479    HB   THR  60           HB       THR  60   1.982  -7.169  -9.170
  480    HG1  THR  60           HG1      THR  60   4.162  -7.132  -8.902
  481   1HG2  THR  60          HG23      THR  60   1.247  -6.449  -6.730
  482   2HG2  THR  60          HG22      THR  60   2.982  -6.515  -6.417
  483   3HG2  THR  60          HG21      THR  60   2.352  -5.433  -7.659
  484    H    LYS  61           HN       LYS  61   3.812  -8.793  -6.486
  485    HA   LYS  61           HA       LYS  61   2.574  -9.751  -3.953
  486   1HB   LYS  61           HB2      LYS  61   5.537  -9.632  -4.541
  487   2HB   LYS  61           HB1      LYS  61   4.696 -10.675  -3.403
  488   1HG   LYS  61           HG2      LYS  61   5.203 -12.094  -5.204
  489   2HG   LYS  61           HG1      LYS  61   3.509 -11.689  -5.433
  490   1HD   LYS  61           HD2      LYS  61   3.915 -10.570  -7.403
  491   2HD   LYS  61           HD1      LYS  61   5.377  -9.804  -6.790
  492   1HE   LYS  61           HE2      LYS  61   5.645 -11.518  -8.690
  493   2HE   LYS  61           HE1      LYS  61   6.704 -11.695  -7.293
  494   1HZ   LYS  61           HZ3      LYS  61   4.368 -13.070  -6.712
  495   2HZ   LYS  61           HZ2      LYS  61   4.797 -13.509  -8.298
  496   3HZ   LYS  61           HZ1      LYS  61   5.903 -13.723  -7.026
  497    HA   PRO  62           HA       PRO  62   3.241  -5.761  -2.135
  498   1HB   PRO  62           HB2      PRO  62   4.203  -6.621   0.431
  499   2HB   PRO  62           HB1      PRO  62   2.544  -6.198  -0.004
  500   1HG   PRO  62           HG2      PRO  62   3.673  -8.861   0.460
  501   2HG   PRO  62           HG1      PRO  62   1.976  -8.397   0.276
  502   1HD   PRO  62           HD2      PRO  62   3.570  -9.787  -1.640
  503   2HD   PRO  62           HD1      PRO  62   1.946  -9.119  -1.894
  504    H    GLU  63           HN       GLU  63   5.807  -8.128  -2.216
  505    HA   GLU  63           HA       GLU  63   7.965  -6.523  -1.268
  506   1HB   GLU  63           HB2      GLU  63   9.378  -8.186  -2.091
  507   2HB   GLU  63           HB1      GLU  63   7.865  -9.069  -1.918
  508   1HG   GLU  63           HG2      GLU  63   7.470  -8.322  -4.416
  509   2HG   GLU  63           HG1      GLU  63   9.216  -8.089  -4.431
  510    H    VAL  64           HN       VAL  64   6.016  -6.108  -4.001
  511    HA   VAL  64           HA       VAL  64   8.114  -4.763  -5.610
  512    HB   VAL  64           HB       VAL  64   5.143  -4.983  -6.149
  513   1HG1  VAL  64          HG11      VAL  64   7.558  -4.257  -7.822
  514   2HG1  VAL  64          HG13      VAL  64   6.032  -4.770  -8.548
  515   3HG1  VAL  64          HG12      VAL  64   6.095  -3.314  -7.558
  516   1HG2  VAL  64          HG21      VAL  64   7.445  -6.796  -6.895
  517   2HG2  VAL  64          HG23      VAL  64   6.057  -7.206  -5.893
  518   3HG2  VAL  64          HG22      VAL  64   5.837  -6.897  -7.614
  519    H    ILE  65           HN       ILE  65   5.240  -3.950  -3.690
  520    HA   ILE  65           HA       ILE  65   5.566  -1.088  -4.363
  521    HB   ILE  65           HB       ILE  65   3.640  -2.379  -2.416
  522   1HG1  ILE  65          HG12      ILE  65   2.064  -1.627  -4.491
  523   2HG1  ILE  65          HG11      ILE  65   3.549  -1.930  -5.393
  524   1HG2  ILE  65          HG21      ILE  65   3.821   0.374  -3.654
  525   2HG2  ILE  65          HG23      ILE  65   2.434  -0.196  -2.727
  526   3HG2  ILE  65          HG22      ILE  65   4.003  -0.028  -1.945
  527   1HD1  ILE  65          HD12      ILE  65   2.274  -3.920  -3.484
  528   2HD1  ILE  65          HD11      ILE  65   2.041  -3.932  -5.230
  529   3HD1  ILE  65          HD13      ILE  65   3.642  -4.214  -4.551
  530    H    TRP  66           HN       TRP  66   6.256  -3.282  -1.651
  531    HA   TRP  66           HA       TRP  66   7.635  -0.986  -0.274
  532   1HB   TRP  66           HB2      TRP  66   5.985  -3.210   0.957
  533   2HB   TRP  66           HB1      TRP  66   7.051  -2.154   1.890
  534    HD1  TRP  66           HD1      TRP  66   6.491   0.521   1.788
  535    HE1  TRP  66           HE1      TRP  66   4.235   1.737   1.506
  536    HE3  TRP  66           HE3      TRP  66   3.649  -3.323  -0.055
  537    HZ2  TRP  66           HZ2      TRP  66   1.564   1.158   0.606
  538    HZ3  TRP  66           HZ3      TRP  66   1.261  -2.956  -0.627
  539    HH2  TRP  66           HH2      TRP  66   0.224  -0.733  -0.296
  540    HA   PRO  67           HA       PRO  67  10.605  -4.486  -1.054
  541   1HB   PRO  67           HB2      PRO  67  12.615  -2.692  -1.977
  542   2HB   PRO  67           HB1      PRO  67  11.590  -3.723  -2.989
  543   1HG   PRO  67           HG2      PRO  67  11.457  -0.812  -2.627
  544   2HG   PRO  67           HG1      PRO  67  10.640  -1.810  -3.836
  545   1HD   PRO  67           HD2      PRO  67   9.471  -0.591  -1.523
  546   2HD   PRO  67           HD1      PRO  67   8.684  -1.700  -2.662
  547    H    SER  68           HN       SER  68  10.454  -1.521   0.613
  548    HA   SER  68           HA       SER  68  12.715  -0.953   1.949
  549   1HB   SER  68           HB2      SER  68  11.418  -0.349   3.888
  550   2HB   SER  68           HB1      SER  68  10.444  -0.043   2.450
  551    HG   SER  68           HG       SER  68   9.061  -1.246   3.520
  552    H    ARG  69           HN       ARG  69  10.653  -3.364   3.629
  553    HA   ARG  69           HA       ARG  69  13.162  -4.497   4.772
  554   1HB   ARG  69           HB2      ARG  69  10.233  -4.742   5.491
  555   2HB   ARG  69           HB1      ARG  69  11.448  -5.812   6.195
  556   1HG   ARG  69           HG2      ARG  69  12.715  -3.814   6.975
  557   2HG   ARG  69           HG1      ARG  69  11.438  -2.781   6.335
  558   1HD   ARG  69           HD2      ARG  69   9.983  -4.532   7.903
  559   2HD   ARG  69           HD1      ARG  69  11.470  -4.386   8.833
  560    HE   ARG  69           HE       ARG  69   9.414  -2.470   8.789
  561   1HH1  ARG  69          HH21      ARG  69  12.813  -2.579   8.170
  562   2HH1  ARG  69          HH22      ARG  69  13.046  -0.888   8.442
  563   1HH2  ARG  69          HH11      ARG  69   9.712  -0.277   9.192
  564   2HH2  ARG  69          HH12      ARG  69  11.290   0.419   9.028
  565    H    TYR  70           HN       TYR  70  11.274  -5.054   2.103
  566    HA   TYR  70           HA       TYR  70  11.576  -8.037   2.228
  567   1HB   TYR  70           HB2      TYR  70   9.863  -6.194   0.540
  568   2HB   TYR  70           HB1      TYR  70  10.117  -7.882   0.107
  569    HD1  TYR  70           HD2      TYR  70   9.860  -9.590   2.213
  570    HD2  TYR  70           HD1      TYR  70   7.982  -5.730   1.824
  571    HE1  TYR  70           HE2      TYR  70   8.115 -10.273   3.845
  572    HE2  TYR  70           HE1      TYR  70   6.233  -6.412   3.453
  573    HH   TYR  70           HH       TYR  70   6.404  -9.539   5.115
  574    H    GLN  71           HN       GLN  71  13.405  -8.761   1.248
  575    HA   GLN  71           HA       GLN  71  14.136  -7.795  -1.408
  576   1HB   GLN  71           HB2      GLN  71  16.279  -6.891  -0.860
  577   2HB   GLN  71           HB1      GLN  71  15.127  -6.129   0.230
  578   1HG   GLN  71           HG2      GLN  71  15.722  -8.039   1.880
  579   2HG   GLN  71           HG1      GLN  71  17.120  -8.313   0.838
  580   1HE2  GLN  71          HE22      GLN  71  18.214  -5.862   3.417
  581   2HE2  GLN  71          HE21      GLN  71  17.705  -7.483   3.417
  582    H    ALA  72           HN       ALA  72  13.527 -10.324   0.245
  583    HA   ALA  72           HA       ALA  72  15.420 -12.057  -1.134
  584   1HB   ALA  72           HB1      ALA  72  15.579 -11.755   1.876
  585   2HB   ALA  72           HB3      ALA  72  16.225 -13.152   1.015
  586   3HB   ALA  72           HB2      ALA  72  16.887 -11.544   0.713
  587    H    GLY  73           HN       GLY  73  13.267 -12.748  -1.879
  588   1HA   GLY  73           HA2      GLY  73  11.464 -14.250  -1.830
  589   2HA   GLY  73           HA1      GLY  73  12.348 -15.095  -0.559
  590    H    GLU  74           HN       GLU  74   9.454 -14.576  -0.732
  591    HA   GLU  74           HA       GLU  74   8.961 -12.598   1.425
  592   1HB   GLU  74           HB2      GLU  74   6.868 -14.385   0.178
  593   2HB   GLU  74           HB1      GLU  74   6.687 -12.761   0.849
  594   1HG   GLU  74           HG2      GLU  74   8.200 -11.942  -1.020
  595   2HG   GLU  74           HG1      GLU  74   8.034 -13.544  -1.743
   
  No H/Q in entry =         595
  Start of MODEL           7
 Raw file had  612 H/Q atoms
  Start of MODEL    7
    1   1H    CYS   1           HT3      CYS   1  14.040  15.850  11.985
    2   2H    CYS   1           HT2      CYS   1  13.241  14.588  12.798
    3   3H    CYS   1           HT1      CYS   1  14.819  14.361  12.212
    4    HA   CYS   1           HA       CYS   1  14.164  14.079  10.069
    5   1HB   CYS   1           HB2      CYS   1  11.740  13.324  11.727
    6   2HB   CYS   1           HB1      CYS   1  12.000  12.808  10.060
    7    HG   CYS   1           HG       CYS   1  14.248  11.624  10.936
    8    H    SER   2           HN       SER   2  12.351  14.429   8.389
    9    HA   SER   2           HA       SER   2  10.471  16.587   8.843
   10   1HB   SER   2           HB2      SER   2  12.532  17.917   8.759
   11   2HB   SER   2           HB1      SER   2  12.969  17.169   7.227
   12    HG   SER   2           HG       SER   2  11.826  19.300   7.221
   13    H    ASN   3           HN       ASN   3  12.471  15.079   6.293
   14    HA   ASN   3           HA       ASN   3  10.477  15.278   4.241
   15   1HB   ASN   3           HB2      ASN   3  12.904  13.513   4.612
   16   2HB   ASN   3           HB1      ASN   3  11.872  13.388   3.186
   17   1HD2  ASN   3          HD22      ASN   3  14.170  16.763   3.693
   18   2HD2  ASN   3          HD21      ASN   3  13.818  15.790   5.040
   19    H    GLU   4           HN       GLU   4   9.159  13.553   3.369
   20    HA   GLU   4           HA       GLU   4   8.325  11.547   5.435
   21   1HB   GLU   4           HB2      GLU   4   6.177  11.493   4.312
   22   2HB   GLU   4           HB1      GLU   4   6.596  13.178   4.623
   23   1HG   GLU   4           HG2      GLU   4   7.587  13.214   2.262
   24   2HG   GLU   4           HG1      GLU   4   6.765  11.674   2.005
   25    H    LYS   5           HN       LYS   5   9.500  11.984   2.164
   26    HA   LYS   5           HA       LYS   5   8.954   9.377   1.140
   27   1HB   LYS   5           HB2      LYS   5  11.450  10.960   0.491
   28   2HB   LYS   5           HB1      LYS   5  10.542   9.873  -0.561
   29   1HG   LYS   5           HG2      LYS   5   8.575  11.505  -0.270
   30   2HG   LYS   5           HG1      LYS   5   9.758  12.631   0.399
   31   1HD   LYS   5           HD2      LYS   5  11.120  12.311  -1.704
   32   2HD   LYS   5           HD1      LYS   5   9.764  11.404  -2.372
   33   1HE   LYS   5           HE2      LYS   5   9.588  14.252  -1.343
   34   2HE   LYS   5           HE1      LYS   5   9.735  13.811  -3.042
   35   1HZ   LYS   5           HZ2      LYS   5   7.673  12.280  -2.032
   36   2HZ   LYS   5           HZ1      LYS   5   7.427  13.840  -1.401
   37   3HZ   LYS   5           HZ3      LYS   5   7.543  13.613  -3.078
   38    H    ALA   6           HN       ALA   6  10.299   7.479   1.121
   39    HA   ALA   6           HA       ALA   6  12.832   7.376   2.483
   40   1HB   ALA   6           HB2      ALA   6  10.378   6.484   4.002
   41   2HB   ALA   6           HB1      ALA   6  12.005   5.932   4.404
   42   3HB   ALA   6           HB3      ALA   6  11.602   7.647   4.513
   43    H    ARG   7           HN       ARG   7   9.929   5.487   1.631
   44    HA   ARG   7           HA       ARG   7  11.636   3.125   1.030
   45   1HB   ARG   7           HB2      ARG   7   8.646   3.282   0.623
   46   2HB   ARG   7           HB1      ARG   7   9.641   1.866   0.977
   47   1HG   ARG   7           HG2      ARG   7   9.023   4.156   2.857
   48   2HG   ARG   7           HG1      ARG   7   8.433   2.502   2.993
   49   1HD   ARG   7           HD2      ARG   7  10.946   1.847   3.030
   50   2HD   ARG   7           HD1      ARG   7  11.240   3.539   3.409
   51    HE   ARG   7           HE       ARG   7  10.388   1.526   5.243
   52   1HH1  ARG   7          HH21      ARG   7   9.605   4.770   4.341
   53   2HH1  ARG   7          HH22      ARG   7   8.728   5.089   5.797
   54   1HH2  ARG   7          HH11      ARG   7   9.289   1.950   7.143
   55   2HH2  ARG   7          HH12      ARG   7   8.561   3.504   7.384
   56    H    ASP   8           HN       ASP   8  10.317   1.992  -1.149
   57    HA   ASP   8           HA       ASP   8  11.296   3.690  -3.271
   58   1HB   ASP   8           HB2      ASP   8  10.018   0.984  -3.267
   59   2HB   ASP   8           HB1      ASP   8  10.190   1.877  -4.781
   60    H    TRP   9           HN       TRP   9   8.106   2.147  -3.156
   61    HA   TRP   9           HA       TRP   9   6.899   4.230  -4.746
   62   1HB   TRP   9           HB2      TRP   9   5.596   2.120  -2.994
   63   2HB   TRP   9           HB1      TRP   9   4.749   3.146  -4.133
   64    HD1  TRP   9           HD1      TRP   9   8.020   1.077  -4.569
   65    HE1  TRP   9           HE1      TRP   9   7.764  -0.371  -6.669
   66    HE3  TRP   9           HE3      TRP   9   3.217   2.262  -5.873
   67    HZ2  TRP   9           HZ2      TRP   9   5.787  -0.988  -8.641
   68    HZ3  TRP   9           HZ3      TRP   9   2.162   1.204  -7.864
   69    HH2  TRP   9           HH2      TRP   9   3.446  -0.419  -9.245
   70    H    HIS  10           HN       HIS  10   6.875   6.258  -3.855
   71    HA   HIS  10           HA       HIS  10   6.678   6.891  -1.083
   72   1HB   HIS  10           HB2      HIS  10   5.734   8.567  -3.431
   73   2HB   HIS  10           HB1      HIS  10   6.183   9.158  -1.828
   74    HD1  HIS  10           HD1      HIS  10   8.715   7.256  -1.536
   75    HD2  HIS  10           HD2      HIS  10   7.925   9.757  -4.779
   76    HE1  HIS  10           HE1      HIS  10  10.943   7.718  -2.647
   77    H    ARG  11           HN       ARG  11   4.709   8.180  -0.201
   78    HA   ARG  11           HA       ARG  11   2.455   6.486  -0.032
   79   1HB   ARG  11           HB2      ARG  11   2.406   9.498   0.331
   80   2HB   ARG  11           HB1      ARG  11   1.357   8.307   1.104
   81   1HG   ARG  11           HG2      ARG  11   3.478   7.298   2.118
   82   2HG   ARG  11           HG1      ARG  11   4.310   8.758   1.574
   83   1HD   ARG  11           HD2      ARG  11   3.664   9.264   3.795
   84   2HD   ARG  11           HD1      ARG  11   2.436  10.050   2.806
   85    HE   ARG  11           HE       ARG  11   1.379   7.537   3.306
   86   1HH1  ARG  11          HH21      ARG  11   2.668  10.132   5.174
   87   2HH1  ARG  11          HH22      ARG  11   1.671   9.808   6.553
   88   1HH2  ARG  11          HH11      ARG  11   0.063   7.106   5.093
   89   2HH2  ARG  11          HH12      ARG  11   0.198   8.097   6.508
   90    H    ALA  12           HN       ALA  12   3.281   8.930  -2.393
   91    HA   ALA  12           HA       ALA  12   0.573   8.985  -3.557
   92   1HB   ALA  12           HB2      ALA  12   2.127  10.983  -3.516
   93   2HB   ALA  12           HB1      ALA  12   3.121  10.144  -4.706
   94   3HB   ALA  12           HB3      ALA  12   1.461  10.593  -5.100
   95    H    ASP  13           HN       ASP  13   3.631   7.325  -4.086
   96    HA   ASP  13           HA       ASP  13   3.042   6.465  -6.779
   97   1HB   ASP  13           HB2      ASP  13   4.856   5.407  -4.635
   98   2HB   ASP  13           HB1      ASP  13   4.691   4.586  -6.184
   99    H    VAL  14           HN       VAL  14   1.913   5.654  -3.675
  100    HA   VAL  14           HA       VAL  14   0.955   2.979  -4.361
  101    HB   VAL  14           HB       VAL  14   0.458   4.850  -2.025
  102   1HG1  VAL  14          HG12      VAL  14  -0.724   2.143  -2.660
  103   2HG1  VAL  14          HG11      VAL  14  -0.570   2.715  -0.998
  104   3HG1  VAL  14          HG13      VAL  14  -1.558   3.611  -2.150
  105   1HG2  VAL  14          HG22      VAL  14   2.693   3.649  -2.346
  106   2HG2  VAL  14          HG21      VAL  14   1.875   3.357  -0.811
  107   3HG2  VAL  14          HG23      VAL  14   1.809   2.145  -2.088
  108    H    ILE  15           HN       ILE  15  -0.711   6.028  -3.481
  109    HA   ILE  15           HA       ILE  15  -3.217   5.137  -4.632
  110    HB   ILE  15           HB       ILE  15  -2.348   7.971  -3.974
  111   1HG1  ILE  15          HG12      ILE  15  -3.970   6.162  -2.167
  112   2HG1  ILE  15          HG11      ILE  15  -2.212   6.111  -2.117
  113   1HG2  ILE  15          HG23      ILE  15  -4.399   7.747  -5.381
  114   2HG2  ILE  15          HG22      ILE  15  -5.104   6.700  -4.148
  115   3HG2  ILE  15          HG21      ILE  15  -4.758   8.390  -3.782
  116   1HD1  ILE  15          HD12      ILE  15  -2.204   8.588  -1.738
  117   2HD1  ILE  15          HD11      ILE  15  -3.960   8.528  -1.606
  118   3HD1  ILE  15          HD13      ILE  15  -2.957   7.672  -0.436
  119    H    ALA  16           HN       ALA  16  -0.776   7.544  -5.727
  120    HA   ALA  16           HA       ALA  16  -2.074   8.216  -8.152
  121   1HB   ALA  16           HB1      ALA  16   0.073   9.232  -7.093
  122   2HB   ALA  16           HB3      ALA  16   0.928   7.976  -7.989
  123   3HB   ALA  16           HB2      ALA  16  -0.040   9.171  -8.851
  124    H    GLY  17           HN       GLY  17   0.263   5.620  -7.487
  125   1HA   GLY  17           HA2      GLY  17   0.351   4.603 -10.162
  126   2HA   GLY  17           HA1      GLY  17   0.813   3.711  -8.714
  127    H    LEU  18           HN       LEU  18  -1.398   3.332  -7.307
  128    HA   LEU  18           HA       LEU  18  -2.866   1.365  -8.796
  129   1HB   LEU  18           HB2      LEU  18  -3.513   2.729  -6.165
  130   2HB   LEU  18           HB1      LEU  18  -4.305   1.272  -6.759
  131    HG   LEU  18           HG       LEU  18  -1.301   1.353  -6.486
  132   1HD1  LEU  18          HD12      LEU  18  -2.433   2.005  -4.287
  133   2HD1  LEU  18          HD11      LEU  18  -3.192   0.417  -4.312
  134   3HD1  LEU  18          HD13      LEU  18  -1.438   0.557  -4.235
  135   1HD2  LEU  18          HD23      LEU  18  -3.393  -0.845  -6.379
  136   2HD2  LEU  18          HD22      LEU  18  -2.272  -0.537  -7.699
  137   3HD2  LEU  18          HD21      LEU  18  -1.665  -1.096  -6.146
  138    H    LYS  19           HN       LYS  19  -3.904   4.522  -7.498
  139    HA   LYS  19           HA       LYS  19  -6.495   4.538  -8.614
  140   1HB   LYS  19           HB2      LYS  19  -5.441   6.196  -6.969
  141   2HB   LYS  19           HB1      LYS  19  -4.746   6.993  -8.379
  142   1HG   LYS  19           HG2      LYS  19  -6.945   7.405  -9.305
  143   2HG   LYS  19           HG1      LYS  19  -7.704   6.449  -8.030
  144   1HD   LYS  19           HD2      LYS  19  -6.768   8.044  -6.343
  145   2HD   LYS  19           HD1      LYS  19  -6.171   9.037  -7.672
  146   1HE   LYS  19           HE2      LYS  19  -8.302   9.927  -6.916
  147   2HE   LYS  19           HE1      LYS  19  -8.512   9.226  -8.521
  148   1HZ   LYS  19           HZ1      LYS  19  -9.149   7.123  -7.240
  149   2HZ   LYS  19           HZ3      LYS  19  -9.355   8.150  -5.907
  150   3HZ   LYS  19           HZ2      LYS  19 -10.283   8.385  -7.312
  151    H    LYS  20           HN       LYS  20  -3.469   4.710 -10.196
  152    HA   LYS  20           HA       LYS  20  -4.067   6.308 -12.450
  153   1HB   LYS  20           HB2      LYS  20  -1.805   5.283 -11.898
  154   2HB   LYS  20           HB1      LYS  20  -2.436   3.755 -12.498
  155   1HG   LYS  20           HG2      LYS  20  -1.338   4.646 -14.379
  156   2HG   LYS  20           HG1      LYS  20  -3.025   5.067 -14.659
  157   1HD   LYS  20           HD2      LYS  20  -2.676   7.335 -13.999
  158   2HD   LYS  20           HD1      LYS  20  -1.106   6.968 -13.285
  159   1HE   LYS  20           HE2      LYS  20  -0.140   6.543 -15.456
  160   2HE   LYS  20           HE1      LYS  20  -1.719   6.650 -16.236
  161   1HZ   LYS  20           HZ3      LYS  20  -1.599   8.995 -14.963
  162   2HZ   LYS  20           HZ2      LYS  20   0.046   8.759 -15.323
  163   3HZ   LYS  20           HZ1      LYS  20  -1.107   8.769 -16.571
  164    H    ARG  21           HN       ARG  21  -5.124   3.177 -11.505
  165    HA   ARG  21           HA       ARG  21  -6.396   2.673 -14.150
  166   1HB   ARG  21           HB2      ARG  21  -5.981   1.049 -11.622
  167   2HB   ARG  21           HB1      ARG  21  -7.146   0.545 -12.846
  168   1HG   ARG  21           HG2      ARG  21  -5.485   0.215 -14.476
  169   2HG   ARG  21           HG1      ARG  21  -4.302   1.197 -13.619
  170   1HD   ARG  21           HD2      ARG  21  -4.265  -0.514 -11.798
  171   2HD   ARG  21           HD1      ARG  21  -5.346  -1.528 -12.749
  172    HE   ARG  21           HE       ARG  21  -2.483  -1.312 -13.014
  173   1HH1  ARG  21          HH21      ARG  21  -5.339  -1.466 -14.956
  174   2HH1  ARG  21          HH22      ARG  21  -4.486  -1.946 -16.383
  175   1HH2  ARG  21          HH11      ARG  21  -1.380  -1.961 -14.854
  176   2HH2  ARG  21          HH12      ARG  21  -2.254  -2.234 -16.326
  177    H    LYS  22           HN       LYS  22  -7.822   1.620 -11.194
  178    HA   LYS  22           HA       LYS  22  -9.602   3.921 -10.932
  179   1HB   LYS  22           HB2      LYS  22 -10.627   1.224 -11.884
  180   2HB   LYS  22           HB1      LYS  22 -11.670   2.421 -11.118
  181   1HG   LYS  22           HG2      LYS  22 -10.869   4.074 -12.887
  182   2HG   LYS  22           HG1      LYS  22 -10.145   2.698 -13.719
  183   1HD   LYS  22           HD2      LYS  22 -12.315   1.604 -13.895
  184   2HD   LYS  22           HD1      LYS  22 -13.070   2.886 -12.950
  185   1HE   LYS  22           HE2      LYS  22 -13.469   3.235 -15.355
  186   2HE   LYS  22           HE1      LYS  22 -12.464   4.528 -14.699
  187   1HZ   LYS  22           HZ1      LYS  22 -11.219   2.131 -15.872
  188   2HZ   LYS  22           HZ3      LYS  22 -11.765   3.381 -16.878
  189   3HZ   LYS  22           HZ2      LYS  22 -10.580   3.695 -15.700
  190    H    LEU  23           HN       LEU  23  -7.902   3.250  -9.062
  191    HA   LEU  23           HA       LEU  23  -9.431   1.616  -7.053
  192   1HB   LEU  23           HB2      LEU  23  -6.436   1.930  -7.230
  193   2HB   LEU  23           HB1      LEU  23  -7.319   0.855  -6.153
  194    HG   LEU  23           HG       LEU  23  -7.368   0.649  -9.181
  195   1HD1  LEU  23          HD11      LEU  23  -5.636  -0.664  -7.078
  196   2HD1  LEU  23          HD13      LEU  23  -5.943  -1.446  -8.632
  197   3HD1  LEU  23          HD12      LEU  23  -5.146   0.121  -8.581
  198   1HD2  LEU  23          HD21      LEU  23  -8.413  -1.070  -6.914
  199   2HD2  LEU  23          HD23      LEU  23  -9.329  -0.370  -8.245
  200   3HD2  LEU  23          HD22      LEU  23  -8.212  -1.694  -8.548
  201    H    SER  24           HN       SER  24  -9.340   2.353  -4.902
  202    HA   SER  24           HA       SER  24  -7.894   4.846  -4.275
  203   1HB   SER  24           HB2      SER  24  -9.986   5.915  -3.386
  204   2HB   SER  24           HB1      SER  24  -9.998   5.739  -5.141
  205    HG   SER  24           HG       SER  24 -11.946   5.034  -4.012
  206    H    LEU  25           HN       LEU  25  -7.112   4.608  -2.189
  207    HA   LEU  25           HA       LEU  25  -7.360   2.294  -0.671
  208   1HB   LEU  25           HB2      LEU  25  -7.110   5.115   0.414
  209   2HB   LEU  25           HB1      LEU  25  -6.738   3.644   1.314
  210    HG   LEU  25           HG       LEU  25  -5.402   4.248  -1.332
  211   1HD1  LEU  25          HD11      LEU  25  -5.002   6.165   0.167
  212   2HD1  LEU  25          HD13      LEU  25  -4.457   5.064   1.432
  213   3HD1  LEU  25          HD12      LEU  25  -3.528   5.220  -0.059
  214   1HD2  LEU  25          HD23      LEU  25  -4.778   2.480   1.057
  215   2HD2  LEU  25          HD22      LEU  25  -5.068   1.980  -0.608
  216   3HD2  LEU  25          HD21      LEU  25  -3.590   2.842  -0.192
  217    H    SER  26           HN       SER  26  -9.715   4.823  -1.032
  218    HA   SER  26           HA       SER  26 -11.275   4.085   1.315
  219   1HB   SER  26           HB2      SER  26 -12.928   5.645   0.449
  220   2HB   SER  26           HB1      SER  26 -11.331   6.365   0.295
  221    HG   SER  26           HG       SER  26 -12.685   6.505  -1.612
  222    H    ALA  27           HN       ALA  27 -11.308   3.261  -2.121
  223    HA   ALA  27           HA       ALA  27 -13.837   1.829  -1.963
  224   1HB   ALA  27           HB1      ALA  27 -12.933   2.801  -4.086
  225   2HB   ALA  27           HB3      ALA  27 -11.648   1.594  -4.049
  226   3HB   ALA  27           HB2      ALA  27 -13.328   1.089  -4.226
  227    H    LEU  28           HN       LEU  28 -10.405   0.847  -2.050
  228    HA   LEU  28           HA       LEU  28 -10.876  -1.960  -1.928
  229   1HB   LEU  28           HB2      LEU  28  -8.586  -0.183  -1.076
  230   2HB   LEU  28           HB1      LEU  28  -8.540  -1.921  -0.776
  231    HG   LEU  28           HG       LEU  28  -8.823  -2.387  -3.139
  232   1HD1  LEU  28          HD12      LEU  28  -9.170   0.607  -3.323
  233   2HD1  LEU  28          HD11      LEU  28  -8.718  -0.357  -4.724
  234   3HD1  LEU  28          HD13      LEU  28 -10.250  -0.656  -3.909
  235   1HD2  LEU  28          HD21      LEU  28  -6.710  -0.281  -2.581
  236   2HD2  LEU  28          HD23      LEU  28  -6.529  -2.028  -2.403
  237   3HD2  LEU  28          HD22      LEU  28  -6.720  -1.321  -4.006
  238    H    SER  29           HN       SER  29 -11.049   0.560   0.443
  239    HA   SER  29           HA       SER  29 -10.907  -1.118   2.792
  240   1HB   SER  29           HB2      SER  29 -11.559   0.800   3.999
  241   2HB   SER  29           HB1      SER  29 -10.655   1.438   2.632
  242    HG   SER  29           HG       SER  29 -13.421   1.423   3.125
  243    H    ARG  30           HN       ARG  30 -13.740   0.432   1.196
  244    HA   ARG  30           HA       ARG  30 -15.622  -1.053   2.787
  245   1HB   ARG  30           HB2      ARG  30 -17.328  -0.089   1.399
  246   2HB   ARG  30           HB1      ARG  30 -16.084   1.144   1.605
  247   1HG   ARG  30           HG2      ARG  30 -15.078   0.299  -0.581
  248   2HG   ARG  30           HG1      ARG  30 -16.569  -0.614  -0.806
  249   1HD   ARG  30           HD2      ARG  30 -17.822   1.573  -0.494
  250   2HD   ARG  30           HD1      ARG  30 -16.260   2.389  -0.579
  251    HE   ARG  30           HE       ARG  30 -16.320   0.789  -2.851
  252   1HH1  ARG  30          HH21      ARG  30 -18.332   3.196  -1.414
  253   2HH1  ARG  30          HH22      ARG  30 -18.950   3.767  -2.928
  254   1HH2  ARG  30          HH11      ARG  30 -17.117   1.525  -4.832
  255   2HH2  ARG  30          HH12      ARG  30 -18.264   2.823  -4.860
  256    H    GLN  31           HN       GLN  31 -13.808  -1.875  -0.026
  257    HA   GLN  31           HA       GLN  31 -15.615  -3.799  -1.159
  258   1HB   GLN  31           HB2      GLN  31 -12.638  -3.356  -1.309
  259   2HB   GLN  31           HB1      GLN  31 -13.367  -4.767  -2.068
  260   1HG   GLN  31           HG2      GLN  31 -14.667  -3.457  -3.547
  261   2HG   GLN  31           HG1      GLN  31 -14.431  -1.991  -2.591
  262   1HE2  GLN  31          HE22      GLN  31 -10.896  -3.129  -4.272
  263   2HE2  GLN  31          HE21      GLN  31 -11.704  -4.145  -3.180
  264    H    PHE  32           HN       PHE  32 -13.154  -4.025   1.393
  265    HA   PHE  32           HA       PHE  32 -13.786  -6.935   1.721
  266   1HB   PHE  32           HB2      PHE  32 -11.490  -5.196   2.656
  267   2HB   PHE  32           HB1      PHE  32 -11.759  -6.825   3.282
  268    HD1  PHE  32           HD1      PHE  32 -11.002  -4.841   0.230
  269    HD2  PHE  32           HD2      PHE  32 -11.385  -8.785   1.926
  270    HE1  PHE  32           HE1      PHE  32  -9.970  -5.821  -1.812
  271    HE2  PHE  32           HE2      PHE  32 -10.346  -9.763  -0.112
  272    HZ   PHE  32           HZ       PHE  32  -9.642  -8.282  -1.983
  273    H    GLY  33           HN       GLY  33 -14.156  -3.825   3.283
  274   1HA   GLY  33           HA2      GLY  33 -16.124  -3.840   4.903
  275   2HA   GLY  33           HA1      GLY  33 -15.314  -5.190   5.692
  276    H    TYR  34           HN       TYR  34 -12.685  -4.328   5.740
  277    HA   TYR  34           HA       TYR  34 -12.523  -2.783   8.034
  278   1HB   TYR  34           HB2      TYR  34 -10.458  -2.539   5.847
  279   2HB   TYR  34           HB1      TYR  34 -10.225  -2.498   7.596
  280    HD1  TYR  34           HD2      TYR  34 -11.390  -4.698   8.801
  281    HD2  TYR  34           HD1      TYR  34  -9.726  -4.519   4.829
  282    HE1  TYR  34           HE2      TYR  34 -11.053  -7.166   8.826
  283    HE2  TYR  34           HE1      TYR  34  -9.399  -6.975   4.858
  284    HH   TYR  34           HH       TYR  34  -9.178  -8.786   6.413
  285    H    ALA  35           HN       ALA  35 -12.947  -0.699   8.497
  286    HA   ALA  35           HA       ALA  35 -14.073   1.143   6.715
  287   1HB   ALA  35           HB1      ALA  35 -13.170   1.122   9.465
  288   2HB   ALA  35           HB3      ALA  35 -12.758   2.673   8.735
  289   3HB   ALA  35           HB2      ALA  35 -14.432   2.117   8.744
  290    HA   PRO  36           HA       PRO  36 -10.904   3.026   4.325
  291   1HB   PRO  36           HB2      PRO  36 -11.326   5.783   5.096
  292   2HB   PRO  36           HB1      PRO  36 -11.897   4.966   3.633
  293   1HG   PRO  36           HG2      PRO  36 -13.450   5.745   5.977
  294   2HG   PRO  36           HG1      PRO  36 -14.035   5.048   4.459
  295   1HD   PRO  36           HD2      PRO  36 -13.887   3.735   6.997
  296   2HD   PRO  36           HD1      PRO  36 -14.296   2.998   5.434
  297    H    THR  37           HN       THR  37 -11.056   3.868   7.736
  298    HA   THR  37           HA       THR  37  -8.500   5.161   7.916
  299    HB   THR  37           HB       THR  37  -8.654   4.548  10.355
  300    HG1  THR  37           HG1      THR  37  -9.974   3.029  10.892
  301   1HG2  THR  37          HG21      THR  37  -9.691   6.602   9.454
  302   2HG2  THR  37          HG23      THR  37 -11.168   5.700   9.111
  303   3HG2  THR  37          HG22      THR  37 -10.640   5.930  10.780
  304    H    THR  38           HN       THR  38  -9.478   1.763   8.274
  305    HA   THR  38           HA       THR  38  -7.025   0.705   9.169
  306    HB   THR  38           HB       THR  38  -9.157  -0.471   7.379
  307    HG1  THR  38           HG1      THR  38  -9.189  -1.705   9.566
  308   1HG2  THR  38          HG22      THR  38  -6.592  -1.657   8.400
  309   2HG2  THR  38          HG21      THR  38  -8.019  -2.680   8.256
  310   3HG2  THR  38          HG23      THR  38  -7.368  -1.870   6.831
  311    H    LEU  39           HN       LEU  39  -8.129   0.736   5.749
  312    HA   LEU  39           HA       LEU  39  -5.762  -0.170   4.613
  313   1HB   LEU  39           HB2      LEU  39  -8.166   0.960   3.674
  314   2HB   LEU  39           HB1      LEU  39  -6.926   2.001   2.999
  315    HG   LEU  39           HG       LEU  39  -7.258   0.327   1.369
  316   1HD1  LEU  39          HD13      LEU  39  -4.774   0.592   2.459
  317   2HD1  LEU  39          HD12      LEU  39  -5.005  -1.147   2.669
  318   3HD1  LEU  39          HD11      LEU  39  -5.112  -0.428   1.063
  319   1HD2  LEU  39          HD21      LEU  39  -7.362  -1.585   3.708
  320   2HD2  LEU  39          HD23      LEU  39  -8.600  -1.265   2.495
  321   3HD2  LEU  39          HD22      LEU  39  -7.144  -2.155   2.055
  322    H    ALA  40           HN       ALA  40  -6.606   3.282   5.071
  323    HA   ALA  40           HA       ALA  40  -4.116   4.353   4.280
  324   1HB   ALA  40           HB2      ALA  40  -6.044   5.367   6.387
  325   2HB   ALA  40           HB1      ALA  40  -4.731   6.313   5.690
  326   3HB   ALA  40           HB3      ALA  40  -6.063   5.771   4.671
  327    H    ASN  41           HN       ASN  41  -5.185   3.702   7.632
  328    HA   ASN  41           HA       ASN  41  -2.737   4.257   8.907
  329   1HB   ASN  41           HB2      ASN  41  -4.957   2.331   9.631
  330   2HB   ASN  41           HB1      ASN  41  -3.593   2.676  10.701
  331   1HD2  ASN  41          HD22      ASN  41  -4.632   6.263  10.816
  332   2HD2  ASN  41          HD21      ASN  41  -3.241   5.432  10.312
  333    H    ALA  42           HN       ALA  42  -3.278   1.807   6.653
  334    HA   ALA  42           HA       ALA  42  -1.629  -0.255   7.853
  335   1HB   ALA  42           HB1      ALA  42  -3.327  -0.510   5.915
  336   2HB   ALA  42           HB3      ALA  42  -2.035   0.103   4.879
  337   3HB   ALA  42           HB2      ALA  42  -1.806  -1.394   5.783
  338    H    LEU  43           HN       LEU  43  -0.973   2.735   6.323
  339    HA   LEU  43           HA       LEU  43   1.740   1.993   5.452
  340   1HB   LEU  43           HB2      LEU  43   0.589   4.784   5.669
  341   2HB   LEU  43           HB1      LEU  43   1.929   4.248   4.658
  342    HG   LEU  43           HG       LEU  43  -0.923   3.263   4.338
  343   1HD1  LEU  43          HD11      LEU  43   0.599   5.429   2.856
  344   2HD1  LEU  43          HD13      LEU  43  -0.955   4.765   2.347
  345   3HD1  LEU  43          HD12      LEU  43  -0.832   5.656   3.863
  346   1HD2  LEU  43          HD21      LEU  43   1.621   2.991   2.709
  347   2HD2  LEU  43          HD23      LEU  43   0.643   1.698   3.402
  348   3HD2  LEU  43          HD22      LEU  43   0.024   2.644   2.050
  349    H    GLU  44           HN       GLU  44   0.221   3.089   8.333
  350    HA   GLU  44           HA       GLU  44   2.756   4.243   9.392
  351   1HB   GLU  44           HB2      GLU  44  -0.088   4.242  10.418
  352   2HB   GLU  44           HB1      GLU  44   1.276   4.876  11.340
  353   1HG   GLU  44           HG2      GLU  44   1.783   6.471   9.557
  354   2HG   GLU  44           HG1      GLU  44   0.488   5.801   8.563
  355    H    ARG  45           HN       ARG  45   0.229   2.222  10.934
  356    HA   ARG  45           HA       ARG  45   2.184   1.036  12.710
  357   1HB   ARG  45           HB2      ARG  45  -0.123   1.272  13.444
  358   2HB   ARG  45           HB1      ARG  45  -0.689   0.287  12.093
  359   1HG   ARG  45           HG2      ARG  45   0.378  -1.685  12.972
  360   2HG   ARG  45           HG1      ARG  45   1.250  -0.744  14.180
  361   1HD   ARG  45           HD2      ARG  45  -1.658  -0.346  14.383
  362   2HD   ARG  45           HD1      ARG  45  -1.195  -2.036  14.589
  363    HE   ARG  45           HE       ARG  45   0.598  -0.690  16.198
  364   1HH1  ARG  45          HH21      ARG  45  -2.827  -0.732  15.782
  365   2HH1  ARG  45          HH22      ARG  45  -3.167  -0.385  17.445
  366   1HH2  ARG  45          HH11      ARG  45   0.169  -0.240  18.378
  367   2HH2  ARG  45          HH12      ARG  45  -1.473  -0.107  18.913
  368    H    HIS  46           HN       HIS  46   2.830  -1.191  12.768
  369    HA   HIS  46           HA       HIS  46   3.473  -2.307  10.177
  370   1HB   HIS  46           HB2      HIS  46   4.375  -4.210  11.499
  371   2HB   HIS  46           HB1      HIS  46   4.944  -2.656  12.113
  372    HD1  HIS  46           HD1      HIS  46   2.712  -1.721  13.874
  373    HD2  HIS  46           HD2      HIS  46   3.874  -5.720  13.756
  374    HE1  HIS  46           HE1      HIS  46   1.932  -2.755  16.050
  375    H    TRP  47           HN       TRP  47   1.981  -3.300   8.937
  376    HA   TRP  47           HA       TRP  47   0.332  -5.460  10.000
  377   1HB   TRP  47           HB2      TRP  47  -1.015  -3.467  10.625
  378   2HB   TRP  47           HB1      TRP  47  -0.999  -2.938   8.944
  379    HD1  TRP  47           HD1      TRP  47  -1.724  -6.423  10.503
  380    HE1  TRP  47           HE1      TRP  47  -3.956  -7.269   9.535
  381    HE3  TRP  47           HE3      TRP  47  -3.020  -2.388   7.648
  382    HZ2  TRP  47           HZ2      TRP  47  -6.037  -6.352   7.777
  383    HZ3  TRP  47           HZ3      TRP  47  -5.133  -2.393   6.342
  384    HH2  TRP  47           HH2      TRP  47  -6.643  -4.370   6.407
  385    HA   PRO  48           HA       PRO  48   1.978  -5.509   5.615
  386   1HB   PRO  48           HB2      PRO  48   2.448  -8.363   6.168
  387   2HB   PRO  48           HB1      PRO  48   3.605  -7.118   5.670
  388   1HG   PRO  48           HG2      PRO  48   3.440  -8.249   8.246
  389   2HG   PRO  48           HG1      PRO  48   4.288  -6.747   7.837
  390   1HD   PRO  48           HD2      PRO  48   1.756  -7.093   9.298
  391   2HD   PRO  48           HD1      PRO  48   2.786  -5.645   9.177
  392    H    LYS  49           HN       LYS  49  -0.547  -7.210   7.309
  393    HA   LYS  49           HA       LYS  49  -1.479  -8.739   5.033
  394   1HB   LYS  49           HB2      LYS  49  -2.155  -9.299   7.348
  395   2HB   LYS  49           HB1      LYS  49  -3.018  -7.769   7.465
  396   1HG   LYS  49           HG2      LYS  49  -4.583  -9.576   6.941
  397   2HG   LYS  49           HG1      LYS  49  -4.479  -8.461   5.581
  398   1HD   LYS  49           HD2      LYS  49  -3.292  -9.970   4.251
  399   2HD   LYS  49           HD1      LYS  49  -2.644 -10.849   5.636
  400   1HE   LYS  49           HE2      LYS  49  -5.581 -10.865   4.887
  401   2HE   LYS  49           HE1      LYS  49  -4.433 -12.083   4.331
  402   1HZ   LYS  49           HZ1      LYS  49  -3.879 -12.464   6.714
  403   2HZ   LYS  49           HZ3      LYS  49  -5.180 -11.460   7.132
  404   3HZ   LYS  49           HZ2      LYS  49  -5.463 -12.904   6.285
  405    H    GLY  50           HN       GLY  50  -1.783  -5.424   6.053
  406   1HA   GLY  50           HA2      GLY  50  -4.073  -4.768   4.374
  407   2HA   GLY  50           HA1      GLY  50  -2.965  -3.607   5.116
  408    H    GLU  51           HN       GLU  51  -0.608  -5.033   3.947
  409    HA   GLU  51           HA       GLU  51  -0.480  -3.561   1.454
  410   1HB   GLU  51           HB2      GLU  51   1.385  -5.779   2.340
  411   2HB   GLU  51           HB1      GLU  51   1.739  -4.453   1.240
  412   1HG   GLU  51           HG2      GLU  51   0.983  -3.993   4.130
  413   2HG   GLU  51           HG1      GLU  51   2.650  -4.203   3.604
  414    H    GLN  52           HN       GLN  52  -1.171  -6.871   2.402
  415    HA   GLN  52           HA       GLN  52  -0.937  -8.108  -0.157
  416   1HB   GLN  52           HB2      GLN  52  -2.523  -8.717   2.337
  417   2HB   GLN  52           HB1      GLN  52  -2.792  -9.670   0.877
  418   1HG   GLN  52           HG2      GLN  52  -0.010  -9.219   1.972
  419   2HG   GLN  52           HG1      GLN  52  -1.024 -10.543   2.547
  420   1HE2  GLN  52          HE22      GLN  52   1.042 -11.277  -0.698
  421   2HE2  GLN  52          HE21      GLN  52   1.483 -10.253   0.582
  422    H    ILE  53           HN       ILE  53  -3.711  -6.509   1.445
  423    HA   ILE  53           HA       ILE  53  -5.643  -6.978  -0.579
  424    HB   ILE  53           HB       ILE  53  -5.350  -4.443   1.063
  425   1HG1  ILE  53          HG12      ILE  53  -6.868  -6.991   1.729
  426   2HG1  ILE  53          HG11      ILE  53  -5.297  -6.572   2.415
  427   1HG2  ILE  53          HG22      ILE  53  -6.987  -4.339  -0.801
  428   2HG2  ILE  53          HG21      ILE  53  -7.773  -5.788  -0.174
  429   3HG2  ILE  53          HG23      ILE  53  -7.787  -4.297   0.767
  430   1HD1  ILE  53          HD11      ILE  53  -6.488  -4.324   3.087
  431   2HD1  ILE  53          HD13      ILE  53  -7.969  -5.257   2.869
  432   3HD1  ILE  53          HD12      ILE  53  -6.772  -5.772   4.051
  433    H    ILE  54           HN       ILE  54  -3.379  -4.227  -0.234
  434    HA   ILE  54           HA       ILE  54  -4.127  -2.897  -2.638
  435    HB   ILE  54           HB       ILE  54  -1.596  -2.947  -0.982
  436   1HG1  ILE  54          HG12      ILE  54  -3.587  -0.713  -1.422
  437   2HG1  ILE  54          HG11      ILE  54  -3.843  -1.942  -0.190
  438   1HG2  ILE  54          HG22      ILE  54  -2.185  -1.526  -3.568
  439   2HG2  ILE  54          HG21      ILE  54  -1.162  -0.747  -2.364
  440   3HG2  ILE  54          HG23      ILE  54  -0.696  -2.302  -3.044
  441   1HD1  ILE  54          HD12      ILE  54  -1.446  -1.323   0.623
  442   2HD1  ILE  54          HD11      ILE  54  -1.666   0.146  -0.327
  443   3HD1  ILE  54          HD13      ILE  54  -2.767  -0.221   0.996
  444    H    ALA  55           HN       ALA  55  -1.403  -5.151  -2.020
  445    HA   ALA  55           HA       ALA  55  -0.425  -5.193  -4.687
  446   1HB   ALA  55           HB1      ALA  55   0.781  -6.154  -2.738
  447   2HB   ALA  55           HB3      ALA  55  -0.407  -7.455  -2.665
  448   3HB   ALA  55           HB2      ALA  55   0.654  -7.306  -4.067
  449    H    ASN  56           HN       ASN  56  -3.001  -7.051  -3.130
  450    HA   ASN  56           HA       ASN  56  -3.457  -8.945  -5.181
  451   1HB   ASN  56           HB2      ASN  56  -5.305  -7.627  -3.185
  452   2HB   ASN  56           HB1      ASN  56  -5.877  -8.846  -4.320
  453   1HD2  ASN  56          HD22      ASN  56  -4.829 -10.673  -1.255
  454   2HD2  ASN  56          HD21      ASN  56  -6.034  -9.545  -1.650
  455    H    ALA  57           HN       ALA  57  -4.368  -5.554  -4.923
  456    HA   ALA  57           HA       ALA  57  -6.259  -5.522  -7.068
  457   1HB   ALA  57           HB2      ALA  57  -5.786  -3.696  -5.313
  458   2HB   ALA  57           HB1      ALA  57  -4.457  -3.206  -6.362
  459   3HB   ALA  57           HB3      ALA  57  -6.115  -3.156  -6.959
  460    H    LEU  58           HN       LEU  58  -2.733  -5.107  -7.022
  461    HA   LEU  58           HA       LEU  58  -2.691  -4.719  -9.959
  462   1HB   LEU  58           HB2      LEU  58  -0.487  -4.839  -7.881
  463   2HB   LEU  58           HB1      LEU  58  -0.230  -4.507  -9.586
  464    HG   LEU  58           HG       LEU  58  -2.041  -2.848  -7.811
  465   1HD1  LEU  58          HD13      LEU  58   0.902  -2.585  -8.480
  466   2HD1  LEU  58          HD12      LEU  58  -0.055  -1.193  -7.974
  467   3HD1  LEU  58          HD11      LEU  58   0.137  -2.568  -6.892
  468   1HD2  LEU  58          HD23      LEU  58  -1.034  -2.634 -10.655
  469   2HD2  LEU  58          HD22      LEU  58  -2.668  -2.404 -10.035
  470   3HD2  LEU  58          HD21      LEU  58  -1.447  -1.169  -9.766
  471    H    GLU  59           HN       GLU  59  -3.183  -7.338  -8.152
  472    HA   GLU  59           HA       GLU  59  -2.693  -9.625  -8.373
  473   1HB   GLU  59           HB2      GLU  59  -2.065  -8.733 -11.201
  474   2HB   GLU  59           HB1      GLU  59  -2.317 -10.400 -10.683
  475   1HG   GLU  59           HG2      GLU  59  -4.460  -9.875 -11.406
  476   2HG   GLU  59           HG1      GLU  59  -4.598  -9.430  -9.714
  477    H    THR  60           HN       THR  60  -0.520  -7.637  -7.689
  478    HA   THR  60           HA       THR  60   1.866  -9.237  -8.568
  479    HB   THR  60           HB       THR  60   1.781  -6.754  -9.136
  480    HG1  THR  60           HG1      THR  60   3.727  -8.247  -8.036
  481   1HG2  THR  60          HG23      THR  60   0.842  -6.325  -6.666
  482   2HG2  THR  60          HG22      THR  60   2.561  -6.202  -6.300
  483   3HG2  THR  60          HG21      THR  60   1.837  -5.123  -7.489
  484    H    LYS  61           HN       LYS  61   3.603  -8.286  -6.520
  485    HA   LYS  61           HA       LYS  61   2.388  -9.560  -4.096
  486   1HB   LYS  61           HB2      LYS  61   5.347  -9.528  -4.658
  487   2HB   LYS  61           HB1      LYS  61   4.433 -10.648  -3.654
  488   1HG   LYS  61           HG2      LYS  61   4.686 -12.014  -5.497
  489   2HG   LYS  61           HG1      LYS  61   3.236 -11.164  -6.028
  490   1HD   LYS  61           HD2      LYS  61   4.917  -9.430  -7.042
  491   2HD   LYS  61           HD1      LYS  61   6.101 -10.724  -6.866
  492   1HE   LYS  61           HE2      LYS  61   4.665 -12.219  -8.206
  493   2HE   LYS  61           HE1      LYS  61   3.488 -10.919  -8.391
  494   1HZ   LYS  61           HZ3      LYS  61   5.554  -9.631  -9.263
  495   2HZ   LYS  61           HZ2      LYS  61   6.168 -11.186  -9.558
  496   3HZ   LYS  61           HZ1      LYS  61   4.717 -10.691 -10.289
  497    HA   PRO  62           HA       PRO  62   3.197  -5.734  -2.000
  498   1HB   PRO  62           HB2      PRO  62   4.072  -6.804   0.508
  499   2HB   PRO  62           HB1      PRO  62   2.427  -6.323   0.069
  500   1HG   PRO  62           HG2      PRO  62   3.527  -9.038   0.339
  501   2HG   PRO  62           HG1      PRO  62   1.836  -8.530   0.227
  502   1HD   PRO  62           HD2      PRO  62   3.333  -9.808  -1.818
  503   2HD   PRO  62           HD1      PRO  62   1.747  -9.031  -2.004
  504    H    GLU  63           HN       GLU  63   5.687  -8.247  -1.892
  505    HA   GLU  63           HA       GLU  63   7.845  -6.670  -0.928
  506   1HB   GLU  63           HB2      GLU  63   9.275  -8.388  -1.709
  507   2HB   GLU  63           HB1      GLU  63   7.765  -9.198  -1.308
  508   1HG   GLU  63           HG2      GLU  63   7.964 -10.101  -3.414
  509   2HG   GLU  63           HG1      GLU  63   7.293  -8.561  -3.940
  510    H    VAL  64           HN       VAL  64   6.060  -6.196  -3.729
  511    HA   VAL  64           HA       VAL  64   8.323  -5.138  -5.340
  512    HB   VAL  64           HB       VAL  64   5.356  -5.205  -5.962
  513   1HG1  VAL  64          HG13      VAL  64   7.813  -4.755  -7.683
  514   2HG1  VAL  64          HG12      VAL  64   6.176  -4.958  -8.308
  515   3HG1  VAL  64          HG11      VAL  64   6.566  -3.566  -7.299
  516   1HG2  VAL  64          HG23      VAL  64   7.593  -7.159  -6.524
  517   2HG2  VAL  64          HG22      VAL  64   6.048  -7.473  -5.734
  518   3HG2  VAL  64          HG21      VAL  64   6.101  -7.138  -7.463
  519    H    ILE  65           HN       ILE  65   5.555  -3.979  -3.479
  520    HA   ILE  65           HA       ILE  65   5.947  -1.211  -4.415
  521    HB   ILE  65           HB       ILE  65   4.103  -2.330  -2.300
  522   1HG1  ILE  65          HG12      ILE  65   2.498  -1.702  -4.450
  523   2HG1  ILE  65          HG11      ILE  65   3.951  -2.254  -5.279
  524   1HG2  ILE  65          HG23      ILE  65   4.215   0.341  -3.698
  525   2HG2  ILE  65          HG22      ILE  65   2.844  -0.197  -2.731
  526   3HG2  ILE  65          HG21      ILE  65   4.418   0.025  -1.975
  527   1HD1  ILE  65          HD11      ILE  65   2.486  -3.810  -3.119
  528   2HD1  ILE  65          HD13      ILE  65   2.345  -4.107  -4.851
  529   3HD1  ILE  65          HD12      ILE  65   3.885  -4.374  -4.034
  530    H    TRP  66           HN       TRP  66   6.587  -3.104  -1.488
  531    HA   TRP  66           HA       TRP  66   8.036  -0.720  -0.356
  532   1HB   TRP  66           HB2      TRP  66   6.488  -2.900   1.060
  533   2HB   TRP  66           HB1      TRP  66   7.547  -1.752   1.881
  534    HD1  TRP  66           HD1      TRP  66   6.886   0.870   1.705
  535    HE1  TRP  66           HE1      TRP  66   4.588   2.000   1.421
  536    HE3  TRP  66           HE3      TRP  66   4.146  -3.129   0.058
  537    HZ2  TRP  66           HZ2      TRP  66   1.924   1.304   0.597
  538    HZ3  TRP  66           HZ3      TRP  66   1.730  -2.866  -0.476
  539    HH2  TRP  66           HH2      TRP  66   0.621  -0.657  -0.209
  540    HA   PRO  67           HA       PRO  67  11.044  -4.183  -0.889
  541   1HB   PRO  67           HB2      PRO  67  13.049  -2.679  -2.047
  542   2HB   PRO  67           HB1      PRO  67  11.747  -3.448  -2.976
  543   1HG   PRO  67           HG2      PRO  67  12.103  -0.583  -2.265
  544   2HG   PRO  67           HG1      PRO  67  11.261  -1.285  -3.660
  545   1HD   PRO  67           HD2      PRO  67  10.040  -0.247  -1.311
  546   2HD   PRO  67           HD1      PRO  67   9.238  -1.227  -2.550
  547    H    SER  68           HN       SER  68  11.964  -0.774  -0.123
  548    HA   SER  68           HA       SER  68  14.160  -1.447   1.561
  549   1HB   SER  68           HB2      SER  68  12.362   0.955   1.406
  550   2HB   SER  68           HB1      SER  68  13.659   0.866   2.596
  551    HG   SER  68           HG       SER  68  14.610   0.063   0.252
  552    H    ARG  69           HN       ARG  69  11.333  -2.754   2.160
  553    HA   ARG  69           HA       ARG  69  11.665  -2.563   5.131
  554   1HB   ARG  69           HB2      ARG  69   9.137  -2.166   3.535
  555   2HB   ARG  69           HB1      ARG  69   9.059  -2.810   5.176
  556   1HG   ARG  69           HG2      ARG  69  10.251  -0.831   6.026
  557   2HG   ARG  69           HG1      ARG  69  10.408  -0.202   4.394
  558   1HD   ARG  69           HD2      ARG  69   8.328   0.703   4.474
  559   2HD   ARG  69           HD1      ARG  69   7.605  -0.829   4.933
  560    HE   ARG  69           HE       ARG  69   7.948   1.418   6.632
  561   1HH1  ARG  69          HH21      ARG  69   8.715  -1.956   6.679
  562   2HH1  ARG  69          HH22      ARG  69   8.710  -2.051   8.408
  563   1HH2  ARG  69          HH11      ARG  69   7.928   1.289   8.864
  564   2HH2  ARG  69          HH12      ARG  69   8.265  -0.223   9.640
  565    H    TYR  70           HN       TYR  70  11.434  -4.462   2.363
  566    HA   TYR  70           HA       TYR  70  10.606  -6.899   3.929
  567   1HB   TYR  70           HB2      TYR  70  10.433  -6.162   0.999
  568   2HB   TYR  70           HB1      TYR  70  10.445  -7.855   1.492
  569    HD1  TYR  70           HD2      TYR  70   8.821  -4.656   2.683
  570    HD2  TYR  70           HD1      TYR  70   8.342  -8.815   1.688
  571    HE1  TYR  70           HE2      TYR  70   6.405  -4.515   3.259
  572    HE2  TYR  70           HE1      TYR  70   5.931  -8.683   2.279
  573    HH   TYR  70           HH       TYR  70   4.456  -5.599   3.306
  574    H    GLN  71           HN       GLN  71  12.906  -6.747   4.780
  575    HA   GLN  71           HA       GLN  71  14.632  -8.476   3.150
  576   1HB   GLN  71           HB2      GLN  71  16.584  -6.891   3.386
  577   2HB   GLN  71           HB1      GLN  71  15.334  -6.343   2.272
  578   1HG   GLN  71           HG2      GLN  71  14.400  -4.864   3.954
  579   2HG   GLN  71           HG1      GLN  71  15.502  -5.494   5.176
  580   1HE2  GLN  71          HE22      GLN  71  17.084  -2.387   3.968
  581   2HE2  GLN  71          HE21      GLN  71  15.724  -2.817   4.887
  582    H    ALA  72           HN       ALA  72  13.500  -9.258   5.449
  583    HA   ALA  72           HA       ALA  72  15.593  -8.917   7.578
  584   1HB   ALA  72           HB3      ALA  72  12.661  -9.670   7.772
  585   2HB   ALA  72           HB2      ALA  72  13.787  -9.731   9.127
  586   3HB   ALA  72           HB1      ALA  72  13.414  -8.186   8.359
  587    H    GLY  73           HN       GLY  73  13.690 -11.219   5.703
  588   1HA   GLY  73           HA2      GLY  73  14.276 -13.443   5.152
  589   2HA   GLY  73           HA1      GLY  73  15.696 -13.293   6.186
  590    H    GLU  74           HN       GLU  74  14.221 -15.621   6.319
  591    HA   GLU  74           HA       GLU  74  12.365 -15.404   8.617
  592   1HB   GLU  74           HB2      GLU  74  11.951 -16.934   6.620
  593   2HB   GLU  74           HB1      GLU  74  13.294 -17.915   7.199
  594   1HG   GLU  74           HG2      GLU  74  11.398 -18.944   8.163
  595   2HG   GLU  74           HG1      GLU  74  12.040 -17.947   9.468
   
  No H/Q in entry =         595
  Start of MODEL           8
 Raw file had  612 H/Q atoms
  Start of MODEL    8
    1   1H    CYS   1           HT2      CYS   1   7.749  22.530   1.979
    2   2H    CYS   1           HT1      CYS   1   9.435  22.421   1.781
    3   3H    CYS   1           HT3      CYS   1   8.466  22.980   0.506
    4    HA   CYS   1           HA       CYS   1   7.478  20.849   0.199
    5   1HB   CYS   1           HB2      CYS   1   9.581  19.490  -0.232
    6   2HB   CYS   1           HB1      CYS   1   9.571  21.097  -0.958
    7    HG   CYS   1           HG       CYS   1  11.830  20.962   0.271
    8    H    SER   2           HN       SER   2   8.536  18.375   0.844
    9    HA   SER   2           HA       SER   2   8.656  18.137   3.784
   10   1HB   SER   2           HB2      SER   2   6.760  16.395   3.662
   11   2HB   SER   2           HB1      SER   2   6.289  18.088   3.592
   12    HG   SER   2           HG       SER   2   5.491  16.437   1.931
   13    H    ASN   3           HN       ASN   3   8.648  16.618   0.595
   14    HA   ASN   3           HA       ASN   3   9.747  14.697  -0.188
   15   1HB   ASN   3           HB2      ASN   3  11.653  15.154   2.114
   16   2HB   ASN   3           HB1      ASN   3  12.006  14.451   0.533
   17   1HD2  ASN   3          HD22      ASN   3  12.526  17.579  -1.022
   18   2HD2  ASN   3          HD21      ASN   3  12.508  15.889  -1.189
   19    H    GLU   4           HN       GLU   4   7.865  14.597   2.316
   20    HA   GLU   4           HA       GLU   4   8.629  12.506   4.032
   21   1HB   GLU   4           HB2      GLU   4   6.528  13.883   4.216
   22   2HB   GLU   4           HB1      GLU   4   5.844  12.920   2.906
   23   1HG   GLU   4           HG2      GLU   4   6.254  10.860   4.277
   24   2HG   GLU   4           HG1      GLU   4   6.776  11.899   5.605
   25    H    LYS   5           HN       LYS   5   8.496  10.242   3.901
   26    HA   LYS   5           HA       LYS   5   8.555   8.150   2.852
   27   1HB   LYS   5           HB2      LYS   5   6.117   9.007   2.390
   28   2HB   LYS   5           HB1      LYS   5   6.686   9.212   0.737
   29   1HG   LYS   5           HG2      LYS   5   5.913   7.015   0.630
   30   2HG   LYS   5           HG1      LYS   5   7.595   6.734   1.071
   31   1HD   LYS   5           HD2      LYS   5   6.505   5.407   2.651
   32   2HD   LYS   5           HD1      LYS   5   6.670   6.914   3.548
   33   1HE   LYS   5           HE2      LYS   5   4.404   6.309   3.858
   34   2HE   LYS   5           HE1      LYS   5   4.344   7.519   2.576
   35   1HZ   LYS   5           HZ2      LYS   5   4.780   5.031   1.391
   36   2HZ   LYS   5           HZ1      LYS   5   3.497   4.848   2.490
   37   3HZ   LYS   5           HZ3      LYS   5   3.405   6.022   1.270
   38    H    ALA   6           HN       ALA   6  10.795   8.656   2.216
   39    HA   ALA   6           HA       ALA   6  11.111   9.254  -0.713
   40   1HB   ALA   6           HB2      ALA   6  13.094   9.576   1.560
   41   2HB   ALA   6           HB1      ALA   6  13.414   9.935  -0.137
   42   3HB   ALA   6           HB3      ALA   6  12.226  10.884   0.756
   43    H    ARG   7           HN       ARG   7  10.790   6.645   1.104
   44    HA   ARG   7           HA       ARG   7  13.224   5.197   0.214
   45   1HB   ARG   7           HB2      ARG   7  10.908   4.527   2.038
   46   2HB   ARG   7           HB1      ARG   7  11.935   3.244   1.411
   47   1HG   ARG   7           HG2      ARG   7  12.930   3.754   3.458
   48   2HG   ARG   7           HG1      ARG   7  13.909   4.676   2.324
   49   1HD   ARG   7           HD2      ARG   7  11.876   6.472   2.941
   50   2HD   ARG   7           HD1      ARG   7  12.125   5.648   4.474
   51    HE   ARG   7           HE       ARG   7  13.787   7.677   3.482
   52   1HH1  ARG   7          HH21      ARG   7  14.144   4.389   4.485
   53   2HH1  ARG   7          HH22      ARG   7  15.823   4.554   4.854
   54   1HH2  ARG   7          HH11      ARG   7  15.963   7.900   3.979
   55   2HH2  ARG   7          HH12      ARG   7  16.851   6.539   4.576
   56    H    ASP   8           HN       ASP   8  10.190   3.574   0.408
   57    HA   ASP   8           HA       ASP   8  10.478   2.426  -2.218
   58   1HB   ASP   8           HB2      ASP   8   8.004   2.410  -0.480
   59   2HB   ASP   8           HB1      ASP   8   8.509   1.195  -1.662
   60    H    TRP   9           HN       TRP   9   7.499   2.483  -2.576
   61    HA   TRP   9           HA       TRP   9   7.326   4.512  -4.589
   62   1HB   TRP   9           HB2      TRP   9   5.201   2.875  -3.151
   63   2HB   TRP   9           HB1      TRP   9   4.871   3.909  -4.531
   64    HD1  TRP   9           HD1      TRP   9   7.780   1.372  -3.975
   65    HE1  TRP   9           HE1      TRP   9   7.830  -0.223  -5.986
   66    HE3  TRP   9           HE3      TRP   9   3.668   3.045  -6.523
   67    HZ2  TRP   9           HZ2      TRP   9   6.310  -0.762  -8.356
   68    HZ3  TRP   9           HZ3      TRP   9   2.978   1.953  -8.648
   69    HH2  TRP   9           HH2      TRP   9   4.295   0.054  -9.564
   70    H    HIS  10           HN       HIS  10   7.178   6.675  -4.148
   71    HA   HIS  10           HA       HIS  10   6.788   7.952  -1.718
   72   1HB   HIS  10           HB2      HIS  10   7.290   8.955  -4.058
   73   2HB   HIS  10           HB1      HIS  10   5.539   9.034  -4.255
   74    HD1  HIS  10           HD1      HIS  10   8.322  10.371  -2.061
   75    HD2  HIS  10           HD2      HIS  10   4.295  11.113  -2.838
   76    HE1  HIS  10           HE1      HIS  10   7.752  12.536  -0.876
   77    H    ARG  11           HN       ARG  11   4.902   8.843  -0.646
   78    HA   ARG  11           HA       ARG  11   2.736   7.158  -0.282
   79   1HB   ARG  11           HB2      ARG  11   1.448   9.277   0.406
   80   2HB   ARG  11           HB1      ARG  11   2.961   8.953   1.251
   81   1HG   ARG  11           HG2      ARG  11   4.143  10.501  -0.255
   82   2HG   ARG  11           HG1      ARG  11   2.637  10.824  -1.116
   83   1HD   ARG  11           HD2      ARG  11   1.639  11.771   0.891
   84   2HD   ARG  11           HD1      ARG  11   3.054  11.330   1.845
   85    HE   ARG  11           HE       ARG  11   4.066  12.933  -0.190
   86   1HH1  ARG  11          HH21      ARG  11   1.625  13.163   2.232
   87   2HH1  ARG  11          HH22      ARG  11   1.768  14.881   2.399
   88   1HH2  ARG  11          HH11      ARG  11   4.267  15.174   0.016
   89   2HH2  ARG  11          HH12      ARG  11   3.263  16.019   1.146
   90    H    ALA  12           HN       ALA  12   2.908   9.791  -2.700
   91    HA   ALA  12           HA       ALA  12   0.230   9.087  -3.702
   92   1HB   ALA  12           HB2      ALA  12   1.121  11.432  -3.739
   93   2HB   ALA  12           HB1      ALA  12   2.260  10.925  -4.988
   94   3HB   ALA  12           HB3      ALA  12   0.523  10.855  -5.293
   95    H    ASP  13           HN       ASP  13   3.451   7.981  -4.290
   96    HA   ASP  13           HA       ASP  13   3.040   7.187  -7.050
   97   1HB   ASP  13           HB2      ASP  13   4.914   6.213  -4.897
   98   2HB   ASP  13           HB1      ASP  13   4.899   5.513  -6.513
   99    H    VAL  14           HN       VAL  14   2.084   6.079  -3.956
  100    HA   VAL  14           HA       VAL  14   1.315   3.379  -4.800
  101    HB   VAL  14           HB       VAL  14   0.656   5.004  -2.312
  102   1HG1  VAL  14          HG12      VAL  14   0.150   2.097  -3.023
  103   2HG1  VAL  14          HG11      VAL  14   0.029   2.739  -1.386
  104   3HG1  VAL  14          HG13      VAL  14  -1.059   3.321  -2.643
  105   1HG2  VAL  14          HG21      VAL  14   2.725   2.888  -2.954
  106   2HG2  VAL  14          HG23      VAL  14   3.000   4.527  -2.369
  107   3HG2  VAL  14          HG22      VAL  14   2.289   3.320  -1.299
  108    H    ILE  15           HN       ILE  15  -0.457   6.320  -3.775
  109    HA   ILE  15           HA       ILE  15  -3.051   5.401  -4.579
  110    HB   ILE  15           HB       ILE  15  -1.921   8.209  -4.273
  111   1HG1  ILE  15          HG12      ILE  15  -2.959   8.270  -2.159
  112   2HG1  ILE  15          HG11      ILE  15  -4.033   6.937  -2.534
  113   1HG2  ILE  15          HG22      ILE  15  -4.699   7.263  -4.992
  114   2HG2  ILE  15          HG21      ILE  15  -4.432   8.824  -4.214
  115   3HG2  ILE  15          HG23      ILE  15  -3.718   8.492  -5.792
  116   1HD1  ILE  15          HD11      ILE  15  -1.047   6.648  -2.203
  117   2HD1  ILE  15          HD13      ILE  15  -2.206   6.362  -0.920
  118   3HD1  ILE  15          HD12      ILE  15  -2.221   5.347  -2.357
  119    H    ALA  16           HN       ALA  16  -0.816   7.684  -6.187
  120    HA   ALA  16           HA       ALA  16  -2.249   8.009  -8.583
  121   1HB   ALA  16           HB2      ALA  16  -0.150   9.243  -7.827
  122   2HB   ALA  16           HB1      ALA  16   0.766   7.864  -8.430
  123   3HB   ALA  16           HB3      ALA  16  -0.213   8.824  -9.538
  124    H    GLY  17           HN       GLY  17   0.579   5.874  -8.204
  125   1HA   GLY  17           HA2      GLY  17   0.463   4.479 -10.580
  126   2HA   GLY  17           HA1      GLY  17   0.963   3.731  -9.064
  127    H    LEU  18           HN       LEU  18  -1.173   3.370  -7.592
  128    HA   LEU  18           HA       LEU  18  -2.627   1.271  -8.872
  129   1HB   LEU  18           HB2      LEU  18  -2.999   2.809  -6.299
  130   2HB   LEU  18           HB1      LEU  18  -4.121   1.534  -6.767
  131    HG   LEU  18           HG       LEU  18  -1.152   0.997  -6.741
  132   1HD1  LEU  18          HD13      LEU  18  -1.752   1.928  -4.520
  133   2HD1  LEU  18          HD12      LEU  18  -3.047   0.740  -4.383
  134   3HD1  LEU  18          HD11      LEU  18  -1.365   0.212  -4.422
  135   1HD2  LEU  18          HD23      LEU  18  -3.629  -0.712  -6.316
  136   2HD2  LEU  18          HD22      LEU  18  -2.631  -0.686  -7.765
  137   3HD2  LEU  18          HD21      LEU  18  -1.971  -1.309  -6.256
  138    H    LYS  19           HN       LYS  19  -3.778   4.457  -7.781
  139    HA   LYS  19           HA       LYS  19  -6.388   4.316  -8.818
  140   1HB   LYS  19           HB2      LYS  19  -5.532   6.091  -7.301
  141   2HB   LYS  19           HB1      LYS  19  -4.617   6.772  -8.643
  142   1HG   LYS  19           HG2      LYS  19  -6.585   7.366  -9.830
  143   2HG   LYS  19           HG1      LYS  19  -7.602   6.344  -8.818
  144   1HD   LYS  19           HD2      LYS  19  -6.044   8.558  -7.493
  145   2HD   LYS  19           HD1      LYS  19  -7.485   8.984  -8.415
  146   1HE   LYS  19           HE2      LYS  19  -8.893   7.643  -7.038
  147   2HE   LYS  19           HE1      LYS  19  -7.520   6.813  -6.310
  148   1HZ   LYS  19           HZ1      LYS  19  -7.390   9.656  -6.003
  149   2HZ   LYS  19           HZ3      LYS  19  -8.781   8.993  -5.293
  150   3HZ   LYS  19           HZ2      LYS  19  -7.244   8.430  -4.834
  151    H    LYS  20           HN       LYS  20  -3.520   4.233 -10.584
  152    HA   LYS  20           HA       LYS  20  -4.132   5.807 -12.856
  153   1HB   LYS  20           HB2      LYS  20  -1.927   4.652 -12.450
  154   2HB   LYS  20           HB1      LYS  20  -2.707   3.134 -12.898
  155   1HG   LYS  20           HG2      LYS  20  -3.307   4.115 -15.104
  156   2HG   LYS  20           HG1      LYS  20  -2.448   5.589 -14.660
  157   1HD   LYS  20           HD2      LYS  20  -0.372   4.218 -14.346
  158   2HD   LYS  20           HD1      LYS  20  -1.255   2.818 -14.959
  159   1HE   LYS  20           HE2      LYS  20  -1.663   3.964 -17.082
  160   2HE   LYS  20           HE1      LYS  20  -0.862   5.414 -16.476
  161   1HZ   LYS  20           HZ2      LYS  20   0.807   3.164 -16.118
  162   2HZ   LYS  20           HZ1      LYS  20   0.311   3.249 -17.741
  163   3HZ   LYS  20           HZ3      LYS  20   1.095   4.573 -17.026
  164    H    ARG  21           HN       ARG  21  -5.292   2.682 -11.848
  165    HA   ARG  21           HA       ARG  21  -6.810   2.358 -14.390
  166   1HB   ARG  21           HB2      ARG  21  -6.314   0.614 -11.956
  167   2HB   ARG  21           HB1      ARG  21  -7.576   0.223 -13.126
  168   1HG   ARG  21           HG2      ARG  21  -6.040  -0.164 -14.858
  169   2HG   ARG  21           HG1      ARG  21  -4.770   0.779 -14.080
  170   1HD   ARG  21           HD2      ARG  21  -4.625  -1.843 -14.039
  171   2HD   ARG  21           HD1      ARG  21  -4.230  -0.937 -12.577
  172    HE   ARG  21           HE       ARG  21  -6.954  -1.446 -12.354
  173   1HH1  ARG  21          HH21      ARG  21  -4.078  -3.272 -12.887
  174   2HH1  ARG  21          HH22      ARG  21  -4.677  -4.697 -12.104
  175   1HH2  ARG  21          HH11      ARG  21  -7.753  -3.298 -11.325
  176   2HH2  ARG  21          HH12      ARG  21  -6.757  -4.711 -11.221
  177    H    LYS  22           HN       LYS  22  -8.027   1.326 -11.309
  178    HA   LYS  22           HA       LYS  22  -9.673   3.702 -10.926
  179   1HB   LYS  22           HB2      LYS  22 -10.923   1.058 -11.758
  180   2HB   LYS  22           HB1      LYS  22 -11.831   2.355 -10.983
  181   1HG   LYS  22           HG2      LYS  22 -10.925   3.875 -12.864
  182   2HG   LYS  22           HG1      LYS  22 -10.479   2.382 -13.685
  183   1HD   LYS  22           HD2      LYS  22 -12.871   1.617 -13.412
  184   2HD   LYS  22           HD1      LYS  22 -13.254   3.237 -12.826
  185   1HE   LYS  22           HE2      LYS  22 -11.948   2.685 -15.502
  186   2HE   LYS  22           HE1      LYS  22 -13.680   2.921 -15.287
  187   1HZ   LYS  22           HZ3      LYS  22 -12.571   5.015 -13.959
  188   2HZ   LYS  22           HZ2      LYS  22 -11.570   4.853 -15.323
  189   3HZ   LYS  22           HZ1      LYS  22 -13.244   5.075 -15.515
  190    H    LEU  23           HN       LEU  23  -7.820   2.843  -9.219
  191    HA   LEU  23           HA       LEU  23  -9.288   1.324  -7.077
  192   1HB   LEU  23           HB2      LEU  23  -6.309   1.698  -7.413
  193   2HB   LEU  23           HB1      LEU  23  -7.099   0.685  -6.216
  194    HG   LEU  23           HG       LEU  23  -7.095   0.277  -9.223
  195   1HD1  LEU  23          HD11      LEU  23  -5.862  -1.217  -6.885
  196   2HD1  LEU  23          HD13      LEU  23  -5.915  -1.845  -8.534
  197   3HD1  LEU  23          HD12      LEU  23  -5.007  -0.376  -8.181
  198   1HD2  LEU  23          HD23      LEU  23  -8.596  -1.100  -6.985
  199   2HD2  LEU  23          HD22      LEU  23  -9.235  -0.492  -8.510
  200   3HD2  LEU  23          HD21      LEU  23  -8.232  -1.938  -8.490
  201    H    SER  24           HN       SER  24  -9.351   2.239  -5.026
  202    HA   SER  24           HA       SER  24  -7.827   4.706  -4.467
  203   1HB   SER  24           HB2      SER  24 -10.064   5.782  -3.689
  204   2HB   SER  24           HB1      SER  24  -9.711   5.777  -5.416
  205    HG   SER  24           HG       SER  24 -11.471   4.143  -3.934
  206    H    LEU  25           HN       LEU  25  -7.079   4.451  -2.394
  207    HA   LEU  25           HA       LEU  25  -7.650   2.319  -0.711
  208   1HB   LEU  25           HB2      LEU  25  -6.975   5.143   0.166
  209   2HB   LEU  25           HB1      LEU  25  -6.821   3.702   1.176
  210    HG   LEU  25           HG       LEU  25  -5.432   3.833  -1.506
  211   1HD1  LEU  25          HD11      LEU  25  -4.589   5.122   1.092
  212   2HD1  LEU  25          HD13      LEU  25  -3.388   4.557  -0.070
  213   3HD1  LEU  25          HD12      LEU  25  -4.551   5.796  -0.537
  214   1HD2  LEU  25          HD23      LEU  25  -4.873   2.398   1.115
  215   2HD2  LEU  25          HD22      LEU  25  -5.493   1.662  -0.359
  216   3HD2  LEU  25          HD21      LEU  25  -3.855   2.295  -0.318
  217    H    SER  26           HN       SER  26  -9.760   4.896  -1.470
  218    HA   SER  26           HA       SER  26 -11.380   4.637   0.969
  219   1HB   SER  26           HB2      SER  26 -12.039   5.993  -1.665
  220   2HB   SER  26           HB1      SER  26 -12.926   6.173  -0.156
  221    HG   SER  26           HG       SER  26 -10.474   6.683   0.475
  222    H    ALA  27           HN       ALA  27 -11.453   3.541  -2.398
  223    HA   ALA  27           HA       ALA  27 -13.995   2.135  -2.062
  224   1HB   ALA  27           HB3      ALA  27 -11.922   2.136  -4.271
  225   2HB   ALA  27           HB2      ALA  27 -13.417   1.206  -4.343
  226   3HB   ALA  27           HB1      ALA  27 -13.476   2.967  -4.269
  227    H    LEU  28           HN       LEU  28 -10.548   1.256  -2.203
  228    HA   LEU  28           HA       LEU  28 -10.902  -1.577  -2.100
  229   1HB   LEU  28           HB2      LEU  28  -8.663   0.280  -1.282
  230   2HB   LEU  28           HB1      LEU  28  -8.549  -1.452  -0.991
  231    HG   LEU  28           HG       LEU  28  -8.718  -1.955  -3.320
  232   1HD1  LEU  28          HD11      LEU  28  -9.474   0.953  -3.613
  233   2HD1  LEU  28          HD13      LEU  28  -8.945  -0.014  -4.977
  234   3HD1  LEU  28          HD12      LEU  28 -10.401  -0.459  -4.099
  235   1HD2  LEU  28          HD21      LEU  28  -6.516  -1.093  -2.484
  236   2HD2  LEU  28          HD23      LEU  28  -6.759  -0.816  -4.209
  237   3HD2  LEU  28          HD22      LEU  28  -6.970   0.511  -3.066
  238    H    SER  29           HN       SER  29 -10.833   0.907   0.374
  239    HA   SER  29           HA       SER  29 -10.630  -0.835   2.639
  240   1HB   SER  29           HB2      SER  29 -11.845   1.924   2.356
  241   2HB   SER  29           HB1      SER  29 -11.579   1.113   3.896
  242    HG   SER  29           HG       SER  29  -9.879   2.605   2.869
  243    H    ARG  30           HN       ARG  30 -13.537   0.829   1.318
  244    HA   ARG  30           HA       ARG  30 -15.347  -0.696   2.961
  245   1HB   ARG  30           HB2      ARG  30 -17.118   0.307   1.575
  246   2HB   ARG  30           HB1      ARG  30 -15.937   1.523   2.062
  247   1HG   ARG  30           HG2      ARG  30 -14.756   1.035  -0.162
  248   2HG   ARG  30           HG1      ARG  30 -16.224   0.179  -0.629
  249   1HD   ARG  30           HD2      ARG  30 -17.459   2.359   0.082
  250   2HD   ARG  30           HD1      ARG  30 -15.868   3.113  -0.030
  251    HE   ARG  30           HE       ARG  30 -16.137   1.759  -2.437
  252   1HH1  ARG  30          HH21      ARG  30 -17.952   4.057  -0.623
  253   2HH1  ARG  30          HH22      ARG  30 -18.668   4.795  -2.017
  254   1HH2  ARG  30          HH11      ARG  30 -17.064   2.703  -4.270
  255   2HH2  ARG  30          HH12      ARG  30 -18.167   4.026  -4.083
  256    H    GLN  31           HN       GLN  31 -13.801  -1.395  -0.067
  257    HA   GLN  31           HA       GLN  31 -15.778  -3.198  -1.119
  258   1HB   GLN  31           HB2      GLN  31 -12.887  -2.643  -1.601
  259   2HB   GLN  31           HB1      GLN  31 -13.479  -4.205  -2.157
  260   1HG   GLN  31           HG2      GLN  31 -15.277  -3.060  -3.423
  261   2HG   GLN  31           HG1      GLN  31 -14.642  -1.498  -2.897
  262   1HE2  GLN  31          HE22      GLN  31 -11.865  -1.581  -5.131
  263   2HE2  GLN  31          HE21      GLN  31 -12.506  -0.845  -3.742
  264    H    PHE  32           HN       PHE  32 -13.259  -3.593   1.316
  265    HA   PHE  32           HA       PHE  32 -13.889  -6.522   1.483
  266   1HB   PHE  32           HB2      PHE  32 -11.534  -4.848   2.383
  267   2HB   PHE  32           HB1      PHE  32 -11.822  -6.453   3.059
  268    HD1  PHE  32           HD1      PHE  32 -11.023  -4.562  -0.027
  269    HD2  PHE  32           HD2      PHE  32 -11.602  -8.463   1.719
  270    HE1  PHE  32           HE1      PHE  32 -10.068  -5.622  -2.067
  271    HE2  PHE  32           HE2      PHE  32 -10.640  -9.519  -0.318
  272    HZ   PHE  32           HZ       PHE  32  -9.876  -8.099  -2.212
  273    H    GLY  33           HN       GLY  33 -14.006  -3.498   3.297
  274   1HA   GLY  33           HA2      GLY  33 -15.999  -3.534   4.916
  275   2HA   GLY  33           HA1      GLY  33 -15.244  -4.971   5.596
  276    H    TYR  34           HN       TYR  34 -12.582  -4.269   5.739
  277    HA   TYR  34           HA       TYR  34 -12.350  -2.874   8.117
  278   1HB   TYR  34           HB2      TYR  34 -10.265  -2.575   5.953
  279   2HB   TYR  34           HB1      TYR  34 -10.028  -2.634   7.697
  280    HD1  TYR  34           HD2      TYR  34 -11.469  -4.904   8.681
  281    HD2  TYR  34           HD1      TYR  34  -9.371  -4.483   4.938
  282    HE1  TYR  34           HE2      TYR  34 -11.190  -7.366   8.560
  283    HE2  TYR  34           HE1      TYR  34  -9.096  -6.945   4.825
  284    HH   TYR  34           HH       TYR  34 -10.701  -9.049   6.119
  285    H    ALA  35           HN       ALA  35 -12.698  -0.822   8.732
  286    HA   ALA  35           HA       ALA  35 -13.751   1.171   7.079
  287   1HB   ALA  35           HB2      ALA  35 -12.959   0.935   9.818
  288   2HB   ALA  35           HB1      ALA  35 -12.289   2.450   9.225
  289   3HB   ALA  35           HB3      ALA  35 -14.025   2.150   9.120
  290    HA   PRO  36           HA       PRO  36 -10.478   3.010   4.801
  291   1HB   PRO  36           HB2      PRO  36 -10.797   5.754   5.651
  292   2HB   PRO  36           HB1      PRO  36 -11.411   5.003   4.172
  293   1HG   PRO  36           HG2      PRO  36 -12.909   5.781   6.553
  294   2HG   PRO  36           HG1      PRO  36 -13.537   5.167   5.015
  295   1HD   PRO  36           HD2      PRO  36 -13.425   3.756   7.511
  296   2HD   PRO  36           HD1      PRO  36 -13.897   3.101   5.928
  297    H    THR  37           HN       THR  37 -10.712   3.870   8.215
  298    HA   THR  37           HA       THR  37  -8.123   5.001   8.564
  299    HB   THR  37           HB       THR  37  -8.431   4.600  10.912
  300    HG1  THR  37           HG1      THR  37  -8.932   2.404  10.799
  301   1HG2  THR  37          HG21      THR  37 -10.066   6.142   9.708
  302   2HG2  THR  37          HG23      THR  37 -11.229   4.820   9.792
  303   3HG2  THR  37          HG22      THR  37 -10.598   5.532  11.276
  304    H    THR  38           HN       THR  38  -9.207   1.620   8.958
  305    HA   THR  38           HA       THR  38  -6.717   0.500   9.673
  306    HB   THR  38           HB       THR  38  -9.093  -0.580   8.154
  307    HG1  THR  38           HG1      THR  38  -8.061  -0.688  10.755
  308   1HG2  THR  38          HG21      THR  38  -6.457  -1.911   8.724
  309   2HG2  THR  38          HG23      THR  38  -7.943  -2.860   8.763
  310   3HG2  THR  38          HG22      THR  38  -7.471  -2.021   7.285
  311    H    LEU  39           HN       LEU  39  -8.111   0.296   6.382
  312    HA   LEU  39           HA       LEU  39  -5.820  -0.524   5.037
  313   1HB   LEU  39           HB2      LEU  39  -8.170  -0.216   4.100
  314   2HB   LEU  39           HB1      LEU  39  -7.771   1.488   3.901
  315    HG   LEU  39           HG       LEU  39  -5.776   0.785   2.534
  316   1HD1  LEU  39          HD12      LEU  39  -6.981  -1.918   3.077
  317   2HD1  LEU  39          HD11      LEU  39  -6.222  -1.636   1.513
  318   3HD1  LEU  39          HD13      LEU  39  -5.283  -1.453   2.993
  319   1HD2  LEU  39          HD23      LEU  39  -8.521  -0.061   1.573
  320   2HD2  LEU  39          HD22      LEU  39  -7.842   1.562   1.493
  321   3HD2  LEU  39          HD21      LEU  39  -7.143   0.266   0.526
  322    H    ALA  40           HN       ALA  40  -6.861   2.905   5.298
  323    HA   ALA  40           HA       ALA  40  -4.532   4.030   4.165
  324   1HB   ALA  40           HB2      ALA  40  -6.613   5.298   4.714
  325   2HB   ALA  40           HB1      ALA  40  -6.187   5.198   6.422
  326   3HB   ALA  40           HB3      ALA  40  -5.156   6.096   5.305
  327    H    ASN  41           HN       ASN  41  -5.237   3.791   7.660
  328    HA   ASN  41           HA       ASN  41  -2.663   4.487   8.587
  329   1HB   ASN  41           HB2      ASN  41  -4.816   4.237   9.938
  330   2HB   ASN  41           HB1      ASN  41  -4.484   2.501   9.964
  331   1HD2  ASN  41          HD22      ASN  41  -1.172   4.049  11.534
  332   2HD2  ASN  41          HD21      ASN  41  -1.489   3.950   9.869
  333    H    ALA  42           HN       ALA  42  -3.551   1.683   6.873
  334    HA   ALA  42           HA       ALA  42  -1.724  -0.172   8.140
  335   1HB   ALA  42           HB1      ALA  42  -3.708  -0.775   6.633
  336   2HB   ALA  42           HB3      ALA  42  -2.672  -0.329   5.277
  337   3HB   ALA  42           HB2      ALA  42  -2.209  -1.656   6.341
  338    H    LEU  43           HN       LEU  43  -1.058   2.607   6.543
  339    HA   LEU  43           HA       LEU  43   1.165   1.644   4.892
  340   1HB   LEU  43           HB2      LEU  43   0.348   4.442   5.730
  341   2HB   LEU  43           HB1      LEU  43   1.630   4.078   4.572
  342    HG   LEU  43           HG       LEU  43  -1.195   3.052   4.202
  343   1HD1  LEU  43          HD13      LEU  43  -1.248   5.526   4.381
  344   2HD1  LEU  43          HD12      LEU  43  -0.029   5.630   3.113
  345   3HD1  LEU  43          HD11      LEU  43  -1.625   4.976   2.749
  346   1HD2  LEU  43          HD21      LEU  43   1.224   3.420   2.408
  347   2HD2  LEU  43          HD23      LEU  43   0.354   1.928   2.762
  348   3HD2  LEU  43          HD22      LEU  43  -0.393   3.165   1.760
  349    H    GLU  44           HN       GLU  44   0.669   2.560   8.172
  350    HA   GLU  44           HA       GLU  44   3.620   2.387   8.651
  351   1HB   GLU  44           HB2      GLU  44   3.278   4.082  10.489
  352   2HB   GLU  44           HB1      GLU  44   3.093   4.728   8.859
  353   1HG   GLU  44           HG2      GLU  44   0.656   4.543   9.032
  354   2HG   GLU  44           HG1      GLU  44   0.808   3.816  10.631
  355    H    ARG  45           HN       ARG  45   0.416   1.459   9.516
  356    HA   ARG  45           HA       ARG  45   1.056   0.605  12.220
  357   1HB   ARG  45           HB2      ARG  45  -1.275   1.135  11.404
  358   2HB   ARG  45           HB1      ARG  45  -1.220  -0.363  10.468
  359   1HG   ARG  45           HG2      ARG  45  -0.851  -1.661  12.510
  360   2HG   ARG  45           HG1      ARG  45  -0.822  -0.183  13.469
  361   1HD   ARG  45           HD2      ARG  45  -3.152   0.300  12.753
  362   2HD   ARG  45           HD1      ARG  45  -3.176  -1.225  11.868
  363    HE   ARG  45           HE       ARG  45  -2.461  -1.964  14.441
  364   1HH1  ARG  45          HH21      ARG  45  -4.983  -0.106  12.998
  365   2HH1  ARG  45          HH22      ARG  45  -6.168  -0.550  14.180
  366   1HH2  ARG  45          HH11      ARG  45  -3.995  -2.557  15.990
  367   2HH2  ARG  45          HH12      ARG  45  -5.609  -1.939  15.872
  368    H    HIS  46           HN       HIS  46   1.866  -1.358  12.870
  369    HA   HIS  46           HA       HIS  46   3.122  -3.069  10.938
  370   1HB   HIS  46           HB2      HIS  46   3.144  -4.664  13.086
  371   2HB   HIS  46           HB1      HIS  46   4.170  -3.230  13.008
  372    HD1  HIS  46           HD1      HIS  46   4.142  -2.380  15.367
  373    HD2  HIS  46           HD2      HIS  46   0.308  -3.262  13.984
  374    HE1  HIS  46           HE1      HIS  46   2.535  -1.595  17.160
  375    H    TRP  47           HN       TRP  47   1.430  -3.629   9.479
  376    HA   TRP  47           HA       TRP  47  -0.048  -6.040  10.250
  377   1HB   TRP  47           HB2      TRP  47  -1.598  -4.220  10.947
  378   2HB   TRP  47           HB1      TRP  47  -1.539  -3.557   9.315
  379    HD1  TRP  47           HD1      TRP  47  -2.028  -7.196  10.576
  380    HE1  TRP  47           HE1      TRP  47  -4.120  -8.162   9.433
  381    HE3  TRP  47           HE3      TRP  47  -3.554  -3.098   7.916
  382    HZ2  TRP  47           HZ2      TRP  47  -6.177  -7.323   7.622
  383    HZ3  TRP  47           HZ3      TRP  47  -5.589  -3.209   6.493
  384    HH2  TRP  47           HH2      TRP  47  -6.903  -5.316   6.347
  385    HA   PRO  48           HA       PRO  48   1.835  -5.522   5.970
  386   1HB   PRO  48           HB2      PRO  48   2.616  -8.337   6.310
  387   2HB   PRO  48           HB1      PRO  48   3.640  -6.925   6.006
  388   1HG   PRO  48           HG2      PRO  48   3.427  -8.323   8.463
  389   2HG   PRO  48           HG1      PRO  48   4.196  -6.745   8.227
  390   1HD   PRO  48           HD2      PRO  48   1.657  -7.355   9.552
  391   2HD   PRO  48           HD1      PRO  48   2.545  -5.812   9.513
  392    H    LYS  49           HN       LYS  49  -0.543  -7.570   7.432
  393    HA   LYS  49           HA       LYS  49  -1.227  -9.054   5.043
  394   1HB   LYS  49           HB2      LYS  49  -1.995  -9.986   7.101
  395   2HB   LYS  49           HB1      LYS  49  -2.687  -8.459   7.619
  396   1HG   LYS  49           HG2      LYS  49  -4.444 -10.043   6.918
  397   2HG   LYS  49           HG1      LYS  49  -4.425  -8.635   5.870
  398   1HD   LYS  49           HD2      LYS  49  -4.662 -10.728   4.576
  399   2HD   LYS  49           HD1      LYS  49  -3.168  -9.904   4.171
  400   1HE   LYS  49           HE2      LYS  49  -3.051 -11.930   6.367
  401   2HE   LYS  49           HE1      LYS  49  -3.216 -12.526   4.719
  402   1HZ   LYS  49           HZ3      LYS  49  -1.301 -11.097   4.124
  403   2HZ   LYS  49           HZ2      LYS  49  -1.087 -10.752   5.773
  404   3HZ   LYS  49           HZ1      LYS  49  -0.919 -12.343   5.207
  405    H    GLY  50           HN       GLY  50  -1.832  -5.854   6.229
  406   1HA   GLY  50           HA2      GLY  50  -4.132  -5.311   4.522
  407   2HA   GLY  50           HA1      GLY  50  -3.166  -4.097   5.369
  408    H    GLU  51           HN       GLU  51  -0.670  -5.349   4.164
  409    HA   GLU  51           HA       GLU  51  -0.567  -3.664   1.805
  410   1HB   GLU  51           HB2      GLU  51   1.377  -5.833   2.665
  411   2HB   GLU  51           HB1      GLU  51   1.701  -4.528   1.530
  412   1HG   GLU  51           HG2      GLU  51   0.847  -3.980   4.376
  413   2HG   GLU  51           HG1      GLU  51   2.538  -4.210   3.942
  414    H    GLN  52           HN       GLN  52  -0.955  -7.129   2.458
  415    HA   GLN  52           HA       GLN  52  -0.734  -8.087  -0.206
  416   1HB   GLN  52           HB2      GLN  52  -2.231  -9.024   2.245
  417   2HB   GLN  52           HB1      GLN  52  -2.371  -9.891   0.716
  418   1HG   GLN  52           HG2      GLN  52  -0.606 -10.889   2.057
  419   2HG   GLN  52           HG1      GLN  52   0.110 -10.110   0.653
  420   1HE2  GLN  52          HE22      GLN  52   1.261  -8.979   4.324
  421   2HE2  GLN  52          HE21      GLN  52   0.333 -10.369   4.029
  422    H    ILE  53           HN       ILE  53  -3.474  -6.691   1.585
  423    HA   ILE  53           HA       ILE  53  -5.519  -7.197  -0.317
  424    HB   ILE  53           HB       ILE  53  -5.135  -4.861   1.581
  425   1HG1  ILE  53          HG12      ILE  53  -6.945  -7.293   1.749
  426   2HG1  ILE  53          HG11      ILE  53  -5.368  -7.193   2.530
  427   1HG2  ILE  53          HG22      ILE  53  -7.531  -5.675  -0.088
  428   2HG2  ILE  53          HG21      ILE  53  -7.616  -4.544   1.260
  429   3HG2  ILE  53          HG23      ILE  53  -6.661  -4.144  -0.164
  430   1HD1  ILE  53          HD11      ILE  53  -6.383  -4.938   3.537
  431   2HD1  ILE  53          HD13      ILE  53  -7.916  -5.745   3.203
  432   3HD1  ILE  53          HD12      ILE  53  -6.741  -6.494   4.277
  433    H    ILE  54           HN       ILE  54  -3.531  -4.218   0.018
  434    HA   ILE  54           HA       ILE  54  -4.470  -3.013  -2.393
  435    HB   ILE  54           HB       ILE  54  -1.891  -2.672  -0.833
  436   1HG1  ILE  54          HG12      ILE  54  -4.215  -0.757  -1.030
  437   2HG1  ILE  54          HG11      ILE  54  -4.262  -2.095   0.114
  438   1HG2  ILE  54          HG22      ILE  54  -2.863  -1.390  -3.371
  439   2HG2  ILE  54          HG21      ILE  54  -2.079  -0.346  -2.191
  440   3HG2  ILE  54          HG23      ILE  54  -1.216  -1.734  -2.848
  441   1HD1  ILE  54          HD13      ILE  54  -1.817  -0.336   0.069
  442   2HD1  ILE  54          HD12      ILE  54  -3.275   0.248   0.862
  443   3HD1  ILE  54          HD11      ILE  54  -2.519  -1.247   1.402
  444    H    ALA  55           HN       ALA  55  -1.418  -4.810  -1.783
  445    HA   ALA  55           HA       ALA  55  -0.476  -4.714  -4.457
  446   1HB   ALA  55           HB1      ALA  55   0.723  -5.540  -2.314
  447   2HB   ALA  55           HB3      ALA  55  -0.028  -7.099  -2.659
  448   3HB   ALA  55           HB2      ALA  55   1.080  -6.374  -3.827
  449    H    ASN  56           HN       ASN  56  -2.733  -6.925  -2.887
  450    HA   ASN  56           HA       ASN  56  -2.894  -8.915  -4.890
  451   1HB   ASN  56           HB2      ASN  56  -4.024  -9.198  -2.753
  452   2HB   ASN  56           HB1      ASN  56  -5.065  -7.811  -3.080
  453   1HD2  ASN  56          HD22      ASN  56  -7.430 -10.044  -4.436
  454   2HD2  ASN  56          HD21      ASN  56  -7.102  -8.826  -3.301
  455    H    ALA  57           HN       ALA  57  -4.317  -5.694  -4.722
  456    HA   ALA  57           HA       ALA  57  -6.183  -5.958  -6.855
  457   1HB   ALA  57           HB1      ALA  57  -5.936  -4.005  -5.226
  458   2HB   ALA  57           HB3      ALA  57  -4.609  -3.449  -6.247
  459   3HB   ALA  57           HB2      ALA  57  -6.239  -3.568  -6.907
  460    H    LEU  58           HN       LEU  58  -2.707  -5.287  -6.883
  461    HA   LEU  58           HA       LEU  58  -2.731  -4.938  -9.824
  462   1HB   LEU  58           HB2      LEU  58  -0.543  -4.857  -7.731
  463   2HB   LEU  58           HB1      LEU  58  -0.235  -4.679  -9.450
  464    HG   LEU  58           HG       LEU  58  -2.195  -2.936  -7.949
  465   1HD1  LEU  58          HD13      LEU  58   0.754  -2.491  -8.498
  466   2HD1  LEU  58          HD12      LEU  58  -0.348  -1.229  -7.945
  467   3HD1  LEU  58          HD11      LEU  58  -0.019  -2.624  -6.921
  468   1HD2  LEU  58          HD21      LEU  58  -0.945  -2.894 -10.701
  469   2HD2  LEU  58          HD23      LEU  58  -2.635  -2.679 -10.249
  470   3HD2  LEU  58          HD22      LEU  58  -1.476  -1.388  -9.959
  471    H    GLU  59           HN       GLU  59  -3.109  -7.544  -8.008
  472    HA   GLU  59           HA       GLU  59  -2.539  -9.811  -8.206
  473   1HB   GLU  59           HB2      GLU  59  -2.209  -8.766 -11.013
  474   2HB   GLU  59           HB1      GLU  59  -1.934 -10.465 -10.627
  475   1HG   GLU  59           HG2      GLU  59  -4.473  -8.999  -9.870
  476   2HG   GLU  59           HG1      GLU  59  -4.287  -9.886 -11.375
  477    H    THR  60           HN       THR  60  -0.385  -7.680  -7.660
  478    HA   THR  60           HA       THR  60   2.014  -9.282  -8.498
  479    HB   THR  60           HB       THR  60   1.811  -6.802  -9.164
  480    HG1  THR  60           HG1      THR  60   3.779  -7.692  -9.319
  481   1HG2  THR  60          HG21      THR  60   1.041  -6.246  -6.710
  482   2HG2  THR  60          HG23      THR  60   2.774  -6.240  -6.371
  483   3HG2  THR  60          HG22      THR  60   2.104  -5.122  -7.559
  484    H    LYS  61           HN       LYS  61   3.855  -8.487  -6.669
  485    HA   LYS  61           HA       LYS  61   2.788  -9.651  -4.147
  486   1HB   LYS  61           HB2      LYS  61   5.654  -9.228  -5.039
  487   2HB   LYS  61           HB1      LYS  61   5.143 -10.102  -3.598
  488   1HG   LYS  61           HG2      LYS  61   4.223 -11.876  -4.843
  489   2HG   LYS  61           HG1      LYS  61   4.153 -10.929  -6.327
  490   1HD   LYS  61           HD2      LYS  61   6.837 -11.438  -5.057
  491   2HD   LYS  61           HD1      LYS  61   6.073 -12.729  -5.978
  492   1HE   LYS  61           HE2      LYS  61   6.329  -9.956  -7.140
  493   2HE   LYS  61           HE1      LYS  61   7.657 -11.113  -7.245
  494   1HZ   LYS  61           HZ1      LYS  61   4.883 -11.605  -8.184
  495   2HZ   LYS  61           HZ3      LYS  61   6.194 -11.205  -9.182
  496   3HZ   LYS  61           HZ2      LYS  61   6.196 -12.674  -8.329
  497    HA   PRO  62           HA       PRO  62   3.110  -5.641  -2.222
  498   1HB   PRO  62           HB2      PRO  62   3.938  -6.511   0.366
  499   2HB   PRO  62           HB1      PRO  62   2.271  -6.259  -0.174
  500   1HG   PRO  62           HG2      PRO  62   3.703  -8.806   0.256
  501   2HG   PRO  62           HG1      PRO  62   1.964  -8.522   0.094
  502   1HD   PRO  62           HD2      PRO  62   3.644  -9.683  -1.871
  503   2HD   PRO  62           HD1      PRO  62   1.986  -9.092  -2.121
  504    H    GLU  63           HN       GLU  63   5.684  -7.985  -2.119
  505    HA   GLU  63           HA       GLU  63   7.800  -6.395  -1.068
  506   1HB   GLU  63           HB2      GLU  63   8.089  -8.493  -3.232
  507   2HB   GLU  63           HB1      GLU  63   9.285  -8.019  -2.026
  508   1HG   GLU  63           HG2      GLU  63   6.626  -9.359  -1.437
  509   2HG   GLU  63           HG1      GLU  63   8.203 -10.147  -1.400
  510    H    VAL  64           HN       VAL  64   6.022  -5.935  -3.906
  511    HA   VAL  64           HA       VAL  64   8.273  -4.757  -5.440
  512    HB   VAL  64           HB       VAL  64   5.317  -4.839  -6.114
  513   1HG1  VAL  64          HG11      VAL  64   7.834  -4.248  -7.687
  514   2HG1  VAL  64          HG13      VAL  64   6.294  -4.622  -8.458
  515   3HG1  VAL  64          HG12      VAL  64   6.446  -3.191  -7.440
  516   1HG2  VAL  64          HG21      VAL  64   6.269  -7.110  -5.793
  517   2HG2  VAL  64          HG23      VAL  64   5.884  -6.805  -7.485
  518   3HG2  VAL  64          HG22      VAL  64   7.556  -6.722  -6.931
  519    H    ILE  65           HN       ILE  65   5.370  -3.723  -3.679
  520    HA   ILE  65           HA       ILE  65   5.816  -0.901  -4.413
  521    HB   ILE  65           HB       ILE  65   3.838  -2.173  -2.508
  522   1HG1  ILE  65          HG12      ILE  65   3.158  -1.004  -5.203
  523   2HG1  ILE  65          HG11      ILE  65   3.811  -2.640  -5.122
  524   1HG2  ILE  65          HG22      ILE  65   4.129   0.634  -3.589
  525   2HG2  ILE  65          HG21      ILE  65   2.651   0.043  -2.833
  526   3HG2  ILE  65          HG23      ILE  65   4.143   0.129  -1.901
  527   1HD1  ILE  65          HD11      ILE  65   2.004  -3.220  -3.467
  528   2HD1  ILE  65          HD13      ILE  65   1.303  -1.626  -3.748
  529   3HD1  ILE  65          HD12      ILE  65   1.395  -2.793  -5.064
  530    H    TRP  66           HN       TRP  66   6.772  -3.077  -1.871
  531    HA   TRP  66           HA       TRP  66   8.038  -0.777  -0.439
  532   1HB   TRP  66           HB2      TRP  66   6.393  -2.972   0.847
  533   2HB   TRP  66           HB1      TRP  66   7.444  -1.876   1.741
  534    HD1  TRP  66           HD1      TRP  66   6.825   0.780   1.599
  535    HE1  TRP  66           HE1      TRP  66   4.532   1.932   1.340
  536    HE3  TRP  66           HE3      TRP  66   4.062  -3.166  -0.113
  537    HZ2  TRP  66           HZ2      TRP  66   1.864   1.266   0.512
  538    HZ3  TRP  66           HZ3      TRP  66   1.645  -2.885  -0.630
  539    HH2  TRP  66           HH2      TRP  66   0.545  -0.674  -0.320
  540    HA   PRO  67           HA       PRO  67  10.863  -4.436  -1.029
  541   1HB   PRO  67           HB2      PRO  67  12.819  -2.935  -2.418
  542   2HB   PRO  67           HB1      PRO  67  11.629  -4.020  -3.156
  543   1HG   PRO  67           HG2      PRO  67  11.709  -1.088  -3.233
  544   2HG   PRO  67           HG1      PRO  67  10.678  -2.189  -4.161
  545   1HD   PRO  67           HD2      PRO  67   9.935  -0.580  -1.871
  546   2HD   PRO  67           HD1      PRO  67   8.903  -1.678  -2.803
  547    H    SER  68           HN       SER  68  11.474  -1.037  -0.187
  548    HA   SER  68           HA       SER  68  13.956  -1.596   1.221
  549   1HB   SER  68           HB2      SER  68  13.164   0.640   0.175
  550   2HB   SER  68           HB1      SER  68  12.251   0.853   1.668
  551    HG   SER  68           HG       SER  68  14.807   0.022   2.107
  552    H    ARG  69           HN       ARG  69  10.837  -2.372   2.024
  553    HA   ARG  69           HA       ARG  69  11.192  -1.874   4.948
  554   1HB   ARG  69           HB2      ARG  69   8.815  -2.869   3.347
  555   2HB   ARG  69           HB1      ARG  69   8.828  -2.689   5.102
  556   1HG   ARG  69           HG2      ARG  69   9.550  -0.241   4.647
  557   2HG   ARG  69           HG1      ARG  69   9.015  -0.533   2.993
  558   1HD   ARG  69           HD2      ARG  69   6.788  -1.243   3.885
  559   2HD   ARG  69           HD1      ARG  69   7.336  -0.812   5.502
  560    HE   ARG  69           HE       ARG  69   7.766   1.490   4.025
  561   1HH1  ARG  69          HH21      ARG  69   5.129  -0.660   4.597
  562   2HH1  ARG  69          HH22      ARG  69   3.920   0.570   4.445
  563   1HH2  ARG  69          HH11      ARG  69   6.196   3.109   3.825
  564   2HH2  ARG  69          HH12      ARG  69   4.523   2.700   4.010
  565    H    TYR  70           HN       TYR  70  11.436  -4.373   2.577
  566    HA   TYR  70           HA       TYR  70  11.381  -6.513   4.687
  567   1HB   TYR  70           HB2      TYR  70  11.089  -6.513   1.674
  568   2HB   TYR  70           HB1      TYR  70  11.488  -7.992   2.540
  569    HD1  TYR  70           HD2      TYR  70   9.938  -8.880   4.316
  570    HD2  TYR  70           HD1      TYR  70   8.913  -5.595   1.749
  571    HE1  TYR  70           HE2      TYR  70   7.540  -9.161   4.925
  572    HE2  TYR  70           HE1      TYR  70   6.508  -5.859   2.352
  573    HH   TYR  70           HH       TYR  70   5.127  -6.813   4.016
  574    H    GLN  71           HN       GLN  71  13.452  -6.484   5.564
  575    HA   GLN  71           HA       GLN  71  15.617  -7.437   3.854
  576   1HB   GLN  71           HB2      GLN  71  15.698  -4.990   3.454
  577   2HB   GLN  71           HB1      GLN  71  15.877  -4.723   5.186
  578   1HG   GLN  71           HG2      GLN  71  17.999  -5.842   5.228
  579   2HG   GLN  71           HG1      GLN  71  17.779  -6.449   3.584
  580   1HE2  GLN  71          HE22      GLN  71  18.046  -2.388   3.512
  581   2HE2  GLN  71          HE21      GLN  71  16.787  -3.162   4.347
  582    H    ALA  72           HN       ALA  72  16.351  -5.538   6.693
  583    HA   ALA  72           HA       ALA  72  17.269  -7.966   8.069
  584   1HB   ALA  72           HB1      ALA  72  18.570  -5.818   8.102
  585   2HB   ALA  72           HB3      ALA  72  17.269  -5.097   9.050
  586   3HB   ALA  72           HB2      ALA  72  18.200  -6.440   9.712
  587    H    GLY  73           HN       GLY  73  14.688  -8.414   7.882
  588   1HA   GLY  73           HA2      GLY  73  13.742  -8.381  10.615
  589   2HA   GLY  73           HA1      GLY  73  12.833  -7.252   9.613
  590    H    GLU  74           HN       GLU  74  11.095  -8.904  10.307
  591    HA   GLU  74           HA       GLU  74  11.131 -11.400   8.697
  592   1HB   GLU  74           HB2      GLU  74  10.351 -11.233  11.154
  593   2HB   GLU  74           HB1      GLU  74   8.901 -10.459  10.511
  594   1HG   GLU  74           HG2      GLU  74   8.580 -12.445   9.009
  595   2HG   GLU  74           HG1      GLU  74   9.938 -13.226   9.823
   
  No H/Q in entry =         595
  Start of MODEL           9
 Raw file had  612 H/Q atoms
  Start of MODEL    9
    1   1H    CYS   1           HT3      CYS   1  15.000  18.768   6.035
    2   2H    CYS   1           HT2      CYS   1  14.401  20.241   5.439
    3   3H    CYS   1           HT1      CYS   1  14.438  19.950   7.113
    4    HA   CYS   1           HA       CYS   1  12.347  19.270   6.953
    5   1HB   CYS   1           HB2      CYS   1  11.225  19.038   4.804
    6   2HB   CYS   1           HB1      CYS   1  12.265  20.461   4.755
    7    HG   CYS   1           HG       CYS   1  13.188  19.370   2.719
    8    H    SER   2           HN       SER   2  11.253  17.238   7.015
    9    HA   SER   2           HA       SER   2  13.060  14.936   6.972
   10   1HB   SER   2           HB2      SER   2  10.114  15.197   7.624
   11   2HB   SER   2           HB1      SER   2  11.030  13.701   7.776
   12    HG   SER   2           HG       SER   2  12.451  15.541   8.972
   13    H    ASN   3           HN       ASN   3  12.863  13.115   5.615
   14    HA   ASN   3           HA       ASN   3  11.700  13.669   2.971
   15   1HB   ASN   3           HB2      ASN   3  13.406  11.458   4.123
   16   2HB   ASN   3           HB1      ASN   3  12.669  11.295   2.528
   17   1HD2  ASN   3          HD22      ASN   3  16.028  12.828   2.031
   18   2HD2  ASN   3          HD21      ASN   3  15.452  11.349   2.632
   19    H    GLU   4           HN       GLU   4   9.801  12.805   2.216
   20    HA   GLU   4           HA       GLU   4   8.021  11.452   4.058
   21   1HB   GLU   4           HB2      GLU   4   7.827  11.893   1.061
   22   2HB   GLU   4           HB1      GLU   4   6.522  11.263   2.068
   23   1HG   GLU   4           HG2      GLU   4   6.156  13.634   1.798
   24   2HG   GLU   4           HG1      GLU   4   6.689  13.362   3.457
   25    H    LYS   5           HN       LYS   5   7.451   9.257   4.091
   26    HA   LYS   5           HA       LYS   5   7.917   6.964   3.916
   27   1HB   LYS   5           HB2      LYS   5   8.411   7.589   1.010
   28   2HB   LYS   5           HB1      LYS   5   7.820   6.080   1.698
   29   1HG   LYS   5           HG2      LYS   5   6.362   8.741   1.718
   30   2HG   LYS   5           HG1      LYS   5   5.975   7.365   0.697
   31   1HD   LYS   5           HD2      LYS   5   5.728   7.512   3.712
   32   2HD   LYS   5           HD1      LYS   5   4.427   7.369   2.541
   33   1HE   LYS   5           HE2      LYS   5   5.669   5.172   1.810
   34   2HE   LYS   5           HE1      LYS   5   6.409   5.281   3.406
   35   1HZ   LYS   5           HZ1      LYS   5   3.811   5.758   3.927
   36   2HZ   LYS   5           HZ3      LYS   5   3.707   4.618   2.675
   37   3HZ   LYS   5           HZ2      LYS   5   4.574   4.248   4.087
   38    H    ALA   6           HN       ALA   6   9.786   6.123   1.553
   39    HA   ALA   6           HA       ALA   6  12.399   7.096   2.501
   40   1HB   ALA   6           HB3      ALA   6  11.532   4.214   2.876
   41   2HB   ALA   6           HB2      ALA   6  13.196   4.781   3.031
   42   3HB   ALA   6           HB1      ALA   6  11.959   5.360   4.146
   43    H    ARG   7           HN       ARG   7  12.697   3.976   1.269
   44    HA   ARG   7           HA       ARG   7  13.416   5.069  -1.408
   45   1HB   ARG   7           HB2      ARG   7  13.817   2.181  -0.613
   46   2HB   ARG   7           HB1      ARG   7  14.779   3.177  -1.693
   47   1HG   ARG   7           HG2      ARG   7  14.629   3.532   1.314
   48   2HG   ARG   7           HG1      ARG   7  15.920   2.695   0.460
   49   1HD   ARG   7           HD2      ARG   7  15.788   5.134  -0.888
   50   2HD   ARG   7           HD1      ARG   7  15.488   5.598   0.784
   51    HE   ARG   7           HE       ARG   7  18.023   5.031  -0.256
   52   1HH1  ARG   7          HH21      ARG   7  16.025   3.782   2.277
   53   2HH1  ARG   7          HH22      ARG   7  17.359   3.180   3.196
   54   1HH2  ARG   7          HH11      ARG   7  19.753   4.259   0.944
   55   2HH2  ARG   7          HH12      ARG   7  19.463   3.454   2.450
   56    H    ASP   8           HN       ASP   8  10.843   3.633   0.155
   57    HA   ASP   8           HA       ASP   8   9.878   1.839  -1.888
   58   1HB   ASP   8           HB2      ASP   8   8.324   3.248   0.297
   59   2HB   ASP   8           HB1      ASP   8   7.824   1.797  -0.582
   60    H    TRP   9           HN       TRP   9   7.422   2.323  -2.471
   61    HA   TRP   9           HA       TRP   9   7.414   4.376  -4.493
   62   1HB   TRP   9           HB2      TRP   9   5.215   2.710  -3.218
   63   2HB   TRP   9           HB1      TRP   9   4.959   3.771  -4.592
   64    HD1  TRP   9           HD1      TRP   9   7.864   1.250  -3.971
   65    HE1  TRP   9           HE1      TRP   9   7.954  -0.356  -5.976
   66    HE3  TRP   9           HE3      TRP   9   3.781   2.884  -6.579
   67    HZ2  TRP   9           HZ2      TRP   9   6.456  -0.926  -8.358
   68    HZ3  TRP   9           HZ3      TRP   9   3.119   1.775  -8.703
   69    HH2  TRP   9           HH2      TRP   9   4.455  -0.124  -9.595
   70    H    HIS  10           HN       HIS  10   7.397   6.530  -3.821
   71    HA   HIS  10           HA       HIS  10   6.775   7.699  -1.427
   72   1HB   HIS  10           HB2      HIS  10   5.713   8.879  -3.999
   73   2HB   HIS  10           HB1      HIS  10   6.295   9.737  -2.572
   74    HD1  HIS  10           HD1      HIS  10   7.590  10.330  -5.288
   75    HD2  HIS  10           HD2      HIS  10   9.030   7.438  -2.653
   76    HE1  HIS  10           HE1      HIS  10  10.031   9.985  -5.868
   77    H    ARG  11           HN       ARG  11   4.861   8.337  -0.278
   78    HA   ARG  11           HA       ARG  11   2.634   6.690  -0.341
   79   1HB   ARG  11           HB2      ARG  11   1.373   8.984   0.438
   80   2HB   ARG  11           HB1      ARG  11   2.419   8.051   1.499
   81   1HG   ARG  11           HG2      ARG  11   2.991  10.443   1.559
   82   2HG   ARG  11           HG1      ARG  11   4.323   9.496   0.918
   83   1HD   ARG  11           HD2      ARG  11   4.008  10.285  -1.255
   84   2HD   ARG  11           HD1      ARG  11   2.310  10.674  -0.979
   85    HE   ARG  11           HE       ARG  11   3.683  12.390   0.716
   86   1HH1  ARG  11          HH21      ARG  11   3.748  11.570  -2.627
   87   2HH1  ARG  11          HH22      ARG  11   4.257  13.143  -3.143
   88   1HH2  ARG  11          HH11      ARG  11   4.342  14.458   0.063
   89   2HH2  ARG  11          HH12      ARG  11   4.595  14.777  -1.621
   90    H    ALA  12           HN       ALA  12   3.275   9.366  -2.529
   91    HA   ALA  12           HA       ALA  12   0.581   9.212  -3.731
   92   1HB   ALA  12           HB3      ALA  12   1.878  11.374  -3.510
   93   2HB   ALA  12           HB2      ALA  12   2.999  10.749  -4.719
   94   3HB   ALA  12           HB1      ALA  12   1.309  11.024  -5.142
   95    H    ASP  13           HN       ASP  13   3.805   7.930  -4.307
   96    HA   ASP  13           HA       ASP  13   3.341   7.223  -7.074
   97   1HB   ASP  13           HB2      ASP  13   5.235   6.099  -5.004
   98   2HB   ASP  13           HB1      ASP  13   5.220   5.576  -6.687
   99    H    VAL  14           HN       VAL  14   2.372   5.981  -4.025
  100    HA   VAL  14           HA       VAL  14   1.648   3.327  -5.039
  101    HB   VAL  14           HB       VAL  14   1.140   4.785  -2.435
  102   1HG1  VAL  14          HG12      VAL  14   0.199   2.053  -3.346
  103   2HG1  VAL  14          HG11      VAL  14   0.288   2.516  -1.647
  104   3HG1  VAL  14          HG13      VAL  14  -0.793   3.377  -2.738
  105   1HG2  VAL  14          HG22      VAL  14   2.875   2.452  -3.262
  106   2HG2  VAL  14          HG21      VAL  14   3.396   4.024  -2.654
  107   3HG2  VAL  14          HG23      VAL  14   2.578   2.892  -1.579
  108    H    ILE  15           HN       ILE  15  -0.250   6.165  -3.817
  109    HA   ILE  15           HA       ILE  15  -2.738   5.093  -4.818
  110    HB   ILE  15           HB       ILE  15  -2.364   8.085  -4.602
  111   1HG1  ILE  15          HG12      ILE  15  -1.475   7.857  -2.490
  112   2HG1  ILE  15          HG11      ILE  15  -3.156   7.590  -2.052
  113   1HG2  ILE  15          HG23      ILE  15  -4.502   7.104  -5.317
  114   2HG2  ILE  15          HG22      ILE  15  -4.597   6.190  -3.811
  115   3HG2  ILE  15          HG21      ILE  15  -4.674   7.952  -3.781
  116   1HD1  ILE  15          HD13      ILE  15  -2.453   5.031  -2.585
  117   2HD1  ILE  15          HD12      ILE  15  -0.883   5.678  -2.126
  118   3HD1  ILE  15          HD11      ILE  15  -2.224   5.770  -1.009
  119    H    ALA  16           HN       ALA  16  -0.580   7.655  -6.101
  120    HA   ALA  16           HA       ALA  16  -2.020   8.212  -8.450
  121   1HB   ALA  16           HB2      ALA  16   0.084   9.373  -7.613
  122   2HB   ALA  16           HB1      ALA  16   0.998   8.042  -8.323
  123   3HB   ALA  16           HB3      ALA  16   0.022   9.090  -9.354
  124    H    GLY  17           HN       GLY  17   0.399   5.675  -7.887
  125   1HA   GLY  17           HA2      GLY  17   0.338   4.624 -10.555
  126   2HA   GLY  17           HA1      GLY  17   0.912   3.764  -9.128
  127    H    LEU  18           HN       LEU  18  -1.279   3.479  -7.564
  128    HA   LEU  18           HA       LEU  18  -2.742   1.391  -8.860
  129   1HB   LEU  18           HB2      LEU  18  -3.252   2.953  -6.314
  130   2HB   LEU  18           HB1      LEU  18  -4.263   1.600  -6.814
  131    HG   LEU  18           HG       LEU  18  -1.270   1.246  -6.633
  132   1HD1  LEU  18          HD13      LEU  18  -2.119   2.192  -4.449
  133   2HD1  LEU  18          HD12      LEU  18  -3.221   0.821  -4.348
  134   3HD1  LEU  18          HD11      LEU  18  -1.478   0.555  -4.317
  135   1HD2  LEU  18          HD23      LEU  18  -3.634  -0.621  -6.223
  136   2HD2  LEU  18          HD22      LEU  18  -2.654  -0.537  -7.683
  137   3HD2  LEU  18          HD21      LEU  18  -1.937  -1.090  -6.175
  138    H    LYS  19           HN       LYS  19  -3.919   4.577  -7.737
  139    HA   LYS  19           HA       LYS  19  -6.455   4.415  -8.971
  140   1HB   LYS  19           HB2      LYS  19  -5.613   6.171  -7.311
  141   2HB   LYS  19           HB1      LYS  19  -4.878   6.980  -8.691
  142   1HG   LYS  19           HG2      LYS  19  -7.008   7.280  -9.766
  143   2HG   LYS  19           HG1      LYS  19  -7.818   6.244  -8.595
  144   1HD   LYS  19           HD2      LYS  19  -6.360   8.698  -7.627
  145   2HD   LYS  19           HD1      LYS  19  -7.961   8.867  -8.343
  146   1HE   LYS  19           HE2      LYS  19  -8.886   7.281  -6.714
  147   2HE   LYS  19           HE1      LYS  19  -7.288   7.044  -6.009
  148   1HZ   LYS  19           HZ1      LYS  19  -7.803   9.789  -6.131
  149   2HZ   LYS  19           HZ3      LYS  19  -9.153   9.040  -5.429
  150   3HZ   LYS  19           HZ2      LYS  19  -7.611   8.812  -4.755
  151    H    LYS  20           HN       LYS  20  -3.431   4.517 -10.462
  152    HA   LYS  20           HA       LYS  20  -3.907   6.150 -12.717
  153   1HB   LYS  20           HB2      LYS  20  -1.722   4.951 -12.113
  154   2HB   LYS  20           HB1      LYS  20  -2.433   3.511 -12.836
  155   1HG   LYS  20           HG2      LYS  20  -1.274   4.415 -14.656
  156   2HG   LYS  20           HG1      LYS  20  -2.884   5.085 -14.899
  157   1HD   LYS  20           HD2      LYS  20  -2.219   7.199 -13.906
  158   2HD   LYS  20           HD1      LYS  20  -0.655   6.533 -13.431
  159   1HE   LYS  20           HE2      LYS  20  -1.588   6.691 -16.307
  160   2HE   LYS  20           HE1      LYS  20  -0.607   7.937 -15.534
  161   1HZ   LYS  20           HZ1      LYS  20   0.754   5.738 -14.892
  162   2HZ   LYS  20           HZ3      LYS  20   0.130   5.271 -16.399
  163   3HZ   LYS  20           HZ2      LYS  20   1.076   6.676 -16.271
  164    H    ARG  21           HN       ARG  21  -5.094   3.005 -11.878
  165    HA   ARG  21           HA       ARG  21  -6.432   2.736 -14.528
  166   1HB   ARG  21           HB2      ARG  21  -6.067   0.868 -12.161
  167   2HB   ARG  21           HB1      ARG  21  -7.156   0.505 -13.499
  168   1HG   ARG  21           HG2      ARG  21  -5.331   0.570 -15.089
  169   2HG   ARG  21           HG1      ARG  21  -4.217   1.140 -13.847
  170   1HD   ARG  21           HD2      ARG  21  -3.857  -1.238 -14.156
  171   2HD   ARG  21           HD1      ARG  21  -4.627  -0.993 -12.586
  172    HE   ARG  21           HE       ARG  21  -6.763  -1.435 -14.275
  173   1HH1  ARG  21          HH21      ARG  21  -3.774  -3.007 -13.585
  174   2HH1  ARG  21          HH22      ARG  21  -4.380  -4.598 -13.906
  175   1HH2  ARG  21          HH11      ARG  21  -7.577  -3.510 -14.692
  176   2HH2  ARG  21          HH12      ARG  21  -6.533  -4.881 -14.533
  177    H    LYS  22           HN       LYS  22  -7.747   1.532 -11.535
  178    HA   LYS  22           HA       LYS  22  -9.518   3.825 -11.170
  179   1HB   LYS  22           HB2      LYS  22 -10.594   1.150 -12.137
  180   2HB   LYS  22           HB1      LYS  22 -11.604   2.369 -11.363
  181   1HG   LYS  22           HG2      LYS  22 -10.678   3.996 -13.155
  182   2HG   LYS  22           HG1      LYS  22 -10.150   2.544 -14.003
  183   1HD   LYS  22           HD2      LYS  22 -12.991   3.198 -13.168
  184   2HD   LYS  22           HD1      LYS  22 -12.358   3.219 -14.814
  185   1HE   LYS  22           HE2      LYS  22 -12.769   0.833 -13.007
  186   2HE   LYS  22           HE1      LYS  22 -13.453   1.121 -14.608
  187   1HZ   LYS  22           HZ3      LYS  22 -10.848   1.254 -15.140
  188   2HZ   LYS  22           HZ2      LYS  22 -10.830   0.136 -13.860
  189   3HZ   LYS  22           HZ1      LYS  22 -11.754  -0.177 -15.251
  190    H    LEU  23           HN       LEU  23  -7.897   3.288  -9.279
  191    HA   LEU  23           HA       LEU  23  -9.347   1.548  -7.302
  192   1HB   LEU  23           HB2      LEU  23  -6.374   1.938  -7.667
  193   2HB   LEU  23           HB1      LEU  23  -7.094   1.102  -6.301
  194    HG   LEU  23           HG       LEU  23  -7.314   0.285  -9.216
  195   1HD1  LEU  23          HD12      LEU  23  -5.102  -0.107  -8.201
  196   2HD1  LEU  23          HD11      LEU  23  -5.865  -0.954  -6.856
  197   3HD1  LEU  23          HD13      LEU  23  -5.941  -1.633  -8.483
  198   1HD2  LEU  23          HD23      LEU  23  -8.651  -0.687  -6.695
  199   2HD2  LEU  23          HD22      LEU  23  -9.312  -0.541  -8.323
  200   3HD2  LEU  23          HD21      LEU  23  -8.223  -1.870  -7.932
  201    H    SER  24           HN       SER  24  -9.349   2.273  -5.171
  202    HA   SER  24           HA       SER  24  -8.055   4.831  -4.478
  203   1HB   SER  24           HB2      SER  24 -10.374   5.591  -3.547
  204   2HB   SER  24           HB1      SER  24 -10.066   5.786  -5.272
  205    HG   SER  24           HG       SER  24 -11.984   4.757  -5.174
  206    H    LEU  25           HN       LEU  25  -7.407   4.696  -2.321
  207    HA   LEU  25           HA       LEU  25  -7.548   2.313  -0.857
  208   1HB   LEU  25           HB2      LEU  25  -7.461   5.126   0.281
  209   2HB   LEU  25           HB1      LEU  25  -7.113   3.652   1.185
  210    HG   LEU  25           HG       LEU  25  -5.318   3.140  -0.534
  211   1HD1  LEU  25          HD13      LEU  25  -6.196   5.860  -1.481
  212   2HD1  LEU  25          HD12      LEU  25  -4.491   5.447  -1.587
  213   3HD1  LEU  25          HD11      LEU  25  -5.682   4.458  -2.420
  214   1HD2  LEU  25          HD22      LEU  25  -5.113   5.632   1.184
  215   2HD2  LEU  25          HD21      LEU  25  -4.752   3.978   1.675
  216   3HD2  LEU  25          HD23      LEU  25  -3.724   4.792   0.497
  217    H    SER  26           HN       SER  26 -10.017   4.719  -1.291
  218    HA   SER  26           HA       SER  26 -11.607   3.906   1.004
  219   1HB   SER  26           HB2      SER  26 -12.064   6.100   0.252
  220   2HB   SER  26           HB1      SER  26 -12.134   5.599  -1.435
  221    HG   SER  26           HG       SER  26 -13.964   4.943   0.640
  222    H    ALA  27           HN       ALA  27 -11.376   2.973  -2.376
  223    HA   ALA  27           HA       ALA  27 -13.817   1.418  -2.394
  224   1HB   ALA  27           HB2      ALA  27 -11.376   1.299  -4.182
  225   2HB   ALA  27           HB1      ALA  27 -12.894   0.456  -4.493
  226   3HB   ALA  27           HB3      ALA  27 -12.850   2.218  -4.487
  227    H    LEU  28           HN       LEU  28 -10.359   0.565  -2.087
  228    HA   LEU  28           HA       LEU  28 -10.755  -2.231  -1.779
  229   1HB   LEU  28           HB2      LEU  28  -8.543  -1.014  -0.173
  230   2HB   LEU  28           HB1      LEU  28  -8.498  -2.355  -1.314
  231    HG   LEU  28           HG       LEU  28  -8.699   0.575  -2.075
  232   1HD1  LEU  28          HD11      LEU  28  -6.517  -0.019  -1.117
  233   2HD1  LEU  28          HD13      LEU  28  -6.394  -1.376  -2.237
  234   3HD1  LEU  28          HD12      LEU  28  -6.386   0.278  -2.850
  235   1HD2  LEU  28          HD23      LEU  28  -9.749  -1.102  -3.666
  236   2HD2  LEU  28          HD22      LEU  28  -8.403  -0.189  -4.349
  237   3HD2  LEU  28          HD21      LEU  28  -8.157  -1.850  -3.809
  238    H    SER  29           HN       SER  29 -11.159   0.427   0.454
  239    HA   SER  29           HA       SER  29 -11.151  -1.135   2.871
  240   1HB   SER  29           HB2      SER  29 -11.756   0.829   3.938
  241   2HB   SER  29           HB1      SER  29 -11.082   1.488   2.450
  242    HG   SER  29           HG       SER  29 -12.988   2.276   2.080
  243    H    ARG  30           HN       ARG  30 -13.900   0.203   0.957
  244    HA   ARG  30           HA       ARG  30 -15.873  -1.229   2.490
  245   1HB   ARG  30           HB2      ARG  30 -17.416  -0.629   0.609
  246   2HB   ARG  30           HB1      ARG  30 -16.533   0.752   1.261
  247   1HG   ARG  30           HG2      ARG  30 -14.888   0.570  -0.548
  248   2HG   ARG  30           HG1      ARG  30 -15.740  -0.827  -1.204
  249   1HD   ARG  30           HD2      ARG  30 -17.043   1.884  -0.831
  250   2HD   ARG  30           HD1      ARG  30 -16.282   1.381  -2.338
  251    HE   ARG  30           HE       ARG  30 -18.053  -0.676  -1.765
  252   1HH1  ARG  30          HH21      ARG  30 -18.199   2.754  -2.075
  253   2HH1  ARG  30          HH22      ARG  30 -19.836   2.768  -2.640
  254   1HH2  ARG  30          HH11      ARG  30 -20.187  -0.679  -2.510
  255   2HH2  ARG  30          HH12      ARG  30 -20.966   0.823  -2.876
  256    H    GLN  31           HN       GLN  31 -13.809  -2.174  -0.127
  257    HA   GLN  31           HA       GLN  31 -15.452  -4.255  -1.216
  258   1HB   GLN  31           HB2      GLN  31 -12.504  -3.657  -1.204
  259   2HB   GLN  31           HB1      GLN  31 -13.047  -5.231  -1.779
  260   1HG   GLN  31           HG2      GLN  31 -14.579  -4.096  -3.378
  261   2HG   GLN  31           HG1      GLN  31 -13.954  -2.537  -2.840
  262   1HE2  GLN  31          HE22      GLN  31 -11.917  -4.621  -5.610
  263   2HE2  GLN  31          HE21      GLN  31 -13.473  -5.060  -5.090
  264    H    PHE  32           HN       PHE  32 -13.196  -4.168   1.520
  265    HA   PHE  32           HA       PHE  32 -13.878  -7.022   2.141
  266   1HB   PHE  32           HB2      PHE  32 -11.617  -5.199   3.016
  267   2HB   PHE  32           HB1      PHE  32 -11.970  -6.720   3.839
  268    HD1  PHE  32           HD1      PHE  32 -11.087  -5.231   0.532
  269    HD2  PHE  32           HD2      PHE  32 -11.365  -8.829   2.888
  270    HE1  PHE  32           HE1      PHE  32  -9.901  -6.493  -1.254
  271    HE2  PHE  32           HE2      PHE  32 -10.175 -10.090   1.102
  272    HZ   PHE  32           HZ       PHE  32  -9.445  -8.922  -0.970
  273    H    GLY  33           HN       GLY  33 -14.073  -3.720   3.393
  274   1HA   GLY  33           HA2      GLY  33 -16.188  -3.368   4.768
  275   2HA   GLY  33           HA1      GLY  33 -15.650  -4.741   5.729
  276    H    TYR  34           HN       TYR  34 -12.962  -4.218   6.088
  277    HA   TYR  34           HA       TYR  34 -12.805  -2.556   8.281
  278   1HB   TYR  34           HB2      TYR  34 -10.582  -2.642   6.232
  279   2HB   TYR  34           HB1      TYR  34 -10.437  -2.464   7.983
  280    HD1  TYR  34           HD2      TYR  34 -11.883  -4.464   9.278
  281    HD2  TYR  34           HD1      TYR  34  -9.952  -4.745   5.433
  282    HE1  TYR  34           HE2      TYR  34 -11.764  -6.940   9.516
  283    HE2  TYR  34           HE1      TYR  34  -9.835  -7.212   5.677
  284    HH   TYR  34           HH       TYR  34 -11.590  -8.974   7.570
  285    H    ALA  35           HN       ALA  35 -13.320  -0.443   8.548
  286    HA   ALA  35           HA       ALA  35 -14.018   1.377   6.593
  287   1HB   ALA  35           HB1      ALA  35 -13.052   1.611   9.399
  288   2HB   ALA  35           HB3      ALA  35 -13.030   3.100   8.455
  289   3HB   ALA  35           HB2      ALA  35 -14.540   2.217   8.681
  290    HA   PRO  36           HA       PRO  36 -10.419   2.686   4.379
  291   1HB   PRO  36           HB2      PRO  36 -10.827   5.544   4.835
  292   2HB   PRO  36           HB1      PRO  36 -11.066   4.624   3.345
  293   1HG   PRO  36           HG2      PRO  36 -13.104   5.666   5.089
  294   2HG   PRO  36           HG1      PRO  36 -13.337   4.671   3.644
  295   1HD   PRO  36           HD2      PRO  36 -13.721   3.882   6.395
  296   2HD   PRO  36           HD1      PRO  36 -13.918   2.886   4.939
  297    H    THR  37           HN       THR  37 -10.995   3.914   7.610
  298    HA   THR  37           HA       THR  37  -8.499   5.173   8.108
  299    HB   THR  37           HB       THR  37  -8.960   4.782  10.470
  300    HG1  THR  37           HG1      THR  37 -11.097   3.437  10.622
  301   1HG2  THR  37          HG23      THR  37 -11.378   5.360   8.756
  302   2HG2  THR  37          HG22      THR  37 -11.420   5.486  10.514
  303   3HG2  THR  37          HG21      THR  37 -10.328   6.508   9.584
  304    H    THR  38           HN       THR  38  -9.486   1.788   8.554
  305    HA   THR  38           HA       THR  38  -7.050   0.750   9.540
  306    HB   THR  38           HB       THR  38  -9.182  -0.495   7.782
  307    HG1  THR  38           HG1      THR  38  -8.883  -1.373  10.330
  308   1HG2  THR  38          HG21      THR  38  -6.689  -1.662   8.991
  309   2HG2  THR  38          HG23      THR  38  -8.143  -2.653   8.849
  310   3HG2  THR  38          HG22      THR  38  -7.403  -1.962   7.406
  311    H    LEU  39           HN       LEU  39  -8.170   0.731   6.131
  312    HA   LEU  39           HA       LEU  39  -5.871  -0.300   4.971
  313   1HB   LEU  39           HB2      LEU  39  -8.246   0.807   4.050
  314   2HB   LEU  39           HB1      LEU  39  -7.055   1.915   3.398
  315    HG   LEU  39           HG       LEU  39  -7.294   0.295   1.711
  316   1HD1  LEU  39          HD11      LEU  39  -4.836   0.565   2.857
  317   2HD1  LEU  39          HD13      LEU  39  -5.041  -1.182   3.013
  318   3HD1  LEU  39          HD12      LEU  39  -5.127  -0.416   1.429
  319   1HD2  LEU  39          HD22      LEU  39  -8.628  -1.293   3.089
  320   2HD2  LEU  39          HD21      LEU  39  -7.407  -2.115   2.125
  321   3HD2  LEU  39          HD23      LEU  39  -7.142  -1.863   3.847
  322    H    ALA  40           HN       ALA  40  -6.538   3.223   5.254
  323    HA   ALA  40           HA       ALA  40  -3.992   4.087   4.414
  324   1HB   ALA  40           HB3      ALA  40  -5.900   5.622   4.735
  325   2HB   ALA  40           HB2      ALA  40  -5.801   5.383   6.479
  326   3HB   ALA  40           HB1      ALA  40  -4.484   6.186   5.628
  327    H    ASN  41           HN       ASN  41  -5.113   3.416   7.746
  328    HA   ASN  41           HA       ASN  41  -2.702   4.023   9.089
  329   1HB   ASN  41           HB2      ASN  41  -4.986   3.462  10.101
  330   2HB   ASN  41           HB1      ASN  41  -4.543   1.763   9.891
  331   1HD2  ASN  41          HD22      ASN  41  -3.018   1.946  13.074
  332   2HD2  ASN  41          HD21      ASN  41  -4.216   1.224  12.111
  333    H    ALA  42           HN       ALA  42  -3.163   1.632   6.757
  334    HA   ALA  42           HA       ALA  42  -1.511  -0.453   7.897
  335   1HB   ALA  42           HB1      ALA  42  -3.113  -0.805   6.009
  336   2HB   ALA  42           HB3      ALA  42  -2.031   0.123   4.968
  337   3HB   ALA  42           HB2      ALA  42  -1.491  -1.406   5.664
  338    H    LEU  43           HN       LEU  43  -0.754   2.617   6.582
  339    HA   LEU  43           HA       LEU  43   1.959   1.835   5.711
  340   1HB   LEU  43           HB2      LEU  43   0.815   4.627   6.016
  341   2HB   LEU  43           HB1      LEU  43   2.230   4.151   5.080
  342    HG   LEU  43           HG       LEU  43  -0.583   3.175   4.523
  343   1HD1  LEU  43          HD13      LEU  43   1.038   5.391   3.233
  344   2HD1  LEU  43          HD12      LEU  43  -0.466   4.747   2.577
  345   3HD1  LEU  43          HD11      LEU  43  -0.467   5.575   4.133
  346   1HD2  LEU  43          HD21      LEU  43   2.101   2.848   3.160
  347   2HD2  LEU  43          HD23      LEU  43   0.928   1.604   3.592
  348   3HD2  LEU  43          HD22      LEU  43   0.600   2.693   2.247
  349    H    GLU  44           HN       GLU  44   0.418   2.743   8.633
  350    HA   GLU  44           HA       GLU  44   2.883   3.931   9.790
  351   1HB   GLU  44           HB2      GLU  44   0.156   3.494  11.038
  352   2HB   GLU  44           HB1      GLU  44   1.489   4.413  11.744
  353   1HG   GLU  44           HG2      GLU  44   0.317   5.096   9.040
  354   2HG   GLU  44           HG1      GLU  44  -0.308   5.782  10.541
  355    H    ARG  45           HN       ARG  45   0.582   1.746  11.381
  356    HA   ARG  45           HA       ARG  45   2.684   0.515  12.915
  357   1HB   ARG  45           HB2      ARG  45   0.917  -0.960  13.767
  358   2HB   ARG  45           HB1      ARG  45   0.362   0.715  13.737
  359   1HG   ARG  45           HG2      ARG  45  -0.701   0.250  11.504
  360   2HG   ARG  45           HG1      ARG  45  -0.281  -1.450  11.712
  361   1HD   ARG  45           HD2      ARG  45  -1.987   0.177  13.621
  362   2HD   ARG  45           HD1      ARG  45  -2.604  -0.991  12.448
  363    HE   ARG  45           HE       ARG  45  -0.832  -2.502  13.894
  364   1HH1  ARG  45          HH21      ARG  45  -3.361  -0.298  14.703
  365   2HH1  ARG  45          HH22      ARG  45  -3.825  -1.149  16.137
  366   1HH2  ARG  45          HH11      ARG  45  -1.441  -3.639  15.753
  367   2HH2  ARG  45          HH12      ARG  45  -2.745  -3.046  16.728
  368    H    HIS  46           HN       HIS  46   2.799  -1.961  13.028
  369    HA   HIS  46           HA       HIS  46   3.634  -2.942  10.392
  370   1HB   HIS  46           HB2      HIS  46   4.976  -3.425  12.417
  371   2HB   HIS  46           HB1      HIS  46   3.610  -4.310  13.105
  372    HD1  HIS  46           HD1      HIS  46   5.971  -4.434  10.132
  373    HD2  HIS  46           HD2      HIS  46   3.388  -6.947  12.229
  374    HE1  HIS  46           HE1      HIS  46   6.316  -6.759   9.193
  375    H    TRP  47           HN       TRP  47   2.103  -3.751   9.070
  376    HA   TRP  47           HA       TRP  47   0.386  -5.922   9.951
  377   1HB   TRP  47           HB2      TRP  47  -0.903  -3.942  10.730
  378   2HB   TRP  47           HB1      TRP  47  -0.896  -3.311   9.084
  379    HD1  TRP  47           HD1      TRP  47  -1.634  -6.907  10.366
  380    HE1  TRP  47           HE1      TRP  47  -3.914  -7.624   9.417
  381    HE3  TRP  47           HE3      TRP  47  -2.964  -2.608   7.946
  382    HZ2  TRP  47           HZ2      TRP  47  -6.038  -6.526   7.842
  383    HZ3  TRP  47           HZ3      TRP  47  -5.127  -2.464   6.731
  384    HH2  TRP  47           HH2      TRP  47  -6.668  -4.418   6.677
  385    HA   PRO  48           HA       PRO  48   2.019  -5.687   5.582
  386   1HB   PRO  48           HB2      PRO  48   2.385  -8.590   5.884
  387   2HB   PRO  48           HB1      PRO  48   3.592  -7.348   5.515
  388   1HG   PRO  48           HG2      PRO  48   3.353  -8.705   7.977
  389   2HG   PRO  48           HG1      PRO  48   4.270  -7.211   7.710
  390   1HD   PRO  48           HD2      PRO  48   1.708  -7.572   9.113
  391   2HD   PRO  48           HD1      PRO  48   2.801  -6.165   9.133
  392    H    LYS  49           HN       LYS  49  -0.479  -7.539   7.172
  393    HA   LYS  49           HA       LYS  49  -1.540  -8.780   4.787
  394   1HB   LYS  49           HB2      LYS  49  -2.042  -9.530   7.117
  395   2HB   LYS  49           HB1      LYS  49  -3.014  -8.076   7.340
  396   1HG   LYS  49           HG2      LYS  49  -4.756  -8.877   6.065
  397   2HG   LYS  49           HG1      LYS  49  -3.686  -9.639   4.890
  398   1HD   LYS  49           HD2      LYS  49  -3.360 -11.550   6.265
  399   2HD   LYS  49           HD1      LYS  49  -4.063 -10.752   7.673
  400   1HE   LYS  49           HE2      LYS  49  -5.608 -11.340   5.133
  401   2HE   LYS  49           HE1      LYS  49  -5.609 -12.397   6.547
  402   1HZ   LYS  49           HZ3      LYS  49  -6.103  -9.865   7.508
  403   2HZ   LYS  49           HZ2      LYS  49  -7.056  -9.995   6.107
  404   3HZ   LYS  49           HZ1      LYS  49  -7.220 -11.133   7.359
  405    H    GLY  50           HN       GLY  50  -1.713  -5.569   6.091
  406   1HA   GLY  50           HA2      GLY  50  -4.151  -4.805   4.669
  407   2HA   GLY  50           HA1      GLY  50  -3.001  -3.692   5.422
  408    H    GLU  51           HN       GLU  51  -0.690  -4.849   4.052
  409    HA   GLU  51           HA       GLU  51  -0.809  -3.275   1.629
  410   1HB   GLU  51           HB2      GLU  51   1.248  -5.394   2.303
  411   2HB   GLU  51           HB1      GLU  51   1.454  -3.978   1.276
  412   1HG   GLU  51           HG2      GLU  51   1.007  -2.547   3.307
  413   2HG   GLU  51           HG1      GLU  51   1.073  -4.017   4.276
  414    H    GLN  52           HN       GLN  52  -1.329  -6.633   2.482
  415    HA   GLN  52           HA       GLN  52  -1.135  -7.776  -0.132
  416   1HB   GLN  52           HB2      GLN  52  -2.624  -8.551   2.375
  417   2HB   GLN  52           HB1      GLN  52  -2.848  -9.468   0.887
  418   1HG   GLN  52           HG2      GLN  52  -0.072  -8.883   1.920
  419   2HG   GLN  52           HG1      GLN  52  -0.999 -10.236   2.562
  420   1HE2  GLN  52          HE22      GLN  52  -1.171 -11.676  -0.900
  421   2HE2  GLN  52          HE21      GLN  52  -2.329 -11.117   0.210
  422    H    ILE  53           HN       ILE  53  -3.894  -6.324   1.628
  423    HA   ILE  53           HA       ILE  53  -5.897  -6.814  -0.312
  424    HB   ILE  53           HB       ILE  53  -5.627  -4.215   1.234
  425   1HG1  ILE  53          HG12      ILE  53  -6.868  -6.827   2.183
  426   2HG1  ILE  53          HG11      ILE  53  -5.307  -6.211   2.726
  427   1HG2  ILE  53          HG23      ILE  53  -7.437  -4.636  -0.597
  428   2HG2  ILE  53          HG22      ILE  53  -8.160  -5.722   0.588
  429   3HG2  ILE  53          HG21      ILE  53  -7.959  -4.016   0.964
  430   1HD1  ILE  53          HD11      ILE  53  -6.471  -4.118   3.491
  431   2HD1  ILE  53          HD13      ILE  53  -8.009  -4.888   3.104
  432   3HD1  ILE  53          HD12      ILE  53  -6.977  -5.567   4.359
  433    H    ILE  54           HN       ILE  54  -3.599  -4.098  -0.063
  434    HA   ILE  54           HA       ILE  54  -4.442  -2.777  -2.471
  435    HB   ILE  54           HB       ILE  54  -1.832  -2.748  -0.936
  436   1HG1  ILE  54          HG12      ILE  54  -4.090  -0.734  -1.138
  437   2HG1  ILE  54          HG11      ILE  54  -3.916  -1.910   0.164
  438   1HG2  ILE  54          HG21      ILE  54  -2.704  -1.249  -3.402
  439   2HG2  ILE  54          HG23      ILE  54  -1.586  -0.507  -2.257
  440   3HG2  ILE  54          HG22      ILE  54  -1.152  -2.012  -3.060
  441   1HD1  ILE  54          HD11      ILE  54  -1.436  -0.794   0.258
  442   2HD1  ILE  54          HD13      ILE  54  -2.356   0.585  -0.350
  443   3HD1  ILE  54          HD12      ILE  54  -2.799  -0.164   1.180
  444    H    ALA  55           HN       ALA  55  -1.520  -4.790  -1.899
  445    HA   ALA  55           HA       ALA  55  -0.676  -4.884  -4.591
  446   1HB   ALA  55           HB2      ALA  55  -0.329  -6.822  -2.300
  447   2HB   ALA  55           HB1      ALA  55   0.417  -7.091  -3.875
  448   3HB   ALA  55           HB3      ALA  55   0.841  -5.663  -2.933
  449    H    ASN  56           HN       ASN  56  -3.173  -6.721  -2.939
  450    HA   ASN  56           HA       ASN  56  -3.477  -8.831  -4.815
  451   1HB   ASN  56           HB2      ASN  56  -5.475  -7.421  -3.034
  452   2HB   ASN  56           HB1      ASN  56  -5.901  -8.809  -4.028
  453   1HD2  ASN  56          HD22      ASN  56  -4.983 -10.478  -0.951
  454   2HD2  ASN  56          HD21      ASN  56  -6.308  -9.744  -1.717
  455    H    ALA  57           HN       ALA  57  -4.664  -5.498  -4.809
  456    HA   ALA  57           HA       ALA  57  -6.439  -5.725  -7.025
  457   1HB   ALA  57           HB3      ALA  57  -5.985  -3.735  -5.360
  458   2HB   ALA  57           HB2      ALA  57  -4.832  -3.219  -6.589
  459   3HB   ALA  57           HB1      ALA  57  -6.539  -3.393  -6.999
  460    H    LEU  58           HN       LEU  58  -2.935  -5.022  -6.962
  461    HA   LEU  58           HA       LEU  58  -2.871  -4.858  -9.908
  462   1HB   LEU  58           HB2      LEU  58  -0.640  -4.819  -7.854
  463   2HB   LEU  58           HB1      LEU  58  -0.449  -4.500  -9.571
  464    HG   LEU  58           HG       LEU  58  -2.193  -2.883  -7.691
  465   1HD1  LEU  58          HD12      LEU  58   0.533  -2.317  -8.899
  466   2HD1  LEU  58          HD11      LEU  58  -0.429  -1.142  -8.005
  467   3HD1  LEU  58          HD13      LEU  58   0.183  -2.582  -7.192
  468   1HD2  LEU  58          HD22      LEU  58  -1.613  -2.773 -10.649
  469   2HD2  LEU  58          HD21      LEU  58  -3.146  -2.552  -9.808
  470   3HD2  LEU  58          HD23      LEU  58  -1.937  -1.272  -9.781
  471    H    GLU  59           HN       GLU  59  -3.350  -7.376  -8.011
  472    HA   GLU  59           HA       GLU  59  -2.834  -9.663  -8.110
  473   1HB   GLU  59           HB2      GLU  59  -2.429  -8.680 -10.924
  474   2HB   GLU  59           HB1      GLU  59  -2.049 -10.353 -10.524
  475   1HG   GLU  59           HG2      GLU  59  -4.696  -9.096  -9.780
  476   2HG   GLU  59           HG1      GLU  59  -4.432  -9.879 -11.332
  477    H    THR  60           HN       THR  60  -0.645  -7.556  -7.542
  478    HA   THR  60           HA       THR  60   1.736  -9.268  -8.177
  479    HB   THR  60           HB       THR  60   1.654  -6.831  -8.993
  480    HG1  THR  60           HG1      THR  60   3.847  -7.006  -7.354
  481   1HG2  THR  60          HG23      THR  60   0.794  -6.138  -6.575
  482   2HG2  THR  60          HG22      THR  60   2.520  -6.093  -6.217
  483   3HG2  THR  60          HG21      THR  60   1.859  -5.065  -7.487
  484    H    LYS  61           HN       LYS  61   3.507  -8.447  -6.309
  485    HA   LYS  61           HA       LYS  61   2.238  -9.323  -3.756
  486   1HB   LYS  61           HB2      LYS  61   5.193  -9.429  -4.365
  487   2HB   LYS  61           HB1      LYS  61   4.282 -10.382  -3.195
  488   1HG   LYS  61           HG2      LYS  61   4.412 -11.985  -4.853
  489   2HG   LYS  61           HG1      LYS  61   2.984 -11.150  -5.448
  490   1HD   LYS  61           HD2      LYS  61   4.280 -11.155  -7.380
  491   2HD   LYS  61           HD1      LYS  61   4.791  -9.621  -6.679
  492   1HE   LYS  61           HE2      LYS  61   6.706 -10.812  -5.590
  493   2HE   LYS  61           HE1      LYS  61   6.228 -12.283  -6.436
  494   1HZ   LYS  61           HZ3      LYS  61   6.312 -10.597  -8.467
  495   2HZ   LYS  61           HZ2      LYS  61   7.473  -9.861  -7.470
  496   3HZ   LYS  61           HZ1      LYS  61   7.668 -11.477  -7.956
  497    HA   PRO  62           HA       PRO  62   3.159  -5.350  -1.991
  498   1HB   PRO  62           HB2      PRO  62   4.101  -6.352   0.554
  499   2HB   PRO  62           HB1      PRO  62   2.499  -5.714   0.172
  500   1HG   PRO  62           HG2      PRO  62   3.276  -8.500   0.589
  501   2HG   PRO  62           HG1      PRO  62   1.649  -7.827   0.410
  502   1HD   PRO  62           HD2      PRO  62   3.047  -9.391  -1.521
  503   2HD   PRO  62           HD1      PRO  62   1.531  -8.503  -1.772
  504    H    GLU  63           HN       GLU  63   5.472  -7.972  -1.931
  505    HA   GLU  63           HA       GLU  63   7.804  -6.564  -1.116
  506   1HB   GLU  63           HB2      GLU  63   7.409  -8.926  -2.969
  507   2HB   GLU  63           HB1      GLU  63   9.005  -8.325  -2.518
  508   1HG   GLU  63           HG2      GLU  63   8.356 -10.151  -1.022
  509   2HG   GLU  63           HG1      GLU  63   8.419  -8.637  -0.125
  510    H    VAL  64           HN       VAL  64   5.869  -6.065  -3.852
  511    HA   VAL  64           HA       VAL  64   8.109  -5.096  -5.555
  512    HB   VAL  64           HB       VAL  64   5.125  -5.110  -6.094
  513   1HG1  VAL  64          HG13      VAL  64   7.571  -4.637  -7.814
  514   2HG1  VAL  64          HG12      VAL  64   5.976  -4.973  -8.485
  515   3HG1  VAL  64          HG11      VAL  64   6.237  -3.524  -7.515
  516   1HG2  VAL  64          HG21      VAL  64   7.309  -7.095  -6.781
  517   2HG2  VAL  64          HG23      VAL  64   5.870  -7.393  -5.806
  518   3HG2  VAL  64          HG22      VAL  64   5.715  -7.093  -7.538
  519    H    ILE  65           HN       ILE  65   5.316  -3.855  -3.751
  520    HA   ILE  65           HA       ILE  65   5.815  -1.111  -4.674
  521    HB   ILE  65           HB       ILE  65   3.876  -2.252  -2.660
  522   1HG1  ILE  65          HG12      ILE  65   3.091  -1.014  -5.288
  523   2HG1  ILE  65          HG11      ILE  65   3.769  -2.641  -5.314
  524   1HG2  ILE  65          HG23      ILE  65   4.276   0.555  -3.702
  525   2HG2  ILE  65          HG22      ILE  65   2.767   0.022  -2.959
  526   3HG2  ILE  65          HG21      ILE  65   4.262   0.018  -2.021
  527   1HD1  ILE  65          HD13      ILE  65   2.063  -3.343  -3.623
  528   2HD1  ILE  65          HD12      ILE  65   1.338  -1.738  -3.732
  529   3HD1  ILE  65          HD11      ILE  65   1.344  -2.802  -5.138
  530    H    TRP  66           HN       TRP  66   6.978  -3.106  -2.096
  531    HA   TRP  66           HA       TRP  66   8.170  -0.667  -0.810
  532   1HB   TRP  66           HB2      TRP  66   6.842  -3.009   0.581
  533   2HB   TRP  66           HB1      TRP  66   7.909  -1.873   1.412
  534    HD1  TRP  66           HD1      TRP  66   7.116   0.698   1.520
  535    HE1  TRP  66           HE1      TRP  66   4.784   1.772   1.385
  536    HE3  TRP  66           HE3      TRP  66   4.464  -3.245  -0.347
  537    HZ2  TRP  66           HZ2      TRP  66   2.123   1.055   0.592
  538    HZ3  TRP  66           HZ3      TRP  66   2.023  -3.027  -0.778
  539    HH2  TRP  66           HH2      TRP  66   0.852  -0.885  -0.311
  540    HA   PRO  67           HA       PRO  67  11.314  -4.037  -1.728
  541   1HB   PRO  67           HB2      PRO  67  12.933  -2.361  -3.319
  542   2HB   PRO  67           HB1      PRO  67  11.780  -3.560  -3.931
  543   1HG   PRO  67           HG2      PRO  67  11.535  -0.608  -3.882
  544   2HG   PRO  67           HG1      PRO  67  10.653  -1.784  -4.869
  545   1HD   PRO  67           HD2      PRO  67   9.637  -0.405  -2.596
  546   2HD   PRO  67           HD1      PRO  67   8.880  -1.787  -3.414
  547    H    SER  68           HN       SER  68  11.302  -0.732  -0.626
  548    HA   SER  68           HA       SER  68  13.978  -0.337   0.141
  549   1HB   SER  68           HB2      SER  68  11.977   1.269   0.358
  550   2HB   SER  68           HB1      SER  68  11.665   0.482   1.899
  551    HG   SER  68           HG       SER  68  14.204   0.965   1.914
  552    H    ARG  69           HN       ARG  69  11.403  -2.053   1.912
  553    HA   ARG  69           HA       ARG  69  13.382  -2.824   3.996
  554   1HB   ARG  69           HB2      ARG  69  10.372  -3.042   3.767
  555   2HB   ARG  69           HB1      ARG  69  11.260  -3.876   5.039
  556   1HG   ARG  69           HG2      ARG  69  11.667  -0.919   4.570
  557   2HG   ARG  69           HG1      ARG  69  10.297  -1.481   5.516
  558   1HD   ARG  69           HD2      ARG  69  13.235  -1.893   6.102
  559   2HD   ARG  69           HD1      ARG  69  12.079  -0.990   7.063
  560    HE   ARG  69           HE       ARG  69  12.655  -3.792   7.267
  561   1HH1  ARG  69          HH21      ARG  69   9.957  -1.632   7.213
  562   2HH1  ARG  69          HH22      ARG  69   8.871  -2.784   7.914
  563   1HH2  ARG  69          HH11      ARG  69  11.259  -5.271   8.205
  564   2HH2  ARG  69          HH12      ARG  69   9.608  -4.830   8.487
  565    H    TYR  70           HN       TYR  70  11.751  -4.105   1.214
  566    HA   TYR  70           HA       TYR  70  12.465  -6.921   1.980
  567   1HB   TYR  70           HB2      TYR  70  10.638  -5.735  -0.133
  568   2HB   TYR  70           HB1      TYR  70  11.079  -7.442  -0.111
  569    HD1  TYR  70           HD2      TYR  70  10.869  -8.572   2.349
  570    HD2  TYR  70           HD1      TYR  70   8.652  -5.164   0.947
  571    HE1  TYR  70           HE2      TYR  70   9.114  -9.008   4.055
  572    HE2  TYR  70           HE1      TYR  70   6.892  -5.593   2.650
  573    HH   TYR  70           HH       TYR  70   7.342  -7.609   5.271
  574    H    GLN  71           HN       GLN  71  13.820  -8.160   0.575
  575    HA   GLN  71           HA       GLN  71  14.873  -6.972  -1.884
  576   1HB   GLN  71           HB2      GLN  71  16.200  -5.884  -0.010
  577   2HB   GLN  71           HB1      GLN  71  16.837  -7.489   0.358
  578   1HG   GLN  71           HG2      GLN  71  17.618  -7.671  -2.011
  579   2HG   GLN  71           HG1      GLN  71  17.095  -6.007  -2.273
  580   1HE2  GLN  71          HE22      GLN  71  20.080  -4.702  -0.973
  581   2HE2  GLN  71          HE21      GLN  71  18.727  -4.493  -1.976
  582    H    ALA  72           HN       ALA  72  13.760  -9.104  -2.365
  583    HA   ALA  72           HA       ALA  72  15.704 -11.124  -2.922
  584   1HB   ALA  72           HB1      ALA  72  13.875 -11.645  -0.560
  585   2HB   ALA  72           HB3      ALA  72  14.719 -12.923  -1.436
  586   3HB   ALA  72           HB2      ALA  72  15.636 -11.688  -0.574
  587    H    GLY  73           HN       GLY  73  14.774 -11.259  -4.952
  588   1HA   GLY  73           HA2      GLY  73  12.581 -12.967  -5.405
  589   2HA   GLY  73           HA1      GLY  73  11.944 -11.323  -5.440
  590    H    GLU  74           HN       GLU  74  15.109 -12.510  -6.548
  591    HA   GLU  74           HA       GLU  74  14.319 -12.016  -9.369
  592   1HB   GLU  74           HB2      GLU  74  16.416 -10.635  -9.684
  593   2HB   GLU  74           HB1      GLU  74  15.163  -9.846  -8.725
  594   1HG   GLU  74           HG2      GLU  74  16.289 -10.399  -6.665
  595   2HG   GLU  74           HG1      GLU  74  17.453 -11.418  -7.514
   
  No H/Q in entry =         595
  Start of MODEL          10
 Raw file had  612 H/Q atoms
  Start of MODEL   10
    1   1H    CYS   1           HT1      CYS   1   8.932  20.505   4.643
    2   2H    CYS   1           HT3      CYS   1   9.391  21.730   3.565
    3   3H    CYS   1           HT2      CYS   1   8.476  22.114   4.945
    4    HA   CYS   1           HA       CYS   1   6.539  21.234   4.103
    5   1HB   CYS   1           HB2      CYS   1   6.406  22.071   1.733
    6   2HB   CYS   1           HB1      CYS   1   7.089  23.240   2.862
    7    HG   CYS   1           HG       CYS   1   9.321  21.630   1.638
    8    H    SER   2           HN       SER   2   5.643  19.330   3.475
    9    HA   SER   2           HA       SER   2   5.472  17.158   2.616
   10   1HB   SER   2           HB2      SER   2   5.250  17.877   0.428
   11   2HB   SER   2           HB1      SER   2   6.761  18.779   0.464
   12    HG   SER   2           HG       SER   2   6.759  15.970   0.640
   13    H    ASN   3           HN       ASN   3   6.773  15.204   1.963
   14    HA   ASN   3           HA       ASN   3   9.430  15.231   3.350
   15   1HB   ASN   3           HB2      ASN   3   7.747  13.724   4.336
   16   2HB   ASN   3           HB1      ASN   3   7.530  12.934   2.774
   17   1HD2  ASN   3          HD22      ASN   3  11.387  12.442   3.953
   18   2HD2  ASN   3          HD21      ASN   3  10.762  13.984   3.608
   19    H    GLU   4           HN       GLU   4   7.785  14.523   0.347
   20    HA   GLU   4           HA       GLU   4   8.655  14.110  -1.787
   21   1HB   GLU   4           HB2      GLU   4  10.539  15.689  -0.773
   22   2HB   GLU   4           HB1      GLU   4  11.481  14.202  -0.745
   23   1HG   GLU   4           HG2      GLU   4  11.984  15.054  -2.869
   24   2HG   GLU   4           HG1      GLU   4  10.671  13.935  -3.229
   25    H    LYS   5           HN       LYS   5   9.548  12.282  -2.963
   26    HA   LYS   5           HA       LYS   5   9.147   9.768  -1.839
   27   1HB   LYS   5           HB2      LYS   5  10.469   8.844  -3.680
   28   2HB   LYS   5           HB1      LYS   5   9.479  10.181  -4.270
   29   1HG   LYS   5           HG2      LYS   5  11.552  11.666  -3.777
   30   2HG   LYS   5           HG1      LYS   5  12.448  10.147  -3.712
   31   1HD   LYS   5           HD2      LYS   5  10.722  10.992  -6.059
   32   2HD   LYS   5           HD1      LYS   5  12.463  11.247  -5.978
   33   1HE   LYS   5           HE2      LYS   5  11.018   8.580  -5.927
   34   2HE   LYS   5           HE1      LYS   5  12.040   9.205  -7.220
   35   1HZ   LYS   5           HZ1      LYS   5  13.618   9.365  -5.009
   36   2HZ   LYS   5           HZ3      LYS   5  12.787   7.903  -4.781
   37   3HZ   LYS   5           HZ2      LYS   5  13.691   8.154  -6.199
   38    H    ALA   6           HN       ALA   6  10.878   8.057  -1.399
   39    HA   ALA   6           HA       ALA   6  13.434   9.063  -0.365
   40   1HB   ALA   6           HB3      ALA   6  11.350   7.887   1.499
   41   2HB   ALA   6           HB2      ALA   6  13.014   8.264   1.939
   42   3HB   ALA   6           HB1      ALA   6  11.906   9.560   1.500
   43    H    ARG   7           HN       ARG   7  11.695   6.236   0.825
   44    HA   ARG   7           HA       ARG   7  13.812   4.512  -0.329
   45   1HB   ARG   7           HB2      ARG   7  11.655   4.113   1.745
   46   2HB   ARG   7           HB1      ARG   7  12.427   2.715   1.001
   47   1HG   ARG   7           HG2      ARG   7  13.554   3.337   3.095
   48   2HG   ARG   7           HG1      ARG   7  14.630   3.538   1.713
   49   1HD   ARG   7           HD2      ARG   7  14.368   5.905   1.718
   50   2HD   ARG   7           HD1      ARG   7  12.980   5.826   2.803
   51    HE   ARG   7           HE       ARG   7  15.040   4.705   4.283
   52   1HH1  ARG   7          HH21      ARG   7  14.565   7.609   2.489
   53   2HH1  ARG   7          HH22      ARG   7  15.569   8.572   3.521
   54   1HH2  ARG   7          HH11      ARG   7  16.365   5.938   5.634
   55   2HH2  ARG   7          HH12      ARG   7  16.597   7.622   5.297
   56    H    ASP   8           HN       ASP   8  10.651   3.247   0.188
   57    HA   ASP   8           HA       ASP   8  10.560   2.138  -2.475
   58   1HB   ASP   8           HB2      ASP   8   8.275   2.187  -0.509
   59   2HB   ASP   8           HB1      ASP   8   8.664   0.967  -1.728
   60    H    TRP   9           HN       TRP   9   7.648   2.275  -2.589
   61    HA   TRP   9           HA       TRP   9   7.308   4.414  -4.475
   62   1HB   TRP   9           HB2      TRP   9   5.299   2.631  -3.038
   63   2HB   TRP   9           HB1      TRP   9   4.913   3.680  -4.394
   64    HD1  TRP   9           HD1      TRP   9   7.922   1.213  -3.974
   65    HE1  TRP   9           HE1      TRP   9   7.943  -0.348  -6.004
   66    HE3  TRP   9           HE3      TRP   9   3.663   2.784  -6.332
   67    HZ2  TRP   9           HZ2      TRP   9   6.354  -0.910  -8.314
   68    HZ3  TRP   9           HZ3      TRP   9   2.923   1.693  -8.442
   69    HH2  TRP   9           HH2      TRP   9   4.264  -0.154  -9.432
   70    H    HIS  10           HN       HIS  10   7.168   6.546  -3.807
   71    HA   HIS  10           HA       HIS  10   6.689   7.512  -1.227
   72   1HB   HIS  10           HB2      HIS  10   7.392   8.917  -3.182
   73   2HB   HIS  10           HB1      HIS  10   5.736   8.834  -3.788
   74    HD1  HIS  10           HD1      HIS  10   7.485   9.821  -0.530
   75    HD2  HIS  10           HD2      HIS  10   4.181  10.902  -2.831
   76    HE1  HIS  10           HE1      HIS  10   6.418  11.805   0.631
   77    H    ARG  11           HN       ARG  11   4.634   8.685  -0.477
   78    HA   ARG  11           HA       ARG  11   2.466   6.861  -0.310
   79   1HB   ARG  11           HB2      ARG  11   2.577   9.854   0.141
   80   2HB   ARG  11           HB1      ARG  11   1.163   8.871   0.515
   81   1HG   ARG  11           HG2      ARG  11   2.598   7.447   1.989
   82   2HG   ARG  11           HG1      ARG  11   3.939   8.555   1.690
   83   1HD   ARG  11           HD2      ARG  11   2.614  10.417   2.618
   84   2HD   ARG  11           HD1      ARG  11   1.274   9.314   2.922
   85    HE   ARG  11           HE       ARG  11   3.393   8.146   4.262
   86   1HH1  ARG  11          HH21      ARG  11   1.931  11.270   4.156
   87   2HH1  ARG  11          HH22      ARG  11   2.299  11.644   5.806
   88   1HH2  ARG  11          HH11      ARG  11   3.885   8.626   6.419
   89   2HH2  ARG  11          HH12      ARG  11   3.401  10.150   7.084
   90    H    ALA  12           HN       ALA  12   3.129   9.453  -2.596
   91    HA   ALA  12           HA       ALA  12   0.477   9.243  -3.847
   92   1HB   ALA  12           HB1      ALA  12   1.909  11.366  -3.716
   93   2HB   ALA  12           HB3      ALA  12   2.896  10.647  -4.987
   94   3HB   ALA  12           HB2      ALA  12   1.192  10.990  -5.283
   95    H    ASP  13           HN       ASP  13   3.651   7.832  -4.260
   96    HA   ASP  13           HA       ASP  13   3.282   6.962  -6.996
   97   1HB   ASP  13           HB2      ASP  13   5.021   5.997  -4.723
   98   2HB   ASP  13           HB1      ASP  13   5.019   5.192  -6.292
   99    H    VAL  14           HN       VAL  14   2.127   5.998  -3.926
  100    HA   VAL  14           HA       VAL  14   1.344   3.289  -4.680
  101    HB   VAL  14           HB       VAL  14   0.651   5.090  -2.338
  102   1HG1  VAL  14          HG13      VAL  14  -0.114   2.212  -2.884
  103   2HG1  VAL  14          HG12      VAL  14  -0.208   2.965  -1.293
  104   3HG1  VAL  14          HG11      VAL  14  -1.207   3.572  -2.611
  105   1HG2  VAL  14          HG21      VAL  14   2.482   2.700  -2.693
  106   2HG2  VAL  14          HG23      VAL  14   2.960   4.359  -2.334
  107   3HG2  VAL  14          HG22      VAL  14   2.090   3.409  -1.128
  108    H    ILE  15           HN       ILE  15  -0.575   6.207  -3.802
  109    HA   ILE  15           HA       ILE  15  -2.987   5.093  -4.957
  110    HB   ILE  15           HB       ILE  15  -2.369   7.961  -4.207
  111   1HG1  ILE  15          HG12      ILE  15  -3.790   5.801  -2.613
  112   2HG1  ILE  15          HG11      ILE  15  -2.086   6.197  -2.401
  113   1HG2  ILE  15          HG23      ILE  15  -4.966   6.468  -4.698
  114   2HG2  ILE  15          HG22      ILE  15  -4.870   8.083  -3.998
  115   3HG2  ILE  15          HG21      ILE  15  -4.326   7.805  -5.652
  116   1HD1  ILE  15          HD12      ILE  15  -3.005   8.664  -2.105
  117   2HD1  ILE  15          HD11      ILE  15  -4.509   7.833  -1.710
  118   3HD1  ILE  15          HD13      ILE  15  -3.058   7.530  -0.759
  119    H    ALA  16           HN       ALA  16  -0.693   7.616  -6.096
  120    HA   ALA  16           HA       ALA  16  -2.097   8.309  -8.450
  121   1HB   ALA  16           HB2      ALA  16   0.052   9.364  -7.551
  122   2HB   ALA  16           HB1      ALA  16   0.910   8.030  -8.321
  123   3HB   ALA  16           HB3      ALA  16  -0.031   9.152  -9.302
  124    H    GLY  17           HN       GLY  17   0.456   5.839  -8.068
  125   1HA   GLY  17           HA2      GLY  17   0.233   4.786 -10.705
  126   2HA   GLY  17           HA1      GLY  17   0.908   3.927  -9.325
  127    H    LEU  18           HN       LEU  18  -1.153   3.478  -7.659
  128    HA   LEU  18           HA       LEU  18  -2.634   1.403  -8.964
  129   1HB   LEU  18           HB2      LEU  18  -2.957   2.796  -6.300
  130   2HB   LEU  18           HB1      LEU  18  -4.014   1.479  -6.796
  131    HG   LEU  18           HG       LEU  18  -1.014   1.146  -6.857
  132   1HD1  LEU  18          HD13      LEU  18  -1.652   1.889  -4.582
  133   2HD1  LEU  18          HD12      LEU  18  -2.869   0.621  -4.512
  134   3HD1  LEU  18          HD11      LEU  18  -1.156   0.197  -4.582
  135   1HD2  LEU  18          HD22      LEU  18  -3.383  -0.740  -6.614
  136   2HD2  LEU  18          HD21      LEU  18  -2.266  -0.615  -7.970
  137   3HD2  LEU  18          HD23      LEU  18  -1.710  -1.250  -6.426
  138    H    LYS  19           HN       LYS  19  -3.808   4.490  -7.596
  139    HA   LYS  19           HA       LYS  19  -6.449   4.315  -8.567
  140   1HB   LYS  19           HB2      LYS  19  -5.446   6.058  -6.970
  141   2HB   LYS  19           HB1      LYS  19  -4.901   6.910  -8.416
  142   1HG   LYS  19           HG2      LYS  19  -7.186   7.101  -9.228
  143   2HG   LYS  19           HG1      LYS  19  -7.780   6.120  -7.886
  144   1HD   LYS  19           HD2      LYS  19  -6.783   7.877  -6.329
  145   2HD   LYS  19           HD1      LYS  19  -6.570   8.889  -7.761
  146   1HE   LYS  19           HE2      LYS  19  -8.701   9.400  -6.624
  147   2HE   LYS  19           HE1      LYS  19  -8.983   8.739  -8.236
  148   1HZ   LYS  19           HZ2      LYS  19  -8.793   6.640  -6.361
  149   2HZ   LYS  19           HZ1      LYS  19  -9.940   7.770  -5.820
  150   3HZ   LYS  19           HZ3      LYS  19 -10.105   7.064  -7.353
  151    H    LYS  20           HN       LYS  20  -3.588   4.551 -10.360
  152    HA   LYS  20           HA       LYS  20  -4.345   6.199 -12.531
  153   1HB   LYS  20           HB2      LYS  20  -2.066   5.169 -12.260
  154   2HB   LYS  20           HB1      LYS  20  -2.765   3.615 -12.721
  155   1HG   LYS  20           HG2      LYS  20  -3.413   4.491 -14.895
  156   2HG   LYS  20           HG1      LYS  20  -2.864   6.105 -14.443
  157   1HD   LYS  20           HD2      LYS  20  -0.560   5.257 -14.197
  158   2HD   LYS  20           HD1      LYS  20  -1.107   3.643 -14.656
  159   1HE   LYS  20           HE2      LYS  20  -1.160   6.139 -16.371
  160   2HE   LYS  20           HE1      LYS  20  -0.178   4.699 -16.625
  161   1HZ   LYS  20           HZ2      LYS  20  -2.447   3.508 -16.663
  162   2HZ   LYS  20           HZ1      LYS  20  -3.080   5.053 -16.980
  163   3HZ   LYS  20           HZ3      LYS  20  -1.948   4.367 -18.042
  164    H    ARG  21           HN       ARG  21  -5.346   3.040 -11.581
  165    HA   ARG  21           HA       ARG  21  -6.908   2.669 -14.089
  166   1HB   ARG  21           HB2      ARG  21  -6.324   0.919 -11.675
  167   2HB   ARG  21           HB1      ARG  21  -7.535   0.488 -12.883
  168   1HG   ARG  21           HG2      ARG  21  -5.762   0.667 -14.646
  169   2HG   ARG  21           HG1      ARG  21  -4.577   0.931 -13.367
  170   1HD   ARG  21           HD2      ARG  21  -4.673  -1.452 -14.076
  171   2HD   ARG  21           HD1      ARG  21  -5.109  -1.251 -12.375
  172    HE   ARG  21           HE       ARG  21  -7.536  -1.124 -13.740
  173   1HH1  ARG  21          HH21      ARG  21  -4.869  -3.296 -13.510
  174   2HH1  ARG  21          HH22      ARG  21  -5.820  -4.708 -13.829
  175   1HH2  ARG  21          HH11      ARG  21  -8.794  -2.950 -14.154
  176   2HH2  ARG  21          HH12      ARG  21  -8.046  -4.513 -14.190
  177    H    LYS  22           HN       LYS  22  -8.036   1.491 -11.049
  178    HA   LYS  22           HA       LYS  22  -9.727   3.811 -10.504
  179   1HB   LYS  22           HB2      LYS  22 -10.770   1.405 -11.912
  180   2HB   LYS  22           HB1      LYS  22 -11.724   1.855 -10.508
  181   1HG   LYS  22           HG2      LYS  22 -10.939   3.928 -12.553
  182   2HG   LYS  22           HG1      LYS  22 -12.345   2.901 -12.801
  183   1HD   LYS  22           HD2      LYS  22 -13.391   3.701 -10.796
  184   2HD   LYS  22           HD1      LYS  22 -11.921   4.523 -10.278
  185   1HE   LYS  22           HE2      LYS  22 -13.384   6.203 -11.193
  186   2HE   LYS  22           HE1      LYS  22 -12.094   5.946 -12.368
  187   1HZ   LYS  22           HZ3      LYS  22 -14.418   4.234 -12.653
  188   2HZ   LYS  22           HZ2      LYS  22 -14.685   5.880 -12.979
  189   3HZ   LYS  22           HZ1      LYS  22 -13.498   5.021 -13.841
  190    H    LEU  23           HN       LEU  23  -7.917   3.148  -8.790
  191    HA   LEU  23           HA       LEU  23  -9.258   1.444  -6.706
  192   1HB   LEU  23           HB2      LEU  23  -6.277   1.747  -7.092
  193   2HB   LEU  23           HB1      LEU  23  -7.087   0.674  -5.958
  194    HG   LEU  23           HG       LEU  23  -7.319   0.466  -8.982
  195   1HD1  LEU  23          HD12      LEU  23  -5.653  -1.090  -6.981
  196   2HD1  LEU  23          HD11      LEU  23  -5.860  -1.538  -8.676
  197   3HD1  LEU  23          HD13      LEU  23  -5.039  -0.035  -8.254
  198   1HD2  LEU  23          HD21      LEU  23  -8.247  -1.263  -6.668
  199   2HD2  LEU  23          HD23      LEU  23  -9.247  -0.528  -7.923
  200   3HD2  LEU  23          HD22      LEU  23  -8.157  -1.852  -8.325
  201    H    SER  24           HN       SER  24  -9.213   2.248  -4.626
  202    HA   SER  24           HA       SER  24  -7.639   4.678  -4.013
  203   1HB   SER  24           HB2      SER  24  -9.632   5.908  -3.225
  204   2HB   SER  24           HB1      SER  24  -9.767   5.557  -4.946
  205    HG   SER  24           HG       SER  24 -11.685   4.966  -4.012
  206    H    LEU  25           HN       LEU  25  -6.785   4.298  -2.011
  207    HA   LEU  25           HA       LEU  25  -7.154   2.090  -0.417
  208   1HB   LEU  25           HB2      LEU  25  -6.786   4.889   0.680
  209   2HB   LEU  25           HB1      LEU  25  -6.372   3.382   1.503
  210    HG   LEU  25           HG       LEU  25  -5.181   3.981  -1.210
  211   1HD1  LEU  25          HD11      LEU  25  -4.240   5.051   1.464
  212   2HD1  LEU  25          HD13      LEU  25  -3.215   4.971   0.032
  213   3HD1  LEU  25          HD12      LEU  25  -4.659   5.985   0.028
  214   1HD2  LEU  25          HD21      LEU  25  -4.254   2.436   1.239
  215   2HD2  LEU  25          HD23      LEU  25  -4.845   1.745  -0.272
  216   3HD2  LEU  25          HD22      LEU  25  -3.317   2.624  -0.244
  217    H    SER  26           HN       SER  26  -9.372   4.785  -0.688
  218    HA   SER  26           HA       SER  26 -10.920   4.021   1.676
  219   1HB   SER  26           HB2      SER  26 -10.908   6.357   0.978
  220   2HB   SER  26           HB1      SER  26 -11.534   5.917  -0.609
  221    HG   SER  26           HG       SER  26 -13.464   5.786   0.220
  222    H    ALA  27           HN       ALA  27 -11.256   3.635  -1.856
  223    HA   ALA  27           HA       ALA  27 -13.824   2.319  -1.677
  224   1HB   ALA  27           HB3      ALA  27 -11.720   2.201  -3.861
  225   2HB   ALA  27           HB2      ALA  27 -13.382   1.637  -4.017
  226   3HB   ALA  27           HB1      ALA  27 -13.053   3.353  -3.777
  227    H    LEU  28           HN       LEU  28 -10.467   1.129  -1.947
  228    HA   LEU  28           HA       LEU  28 -11.115  -1.645  -2.015
  229   1HB   LEU  28           HB2      LEU  28  -8.679  -0.085  -1.134
  230   2HB   LEU  28           HB1      LEU  28  -8.747  -1.835  -0.934
  231    HG   LEU  28           HG       LEU  28  -9.089  -2.162  -3.299
  232   1HD1  LEU  28          HD11      LEU  28  -9.331   0.844  -3.345
  233   2HD1  LEU  28          HD13      LEU  28  -8.984  -0.079  -4.800
  234   3HD1  LEU  28          HD12      LEU  28 -10.489  -0.350  -3.926
  235   1HD2  LEU  28          HD23      LEU  28  -6.898  -0.136  -2.749
  236   2HD2  LEU  28          HD22      LEU  28  -6.760  -1.887  -2.605
  237   3HD2  LEU  28          HD21      LEU  28  -6.985  -1.150  -4.190
  238    H    SER  29           HN       SER  29 -11.002   0.682   0.575
  239    HA   SER  29           HA       SER  29 -10.872  -1.181   2.768
  240   1HB   SER  29           HB2      SER  29 -11.400   0.661   4.151
  241   2HB   SER  29           HB1      SER  29 -10.530   1.372   2.799
  242    HG   SER  29           HG       SER  29 -12.734   2.230   3.563
  243    H    ARG  30           HN       ARG  30 -13.703   0.613   1.466
  244    HA   ARG  30           HA       ARG  30 -15.579  -0.915   3.018
  245   1HB   ARG  30           HB2      ARG  30 -17.299   0.186   1.701
  246   2HB   ARG  30           HB1      ARG  30 -16.041   1.359   2.084
  247   1HG   ARG  30           HG2      ARG  30 -14.993   0.813  -0.157
  248   2HG   ARG  30           HG1      ARG  30 -16.449  -0.104  -0.533
  249   1HD   ARG  30           HD2      ARG  30 -17.476   2.330   0.358
  250   2HD   ARG  30           HD1      ARG  30 -16.036   2.820  -0.528
  251    HE   ARG  30           HE       ARG  30 -18.464   2.093  -1.731
  252   1HH1  ARG  30          HH21      ARG  30 -15.171   1.064  -1.861
  253   2HH1  ARG  30          HH22      ARG  30 -15.315   0.382  -3.444
  254   1HH2  ARG  30          HH11      ARG  30 -18.654   1.223  -3.796
  255   2HH2  ARG  30          HH12      ARG  30 -17.277   0.482  -4.542
  256    H    GLN  31           HN       GLN  31 -14.002  -1.538  -0.013
  257    HA   GLN  31           HA       GLN  31 -15.960  -3.328  -1.106
  258   1HB   GLN  31           HB2      GLN  31 -13.021  -2.871  -1.528
  259   2HB   GLN  31           HB1      GLN  31 -13.770  -4.292  -2.245
  260   1HG   GLN  31           HG2      GLN  31 -15.460  -2.824  -3.332
  261   2HG   GLN  31           HG1      GLN  31 -14.627  -1.413  -2.678
  262   1HE2  GLN  31          HE22      GLN  31 -11.968  -1.568  -5.038
  263   2HE2  GLN  31          HE21      GLN  31 -12.502  -0.879  -3.581
  264    H    PHE  32           HN       PHE  32 -13.435  -3.749   1.319
  265    HA   PHE  32           HA       PHE  32 -14.089  -6.674   1.474
  266   1HB   PHE  32           HB2      PHE  32 -11.709  -5.057   2.412
  267   2HB   PHE  32           HB1      PHE  32 -12.016  -6.697   2.986
  268    HD1  PHE  32           HD1      PHE  32 -11.271  -4.634  -0.003
  269    HD2  PHE  32           HD2      PHE  32 -11.733  -8.624   1.547
  270    HE1  PHE  32           HE1      PHE  32 -10.295  -5.553  -2.095
  271    HE2  PHE  32           HE2      PHE  32 -10.753  -9.549  -0.546
  272    HZ   PHE  32           HZ       PHE  32 -10.034  -8.012  -2.368
  273    H    GLY  33           HN       GLY  33 -14.146  -3.653   3.301
  274   1HA   GLY  33           HA2      GLY  33 -16.151  -3.719   4.930
  275   2HA   GLY  33           HA1      GLY  33 -15.346  -5.125   5.620
  276    H    TYR  34           HN       TYR  34 -12.704  -4.328   5.722
  277    HA   TYR  34           HA       TYR  34 -12.478  -2.928   8.093
  278   1HB   TYR  34           HB2      TYR  34 -10.473  -2.501   5.876
  279   2HB   TYR  34           HB1      TYR  34 -10.184  -2.547   7.613
  280    HD1  TYR  34           HD2      TYR  34 -11.451  -4.897   8.638
  281    HD2  TYR  34           HD1      TYR  34  -9.522  -4.358   4.819
  282    HE1  TYR  34           HE2      TYR  34 -11.046  -7.341   8.495
  283    HE2  TYR  34           HE1      TYR  34  -9.121  -6.800   4.688
  284    HH   TYR  34           HH       TYR  34  -8.892  -8.726   6.337
  285    H    ALA  35           HN       ALA  35 -12.962  -0.909   8.730
  286    HA   ALA  35           HA       ALA  35 -14.191   1.051   7.244
  287   1HB   ALA  35           HB3      ALA  35 -12.935   0.892   9.833
  288   2HB   ALA  35           HB2      ALA  35 -12.540   2.456   9.125
  289   3HB   ALA  35           HB1      ALA  35 -14.225   1.980   9.324
  290    HA   PRO  36           HA       PRO  36 -11.304   2.988   4.547
  291   1HB   PRO  36           HB2      PRO  36 -11.701   5.734   5.210
  292   2HB   PRO  36           HB1      PRO  36 -12.561   4.811   3.969
  293   1HG   PRO  36           HG2      PRO  36 -13.535   5.693   6.604
  294   2HG   PRO  36           HG1      PRO  36 -14.461   5.066   5.231
  295   1HD   PRO  36           HD2      PRO  36 -13.876   3.673   7.645
  296   2HD   PRO  36           HD1      PRO  36 -14.571   2.981   6.163
  297    H    THR  37           HN       THR  37 -11.143   3.914   7.940
  298    HA   THR  37           HA       THR  37  -8.575   5.235   7.742
  299    HB   THR  37           HB       THR  37  -8.646   5.385  10.097
  300    HG1  THR  37           HG1      THR  37  -9.290   3.782  11.283
  301   1HG2  THR  37          HG23      THR  37 -10.581   6.466   8.851
  302   2HG2  THR  37          HG22      THR  37 -11.561   5.091   9.359
  303   3HG2  THR  37          HG21      THR  37 -10.856   6.166  10.567
  304    H    THR  38           HN       THR  38  -9.591   1.902   8.392
  305    HA   THR  38           HA       THR  38  -7.134   0.878   9.343
  306    HB   THR  38           HB       THR  38  -9.256  -0.403   7.598
  307    HG1  THR  38           HG1      THR  38  -8.894   0.078  10.251
  308   1HG2  THR  38          HG23      THR  38  -6.682  -1.496   8.700
  309   2HG2  THR  38          HG22      THR  38  -8.100  -2.538   8.651
  310   3HG2  THR  38          HG21      THR  38  -7.474  -1.839   7.159
  311    H    LEU  39           HN       LEU  39  -8.273   0.643   5.949
  312    HA   LEU  39           HA       LEU  39  -5.852  -0.141   4.806
  313   1HB   LEU  39           HB2      LEU  39  -8.362   0.726   3.866
  314   2HB   LEU  39           HB1      LEU  39  -7.236   1.849   3.126
  315    HG   LEU  39           HG       LEU  39  -7.439   0.092   1.571
  316   1HD1  LEU  39          HD13      LEU  39  -4.972   0.623   2.595
  317   2HD1  LEU  39          HD12      LEU  39  -5.037  -1.121   2.874
  318   3HD1  LEU  39          HD11      LEU  39  -5.242  -0.475   1.243
  319   1HD2  LEU  39          HD21      LEU  39  -8.593  -1.477   3.124
  320   2HD2  LEU  39          HD23      LEU  39  -7.368  -2.284   2.150
  321   3HD2  LEU  39          HD22      LEU  39  -7.036  -1.893   3.834
  322    H    ALA  40           HN       ALA  40  -6.968   3.155   5.519
  323    HA   ALA  40           HA       ALA  40  -4.802   4.585   4.411
  324   1HB   ALA  40           HB2      ALA  40  -6.835   5.681   5.276
  325   2HB   ALA  40           HB1      ALA  40  -6.376   5.240   6.920
  326   3HB   ALA  40           HB3      ALA  40  -5.388   6.377   6.002
  327    H    ASN  41           HN       ASN  41  -5.141   4.147   7.931
  328    HA   ASN  41           HA       ASN  41  -2.438   4.627   8.546
  329   1HB   ASN  41           HB2      ASN  41  -2.924   3.651  10.712
  330   2HB   ASN  41           HB1      ASN  41  -4.326   4.579  10.179
  331   1HD2  ASN  41          HD22      ASN  41  -4.622   0.469   9.987
  332   2HD2  ASN  41          HD21      ASN  41  -3.114   1.195   9.705
  333    H    ALA  42           HN       ALA  42  -3.846   1.830   7.126
  334    HA   ALA  42           HA       ALA  42  -1.932  -0.106   8.078
  335   1HB   ALA  42           HB1      ALA  42  -3.598  -0.120   5.547
  336   2HB   ALA  42           HB3      ALA  42  -2.745  -1.510   6.214
  337   3HB   ALA  42           HB2      ALA  42  -4.089  -0.788   7.100
  338    H    LEU  43           HN       LEU  43  -1.223   2.584   6.506
  339    HA   LEU  43           HA       LEU  43   0.498   1.474   4.394
  340   1HB   LEU  43           HB2      LEU  43  -0.101   4.250   5.412
  341   2HB   LEU  43           HB1      LEU  43   1.258   3.976   4.321
  342    HG   LEU  43           HG       LEU  43  -1.456   2.873   3.594
  343   1HD1  LEU  43          HD12      LEU  43  -0.532   5.732   3.186
  344   2HD1  LEU  43          HD11      LEU  43  -1.931   5.007   2.395
  345   3HD1  LEU  43          HD13      LEU  43  -1.913   5.207   4.147
  346   1HD2  LEU  43          HD22      LEU  43   0.721   2.407   2.303
  347   2HD2  LEU  43          HD21      LEU  43  -0.622   3.040   1.353
  348   3HD2  LEU  43          HD23      LEU  43   0.690   4.108   1.848
  349    H    GLU  44           HN       GLU  44   0.794   2.718   7.685
  350    HA   GLU  44           HA       GLU  44   3.651   1.817   7.692
  351   1HB   GLU  44           HB2      GLU  44   4.172   3.740   9.202
  352   2HB   GLU  44           HB1      GLU  44   3.713   4.242   7.576
  353   1HG   GLU  44           HG2      GLU  44   1.377   4.595   8.393
  354   2HG   GLU  44           HG1      GLU  44   1.932   4.223  10.026
  355    H    ARG  45           HN       ARG  45   0.644   1.321   8.973
  356    HA   ARG  45           HA       ARG  45   1.378   1.039  11.787
  357   1HB   ARG  45           HB2      ARG  45  -0.993   1.422  10.861
  358   2HB   ARG  45           HB1      ARG  45  -0.976  -0.282  10.413
  359   1HG   ARG  45           HG2      ARG  45  -1.925  -0.440  12.531
  360   2HG   ARG  45           HG1      ARG  45  -0.227  -0.590  12.964
  361   1HD   ARG  45           HD2      ARG  45  -1.249   1.035  14.442
  362   2HD   ARG  45           HD1      ARG  45  -0.169   1.894  13.344
  363    HE   ARG  45           HE       ARG  45  -2.640   1.969  12.073
  364   1HH1  ARG  45          HH21      ARG  45  -1.362   2.817  15.162
  365   2HH1  ARG  45          HH22      ARG  45  -2.494   4.103  15.424
  366   1HH2  ARG  45          HH11      ARG  45  -4.124   3.644  12.401
  367   2HH2  ARG  45          HH12      ARG  45  -4.053   4.572  13.863
  368    H    HIS  46           HN       HIS  46   1.593  -1.015  12.899
  369    HA   HIS  46           HA       HIS  46   3.158  -2.958  11.440
  370   1HB   HIS  46           HB2      HIS  46   1.862  -3.245  14.170
  371   2HB   HIS  46           HB1      HIS  46   3.220  -4.186  13.541
  372    HD1  HIS  46           HD1      HIS  46   5.495  -3.272  14.022
  373    HD2  HIS  46           HD2      HIS  46   2.561  -0.327  14.333
  374    HE1  HIS  46           HE1      HIS  46   6.668  -1.172  14.815
  375    H    TRP  47           HN       TRP  47   1.566  -3.443   9.730
  376    HA   TRP  47           HA       TRP  47   0.025  -5.838  10.345
  377   1HB   TRP  47           HB2      TRP  47  -1.554  -4.081  11.089
  378   2HB   TRP  47           HB1      TRP  47  -1.441  -3.317   9.505
  379    HD1  TRP  47           HD1      TRP  47  -1.972  -7.026  10.517
  380    HE1  TRP  47           HE1      TRP  47  -4.024  -7.904   9.229
  381    HE3  TRP  47           HE3      TRP  47  -3.355  -2.763   8.081
  382    HZ2  TRP  47           HZ2      TRP  47  -6.005  -6.923   7.392
  383    HZ3  TRP  47           HZ3      TRP  47  -5.328  -2.747   6.569
  384    HH2  TRP  47           HH2      TRP  47  -6.657  -4.824   6.226
  385    HA   PRO  48           HA       PRO  48   1.956  -5.149   6.128
  386   1HB   PRO  48           HB2      PRO  48   2.770  -7.957   6.311
  387   2HB   PRO  48           HB1      PRO  48   3.786  -6.515   6.157
  388   1HG   PRO  48           HG2      PRO  48   3.470  -8.107   8.496
  389   2HG   PRO  48           HG1      PRO  48   4.280  -6.535   8.398
  390   1HD   PRO  48           HD2      PRO  48   1.692  -7.176   9.601
  391   2HD   PRO  48           HD1      PRO  48   2.598  -5.643   9.682
  392    H    LYS  49           HN       LYS  49  -0.464  -7.244   7.443
  393    HA   LYS  49           HA       LYS  49  -1.069  -8.693   5.016
  394   1HB   LYS  49           HB2      LYS  49  -1.883  -9.197   7.425
  395   2HB   LYS  49           HB1      LYS  49  -3.118  -7.987   7.114
  396   1HG   LYS  49           HG2      LYS  49  -4.327  -9.734   6.258
  397   2HG   LYS  49           HG1      LYS  49  -3.337  -9.498   4.826
  398   1HD   LYS  49           HD2      LYS  49  -2.550 -11.361   7.089
  399   2HD   LYS  49           HD1      LYS  49  -3.477 -11.885   5.692
  400   1HE   LYS  49           HE2      LYS  49  -1.270 -12.394   5.077
  401   2HE   LYS  49           HE1      LYS  49  -1.543 -10.842   4.296
  402   1HZ   LYS  49           HZ2      LYS  49  -0.654 -10.406   6.924
  403   2HZ   LYS  49           HZ1      LYS  49   0.407 -11.498   6.171
  404   3HZ   LYS  49           HZ3      LYS  49   0.112  -9.985   5.468
  405    H    GLY  50           HN       GLY  50  -1.691  -5.462   6.114
  406   1HA   GLY  50           HA2      GLY  50  -3.934  -4.897   4.347
  407   2HA   GLY  50           HA1      GLY  50  -2.909  -3.691   5.134
  408    H    GLU  51           HN       GLU  51  -0.495  -5.154   4.017
  409    HA   GLU  51           HA       GLU  51  -0.237  -3.585   1.594
  410   1HB   GLU  51           HB2      GLU  51   1.538  -5.874   2.497
  411   2HB   GLU  51           HB1      GLU  51   1.968  -4.554   1.414
  412   1HG   GLU  51           HG2      GLU  51   1.100  -4.056   4.265
  413   2HG   GLU  51           HG1      GLU  51   2.783  -4.350   3.837
  414    H    GLN  52           HN       GLN  52  -0.817  -6.999   2.365
  415    HA   GLN  52           HA       GLN  52  -0.636  -8.021  -0.300
  416   1HB   GLN  52           HB2      GLN  52  -2.105  -8.913   2.182
  417   2HB   GLN  52           HB1      GLN  52  -2.321  -9.778   0.661
  418   1HG   GLN  52           HG2      GLN  52   0.432  -9.186   1.758
  419   2HG   GLN  52           HG1      GLN  52  -0.464 -10.619   2.250
  420   1HE2  GLN  52          HE22      GLN  52  -0.354 -10.963  -1.717
  421   2HE2  GLN  52          HE21      GLN  52  -1.447  -9.972  -0.882
  422    H    ILE  53           HN       ILE  53  -3.402  -6.633   1.495
  423    HA   ILE  53           HA       ILE  53  -5.414  -7.122  -0.434
  424    HB   ILE  53           HB       ILE  53  -5.034  -4.776   1.454
  425   1HG1  ILE  53          HG12      ILE  53  -6.901  -7.159   1.629
  426   2HG1  ILE  53          HG11      ILE  53  -5.300  -7.147   2.358
  427   1HG2  ILE  53          HG21      ILE  53  -7.433  -5.581  -0.223
  428   2HG2  ILE  53          HG23      ILE  53  -7.506  -4.429   1.110
  429   3HG2  ILE  53          HG22      ILE  53  -6.543  -4.062  -0.316
  430   1HD1  ILE  53          HD11      ILE  53  -6.136  -4.898   3.470
  431   2HD1  ILE  53          HD13      ILE  53  -7.736  -5.552   3.116
  432   3HD1  ILE  53          HD12      ILE  53  -6.628  -6.448   4.149
  433    H    ILE  54           HN       ILE  54  -3.288  -4.268  -0.105
  434    HA   ILE  54           HA       ILE  54  -4.183  -2.963  -2.484
  435    HB   ILE  54           HB       ILE  54  -1.626  -2.802  -0.877
  436   1HG1  ILE  54          HG12      ILE  54  -3.915  -0.838  -1.185
  437   2HG1  ILE  54          HG11      ILE  54  -3.871  -2.066   0.079
  438   1HG2  ILE  54          HG21      ILE  54  -2.459  -1.357  -3.386
  439   2HG2  ILE  54          HG23      ILE  54  -1.454  -0.534  -2.197
  440   3HG2  ILE  54          HG22      ILE  54  -0.884  -2.014  -2.959
  441   1HD1  ILE  54          HD13      ILE  54  -1.455  -1.011   0.541
  442   2HD1  ILE  54          HD12      ILE  54  -2.182   0.399  -0.224
  443   3HD1  ILE  54          HD11      ILE  54  -2.906  -0.287   1.225
  444    H    ALA  55           HN       ALA  55  -1.159  -4.826  -1.926
  445    HA   ALA  55           HA       ALA  55  -0.274  -4.785  -4.617
  446   1HB   ALA  55           HB3      ALA  55   0.879  -5.656  -2.426
  447   2HB   ALA  55           HB2      ALA  55   0.165  -7.205  -2.870
  448   3HB   ALA  55           HB1      ALA  55   1.291  -6.403  -3.967
  449    H    ASN  56           HN       ASN  56  -2.566  -6.915  -2.992
  450    HA   ASN  56           HA       ASN  56  -2.812  -8.921  -4.970
  451   1HB   ASN  56           HB2      ASN  56  -3.919  -9.167  -2.819
  452   2HB   ASN  56           HB1      ASN  56  -4.912  -7.741  -3.126
  453   1HD2  ASN  56          HD22      ASN  56  -6.941  -9.446  -5.612
  454   2HD2  ASN  56          HD21      ASN  56  -6.222  -7.936  -5.318
  455    H    ALA  57           HN       ALA  57  -4.104  -5.650  -4.817
  456    HA   ALA  57           HA       ALA  57  -6.030  -5.856  -6.901
  457   1HB   ALA  57           HB1      ALA  57  -5.628  -3.879  -5.321
  458   2HB   ALA  57           HB3      ALA  57  -4.320  -3.413  -6.409
  459   3HB   ALA  57           HB2      ALA  57  -5.978  -3.473  -7.000
  460    H    LEU  58           HN       LEU  58  -2.541  -5.234  -7.022
  461    HA   LEU  58           HA       LEU  58  -2.606  -5.000  -9.966
  462   1HB   LEU  58           HB2      LEU  58  -0.343  -4.981  -7.941
  463   2HB   LEU  58           HB1      LEU  58  -0.122  -4.754  -9.668
  464    HG   LEU  58           HG       LEU  58  -1.951  -3.000  -8.004
  465   1HD1  LEU  58          HD13      LEU  58   0.976  -2.635  -8.721
  466   2HD1  LEU  58          HD12      LEU  58  -0.049  -1.350  -8.081
  467   3HD1  LEU  58          HD11      LEU  58   0.293  -2.775  -7.103
  468   1HD2  LEU  58          HD22      LEU  58  -0.821  -2.888 -10.812
  469   2HD2  LEU  58          HD21      LEU  58  -2.497  -2.720 -10.294
  470   3HD2  LEU  58          HD23      LEU  58  -1.349  -1.420  -9.993
  471    H    GLU  59           HN       GLU  59  -3.034  -7.529  -8.056
  472    HA   GLU  59           HA       GLU  59  -2.563  -9.825  -8.191
  473   1HB   GLU  59           HB2      GLU  59  -3.414  -9.154 -10.575
  474   2HB   GLU  59           HB1      GLU  59  -1.730  -9.349 -11.054
  475   1HG   GLU  59           HG2      GLU  59  -1.794 -11.660 -10.033
  476   2HG   GLU  59           HG1      GLU  59  -3.530 -11.444  -9.799
  477    H    THR  60           HN       THR  60  -0.335  -7.777  -7.700
  478    HA   THR  60           HA       THR  60   2.001  -9.485  -8.495
  479    HB   THR  60           HB       THR  60   1.853  -6.986  -9.192
  480    HG1  THR  60           HG1      THR  60   3.745  -8.317  -9.197
  481   1HG2  THR  60          HG21      THR  60   1.203  -6.377  -6.733
  482   2HG2  THR  60          HG23      THR  60   2.938  -6.489  -6.428
  483   3HG2  THR  60          HG22      THR  60   2.321  -5.326  -7.602
  484    H    LYS  61           HN       LYS  61   3.844  -8.603  -6.640
  485    HA   LYS  61           HA       LYS  61   2.719  -9.712  -4.113
  486   1HB   LYS  61           HB2      LYS  61   5.582  -9.493  -5.079
  487   2HB   LYS  61           HB1      LYS  61   5.082 -10.222  -3.551
  488   1HG   LYS  61           HG2      LYS  61   4.015 -12.029  -4.617
  489   2HG   LYS  61           HG1      LYS  61   3.914 -11.191  -6.161
  490   1HD   LYS  61           HD2      LYS  61   6.638 -11.749  -5.005
  491   2HD   LYS  61           HD1      LYS  61   5.754 -13.070  -5.769
  492   1HE   LYS  61           HE2      LYS  61   6.048 -10.422  -7.181
  493   2HE   LYS  61           HE1      LYS  61   7.339 -11.622  -7.249
  494   1HZ   LYS  61           HZ2      LYS  61   5.615 -13.243  -7.986
  495   2HZ   LYS  61           HZ1      LYS  61   4.526 -11.947  -8.132
  496   3HZ   LYS  61           HZ3      LYS  61   5.922 -11.993  -9.094
  497    HA   PRO  62           HA       PRO  62   3.196  -5.701  -2.229
  498   1HB   PRO  62           HB2      PRO  62   4.066  -6.627   0.343
  499   2HB   PRO  62           HB1      PRO  62   2.410  -6.229  -0.141
  500   1HG   PRO  62           HG2      PRO  62   3.606  -8.884   0.270
  501   2HG   PRO  62           HG1      PRO  62   1.899  -8.452   0.094
  502   1HD   PRO  62           HD2      PRO  62   3.501  -9.757  -1.858
  503   2HD   PRO  62           HD1      PRO  62   1.891  -9.049  -2.116
  504    H    GLU  63           HN       GLU  63   5.716  -8.136  -1.956
  505    HA   GLU  63           HA       GLU  63   7.869  -6.547  -1.037
  506   1HB   GLU  63           HB2      GLU  63   8.095  -8.726  -3.127
  507   2HB   GLU  63           HB1      GLU  63   9.303  -8.245  -1.934
  508   1HG   GLU  63           HG2      GLU  63   7.575  -8.889  -0.152
  509   2HG   GLU  63           HG1      GLU  63   6.682  -9.672  -1.455
  510    H    VAL  64           HN       VAL  64   6.046  -6.091  -3.823
  511    HA   VAL  64           HA       VAL  64   8.296  -5.008  -5.439
  512    HB   VAL  64           HB       VAL  64   5.330  -5.154  -6.065
  513   1HG1  VAL  64          HG12      VAL  64   7.783  -4.434  -7.681
  514   2HG1  VAL  64          HG11      VAL  64   6.258  -4.901  -8.431
  515   3HG1  VAL  64          HG13      VAL  64   6.335  -3.461  -7.417
  516   1HG2  VAL  64          HG21      VAL  64   6.379  -7.388  -5.779
  517   2HG2  VAL  64          HG23      VAL  64   5.949  -7.085  -7.463
  518   3HG2  VAL  64          HG22      VAL  64   7.629  -6.937  -6.940
  519    H    ILE  65           HN       ILE  65   5.439  -3.905  -3.643
  520    HA   ILE  65           HA       ILE  65   5.914  -1.104  -4.455
  521    HB   ILE  65           HB       ILE  65   3.924  -2.274  -2.489
  522   1HG1  ILE  65          HG12      ILE  65   2.421  -1.425  -4.581
  523   2HG1  ILE  65          HG11      ILE  65   3.902  -1.806  -5.458
  524   1HG2  ILE  65          HG21      ILE  65   4.239   0.496  -3.672
  525   2HG2  ILE  65          HG23      ILE  65   2.812  -0.038  -2.782
  526   3HG2  ILE  65          HG22      ILE  65   4.370   0.051  -1.969
  527   1HD1  ILE  65          HD12      ILE  65   2.449  -3.716  -3.593
  528   2HD1  ILE  65          HD11      ILE  65   2.322  -3.734  -5.350
  529   3HD1  ILE  65          HD13      ILE  65   3.862  -4.096  -4.573
  530    H    TRP  66           HN       TRP  66   6.812  -3.245  -1.856
  531    HA   TRP  66           HA       TRP  66   8.191  -0.957  -0.516
  532   1HB   TRP  66           HB2      TRP  66   6.504  -3.055   0.874
  533   2HB   TRP  66           HB1      TRP  66   7.598  -1.951   1.705
  534    HD1  TRP  66           HD1      TRP  66   7.029   0.707   1.506
  535    HE1  TRP  66           HE1      TRP  66   4.752   1.896   1.256
  536    HE3  TRP  66           HE3      TRP  66   4.166  -3.225  -0.068
  537    HZ2  TRP  66           HZ2      TRP  66   2.060   1.261   0.483
  538    HZ3  TRP  66           HZ3      TRP  66   1.747  -2.913  -0.555
  539    HH2  TRP  66           HH2      TRP  66   0.694  -0.675  -0.282
  540    HA   PRO  67           HA       PRO  67  10.837  -4.758  -1.139
  541   1HB   PRO  67           HB2      PRO  67  12.868  -3.279  -2.479
  542   2HB   PRO  67           HB1      PRO  67  11.684  -4.364  -3.232
  543   1HG   PRO  67           HG2      PRO  67  11.790  -1.442  -3.352
  544   2HG   PRO  67           HG1      PRO  67  10.732  -2.542  -4.247
  545   1HD   PRO  67           HD2      PRO  67  10.035  -0.871  -1.986
  546   2HD   PRO  67           HD1      PRO  67   8.979  -1.969  -2.891
  547    H    SER  68           HN       SER  68  11.841  -1.402  -0.395
  548    HA   SER  68           HA       SER  68  14.195  -2.142   1.078
  549   1HB   SER  68           HB2      SER  68  14.396   0.130   1.582
  550   2HB   SER  68           HB1      SER  68  13.435   0.173   0.104
  551    HG   SER  68           HG       SER  68  11.807  -0.157   2.187
  552    H    ARG  69           HN       ARG  69  11.051  -2.801   1.856
  553    HA   ARG  69           HA       ARG  69  11.443  -2.434   4.801
  554   1HB   ARG  69           HB2      ARG  69   8.993  -3.106   3.152
  555   2HB   ARG  69           HB1      ARG  69   9.009  -3.068   4.914
  556   1HG   ARG  69           HG2      ARG  69   9.955  -0.663   4.652
  557   2HG   ARG  69           HG1      ARG  69   9.397  -0.779   2.984
  558   1HD   ARG  69           HD2      ARG  69   7.803  -0.655   5.515
  559   2HD   ARG  69           HD1      ARG  69   7.478   0.094   3.951
  560    HE   ARG  69           HE       ARG  69   7.181  -2.602   3.436
  561   1HH1  ARG  69          HH21      ARG  69   5.979  -0.369   5.768
  562   2HH1  ARG  69          HH22      ARG  69   4.459  -1.180   5.959
  563   1HH2  ARG  69          HH11      ARG  69   5.208  -3.678   3.670
  564   2HH2  ARG  69          HH12      ARG  69   4.027  -3.058   4.775
  565    H    TYR  70           HN       TYR  70  11.922  -4.764   2.443
  566    HA   TYR  70           HA       TYR  70  11.475  -7.023   4.397
  567   1HB   TYR  70           HB2      TYR  70  11.292  -6.877   1.378
  568   2HB   TYR  70           HB1      TYR  70  11.531  -8.416   2.203
  569    HD1  TYR  70           HD2      TYR  70   9.882  -9.028   4.117
  570    HD2  TYR  70           HD1      TYR  70   9.144  -5.980   1.181
  571    HE1  TYR  70           HE2      TYR  70   7.449  -9.129   4.629
  572    HE2  TYR  70           HE1      TYR  70   6.706  -6.068   1.687
  573    HH   TYR  70           HH       TYR  70   5.423  -7.260   4.332
  574    H    GLN  71           HN       GLN  71  13.329  -7.048   1.383
  575    HA   GLN  71           HA       GLN  71  15.897  -6.945   2.792
  576   1HB   GLN  71           HB2      GLN  71  15.040  -9.303   3.128
  577   2HB   GLN  71           HB1      GLN  71  15.100  -9.504   1.378
  578   1HG   GLN  71           HG2      GLN  71  17.516  -8.609   2.964
  579   2HG   GLN  71           HG1      GLN  71  17.150 -10.313   2.700
  580   1HE2  GLN  71          HE22      GLN  71  17.982 -10.239  -0.765
  581   2HE2  GLN  71          HE21      GLN  71  17.136 -11.092   0.434
  582    H    ALA  72           HN       ALA  72  14.951  -8.622  -0.200
  583    HA   ALA  72           HA       ALA  72  16.442  -6.529  -1.765
  584   1HB   ALA  72           HB3      ALA  72  16.341  -9.531  -2.174
  585   2HB   ALA  72           HB2      ALA  72  17.025  -8.395  -3.337
  586   3HB   ALA  72           HB1      ALA  72  17.754  -8.570  -1.741
  587    H    GLY  73           HN       GLY  73  14.333  -9.315  -2.531
  588   1HA   GLY  73           HA2      GLY  73  12.305  -9.379  -3.719
  589   2HA   GLY  73           HA1      GLY  73  12.171  -7.636  -3.482
  590    H    GLU  74           HN       GLU  74  11.387  -7.939  -5.840
  591    HA   GLU  74           HA       GLU  74  13.707  -7.408  -7.634
  592   1HB   GLU  74           HB2      GLU  74  11.529  -9.460  -8.083
  593   2HB   GLU  74           HB1      GLU  74  12.477  -8.789  -9.410
  594   1HG   GLU  74           HG2      GLU  74  13.764 -10.056  -6.981
  595   2HG   GLU  74           HG1      GLU  74  13.337 -10.983  -8.415
   
  No H/Q in entry =         595
  Start of MODEL          11
 Raw file had  612 H/Q atoms
  Start of MODEL   11
    1   1H    CYS   1           HT2      CYS   1  15.435  13.649   3.019
    2   2H    CYS   1           HT1      CYS   1  16.942  14.284   3.477
    3   3H    CYS   1           HT3      CYS   1  16.586  12.654   3.776
    4    HA   CYS   1           HA       CYS   1  16.382  13.828   5.829
    5   1HB   CYS   1           HB2      CYS   1  14.588  15.660   5.907
    6   2HB   CYS   1           HB1      CYS   1  16.096  16.079   5.093
    7    HG   CYS   1           HG       CYS   1  14.563  16.672   3.220
    8    H    SER   2           HN       SER   2  14.045  14.108   7.049
    9    HA   SER   2           HA       SER   2  12.304  12.753   7.875
   10   1HB   SER   2           HB2      SER   2  10.438  12.701   6.438
   11   2HB   SER   2           HB1      SER   2  11.365  14.082   5.859
   12    HG   SER   2           HG       SER   2  11.669  11.456   4.834
   13    H    ASN   3           HN       ASN   3  10.880  10.659   6.737
   14    HA   ASN   3           HA       ASN   3  12.814   8.647   5.769
   15   1HB   ASN   3           HB2      ASN   3  11.320   8.327   8.395
   16   2HB   ASN   3           HB1      ASN   3  12.295   7.081   7.614
   17   1HD2  ASN   3          HD22      ASN   3  14.146  10.166   9.570
   18   2HD2  ASN   3          HD21      ASN   3  12.478  10.235   9.262
   19    H    GLU   4           HN       GLU   4  10.663   6.683   6.938
   20    HA   GLU   4           HA       GLU   4   8.782   5.604   6.050
   21   1HB   GLU   4           HB2      GLU   4   7.815   7.844   6.837
   22   2HB   GLU   4           HB1      GLU   4   7.887   8.350   5.152
   23   1HG   GLU   4           HG2      GLU   4   5.706   7.489   5.346
   24   2HG   GLU   4           HG1      GLU   4   6.603   6.138   4.655
   25    H    LYS   5           HN       LYS   5   8.817   8.237   3.659
   26    HA   LYS   5           HA       LYS   5   8.845   6.264   1.502
   27   1HB   LYS   5           HB2      LYS   5   8.685   8.217   0.014
   28   2HB   LYS   5           HB1      LYS   5   7.514   8.346   1.325
   29   1HG   LYS   5           HG2      LYS   5   9.337   9.702   2.565
   30   2HG   LYS   5           HG1      LYS   5  10.121   9.837   0.994
   31   1HD   LYS   5           HD2      LYS   5   8.051  10.814   0.052
   32   2HD   LYS   5           HD1      LYS   5   7.293  10.714   1.642
   33   1HE   LYS   5           HE2      LYS   5   9.790  12.304   0.975
   34   2HE   LYS   5           HE1      LYS   5   8.183  12.977   1.246
   35   1HZ   LYS   5           HZ3      LYS   5   8.814  11.289   3.388
   36   2HZ   LYS   5           HZ2      LYS   5  10.128  12.336   3.144
   37   3HZ   LYS   5           HZ1      LYS   5   8.574  12.967   3.408
   38    H    ALA   6           HN       ALA   6  10.471   8.157  -0.214
   39    HA   ALA   6           HA       ALA   6  12.714   8.603  -0.742
   40   1HB   ALA   6           HB3      ALA   6  12.873   8.789   1.919
   41   2HB   ALA   6           HB2      ALA   6  13.765   7.282   1.736
   42   3HB   ALA   6           HB1      ALA   6  14.324   8.742   0.920
   43    H    ARG   7           HN       ARG   7  12.214   5.458   0.898
   44    HA   ARG   7           HA       ARG   7  14.037   4.193  -1.071
   45   1HB   ARG   7           HB2      ARG   7  12.471   2.638   0.988
   46   2HB   ARG   7           HB1      ARG   7  14.054   2.299   0.299
   47   1HG   ARG   7           HG2      ARG   7  13.444   4.579   2.189
   48   2HG   ARG   7           HG1      ARG   7  14.173   3.041   2.651
   49   1HD   ARG   7           HD2      ARG   7  16.041   3.486   1.057
   50   2HD   ARG   7           HD1      ARG   7  15.335   5.063   0.703
   51    HE   ARG   7           HE       ARG   7  15.599   5.037   3.469
   52   1HH1  ARG   7          HH21      ARG   7  17.641   4.518   0.736
   53   2HH1  ARG   7          HH22      ARG   7  19.069   5.082   1.536
   54   1HH2  ARG   7          HH11      ARG   7  17.457   5.777   4.517
   55   2HH2  ARG   7          HH12      ARG   7  18.963   5.801   3.665
   56    H    ASP   8           HN       ASP   8  10.899   3.165   0.215
   57    HA   ASP   8           HA       ASP   8  10.213   1.712  -2.170
   58   1HB   ASP   8           HB2      ASP   8   8.392   2.598   0.074
   59   2HB   ASP   8           HB1      ASP   8   8.122   1.258  -1.043
   60    H    TRP   9           HN       TRP   9   7.595   2.160  -2.532
   61    HA   TRP   9           HA       TRP   9   7.471   4.332  -4.421
   62   1HB   TRP   9           HB2      TRP   9   5.319   2.604  -3.132
   63   2HB   TRP   9           HB1      TRP   9   5.034   3.698  -4.472
   64    HD1  TRP   9           HD1      TRP   9   7.938   1.137  -3.999
   65    HE1  TRP   9           HE1      TRP   9   7.965  -0.405  -6.053
   66    HE3  TRP   9           HE3      TRP   9   3.805   2.881  -6.447
   67    HZ2  TRP   9           HZ2      TRP   9   6.400  -0.892  -8.415
   68    HZ3  TRP   9           HZ3      TRP   9   3.075   1.843  -8.583
   69    HH2  TRP   9           HH2      TRP   9   4.369  -0.040  -9.568
   70    H    HIS  10           HN       HIS  10   7.384   6.473  -3.677
   71    HA   HIS  10           HA       HIS  10   6.782   7.385  -1.112
   72   1HB   HIS  10           HB2      HIS  10   6.047   8.743  -3.726
   73   2HB   HIS  10           HB1      HIS  10   6.096   9.536  -2.153
   74    HD1  HIS  10           HD1      HIS  10   8.738   7.018  -2.603
   75    HD2  HIS  10           HD2      HIS  10   8.294  11.100  -3.336
   76    HE1  HIS  10           HE1      HIS  10  11.073   7.947  -2.948
   77    H    ARG  11           HN       ARG  11   4.738   8.466  -0.310
   78    HA   ARG  11           HA       ARG  11   2.543   6.695  -0.319
   79   1HB   ARG  11           HB2      ARG  11   1.217   8.769   0.453
   80   2HB   ARG  11           HB1      ARG  11   2.602   8.290   1.433
   81   1HG   ARG  11           HG2      ARG  11   4.002   9.966   0.343
   82   2HG   ARG  11           HG1      ARG  11   2.675  10.409  -0.733
   83   1HD   ARG  11           HD2      ARG  11   1.357  11.228   1.111
   84   2HD   ARG  11           HD1      ARG  11   2.495  10.570   2.284
   85    HE   ARG  11           HE       ARG  11   4.016  12.326   0.747
   86   1HH1  ARG  11          HH21      ARG  11   1.109  12.437   2.600
   87   2HH1  ARG  11          HH22      ARG  11   1.287  14.104   3.030
   88   1HH2  ARG  11          HH11      ARG  11   4.264  14.507   1.289
   89   2HH2  ARG  11          HH12      ARG  11   3.075  15.283   2.281
   90    H    ALA  12           HN       ALA  12   3.197   9.484  -2.403
   91    HA   ALA  12           HA       ALA  12   0.621   9.272  -3.772
   92   1HB   ALA  12           HB3      ALA  12   1.831  11.435  -3.582
   93   2HB   ALA  12           HB2      ALA  12   3.128  10.778  -4.579
   94   3HB   ALA  12           HB1      ALA  12   1.517  11.001  -5.261
   95    H    ASP  13           HN       ASP  13   3.821   7.913  -4.173
   96    HA   ASP  13           HA       ASP  13   3.493   7.165  -6.947
   97   1HB   ASP  13           HB2      ASP  13   5.227   5.989  -4.763
   98   2HB   ASP  13           HB1      ASP  13   5.341   5.546  -6.468
   99    H    VAL  14           HN       VAL  14   2.405   5.930  -3.907
  100    HA   VAL  14           HA       VAL  14   1.632   3.313  -4.990
  101    HB   VAL  14           HB       VAL  14   1.122   4.704  -2.347
  102   1HG1  VAL  14          HG13      VAL  14   0.218   1.986  -3.336
  103   2HG1  VAL  14          HG12      VAL  14   0.266   2.422  -1.629
  104   3HG1  VAL  14          HG11      VAL  14  -0.797   3.291  -2.730
  105   1HG2  VAL  14          HG23      VAL  14   2.921   2.458  -3.260
  106   2HG2  VAL  14          HG22      VAL  14   3.378   3.980  -2.498
  107   3HG2  VAL  14          HG21      VAL  14   2.553   2.738  -1.560
  108    H    ILE  15           HN       ILE  15  -0.155   6.212  -3.769
  109    HA   ILE  15           HA       ILE  15  -2.702   5.244  -4.720
  110    HB   ILE  15           HB       ILE  15  -2.126   8.209  -4.546
  111   1HG1  ILE  15          HG12      ILE  15  -1.356   7.981  -2.397
  112   2HG1  ILE  15          HG11      ILE  15  -3.055   7.743  -2.009
  113   1HG2  ILE  15          HG23      ILE  15  -4.314   7.351  -5.317
  114   2HG2  ILE  15          HG22      ILE  15  -4.529   6.536  -3.769
  115   3HG2  ILE  15          HG21      ILE  15  -4.449   8.297  -3.834
  116   1HD1  ILE  15          HD11      ILE  15  -2.446   5.186  -2.486
  117   2HD1  ILE  15          HD13      ILE  15  -0.825   5.760  -2.099
  118   3HD1  ILE  15          HD12      ILE  15  -2.119   5.933  -0.933
  119    H    ALA  16           HN       ALA  16  -0.481   7.712  -6.074
  120    HA   ALA  16           HA       ALA  16  -1.915   8.248  -8.433
  121   1HB   ALA  16           HB2      ALA  16   0.196   9.410  -7.622
  122   2HB   ALA  16           HB1      ALA  16   1.101   8.061  -8.308
  123   3HB   ALA  16           HB3      ALA  16   0.127   9.093  -9.356
  124    H    GLY  17           HN       GLY  17   0.405   5.643  -7.790
  125   1HA   GLY  17           HA2      GLY  17   0.378   4.608 -10.477
  126   2HA   GLY  17           HA1      GLY  17   0.911   3.732  -9.042
  127    H    LEU  18           HN       LEU  18  -1.396   3.695  -7.528
  128    HA   LEU  18           HA       LEU  18  -2.873   1.562  -8.779
  129   1HB   LEU  18           HB2      LEU  18  -3.239   3.176  -6.257
  130   2HB   LEU  18           HB1      LEU  18  -4.373   1.908  -6.711
  131    HG   LEU  18           HG       LEU  18  -1.408   1.339  -6.622
  132   1HD1  LEU  18          HD11      LEU  18  -2.094   2.321  -4.427
  133   2HD1  LEU  18          HD13      LEU  18  -3.321   1.061  -4.290
  134   3HD1  LEU  18          HD12      LEU  18  -1.612   0.632  -4.312
  135   1HD2  LEU  18          HD22      LEU  18  -3.931  -0.327  -6.320
  136   2HD2  LEU  18          HD21      LEU  18  -2.760  -0.407  -7.634
  137   3HD2  LEU  18          HD23      LEU  18  -2.313  -0.951  -6.021
  138    H    LYS  19           HN       LYS  19  -3.938   4.818  -7.764
  139    HA   LYS  19           HA       LYS  19  -6.523   4.713  -8.893
  140   1HB   LYS  19           HB2      LYS  19  -5.830   6.462  -7.330
  141   2HB   LYS  19           HB1      LYS  19  -4.692   7.101  -8.511
  142   1HG   LYS  19           HG2      LYS  19  -6.501   7.702 -10.019
  143   2HG   LYS  19           HG1      LYS  19  -7.686   6.918  -8.976
  144   1HD   LYS  19           HD2      LYS  19  -5.948   9.096  -7.825
  145   2HD   LYS  19           HD1      LYS  19  -7.309   9.545  -8.848
  146   1HE   LYS  19           HE2      LYS  19  -7.593   7.689  -6.473
  147   2HE   LYS  19           HE1      LYS  19  -7.816   9.432  -6.362
  148   1HZ   LYS  19           HZ1      LYS  19  -9.519   9.261  -8.094
  149   2HZ   LYS  19           HZ3      LYS  19  -9.334   7.576  -8.115
  150   3HZ   LYS  19           HZ2      LYS  19  -9.919   8.348  -6.719
  151    H    LYS  20           HN       LYS  20  -3.477   4.989 -10.525
  152    HA   LYS  20           HA       LYS  20  -4.297   6.435 -12.818
  153   1HB   LYS  20           HB2      LYS  20  -2.184   4.368 -12.307
  154   2HB   LYS  20           HB1      LYS  20  -2.528   4.798 -13.976
  155   1HG   LYS  20           HG2      LYS  20  -2.201   7.145 -12.169
  156   2HG   LYS  20           HG1      LYS  20  -0.755   6.156 -12.329
  157   1HD   LYS  20           HD2      LYS  20  -0.666   7.844 -14.039
  158   2HD   LYS  20           HD1      LYS  20  -1.010   6.313 -14.835
  159   1HE   LYS  20           HE2      LYS  20  -3.245   8.156 -13.983
  160   2HE   LYS  20           HE1      LYS  20  -2.416   8.381 -15.519
  161   1HZ   LYS  20           HZ3      LYS  20  -2.953   6.086 -16.093
  162   2HZ   LYS  20           HZ2      LYS  20  -3.796   5.906 -14.628
  163   3HZ   LYS  20           HZ1      LYS  20  -4.354   6.998 -15.804
  164    H    ARG  21           HN       ARG  21  -4.962   3.202 -11.791
  165    HA   ARG  21           HA       ARG  21  -6.266   2.571 -14.389
  166   1HB   ARG  21           HB2      ARG  21  -5.688   0.977 -11.868
  167   2HB   ARG  21           HB1      ARG  21  -6.770   0.377 -13.126
  168   1HG   ARG  21           HG2      ARG  21  -5.013   0.409 -14.769
  169   2HG   ARG  21           HG1      ARG  21  -3.937   1.285 -13.681
  170   1HD   ARG  21           HD2      ARG  21  -3.687  -0.600 -12.242
  171   2HD   ARG  21           HD1      ARG  21  -5.030  -1.454 -13.010
  172    HE   ARG  21           HE       ARG  21  -3.257  -1.110 -15.086
  173   1HH1  ARG  21          HH21      ARG  21  -3.048  -2.291 -11.853
  174   2HH1  ARG  21          HH22      ARG  21  -1.807  -3.446 -12.215
  175   1HH2  ARG  21          HH11      ARG  21  -1.639  -2.610 -15.575
  176   2HH2  ARG  21          HH12      ARG  21  -1.009  -3.625 -14.320
  177    H    LYS  22           HN       LYS  22  -7.575   1.398 -11.411
  178    HA   LYS  22           HA       LYS  22  -9.488   3.586 -11.116
  179   1HB   LYS  22           HB2      LYS  22 -10.207   1.085 -12.552
  180   2HB   LYS  22           HB1      LYS  22 -11.319   1.471 -11.247
  181   1HG   LYS  22           HG2      LYS  22 -10.522   3.584 -13.247
  182   2HG   LYS  22           HG1      LYS  22 -11.806   2.441 -13.611
  183   1HD   LYS  22           HD2      LYS  22 -13.073   3.147 -11.670
  184   2HD   LYS  22           HD1      LYS  22 -11.742   4.165 -11.119
  185   1HE   LYS  22           HE2      LYS  22 -13.672   5.328 -12.378
  186   2HE   LYS  22           HE1      LYS  22 -12.030   5.706 -12.894
  187   1HZ   LYS  22           HZ2      LYS  22 -12.268   3.955 -14.600
  188   2HZ   LYS  22           HZ1      LYS  22 -13.897   3.777 -14.157
  189   3HZ   LYS  22           HZ3      LYS  22 -13.352   5.245 -14.810
  190    H    LEU  23           HN       LEU  23  -7.970   3.273  -9.130
  191    HA   LEU  23           HA       LEU  23  -9.396   1.520  -7.166
  192   1HB   LEU  23           HB2      LEU  23  -6.430   1.612  -7.692
  193   2HB   LEU  23           HB1      LEU  23  -7.092   0.993  -6.185
  194    HG   LEU  23           HG       LEU  23  -7.743  -0.081  -8.949
  195   1HD1  LEU  23          HD12      LEU  23  -5.390  -0.440  -8.159
  196   2HD1  LEU  23          HD11      LEU  23  -6.038  -1.252  -6.736
  197   3HD1  LEU  23          HD13      LEU  23  -6.297  -1.939  -8.340
  198   1HD2  LEU  23          HD22      LEU  23  -8.674  -0.739  -6.156
  199   2HD2  LEU  23          HD21      LEU  23  -9.598  -0.707  -7.657
  200   3HD2  LEU  23          HD23      LEU  23  -8.510  -2.049  -7.325
  201    H    SER  24           HN       SER  24  -9.240   2.199  -5.007
  202    HA   SER  24           HA       SER  24  -7.802   4.690  -4.357
  203   1HB   SER  24           HB2      SER  24 -10.000   5.590  -3.331
  204   2HB   SER  24           HB1      SER  24  -9.811   5.727  -5.077
  205    HG   SER  24           HG       SER  24 -11.839   4.750  -4.079
  206    H    LEU  25           HN       LEU  25  -7.106   4.553  -2.204
  207    HA   LEU  25           HA       LEU  25  -7.225   2.181  -0.738
  208   1HB   LEU  25           HB2      LEU  25  -7.207   4.962   0.475
  209   2HB   LEU  25           HB1      LEU  25  -6.728   3.472   1.283
  210    HG   LEU  25           HG       LEU  25  -5.020   3.159  -0.595
  211   1HD1  LEU  25          HD13      LEU  25  -6.148   5.824  -1.335
  212   2HD1  LEU  25          HD12      LEU  25  -4.395   5.727  -1.343
  213   3HD1  LEU  25          HD11      LEU  25  -5.334   4.626  -2.339
  214   1HD2  LEU  25          HD23      LEU  25  -4.440   3.838   1.701
  215   2HD2  LEU  25          HD22      LEU  25  -3.405   4.658   0.534
  216   3HD2  LEU  25          HD21      LEU  25  -4.743   5.528   1.288
  217    H    SER  26           HN       SER  26  -9.661   4.693  -0.959
  218    HA   SER  26           HA       SER  26 -11.249   3.743   1.274
  219   1HB   SER  26           HB2      SER  26 -11.527   6.031   0.584
  220   2HB   SER  26           HB1      SER  26 -11.868   5.550  -1.074
  221    HG   SER  26           HG       SER  26 -13.836   5.833  -0.208
  222    H    ALA  27           HN       ALA  27 -11.103   3.030  -2.167
  223    HA   ALA  27           HA       ALA  27 -13.613   1.598  -2.265
  224   1HB   ALA  27           HB3      ALA  27 -11.156   1.504  -4.039
  225   2HB   ALA  27           HB2      ALA  27 -12.655   0.646  -4.395
  226   3HB   ALA  27           HB1      ALA  27 -12.642   2.408  -4.332
  227    H    LEU  28           HN       LEU  28 -10.214   0.506  -2.052
  228    HA   LEU  28           HA       LEU  28 -10.830  -2.260  -1.802
  229   1HB   LEU  28           HB2      LEU  28  -8.467  -1.573  -0.210
  230   2HB   LEU  28           HB1      LEU  28  -8.564  -2.511  -1.696
  231    HG   LEU  28           HG       LEU  28  -8.603   0.522  -1.640
  232   1HD1  LEU  28          HD13      LEU  28  -6.504  -0.350  -0.692
  233   2HD1  LEU  28          HD12      LEU  28  -6.286  -1.356  -2.122
  234   3HD1  LEU  28          HD11      LEU  28  -6.242   0.401  -2.266
  235   1HD2  LEU  28          HD22      LEU  28  -8.203  -1.568  -3.806
  236   2HD2  LEU  28          HD21      LEU  28  -9.512  -0.390  -3.705
  237   3HD2  LEU  28          HD23      LEU  28  -7.866   0.146  -4.037
  238    H    SER  29           HN       SER  29 -11.049   0.365   0.458
  239    HA   SER  29           HA       SER  29 -10.984  -1.176   2.884
  240   1HB   SER  29           HB2      SER  29 -11.739   0.793   3.960
  241   2HB   SER  29           HB1      SER  29 -10.777   1.368   2.603
  242    HG   SER  29           HG       SER  29 -13.598   1.194   2.833
  243    H    ARG  30           HN       ARG  30 -13.836   0.293   1.241
  244    HA   ARG  30           HA       ARG  30 -15.693  -1.242   2.806
  245   1HB   ARG  30           HB2      ARG  30 -17.391  -0.436   1.177
  246   2HB   ARG  30           HB1      ARG  30 -16.378   0.866   1.794
  247   1HG   ARG  30           HG2      ARG  30 -14.933   0.633  -0.243
  248   2HG   ARG  30           HG1      ARG  30 -16.091  -0.539  -0.875
  249   1HD   ARG  30           HD2      ARG  30 -17.854   1.111  -0.906
  250   2HD   ARG  30           HD1      ARG  30 -16.853   2.272  -0.037
  251    HE   ARG  30           HE       ARG  30 -15.416   1.667  -2.355
  252   1HH1  ARG  30          HH21      ARG  30 -18.549   2.845  -1.523
  253   2HH1  ARG  30          HH22      ARG  30 -18.734   3.764  -2.980
  254   1HH2  ARG  30          HH11      ARG  30 -15.639   2.859  -4.258
  255   2HH2  ARG  30          HH12      ARG  30 -17.088   3.770  -4.528
  256    H    GLN  31           HN       GLN  31 -13.861  -2.035  -0.016
  257    HA   GLN  31           HA       GLN  31 -15.656  -3.992  -1.116
  258   1HB   GLN  31           HB2      GLN  31 -12.697  -3.496  -1.324
  259   2HB   GLN  31           HB1      GLN  31 -13.406  -4.931  -2.054
  260   1HG   GLN  31           HG2      GLN  31 -14.832  -3.625  -3.469
  261   2HG   GLN  31           HG1      GLN  31 -14.455  -2.142  -2.587
  262   1HE2  GLN  31          HE22      GLN  31 -11.051  -3.437  -4.367
  263   2HE2  GLN  31          HE21      GLN  31 -11.785  -4.313  -3.113
  264    H    PHE  32           HN       PHE  32 -13.169  -4.156   1.413
  265    HA   PHE  32           HA       PHE  32 -13.780  -7.070   1.784
  266   1HB   PHE  32           HB2      PHE  32 -11.457  -5.335   2.666
  267   2HB   PHE  32           HB1      PHE  32 -11.719  -6.969   3.281
  268    HD1  PHE  32           HD1      PHE  32 -11.097  -4.973   0.202
  269    HD2  PHE  32           HD2      PHE  32 -11.286  -8.910   1.942
  270    HE1  PHE  32           HE1      PHE  32 -10.091  -5.932  -1.862
  271    HE2  PHE  32           HE2      PHE  32 -10.277  -9.870  -0.119
  272    HZ   PHE  32           HZ       PHE  32  -9.681  -8.382  -2.023
  273    H    GLY  33           HN       GLY  33 -13.928  -3.933   3.401
  274   1HA   GLY  33           HA2      GLY  33 -15.932  -3.933   5.030
  275   2HA   GLY  33           HA1      GLY  33 -15.099  -5.272   5.812
  276    H    TYR  34           HN       TYR  34 -12.489  -4.450   5.883
  277    HA   TYR  34           HA       TYR  34 -12.285  -2.863   8.131
  278   1HB   TYR  34           HB2      TYR  34 -10.243  -2.609   5.926
  279   2HB   TYR  34           HB1      TYR  34  -9.986  -2.591   7.671
  280    HD1  TYR  34           HD2      TYR  34 -11.356  -4.857   8.756
  281    HD2  TYR  34           HD1      TYR  34  -9.296  -4.534   4.979
  282    HE1  TYR  34           HE2      TYR  34 -11.026  -7.317   8.722
  283    HE2  TYR  34           HE1      TYR  34  -8.970  -6.990   4.959
  284    HH   TYR  34           HH       TYR  34  -8.894  -8.865   7.110
  285    H    ALA  35           HN       ALA  35 -12.860  -0.815   8.578
  286    HA   ALA  35           HA       ALA  35 -13.932   1.007   6.752
  287   1HB   ALA  35           HB2      ALA  35 -12.997   1.075   9.536
  288   2HB   ALA  35           HB1      ALA  35 -12.821   2.642   8.747
  289   3HB   ALA  35           HB3      ALA  35 -14.404   1.860   8.826
  290    HA   PRO  36           HA       PRO  36 -10.637   2.807   4.464
  291   1HB   PRO  36           HB2      PRO  36 -11.153   5.586   5.134
  292   2HB   PRO  36           HB1      PRO  36 -11.568   4.729   3.643
  293   1HG   PRO  36           HG2      PRO  36 -13.355   5.536   5.792
  294   2HG   PRO  36           HG1      PRO  36 -13.776   4.761   4.258
  295   1HD   PRO  36           HD2      PRO  36 -13.832   3.556   6.858
  296   2HD   PRO  36           HD1      PRO  36 -14.083   2.747   5.297
  297    H    THR  37           HN       THR  37 -11.115   4.038   7.755
  298    HA   THR  37           HA       THR  37  -8.603   5.245   8.189
  299    HB   THR  37           HB       THR  37  -9.032   5.012  10.511
  300    HG1  THR  37           HG1      THR  37  -9.377   2.624  10.143
  301   1HG2  THR  37          HG22      THR  37 -10.795   6.232   9.128
  302   2HG2  THR  37          HG21      THR  37 -11.785   4.781   9.286
  303   3HG2  THR  37          HG23      THR  37 -11.313   5.686  10.725
  304    H    THR  38           HN       THR  38  -9.531   1.820   8.598
  305    HA   THR  38           HA       THR  38  -7.054   0.853   9.550
  306    HB   THR  38           HB       THR  38  -9.160  -0.430   7.794
  307    HG1  THR  38           HG1      THR  38  -9.280   0.187  10.199
  308   1HG2  THR  38          HG21      THR  38  -6.529  -1.503   8.767
  309   2HG2  THR  38          HG23      THR  38  -7.926  -2.579   8.760
  310   3HG2  THR  38          HG22      THR  38  -7.382  -1.831   7.258
  311    H    LEU  39           HN       LEU  39  -8.174   0.747   6.141
  312    HA   LEU  39           HA       LEU  39  -5.760  -0.041   4.994
  313   1HB   LEU  39           HB2      LEU  39  -8.253   0.934   4.072
  314   2HB   LEU  39           HB1      LEU  39  -7.071   1.997   3.332
  315    HG   LEU  39           HG       LEU  39  -7.379   0.234   1.783
  316   1HD1  LEU  39          HD13      LEU  39  -4.879   0.687   2.801
  317   2HD1  LEU  39          HD12      LEU  39  -5.004  -1.057   3.052
  318   3HD1  LEU  39          HD11      LEU  39  -5.197  -0.379   1.436
  319   1HD2  LEU  39          HD23      LEU  39  -8.567  -1.272   3.381
  320   2HD2  LEU  39          HD22      LEU  39  -7.401  -2.132   2.376
  321   3HD2  LEU  39          HD21      LEU  39  -7.009  -1.752   4.051
  322    H    ALA  40           HN       ALA  40  -6.834   3.289   5.682
  323    HA   ALA  40           HA       ALA  40  -4.536   4.641   4.728
  324   1HB   ALA  40           HB2      ALA  40  -6.680   5.707   5.533
  325   2HB   ALA  40           HB1      ALA  40  -6.145   5.398   7.184
  326   3HB   ALA  40           HB3      ALA  40  -5.218   6.480   6.144
  327    H    ASN  41           HN       ASN  41  -5.212   3.995   8.170
  328    HA   ASN  41           HA       ASN  41  -2.592   4.460   9.109
  329   1HB   ASN  41           HB2      ASN  41  -4.629   2.546  10.285
  330   2HB   ASN  41           HB1      ASN  41  -3.284   3.305  11.141
  331   1HD2  ASN  41          HD22      ASN  41  -6.728   5.296  10.918
  332   2HD2  ASN  41          HD21      ASN  41  -6.573   3.630  10.637
  333    H    ALA  42           HN       ALA  42  -3.640   1.844   7.179
  334    HA   ALA  42           HA       ALA  42  -1.868  -0.177   8.270
  335   1HB   ALA  42           HB3      ALA  42  -3.843  -0.688   6.790
  336   2HB   ALA  42           HB2      ALA  42  -2.942   0.009   5.442
  337   3HB   ALA  42           HB1      ALA  42  -2.340  -1.434   6.247
  338    H    LEU  43           HN       LEU  43  -1.263   2.698   6.705
  339    HA   LEU  43           HA       LEU  43   1.061   1.779   5.151
  340   1HB   LEU  43           HB2      LEU  43   0.104   4.585   5.793
  341   2HB   LEU  43           HB1      LEU  43   1.353   4.168   4.618
  342    HG   LEU  43           HG       LEU  43  -1.506   3.159   4.478
  343   1HD1  LEU  43          HD12      LEU  43  -0.180   5.472   3.031
  344   2HD1  LEU  43          HD11      LEU  43  -1.784   4.839   2.667
  345   3HD1  LEU  43          HD13      LEU  43  -1.468   5.595   4.228
  346   1HD2  LEU  43          HD22      LEU  43   0.924   2.964   2.686
  347   2HD2  LEU  43          HD21      LEU  43  -0.179   1.686   3.195
  348   3HD2  LEU  43          HD23      LEU  43  -0.696   2.871   1.999
  349    H    GLU  44           HN       GLU  44   0.386   3.079   8.317
  350    HA   GLU  44           HA       GLU  44   3.335   3.288   8.861
  351   1HB   GLU  44           HB2      GLU  44   0.975   4.769  10.047
  352   2HB   GLU  44           HB1      GLU  44   2.587   4.798  10.762
  353   1HG   GLU  44           HG2      GLU  44   3.531   5.831   8.821
  354   2HG   GLU  44           HG1      GLU  44   2.074   5.536   7.873
  355    H    ARG  45           HN       ARG  45   0.248   1.981   9.920
  356    HA   ARG  45           HA       ARG  45   1.281   0.959  12.442
  357   1HB   ARG  45           HB2      ARG  45  -1.141   1.454  12.025
  358   2HB   ARG  45           HB1      ARG  45  -1.186   0.090  10.904
  359   1HG   ARG  45           HG2      ARG  45  -0.574  -1.451  12.690
  360   2HG   ARG  45           HG1      ARG  45  -0.388  -0.110  13.822
  361   1HD   ARG  45           HD2      ARG  45  -2.760   0.439  13.617
  362   2HD   ARG  45           HD1      ARG  45  -2.969  -0.818  12.399
  363    HE   ARG  45           HE       ARG  45  -1.944  -2.173  14.593
  364   1HH1  ARG  45          HH21      ARG  45  -4.572  -0.043  13.947
  365   2HH1  ARG  45          HH22      ARG  45  -5.601  -0.727  15.162
  366   1HH2  ARG  45          HH11      ARG  45  -3.267  -3.083  16.184
  367   2HH2  ARG  45          HH12      ARG  45  -4.860  -2.448  16.432
  368    H    HIS  46           HN       HIS  46   2.354  -0.955  12.757
  369    HA   HIS  46           HA       HIS  46   3.349  -2.476  10.562
  370   1HB   HIS  46           HB2      HIS  46   4.128  -4.079  12.244
  371   2HB   HIS  46           HB1      HIS  46   4.415  -2.432  12.808
  372    HD1  HIS  46           HD1      HIS  46   3.588  -5.351  14.331
  373    HD2  HIS  46           HD2      HIS  46   1.511  -1.740  14.142
  374    HE1  HIS  46           HE1      HIS  46   1.982  -5.340  16.292
  375    H    TRP  47           HN       TRP  47   1.795  -3.307   9.214
  376    HA   TRP  47           HA       TRP  47   0.331  -5.662  10.105
  377   1HB   TRP  47           HB2      TRP  47  -1.208  -3.848  10.831
  378   2HB   TRP  47           HB1      TRP  47  -1.222  -3.217   9.186
  379    HD1  TRP  47           HD1      TRP  47  -1.607  -6.843  10.518
  380    HE1  TRP  47           HE1      TRP  47  -3.720  -7.856   9.460
  381    HE3  TRP  47           HE3      TRP  47  -3.296  -2.802   7.876
  382    HZ2  TRP  47           HZ2      TRP  47  -5.862  -7.067   7.723
  383    HZ3  TRP  47           HZ3      TRP  47  -5.381  -2.958   6.530
  384    HH2  TRP  47           HH2      TRP  47  -6.667  -5.089   6.455
  385    HA   PRO  48           HA       PRO  48   2.009  -5.263   5.759
  386   1HB   PRO  48           HB2      PRO  48   2.700  -8.101   6.051
  387   2HB   PRO  48           HB1      PRO  48   3.765  -6.721   5.732
  388   1HG   PRO  48           HG2      PRO  48   3.567  -8.141   8.182
  389   2HG   PRO  48           HG1      PRO  48   4.395  -6.596   7.937
  390   1HD   PRO  48           HD2      PRO  48   1.870  -7.110   9.328
  391   2HD   PRO  48           HD1      PRO  48   2.821  -5.603   9.284
  392    H    LYS  49           HN       LYS  49  -0.395  -7.247   7.295
  393    HA   LYS  49           HA       LYS  49  -1.207  -8.657   4.895
  394   1HB   LYS  49           HB2      LYS  49  -1.809  -9.250   7.340
  395   2HB   LYS  49           HB1      LYS  49  -3.040  -8.004   7.204
  396   1HG   LYS  49           HG2      LYS  49  -4.209  -9.941   6.577
  397   2HG   LYS  49           HG1      LYS  49  -3.765  -9.227   5.030
  398   1HD   LYS  49           HD2      LYS  49  -2.045 -10.809   4.652
  399   2HD   LYS  49           HD1      LYS  49  -1.981 -11.286   6.347
  400   1HE   LYS  49           HE2      LYS  49  -4.480 -11.711   4.711
  401   2HE   LYS  49           HE1      LYS  49  -3.165 -12.885   4.691
  402   1HZ   LYS  49           HZ1      LYS  49  -3.695 -12.139   7.347
  403   2HZ   LYS  49           HZ3      LYS  49  -5.157 -12.583   6.612
  404   3HZ   LYS  49           HZ2      LYS  49  -3.849 -13.669   6.627
  405    H    GLY  50           HN       GLY  50  -1.629  -5.451   6.092
  406   1HA   GLY  50           HA2      GLY  50  -4.019  -4.794   4.554
  407   2HA   GLY  50           HA1      GLY  50  -2.907  -3.632   5.291
  408    H    GLU  51           HN       GLU  51  -0.580  -4.953   3.983
  409    HA   GLU  51           HA       GLU  51  -0.562  -3.395   1.539
  410   1HB   GLU  51           HB2      GLU  51   1.375  -5.595   2.313
  411   2HB   GLU  51           HB1      GLU  51   1.678  -4.227   1.247
  412   1HG   GLU  51           HG2      GLU  51   0.979  -3.894   4.175
  413   2HG   GLU  51           HG1      GLU  51   2.635  -4.019   3.598
  414    H    GLN  52           HN       GLN  52  -1.085  -6.762   2.406
  415    HA   GLN  52           HA       GLN  52  -0.933  -7.927  -0.189
  416   1HB   GLN  52           HB2      GLN  52  -2.535  -8.635   2.280
  417   2HB   GLN  52           HB1      GLN  52  -2.590  -9.617   0.818
  418   1HG   GLN  52           HG2      GLN  52   0.069  -8.876   2.044
  419   2HG   GLN  52           HG1      GLN  52  -0.862 -10.224   2.695
  420   1HE2  GLN  52          HE22      GLN  52  -0.712 -11.877  -0.668
  421   2HE2  GLN  52          HE21      GLN  52  -1.969 -11.297   0.313
  422    H    ILE  53           HN       ILE  53  -3.654  -6.429   1.560
  423    HA   ILE  53           HA       ILE  53  -5.674  -6.914  -0.371
  424    HB   ILE  53           HB       ILE  53  -5.282  -4.611   1.559
  425   1HG1  ILE  53          HG12      ILE  53  -7.182  -6.969   1.704
  426   2HG1  ILE  53          HG11      ILE  53  -5.554  -7.042   2.373
  427   1HG2  ILE  53          HG21      ILE  53  -7.655  -5.374  -0.169
  428   2HG2  ILE  53          HG23      ILE  53  -7.781  -4.303   1.225
  429   3HG2  ILE  53          HG22      ILE  53  -6.796  -3.834  -0.157
  430   1HD1  ILE  53          HD13      ILE  53  -6.248  -4.838   3.625
  431   2HD1  ILE  53          HD12      ILE  53  -7.892  -5.367   3.276
  432   3HD1  ILE  53          HD11      ILE  53  -6.823  -6.389   4.230
  433    H    ILE  54           HN       ILE  54  -3.471  -4.098  -0.056
  434    HA   ILE  54           HA       ILE  54  -4.461  -2.760  -2.399
  435    HB   ILE  54           HB       ILE  54  -1.802  -2.583  -0.953
  436   1HG1  ILE  54          HG12      ILE  54  -4.215  -0.741  -1.004
  437   2HG1  ILE  54          HG11      ILE  54  -3.889  -1.915   0.271
  438   1HG2  ILE  54          HG22      ILE  54  -2.952  -0.988  -3.251
  439   2HG2  ILE  54          HG21      ILE  54  -1.685  -0.350  -2.206
  440   3HG2  ILE  54          HG23      ILE  54  -1.386  -1.791  -3.169
  441   1HD1  ILE  54          HD13      ILE  54  -1.506  -0.633   0.286
  442   2HD1  ILE  54          HD12      ILE  54  -2.519   0.684  -0.302
  443   3HD1  ILE  54          HD11      ILE  54  -2.875  -0.075   1.245
  444    H    ALA  55           HN       ALA  55  -1.430  -4.635  -1.945
  445    HA   ALA  55           HA       ALA  55  -0.664  -4.623  -4.683
  446   1HB   ALA  55           HB3      ALA  55  -0.134  -6.691  -2.527
  447   2HB   ALA  55           HB2      ALA  55   0.711  -6.616  -4.074
  448   3HB   ALA  55           HB1      ALA  55   0.877  -5.299  -2.913
  449    H    ASN  56           HN       ASN  56  -2.895  -6.661  -2.905
  450    HA   ASN  56           HA       ASN  56  -3.201  -8.784  -4.762
  451   1HB   ASN  56           HB2      ASN  56  -4.262  -9.010  -2.635
  452   2HB   ASN  56           HB1      ASN  56  -5.125  -7.485  -2.821
  453   1HD2  ASN  56          HD22      ASN  56  -7.802  -8.908  -4.636
  454   2HD2  ASN  56          HD21      ASN  56  -7.105  -7.491  -4.012
  455    H    ALA  57           HN       ALA  57  -4.712  -5.576  -4.635
  456    HA   ALA  57           HA       ALA  57  -6.528  -5.953  -6.794
  457   1HB   ALA  57           HB2      ALA  57  -6.396  -4.004  -5.112
  458   2HB   ALA  57           HB1      ALA  57  -5.168  -3.330  -6.181
  459   3HB   ALA  57           HB3      ALA  57  -6.806  -3.599  -6.777
  460    H    LEU  58           HN       LEU  58  -3.094  -5.184  -6.750
  461    HA   LEU  58           HA       LEU  58  -3.062  -4.634  -9.654
  462   1HB   LEU  58           HB2      LEU  58  -0.917  -4.778  -7.522
  463   2HB   LEU  58           HB1      LEU  58  -0.552  -4.514  -9.220
  464    HG   LEU  58           HG       LEU  58  -2.433  -2.760  -7.618
  465   1HD1  LEU  58          HD11      LEU  58   0.512  -2.394  -8.251
  466   2HD1  LEU  58          HD13      LEU  58  -0.526  -1.163  -7.531
  467   3HD1  LEU  58          HD12      LEU  58  -0.188  -2.654  -6.654
  468   1HD2  LEU  58          HD21      LEU  58  -1.262  -2.664 -10.401
  469   2HD2  LEU  58          HD23      LEU  58  -2.916  -2.350  -9.881
  470   3HD2  LEU  58          HD22      LEU  58  -1.659  -1.160  -9.574
  471    H    GLU  59           HN       GLU  59  -3.389  -7.351  -7.895
  472    HA   GLU  59           HA       GLU  59  -2.945  -9.615  -8.298
  473   1HB   GLU  59           HB2      GLU  59  -2.161  -8.758 -11.091
  474   2HB   GLU  59           HB1      GLU  59  -2.860 -10.295 -10.581
  475   1HG   GLU  59           HG2      GLU  59  -4.935  -9.082  -9.900
  476   2HG   GLU  59           HG1      GLU  59  -4.241  -7.595 -10.544
  477    H    THR  60           HN       THR  60  -0.691  -7.536  -7.719
  478    HA   THR  60           HA       THR  60   1.617  -9.273  -8.545
  479    HB   THR  60           HB       THR  60   1.538  -6.798  -9.268
  480    HG1  THR  60           HG1      THR  60   3.452  -8.375  -8.676
  481   1HG2  THR  60          HG21      THR  60   0.835  -6.150  -6.821
  482   2HG2  THR  60          HG23      THR  60   2.567  -6.233  -6.501
  483   3HG2  THR  60          HG22      THR  60   1.949  -5.106  -7.707
  484    H    LYS  61           HN       LYS  61   3.508  -8.641  -6.724
  485    HA   LYS  61           HA       LYS  61   2.315  -9.619  -4.176
  486   1HB   LYS  61           HB2      LYS  61   5.215  -9.564  -5.058
  487   2HB   LYS  61           HB1      LYS  61   4.587 -10.358  -3.616
  488   1HG   LYS  61           HG2      LYS  61   3.499 -12.035  -4.846
  489   2HG   LYS  61           HG1      LYS  61   3.493 -11.091  -6.331
  490   1HD   LYS  61           HD2      LYS  61   6.130 -11.888  -5.107
  491   2HD   LYS  61           HD1      LYS  61   5.218 -13.075  -6.039
  492   1HE   LYS  61           HE2      LYS  61   5.134 -11.447  -7.942
  493   2HE   LYS  61           HE1      LYS  61   6.172 -10.364  -7.014
  494   1HZ   LYS  61           HZ3      LYS  61   7.207 -13.018  -7.102
  495   2HZ   LYS  61           HZ2      LYS  61   6.987 -12.383  -8.663
  496   3HZ   LYS  61           HZ1      LYS  61   7.950 -11.555  -7.535
  497    HA   PRO  62           HA       PRO  62   3.085  -5.662  -2.279
  498   1HB   PRO  62           HB2      PRO  62   3.953  -6.648   0.278
  499   2HB   PRO  62           HB1      PRO  62   2.327  -6.113  -0.167
  500   1HG   PRO  62           HG2      PRO  62   3.289  -8.852   0.246
  501   2HG   PRO  62           HG1      PRO  62   1.625  -8.285   0.039
  502   1HD   PRO  62           HD2      PRO  62   3.176  -9.719  -1.884
  503   2HD   PRO  62           HD1      PRO  62   1.599  -8.944  -2.151
  504    H    GLU  63           HN       GLU  63   5.527  -8.205  -2.132
  505    HA   GLU  63           HA       GLU  63   7.735  -6.650  -1.227
  506   1HB   GLU  63           HB2      GLU  63   8.021  -8.798  -3.333
  507   2HB   GLU  63           HB1      GLU  63   9.117  -8.396  -2.011
  508   1HG   GLU  63           HG2      GLU  63   7.278  -9.121  -0.414
  509   2HG   GLU  63           HG1      GLU  63   6.421  -9.757  -1.821
  510    H    VAL  64           HN       VAL  64   5.872  -6.246  -4.002
  511    HA   VAL  64           HA       VAL  64   8.084  -5.221  -5.688
  512    HB   VAL  64           HB       VAL  64   5.089  -5.280  -6.170
  513   1HG1  VAL  64          HG11      VAL  64   7.468  -4.562  -7.892
  514   2HG1  VAL  64          HG13      VAL  64   5.907  -5.007  -8.580
  515   3HG1  VAL  64          HG12      VAL  64   6.043  -3.583  -7.547
  516   1HG2  VAL  64          HG22      VAL  64   7.320  -7.097  -7.137
  517   2HG2  VAL  64          HG21      VAL  64   6.047  -7.540  -5.999
  518   3HG2  VAL  64          HG23      VAL  64   5.643  -7.174  -7.676
  519    H    ILE  65           HN       ILE  65   5.327  -3.978  -3.819
  520    HA   ILE  65           HA       ILE  65   5.894  -1.219  -4.697
  521    HB   ILE  65           HB       ILE  65   3.894  -2.283  -2.683
  522   1HG1  ILE  65          HG12      ILE  65   2.399  -1.339  -4.752
  523   2HG1  ILE  65          HG11      ILE  65   3.838  -1.808  -5.652
  524   1HG2  ILE  65          HG23      ILE  65   4.347   0.479  -3.842
  525   2HG2  ILE  65          HG22      ILE  65   2.888   0.019  -2.966
  526   3HG2  ILE  65          HG21      ILE  65   4.445   0.008  -2.147
  527   1HD1  ILE  65          HD11      ILE  65   3.626  -4.061  -4.338
  528   2HD1  ILE  65          HD13      ILE  65   1.975  -3.530  -4.023
  529   3HD1  ILE  65          HD12      ILE  65   2.528  -3.761  -5.682
  530    H    TRP  66           HN       TRP  66   6.725  -3.321  -2.024
  531    HA   TRP  66           HA       TRP  66   8.208  -1.032  -0.769
  532   1HB   TRP  66           HB2      TRP  66   6.561  -3.130   0.667
  533   2HB   TRP  66           HB1      TRP  66   7.677  -2.027   1.470
  534    HD1  TRP  66           HD1      TRP  66   7.096   0.623   1.318
  535    HE1  TRP  66           HE1      TRP  66   4.821   1.820   1.104
  536    HE3  TRP  66           HE3      TRP  66   4.192  -3.284  -0.258
  537    HZ2  TRP  66           HZ2      TRP  66   2.115   1.204   0.362
  538    HZ3  TRP  66           HZ3      TRP  66   1.770  -2.952  -0.709
  539    HH2  TRP  66           HH2      TRP  66   0.731  -0.716  -0.403
  540    HA   PRO  67           HA       PRO  67  10.856  -4.814  -1.438
  541   1HB   PRO  67           HB2      PRO  67  12.830  -3.383  -2.877
  542   2HB   PRO  67           HB1      PRO  67  11.577  -4.421  -3.583
  543   1HG   PRO  67           HG2      PRO  67  11.756  -1.483  -3.625
  544   2HG   PRO  67           HG1      PRO  67  10.696  -2.542  -4.567
  545   1HD   PRO  67           HD2      PRO  67   9.968  -0.932  -2.291
  546   2HD   PRO  67           HD1      PRO  67   8.939  -2.068  -3.182
  547    H    SER  68           HN       SER  68  11.593  -1.458  -0.541
  548    HA   SER  68           HA       SER  68  14.118  -2.117   0.736
  549   1HB   SER  68           HB2      SER  68  13.230   0.172  -0.193
  550   2HB   SER  68           HB1      SER  68  12.551   0.350   1.425
  551    HG   SER  68           HG       SER  68  14.554   1.119   1.672
  552    H    ARG  69           HN       ARG  69  10.979  -2.753   1.659
  553    HA   ARG  69           HA       ARG  69  11.477  -2.404   4.573
  554   1HB   ARG  69           HB2      ARG  69   9.067  -3.317   2.969
  555   2HB   ARG  69           HB1      ARG  69   9.122  -3.385   4.732
  556   1HG   ARG  69           HG2      ARG  69   9.747  -0.874   4.620
  557   2HG   ARG  69           HG1      ARG  69   9.200  -0.949   2.945
  558   1HD   ARG  69           HD2      ARG  69   7.305  -0.259   4.240
  559   2HD   ARG  69           HD1      ARG  69   7.031  -1.950   3.823
  560    HE   ARG  69           HE       ARG  69   8.324  -2.050   6.284
  561   1HH1  ARG  69          HH21      ARG  69   5.530  -0.528   4.956
  562   2HH1  ARG  69          HH22      ARG  69   4.659  -0.517   6.454
  563   1HH2  ARG  69          HH11      ARG  69   7.203  -2.044   8.249
  564   2HH2  ARG  69          HH12      ARG  69   5.606  -1.378   8.316
  565    H    TYR  70           HN       TYR  70  11.730  -4.736   2.086
  566    HA   TYR  70           HA       TYR  70  11.913  -6.994   4.068
  567   1HB   TYR  70           HB2      TYR  70  11.340  -6.933   1.084
  568   2HB   TYR  70           HB1      TYR  70  11.679  -8.420   1.966
  569    HD1  TYR  70           HD2      TYR  70  10.210  -9.000   4.009
  570    HD2  TYR  70           HD1      TYR  70   9.198  -5.991   1.114
  571    HE1  TYR  70           HE2      TYR  70   7.841  -9.068   4.771
  572    HE2  TYR  70           HE1      TYR  70   6.825  -6.042   1.871
  573    HH   TYR  70           HH       TYR  70   5.534  -8.488   3.679
  574    H    GLN  71           HN       GLN  71  13.447  -8.713   2.455
  575    HA   GLN  71           HA       GLN  71  15.839  -7.295   1.533
  576   1HB   GLN  71           HB2      GLN  71  16.041  -7.344   4.056
  577   2HB   GLN  71           HB1      GLN  71  16.086  -9.104   3.952
  578   1HG   GLN  71           HG2      GLN  71  18.027  -8.830   2.319
  579   2HG   GLN  71           HG1      GLN  71  18.062  -7.130   2.787
  580   1HE2  GLN  71          HE22      GLN  71  20.365  -8.287   5.261
  581   2HE2  GLN  71          HE21      GLN  71  20.236  -7.525   3.750
  582    H    ALA  72           HN       ALA  72  15.487  -8.489  -0.390
  583    HA   ALA  72           HA       ALA  72  15.606 -10.353  -1.809
  584   1HB   ALA  72           HB3      ALA  72  17.936 -10.244  -0.805
  585   2HB   ALA  72           HB2      ALA  72  17.415 -11.476   0.343
  586   3HB   ALA  72           HB1      ALA  72  17.449 -11.836  -1.382
  587    H    GLY  73           HN       GLY  73  13.907 -10.406   0.908
  588   1HA   GLY  73           HA2      GLY  73  12.300 -11.881   1.778
  589   2HA   GLY  73           HA1      GLY  73  12.461 -12.790   0.274
  590    H    GLU  74           HN       GLU  74  14.327 -14.311   0.140
  591    HA   GLU  74           HA       GLU  74  15.483 -15.128   2.754
  592   1HB   GLU  74           HB2      GLU  74  13.819 -16.940   0.977
  593   2HB   GLU  74           HB1      GLU  74  14.821 -17.505   2.317
  594   1HG   GLU  74           HG2      GLU  74  13.534 -15.906   3.811
  595   2HG   GLU  74           HG1      GLU  74  12.426 -15.662   2.461
   
  No H/Q in entry =         595
  Start of MODEL          12
 Raw file had  612 H/Q atoms
  Start of MODEL   12
    1   1H    CYS   1           HT3      CYS   1  15.304  12.136  -6.097
    2   2H    CYS   1           HT2      CYS   1  13.641  11.805  -6.199
    3   3H    CYS   1           HT1      CYS   1  14.343  12.972  -7.217
    4    HA   CYS   1           HA       CYS   1  14.694  14.472  -5.461
    5   1HB   CYS   1           HB2      CYS   1  12.419  14.771  -4.592
    6   2HB   CYS   1           HB1      CYS   1  12.357  14.309  -6.294
    7    HG   CYS   1           HG       CYS   1  11.437  12.043  -5.678
    8    H    SER   2           HN       SER   2  15.871  11.899  -4.597
    9    HA   SER   2           HA       SER   2  16.745  11.094  -2.578
   10   1HB   SER   2           HB2      SER   2  16.304  13.643  -1.945
   11   2HB   SER   2           HB1      SER   2  15.041  12.943  -0.941
   12    HG   SER   2           HG       SER   2  16.575  11.728   0.103
   13    H    ASN   3           HN       ASN   3  14.051  10.336  -3.822
   14    HA   ASN   3           HA       ASN   3  12.221   8.949  -3.288
   15   1HB   ASN   3           HB2      ASN   3  14.274   8.004  -1.262
   16   2HB   ASN   3           HB1      ASN   3  12.791   7.137  -1.662
   17   1HD2  ASN   3          HD22      ASN   3  14.327   7.086  -5.220
   18   2HD2  ASN   3          HD21      ASN   3  13.169   8.150  -4.585
   19    H    GLU   4           HN       GLU   4  11.173  11.016  -2.437
   20    HA   GLU   4           HA       GLU   4  11.157  11.613   0.361
   21   1HB   GLU   4           HB2      GLU   4  10.295  13.028  -1.647
   22   2HB   GLU   4           HB1      GLU   4   8.799  12.116  -1.456
   23   1HG   GLU   4           HG2      GLU   4   8.928  12.790   1.039
   24   2HG   GLU   4           HG1      GLU   4  10.124  13.980   0.518
   25    H    LYS   5           HN       LYS   5   9.436  11.183   1.900
   26    HA   LYS   5           HA       LYS   5   8.085   9.673   3.073
   27   1HB   LYS   5           HB2      LYS   5   6.772   8.990   0.460
   28   2HB   LYS   5           HB1      LYS   5   6.036   9.200   2.046
   29   1HG   LYS   5           HG2      LYS   5   7.207  11.398   0.311
   30   2HG   LYS   5           HG1      LYS   5   5.498  11.102   0.595
   31   1HD   LYS   5           HD2      LYS   5   7.530  11.868   2.720
   32   2HD   LYS   5           HD1      LYS   5   6.323  12.937   2.017
   33   1HE   LYS   5           HE2      LYS   5   5.136  12.278   3.886
   34   2HE   LYS   5           HE1      LYS   5   4.678  10.948   2.824
   35   1HZ   LYS   5           HZ2      LYS   5   7.149  10.727   4.395
   36   2HZ   LYS   5           HZ1      LYS   5   5.660  10.501   5.181
   37   3HZ   LYS   5           HZ3      LYS   5   6.086   9.507   3.874
   38    H    ALA   6           HN       ALA   6   9.188   7.930   3.803
   39    HA   ALA   6           HA       ALA   6  10.134   5.788   3.871
   40   1HB   ALA   6           HB1      ALA   6   7.888   5.448   1.878
   41   2HB   ALA   6           HB3      ALA   6   8.874   4.094   2.429
   42   3HB   ALA   6           HB2      ALA   6   7.902   5.006   3.584
   43    H    ARG   7           HN       ARG   7  11.235   4.065   2.511
   44    HA   ARG   7           HA       ARG   7  12.736   5.393   0.303
   45   1HB   ARG   7           HB2      ARG   7  13.407   2.679   1.450
   46   2HB   ARG   7           HB1      ARG   7  14.483   3.886   0.744
   47   1HG   ARG   7           HG2      ARG   7  13.686   5.355   2.798
   48   2HG   ARG   7           HG1      ARG   7  13.283   3.787   3.501
   49   1HD   ARG   7           HD2      ARG   7  15.718   3.139   2.739
   50   2HD   ARG   7           HD1      ARG   7  15.984   4.879   2.720
   51    HE   ARG   7           HE       ARG   7  15.953   3.215   5.037
   52   1HH1  ARG   7          HH21      ARG   7  14.630   6.204   3.922
   53   2HH1  ARG   7          HH22      ARG   7  14.255   6.771   5.510
   54   1HH2  ARG   7          HH11      ARG   7  15.502   3.962   7.103
   55   2HH2  ARG   7          HH12      ARG   7  14.761   5.513   7.308
   56    H    ASP   8           HN       ASP   8  10.204   4.773  -0.511
   57    HA   ASP   8           HA       ASP   8  10.669   2.646  -2.498
   58   1HB   ASP   8           HB2      ASP   8   8.282   2.372  -0.652
   59   2HB   ASP   8           HB1      ASP   8   8.917   1.200  -1.808
   60    H    TRP   9           HN       TRP   9   7.585   2.464  -2.512
   61    HA   TRP   9           HA       TRP   9   7.097   4.440  -4.554
   62   1HB   TRP   9           HB2      TRP   9   5.251   2.648  -2.941
   63   2HB   TRP   9           HB1      TRP   9   4.704   3.672  -4.258
   64    HD1  TRP   9           HD1      TRP   9   7.843   1.383  -4.073
   65    HE1  TRP   9           HE1      TRP   9   7.788  -0.196  -6.097
   66    HE3  TRP   9           HE3      TRP   9   3.346   2.716  -6.097
   67    HZ2  TRP   9           HZ2      TRP   9   6.049  -0.849  -8.283
   68    HZ3  TRP   9           HZ3      TRP   9   2.497   1.586  -8.141
   69    HH2  TRP   9           HH2      TRP   9   3.846  -0.195  -9.236
   70    H    HIS  10           HN       HIS  10   7.057   6.584  -3.952
   71    HA   HIS  10           HA       HIS  10   6.595   7.673  -1.430
   72   1HB   HIS  10           HB2      HIS  10   5.571   8.993  -3.951
   73   2HB   HIS  10           HB1      HIS  10   6.237   9.764  -2.507
   74    HD1  HIS  10           HD1      HIS  10   7.363   9.948  -5.546
   75    HD2  HIS  10           HD2      HIS  10   8.961   7.706  -2.417
   76    HE1  HIS  10           HE1      HIS  10   9.801   9.562  -6.116
   77    H    ARG  11           HN       ARG  11   4.631   8.841  -0.607
   78    HA   ARG  11           HA       ARG  11   2.380   7.160  -0.392
   79   1HB   ARG  11           HB2      ARG  11   1.177   9.124   0.482
   80   2HB   ARG  11           HB1      ARG  11   2.818   9.075   1.124
   81   1HG   ARG  11           HG2      ARG  11   3.531  10.675  -0.645
   82   2HG   ARG  11           HG1      ARG  11   1.861  10.771  -1.203
   83   1HD   ARG  11           HD2      ARG  11   1.131  11.690   0.905
   84   2HD   ARG  11           HD1      ARG  11   2.722  11.430   1.621
   85    HE   ARG  11           HE       ARG  11   3.261  13.059  -0.541
   86   1HH1  ARG  11          HH21      ARG  11   1.071  13.120   2.123
   87   2HH1  ARG  11          HH22      ARG  11   1.038  14.849   2.226
   88   1HH2  ARG  11          HH11      ARG  11   3.231  15.313  -0.419
   89   2HH2  ARG  11          HH12      ARG  11   2.264  16.089   0.790
   90    H    ALA  12           HN       ALA  12   3.148   9.595  -2.804
   91    HA   ALA  12           HA       ALA  12   0.501   9.491  -4.051
   92   1HB   ALA  12           HB3      ALA  12   1.991  11.517  -4.116
   93   2HB   ALA  12           HB2      ALA  12   3.085  10.617  -5.166
   94   3HB   ALA  12           HB1      ALA  12   1.448  10.987  -5.708
   95    H    ASP  13           HN       ASP  13   3.602   7.862  -4.449
   96    HA   ASP  13           HA       ASP  13   3.043   6.815  -7.082
   97   1HB   ASP  13           HB2      ASP  13   4.891   5.919  -4.879
   98   2HB   ASP  13           HB1      ASP  13   4.787   5.077  -6.424
   99    H    VAL  14           HN       VAL  14   2.035   6.021  -3.890
  100    HA   VAL  14           HA       VAL  14   1.188   3.303  -4.515
  101    HB   VAL  14           HB       VAL  14   0.595   5.188  -2.219
  102   1HG1  VAL  14          HG13      VAL  14  -0.425   2.409  -2.792
  103   2HG1  VAL  14          HG12      VAL  14  -0.259   2.995  -1.135
  104   3HG1  VAL  14          HG11      VAL  14  -1.328   3.829  -2.264
  105   1HG2  VAL  14          HG22      VAL  14   2.279   2.678  -2.483
  106   2HG2  VAL  14          HG21      VAL  14   2.883   4.325  -2.301
  107   3HG2  VAL  14          HG23      VAL  14   2.011   3.555  -0.975
  108    H    ILE  15           HN       ILE  15  -0.594   6.343  -3.845
  109    HA   ILE  15           HA       ILE  15  -3.068   5.185  -4.877
  110    HB   ILE  15           HB       ILE  15  -2.491   8.099  -4.285
  111   1HG1  ILE  15          HG12      ILE  15  -3.579   5.959  -2.422
  112   2HG1  ILE  15          HG11      ILE  15  -1.921   6.557  -2.371
  113   1HG2  ILE  15          HG23      ILE  15  -4.587   7.473  -5.560
  114   2HG2  ILE  15          HG22      ILE  15  -5.073   6.507  -4.166
  115   3HG2  ILE  15          HG21      ILE  15  -4.893   8.256  -4.012
  116   1HD1  ILE  15          HD13      ILE  15  -2.992   8.906  -2.157
  117   2HD1  ILE  15          HD12      ILE  15  -4.466   8.035  -1.734
  118   3HD1  ILE  15          HD11      ILE  15  -3.019   7.851  -0.746
  119    H    ALA  16           HN       ALA  16  -0.809   7.729  -6.057
  120    HA   ALA  16           HA       ALA  16  -2.225   8.311  -8.444
  121   1HB   ALA  16           HB3      ALA  16  -0.100   9.453  -7.503
  122   2HB   ALA  16           HB2      ALA  16   0.789   8.198  -8.369
  123   3HB   ALA  16           HB1      ALA  16  -0.249   9.314  -9.255
  124    H    GLY  17           HN       GLY  17   0.227   5.818  -7.812
  125   1HA   GLY  17           HA2      GLY  17   0.224   4.747 -10.480
  126   2HA   GLY  17           HA1      GLY  17   0.815   3.916  -9.041
  127    H    LEU  18           HN       LEU  18  -1.370   3.582  -7.485
  128    HA   LEU  18           HA       LEU  18  -2.779   1.445  -8.764
  129   1HB   LEU  18           HB2      LEU  18  -3.200   3.008  -6.218
  130   2HB   LEU  18           HB1      LEU  18  -4.352   1.772  -6.702
  131    HG   LEU  18           HG       LEU  18  -1.399   1.143  -6.598
  132   1HD1  LEU  18          HD11      LEU  18  -2.347   2.096  -4.349
  133   2HD1  LEU  18          HD13      LEU  18  -3.226   0.573  -4.261
  134   3HD1  LEU  18          HD12      LEU  18  -1.463   0.580  -4.322
  135   1HD2  LEU  18          HD23      LEU  18  -3.957  -0.482  -6.376
  136   2HD2  LEU  18          HD22      LEU  18  -2.772  -0.543  -7.676
  137   3HD2  LEU  18          HD21      LEU  18  -2.356  -1.148  -6.078
  138    H    LYS  19           HN       LYS  19  -3.965   4.649  -7.740
  139    HA   LYS  19           HA       LYS  19  -6.514   4.479  -8.956
  140   1HB   LYS  19           HB2      LYS  19  -5.515   6.264  -7.337
  141   2HB   LYS  19           HB1      LYS  19  -4.966   7.067  -8.805
  142   1HG   LYS  19           HG2      LYS  19  -7.347   6.969  -9.646
  143   2HG   LYS  19           HG1      LYS  19  -7.818   6.382  -8.050
  144   1HD   LYS  19           HD2      LYS  19  -6.533   8.505  -7.177
  145   2HD   LYS  19           HD1      LYS  19  -6.739   9.088  -8.829
  146   1HE   LYS  19           HE2      LYS  19  -9.221   8.552  -8.572
  147   2HE   LYS  19           HE1      LYS  19  -8.897   8.324  -6.853
  148   1HZ   LYS  19           HZ1      LYS  19  -7.781  10.625  -7.059
  149   2HZ   LYS  19           HZ3      LYS  19  -8.720  10.782  -8.462
  150   3HZ   LYS  19           HZ2      LYS  19  -9.474  10.534  -6.960
  151    H    LYS  20           HN       LYS  20  -3.455   4.619 -10.433
  152    HA   LYS  20           HA       LYS  20  -3.969   6.150 -12.751
  153   1HB   LYS  20           HB2      LYS  20  -1.750   5.063 -12.102
  154   2HB   LYS  20           HB1      LYS  20  -2.408   3.553 -12.733
  155   1HG   LYS  20           HG2      LYS  20  -2.868   4.807 -14.905
  156   2HG   LYS  20           HG1      LYS  20  -1.887   6.120 -14.250
  157   1HD   LYS  20           HD2      LYS  20   0.020   4.595 -13.993
  158   2HD   LYS  20           HD1      LYS  20  -0.953   3.256 -14.599
  159   1HE   LYS  20           HE2      LYS  20  -1.279   4.525 -16.734
  160   2HE   LYS  20           HE1      LYS  20  -0.173   5.756 -16.126
  161   1HZ   LYS  20           HZ1      LYS  20   0.741   2.989 -16.035
  162   2HZ   LYS  20           HZ3      LYS  20   0.641   3.710 -17.567
  163   3HZ   LYS  20           HZ2      LYS  20   1.610   4.412 -16.362
  164    H    ARG  21           HN       ARG  21  -5.007   2.971 -11.814
  165    HA   ARG  21           HA       ARG  21  -6.353   2.563 -14.440
  166   1HB   ARG  21           HB2      ARG  21  -5.935   0.793 -12.004
  167   2HB   ARG  21           HB1      ARG  21  -6.957   0.335 -13.367
  168   1HG   ARG  21           HG2      ARG  21  -5.086   0.408 -14.890
  169   2HG   ARG  21           HG1      ARG  21  -4.058   1.146 -13.674
  170   1HD   ARG  21           HD2      ARG  21  -3.465  -0.881 -12.838
  171   2HD   ARG  21           HD1      ARG  21  -5.145  -1.370 -12.648
  172    HE   ARG  21           HE       ARG  21  -3.335  -2.323 -14.630
  173   1HH1  ARG  21          HH21      ARG  21  -6.521  -1.003 -14.453
  174   2HH1  ARG  21          HH22      ARG  21  -7.037  -1.728 -15.936
  175   1HH2  ARG  21          HH11      ARG  21  -3.999  -3.273 -16.551
  176   2HH2  ARG  21          HH12      ARG  21  -5.615  -3.011 -17.121
  177    H    LYS  22           HN       LYS  22  -7.605   1.392 -11.410
  178    HA   LYS  22           HA       LYS  22  -9.469   3.618 -11.095
  179   1HB   LYS  22           HB2      LYS  22 -10.420   0.883 -12.013
  180   2HB   LYS  22           HB1      LYS  22 -11.485   2.041 -11.220
  181   1HG   LYS  22           HG2      LYS  22 -10.747   3.721 -13.020
  182   2HG   LYS  22           HG1      LYS  22 -10.065   2.336 -13.874
  183   1HD   LYS  22           HD2      LYS  22 -12.364   1.237 -13.634
  184   2HD   LYS  22           HD1      LYS  22 -12.958   2.823 -13.141
  185   1HE   LYS  22           HE2      LYS  22 -13.346   2.787 -15.467
  186   2HE   LYS  22           HE1      LYS  22 -11.838   3.687 -15.319
  187   1HZ   LYS  22           HZ3      LYS  22 -11.079   1.060 -15.436
  188   2HZ   LYS  22           HZ2      LYS  22 -12.330   1.179 -16.579
  189   3HZ   LYS  22           HZ1      LYS  22 -10.972   2.193 -16.693
  190    H    LEU  23           HN       LEU  23  -7.742   3.084  -9.211
  191    HA   LEU  23           HA       LEU  23  -9.259   1.519  -7.149
  192   1HB   LEU  23           HB2      LEU  23  -6.318   1.405  -7.805
  193   2HB   LEU  23           HB1      LEU  23  -6.936   0.883  -6.244
  194    HG   LEU  23           HG       LEU  23  -7.770  -0.243  -8.937
  195   1HD1  LEU  23          HD12      LEU  23  -5.425  -0.739  -8.177
  196   2HD1  LEU  23          HD11      LEU  23  -6.102  -1.480  -6.727
  197   3HD1  LEU  23          HD13      LEU  23  -6.441  -2.173  -8.315
  198   1HD2  LEU  23          HD21      LEU  23  -8.698  -0.690  -6.107
  199   2HD2  LEU  23          HD23      LEU  23  -9.630  -0.715  -7.605
  200   3HD2  LEU  23          HD22      LEU  23  -8.613  -2.088  -7.178
  201    H    SER  24           HN       SER  24  -8.964   2.236  -5.002
  202    HA   SER  24           HA       SER  24  -7.349   4.649  -4.488
  203   1HB   SER  24           HB2      SER  24  -9.206   5.972  -3.662
  204   2HB   SER  24           HB1      SER  24  -9.584   5.479  -5.311
  205    HG   SER  24           HG       SER  24 -10.347   3.736  -3.295
  206    H    LEU  25           HN       LEU  25  -6.566   4.527  -2.372
  207    HA   LEU  25           HA       LEU  25  -6.741   2.219  -0.831
  208   1HB   LEU  25           HB2      LEU  25  -6.427   5.076   0.117
  209   2HB   LEU  25           HB1      LEU  25  -6.210   3.674   1.169
  210    HG   LEU  25           HG       LEU  25  -4.693   3.894  -1.438
  211   1HD1  LEU  25          HD13      LEU  25  -4.279   5.971  -0.134
  212   2HD1  LEU  25          HD12      LEU  25  -3.798   4.985   1.247
  213   3HD1  LEU  25          HD11      LEU  25  -2.843   4.954  -0.236
  214   1HD2  LEU  25          HD21      LEU  25  -4.291   2.425   1.189
  215   2HD2  LEU  25          HD23      LEU  25  -4.528   1.727  -0.414
  216   3HD2  LEU  25          HD22      LEU  25  -3.027   2.560  -0.028
  217    H    SER  26           HN       SER  26  -9.029   4.889  -0.944
  218    HA   SER  26           HA       SER  26 -10.583   3.992   1.337
  219   1HB   SER  26           HB2      SER  26 -12.355   5.515   0.252
  220   2HB   SER  26           HB1      SER  26 -10.851   6.282   0.754
  221    HG   SER  26           HG       SER  26 -10.234   6.446  -1.310
  222    H    ALA  27           HN       ALA  27 -10.572   3.345  -2.113
  223    HA   ALA  27           HA       ALA  27 -13.128   2.016  -2.211
  224   1HB   ALA  27           HB1      ALA  27 -10.677   1.851  -3.985
  225   2HB   ALA  27           HB3      ALA  27 -12.188   1.014  -4.340
  226   3HB   ALA  27           HB2      ALA  27 -12.150   2.775  -4.280
  227    H    LEU  28           HN       LEU  28  -9.784   0.836  -1.785
  228    HA   LEU  28           HA       LEU  28 -10.434  -1.937  -1.718
  229   1HB   LEU  28           HB2      LEU  28  -8.247  -0.928   0.081
  230   2HB   LEU  28           HB1      LEU  28  -8.246  -2.299  -1.025
  231    HG   LEU  28           HG       LEU  28  -8.110   0.618  -1.823
  232   1HD1  LEU  28          HD13      LEU  28  -6.049  -0.282  -0.775
  233   2HD1  LEU  28          HD12      LEU  28  -6.035  -1.579  -1.971
  234   3HD1  LEU  28          HD11      LEU  28  -5.820   0.095  -2.482
  235   1HD2  LEU  28          HD22      LEU  28  -8.150  -1.952  -3.418
  236   2HD2  LEU  28          HD21      LEU  28  -9.245  -0.577  -3.566
  237   3HD2  LEU  28          HD23      LEU  28  -7.566  -0.427  -4.082
  238    H    SER  29           HN       SER  29 -10.680   0.601   0.683
  239    HA   SER  29           HA       SER  29 -10.993  -1.090   2.984
  240   1HB   SER  29           HB2      SER  29 -10.892   0.955   3.970
  241   2HB   SER  29           HB1      SER  29 -11.017   1.714   2.389
  242    HG   SER  29           HG       SER  29 -13.167   1.884   2.627
  243    H    ARG  30           HN       ARG  30 -13.493   0.646   1.050
  244    HA   ARG  30           HA       ARG  30 -15.665  -0.682   2.392
  245   1HB   ARG  30           HB2      ARG  30 -17.019   0.158   0.409
  246   2HB   ARG  30           HB1      ARG  30 -16.153   1.397   1.317
  247   1HG   ARG  30           HG2      ARG  30 -14.443   1.554  -0.329
  248   2HG   ARG  30           HG1      ARG  30 -14.959   0.065  -1.118
  249   1HD   ARG  30           HD2      ARG  30 -15.658   2.187  -2.310
  250   2HD   ARG  30           HD1      ARG  30 -16.984   1.098  -1.911
  251    HE   ARG  30           HE       ARG  30 -16.861   2.807   0.264
  252   1HH1  ARG  30          HH21      ARG  30 -17.066   3.128  -3.162
  253   2HH1  ARG  30          HH22      ARG  30 -17.961   4.611  -3.103
  254   1HH2  ARG  30          HH11      ARG  30 -18.028   4.742   0.361
  255   2HH2  ARG  30          HH12      ARG  30 -18.504   5.523  -1.109
  256    H    GLN  31           HN       GLN  31 -13.633  -1.604  -0.290
  257    HA   GLN  31           HA       GLN  31 -15.422  -3.504  -1.485
  258   1HB   GLN  31           HB2      GLN  31 -12.438  -3.108  -1.488
  259   2HB   GLN  31           HB1      GLN  31 -13.116  -4.571  -2.194
  260   1HG   GLN  31           HG2      GLN  31 -14.529  -3.219  -3.685
  261   2HG   GLN  31           HG1      GLN  31 -13.891  -1.739  -2.965
  262   1HE2  GLN  31          HE22      GLN  31 -10.629  -3.471  -4.447
  263   2HE2  GLN  31          HE21      GLN  31 -11.343  -3.887  -2.966
  264    H    PHE  32           HN       PHE  32 -13.179  -3.697   1.245
  265    HA   PHE  32           HA       PHE  32 -13.919  -6.575   1.636
  266   1HB   PHE  32           HB2      PHE  32 -11.634  -4.858   2.643
  267   2HB   PHE  32           HB1      PHE  32 -12.029  -6.406   3.394
  268    HD1  PHE  32           HD1      PHE  32 -10.921  -4.760   0.257
  269    HD2  PHE  32           HD2      PHE  32 -11.663  -8.508   2.249
  270    HE1  PHE  32           HE1      PHE  32  -9.787  -5.971  -1.599
  271    HE2  PHE  32           HE2      PHE  32 -10.525  -9.718   0.398
  272    HZ   PHE  32           HZ       PHE  32  -9.589  -8.450  -1.527
  273    H    GLY  33           HN       GLY  33 -14.421  -3.386   2.902
  274   1HA   GLY  33           HA2      GLY  33 -16.143  -2.791   4.423
  275   2HA   GLY  33           HA1      GLY  33 -16.335  -4.490   4.837
  276    H    TYR  34           HN       TYR  34 -13.045  -3.778   5.083
  277    HA   TYR  34           HA       TYR  34 -13.054  -4.073   7.911
  278   1HB   TYR  34           HB2      TYR  34 -10.982  -3.014   5.983
  279   2HB   TYR  34           HB1      TYR  34 -10.690  -2.965   7.721
  280    HD1  TYR  34           HD2      TYR  34 -11.487  -5.345   8.930
  281    HD2  TYR  34           HD1      TYR  34 -10.038  -4.855   4.894
  282    HE1  TYR  34           HE2      TYR  34 -10.818  -7.734   8.877
  283    HE2  TYR  34           HE1      TYR  34  -9.362  -7.247   4.852
  284    HH   TYR  34           HH       TYR  34 -10.254  -9.458   7.429
  285    H    ALA  35           HN       ALA  35 -11.740  -1.107   6.496
  286    HA   ALA  35           HA       ALA  35 -13.697   0.674   7.563
  287   1HB   ALA  35           HB1      ALA  35 -12.544  -0.286   9.687
  288   2HB   ALA  35           HB3      ALA  35 -11.159   0.688   9.205
  289   3HB   ALA  35           HB2      ALA  35 -12.700   1.462   9.569
  290    HA   PRO  36           HA       PRO  36 -11.328   3.219   4.785
  291   1HB   PRO  36           HB2      PRO  36 -11.806   5.732   6.089
  292   2HB   PRO  36           HB1      PRO  36 -12.702   5.052   4.724
  293   1HG   PRO  36           HG2      PRO  36 -13.535   5.256   7.533
  294   2HG   PRO  36           HG1      PRO  36 -14.511   4.834   6.118
  295   1HD   PRO  36           HD2      PRO  36 -13.631   3.042   8.148
  296   2HD   PRO  36           HD1      PRO  36 -14.376   2.601   6.598
  297    H    THR  37           HN       THR  37 -10.961   3.780   8.277
  298    HA   THR  37           HA       THR  37  -8.320   4.981   8.003
  299    HB   THR  37           HB       THR  37  -8.248   4.697  10.496
  300    HG1  THR  37           HG1      THR  37 -10.210   3.934  11.435
  301   1HG2  THR  37          HG21      THR  37  -9.361   6.646   9.281
  302   2HG2  THR  37          HG23      THR  37 -10.897   5.835   9.584
  303   3HG2  THR  37          HG22      THR  37  -9.898   6.367  10.937
  304    H    THR  38           HN       THR  38  -9.567   1.719   8.384
  305    HA   THR  38           HA       THR  38  -7.253   0.447   9.403
  306    HB   THR  38           HB       THR  38  -9.351  -0.539   7.445
  307    HG1  THR  38           HG1      THR  38  -8.846  -1.229  10.140
  308   1HG2  THR  38          HG23      THR  38  -6.952  -1.933   8.613
  309   2HG2  THR  38          HG22      THR  38  -8.414  -2.834   8.212
  310   3HG2  THR  38          HG21      THR  38  -7.545  -1.958   6.952
  311    H    LEU  39           HN       LEU  39  -8.176   0.579   5.942
  312    HA   LEU  39           HA       LEU  39  -5.729  -0.259   4.901
  313   1HB   LEU  39           HB2      LEU  39  -8.120   0.705   3.852
  314   2HB   LEU  39           HB1      LEU  39  -6.976   1.930   3.329
  315    HG   LEU  39           HG       LEU  39  -6.965   0.384   1.564
  316   1HD1  LEU  39          HD12      LEU  39  -4.623   0.743   2.896
  317   2HD1  LEU  39          HD11      LEU  39  -4.728  -1.018   2.978
  318   3HD1  LEU  39          HD13      LEU  39  -4.745  -0.197   1.414
  319   1HD2  LEU  39          HD22      LEU  39  -6.952  -1.809   3.666
  320   2HD2  LEU  39          HD21      LEU  39  -8.298  -1.362   2.620
  321   3HD2  LEU  39          HD23      LEU  39  -6.848  -2.091   1.929
  322    H    ALA  40           HN       ALA  40  -6.732   3.084   5.650
  323    HA   ALA  40           HA       ALA  40  -4.388   4.412   4.819
  324   1HB   ALA  40           HB2      ALA  40  -6.578   5.427   5.674
  325   2HB   ALA  40           HB1      ALA  40  -5.939   5.170   7.298
  326   3HB   ALA  40           HB3      ALA  40  -5.093   6.236   6.177
  327    H    ASN  41           HN       ASN  41  -5.130   3.493   8.198
  328    HA   ASN  41           HA       ASN  41  -2.581   4.029   9.266
  329   1HB   ASN  41           HB2      ASN  41  -4.658   1.983  10.092
  330   2HB   ASN  41           HB1      ASN  41  -3.227   2.364  11.054
  331   1HD2  ASN  41          HD22      ASN  41  -6.416   4.790  11.284
  332   2HD2  ASN  41          HD21      ASN  41  -6.464   3.269  10.533
  333    H    ALA  42           HN       ALA  42  -3.436   1.568   7.055
  334    HA   ALA  42           HA       ALA  42  -1.502  -0.413   7.916
  335   1HB   ALA  42           HB1      ALA  42  -3.532  -0.743   6.338
  336   2HB   ALA  42           HB3      ALA  42  -2.483  -0.093   5.078
  337   3HB   ALA  42           HB2      ALA  42  -2.033  -1.574   5.921
  338    H    LEU  43           HN       LEU  43  -1.095   2.654   6.741
  339    HA   LEU  43           HA       LEU  43   1.222   2.090   5.015
  340   1HB   LEU  43           HB2      LEU  43   0.130   4.723   6.048
  341   2HB   LEU  43           HB1      LEU  43   1.362   4.541   4.801
  342    HG   LEU  43           HG       LEU  43  -1.383   3.289   4.550
  343   1HD1  LEU  43          HD13      LEU  43  -0.458   6.015   3.598
  344   2HD1  LEU  43          HD12      LEU  43  -1.975   5.244   3.133
  345   3HD1  LEU  43          HD11      LEU  43  -1.696   5.698   4.815
  346   1HD2  LEU  43          HD21      LEU  43   0.893   3.898   2.641
  347   2HD2  LEU  43          HD23      LEU  43   0.148   2.338   2.983
  348   3HD2  LEU  43          HD22      LEU  43  -0.736   3.555   2.071
  349    H    GLU  44           HN       GLU  44   0.622   2.895   8.370
  350    HA   GLU  44           HA       GLU  44   3.590   2.970   8.814
  351   1HB   GLU  44           HB2      GLU  44   3.248   4.677  10.550
  352   2HB   GLU  44           HB1      GLU  44   2.683   5.258   8.985
  353   1HG   GLU  44           HG2      GLU  44   0.364   4.521   9.624
  354   2HG   GLU  44           HG1      GLU  44   0.981   4.155  11.235
  355    H    ARG  45           HN       ARG  45   0.434   1.927   9.911
  356    HA   ARG  45           HA       ARG  45   1.382   1.012  12.505
  357   1HB   ARG  45           HB2      ARG  45  -1.022   1.569  11.989
  358   2HB   ARG  45           HB1      ARG  45  -1.090   0.100  11.010
  359   1HG   ARG  45           HG2      ARG  45  -0.436  -1.239  12.978
  360   2HG   ARG  45           HG1      ARG  45  -0.394   0.222  13.962
  361   1HD   ARG  45           HD2      ARG  45  -2.920   0.383  12.853
  362   2HD   ARG  45           HD1      ARG  45  -2.734  -1.358  13.046
  363    HE   ARG  45           HE       ARG  45  -3.368   0.411  15.129
  364   1HH1  ARG  45          HH21      ARG  45  -0.909  -1.923  14.450
  365   2HH1  ARG  45          HH22      ARG  45  -0.519  -2.177  16.113
  366   1HH2  ARG  45          HH11      ARG  45  -2.874   0.068  17.291
  367   2HH2  ARG  45          HH12      ARG  45  -1.631  -1.062  17.719
  368    H    HIS  46           HN       HIS  46   1.956  -1.102  13.101
  369    HA   HIS  46           HA       HIS  46   3.221  -2.731  11.095
  370   1HB   HIS  46           HB2      HIS  46   2.467  -3.233  13.987
  371   2HB   HIS  46           HB1      HIS  46   3.300  -4.440  13.003
  372    HD1  HIS  46           HD1      HIS  46   4.024  -0.768  12.629
  373    HD2  HIS  46           HD2      HIS  46   5.770  -4.131  14.369
  374    HE1  HIS  46           HE1      HIS  46   6.378  -0.097  13.285
  375    H    TRP  47           HN       TRP  47   1.751  -3.439   9.514
  376    HA   TRP  47           HA       TRP  47   0.045  -5.675  10.251
  377   1HB   TRP  47           HB2      TRP  47  -1.392  -3.754  10.900
  378   2HB   TRP  47           HB1      TRP  47  -1.269  -3.125   9.257
  379    HD1  TRP  47           HD1      TRP  47  -1.982  -6.730  10.524
  380    HE1  TRP  47           HE1      TRP  47  -4.131  -7.557   9.377
  381    HE3  TRP  47           HE3      TRP  47  -3.249  -2.529   7.893
  382    HZ2  TRP  47           HZ2      TRP  47  -6.133  -6.578   7.578
  383    HZ3  TRP  47           HZ3      TRP  47  -5.289  -2.502   6.473
  384    HH2  TRP  47           HH2      TRP  47  -6.732  -4.520   6.318
  385    HA   PRO  48           HA       PRO  48   1.971  -5.403   5.989
  386   1HB   PRO  48           HB2      PRO  48   2.532  -8.260   6.372
  387   2HB   PRO  48           HB1      PRO  48   3.665  -6.933   6.070
  388   1HG   PRO  48           HG2      PRO  48   3.319  -8.288   8.536
  389   2HG   PRO  48           HG1      PRO  48   4.200  -6.769   8.298
  390   1HD   PRO  48           HD2      PRO  48   1.591  -7.192   9.574
  391   2HD   PRO  48           HD1      PRO  48   2.600  -5.722   9.573
  392    H    LYS  49           HN       LYS  49  -0.572  -7.239   7.472
  393    HA   LYS  49           HA       LYS  49  -1.359  -8.722   5.109
  394   1HB   LYS  49           HB2      LYS  49  -2.081  -9.093   7.597
  395   2HB   LYS  49           HB1      LYS  49  -3.293  -7.860   7.262
  396   1HG   LYS  49           HG2      LYS  49  -4.483  -9.778   6.689
  397   2HG   LYS  49           HG1      LYS  49  -3.793  -9.350   5.125
  398   1HD   LYS  49           HD2      LYS  49  -1.976 -10.952   5.448
  399   2HD   LYS  49           HD1      LYS  49  -2.553 -11.320   7.073
  400   1HE   LYS  49           HE2      LYS  49  -4.308 -11.675   4.638
  401   2HE   LYS  49           HE1      LYS  49  -3.238 -12.955   5.213
  402   1HZ   LYS  49           HZ1      LYS  49  -5.221 -11.599   6.950
  403   2HZ   LYS  49           HZ3      LYS  49  -5.562 -13.023   6.095
  404   3HZ   LYS  49           HZ2      LYS  49  -4.347 -13.018   7.282
  405    H    GLY  50           HN       GLY  50  -1.868  -5.466   6.267
  406   1HA   GLY  50           HA2      GLY  50  -4.097  -4.810   4.532
  407   2HA   GLY  50           HA1      GLY  50  -3.023  -3.646   5.317
  408    H    GLU  51           HN       GLU  51  -0.628  -5.006   4.154
  409    HA   GLU  51           HA       GLU  51  -0.480  -3.467   1.708
  410   1HB   GLU  51           HB2      GLU  51   1.329  -5.476   3.066
  411   2HB   GLU  51           HB1      GLU  51   1.716  -4.829   1.473
  412   1HG   GLU  51           HG2      GLU  51   2.770  -3.553   3.361
  413   2HG   GLU  51           HG1      GLU  51   1.740  -2.570   2.321
  414    H    GLN  52           HN       GLN  52  -1.102  -6.822   2.563
  415    HA   GLN  52           HA       GLN  52  -0.844  -7.970  -0.037
  416   1HB   GLN  52           HB2      GLN  52  -2.616  -8.723   2.308
  417   2HB   GLN  52           HB1      GLN  52  -2.441  -9.712   0.859
  418   1HG   GLN  52           HG2      GLN  52  -0.037  -8.812   2.452
  419   2HG   GLN  52           HG1      GLN  52  -0.918 -10.282   2.866
  420   1HE2  GLN  52          HE22      GLN  52   1.673 -11.468   0.560
  421   2HE2  GLN  52          HE21      GLN  52   1.539 -10.954   2.172
  422    H    ILE  53           HN       ILE  53  -3.576  -6.376   1.599
  423    HA   ILE  53           HA       ILE  53  -5.564  -6.875  -0.368
  424    HB   ILE  53           HB       ILE  53  -5.254  -4.323   1.245
  425   1HG1  ILE  53          HG12      ILE  53  -6.636  -6.917   2.009
  426   2HG1  ILE  53          HG11      ILE  53  -5.085  -6.381   2.658
  427   1HG2  ILE  53          HG22      ILE  53  -6.992  -4.439  -0.615
  428   2HG2  ILE  53          HG21      ILE  53  -7.764  -5.732   0.303
  429   3HG2  ILE  53          HG23      ILE  53  -7.632  -4.113   0.992
  430   1HD1  ILE  53          HD13      ILE  53  -6.356  -4.206   3.311
  431   2HD1  ILE  53          HD12      ILE  53  -7.816  -5.164   3.066
  432   3HD1  ILE  53          HD11      ILE  53  -6.636  -5.653   4.278
  433    H    ILE  54           HN       ILE  54  -3.246  -4.161  -0.101
  434    HA   ILE  54           HA       ILE  54  -4.093  -2.810  -2.475
  435    HB   ILE  54           HB       ILE  54  -1.466  -2.855  -0.969
  436   1HG1  ILE  54          HG12      ILE  54  -3.633  -0.745  -1.222
  437   2HG1  ILE  54          HG11      ILE  54  -3.529  -1.899   0.108
  438   1HG2  ILE  54          HG22      ILE  54  -2.263  -1.400  -3.481
  439   2HG2  ILE  54          HG21      ILE  54  -1.158  -0.625  -2.346
  440   3HG2  ILE  54          HG23      ILE  54  -0.730  -2.167  -3.085
  441   1HD1  ILE  54          HD12      ILE  54  -0.999  -0.905   0.205
  442   2HD1  ILE  54          HD11      ILE  54  -1.837   0.503  -0.446
  443   3HD1  ILE  54          HD13      ILE  54  -2.336  -0.185   1.096
  444    H    ALA  55           HN       ALA  55  -1.256  -4.952  -1.988
  445    HA   ALA  55           HA       ALA  55  -0.475  -5.024  -4.720
  446   1HB   ALA  55           HB2      ALA  55   0.742  -5.859  -2.577
  447   2HB   ALA  55           HB1      ALA  55  -0.101  -7.376  -2.871
  448   3HB   ALA  55           HB3      ALA  55   1.005  -6.732  -4.085
  449    H    ASN  56           HN       ASN  56  -2.798  -6.989  -2.933
  450    HA   ASN  56           HA       ASN  56  -3.183  -9.053  -4.824
  451   1HB   ASN  56           HB2      ASN  56  -5.048  -7.756  -2.831
  452   2HB   ASN  56           HB1      ASN  56  -5.551  -9.111  -3.836
  453   1HD2  ASN  56          HD22      ASN  56  -4.300 -11.084  -1.134
  454   2HD2  ASN  56          HD21      ASN  56  -5.708 -10.478  -1.865
  455    H    ALA  57           HN       ALA  57  -4.656  -5.827  -4.643
  456    HA   ALA  57           HA       ALA  57  -6.476  -6.187  -6.814
  457   1HB   ALA  57           HB3      ALA  57  -6.352  -4.272  -5.075
  458   2HB   ALA  57           HB2      ALA  57  -5.165  -3.550  -6.160
  459   3HB   ALA  57           HB1      ALA  57  -6.808  -3.852  -6.726
  460    H    LEU  58           HN       LEU  58  -3.045  -5.448  -6.723
  461    HA   LEU  58           HA       LEU  58  -2.996  -4.803  -9.613
  462   1HB   LEU  58           HB2      LEU  58  -0.928  -4.867  -7.413
  463   2HB   LEU  58           HB1      LEU  58  -0.456  -4.702  -9.098
  464    HG   LEU  58           HG       LEU  58  -2.495  -2.864  -7.817
  465   1HD1  LEU  58          HD12      LEU  58   0.526  -2.598  -7.938
  466   2HD1  LEU  58          HD11      LEU  58  -0.556  -1.257  -7.568
  467   3HD1  LEU  58          HD13      LEU  58  -0.480  -2.650  -6.490
  468   1HD2  LEU  58          HD23      LEU  58  -0.817  -2.819 -10.345
  469   2HD2  LEU  58          HD22      LEU  58  -2.562  -2.636 -10.186
  470   3HD2  LEU  58          HD21      LEU  58  -1.495  -1.337  -9.676
  471    H    GLU  59           HN       GLU  59  -3.452  -7.580  -8.121
  472    HA   GLU  59           HA       GLU  59  -2.906  -9.820  -8.560
  473   1HB   GLU  59           HB2      GLU  59  -2.403  -8.481 -11.215
  474   2HB   GLU  59           HB1      GLU  59  -2.234 -10.223 -10.996
  475   1HG   GLU  59           HG2      GLU  59  -4.730  -8.726 -10.178
  476   2HG   GLU  59           HG1      GLU  59  -4.520  -9.418 -11.779
  477    H    THR  60           HN       THR  60  -0.681  -7.702  -7.843
  478    HA   THR  60           HA       THR  60   1.670  -9.403  -8.622
  479    HB   THR  60           HB       THR  60   1.613  -6.937  -9.320
  480    HG1  THR  60           HG1      THR  60   3.618  -7.505  -9.414
  481   1HG2  THR  60          HG23      THR  60   0.775  -6.366  -6.845
  482   2HG2  THR  60          HG22      THR  60   2.511  -6.291  -6.537
  483   3HG2  THR  60          HG21      THR  60   1.787  -5.236  -7.749
  484    H    LYS  61           HN       LYS  61   3.483  -8.614  -6.745
  485    HA   LYS  61           HA       LYS  61   2.304  -9.690  -4.225
  486   1HB   LYS  61           HB2      LYS  61   5.245  -9.587  -4.911
  487   2HB   LYS  61           HB1      LYS  61   4.439 -10.634  -3.745
  488   1HG   LYS  61           HG2      LYS  61   4.592 -12.172  -5.456
  489   2HG   LYS  61           HG1      LYS  61   3.108 -11.399  -5.987
  490   1HD   LYS  61           HD2      LYS  61   4.715  -9.765  -7.261
  491   2HD   LYS  61           HD1      LYS  61   5.914 -11.035  -7.028
  492   1HE   LYS  61           HE2      LYS  61   3.231 -11.329  -8.411
  493   2HE   LYS  61           HE1      LYS  61   4.817 -11.357  -9.182
  494   1HZ   LYS  61           HZ1      LYS  61   4.430 -13.227  -6.995
  495   2HZ   LYS  61           HZ3      LYS  61   3.533 -13.544  -8.399
  496   3HZ   LYS  61           HZ2      LYS  61   5.227 -13.438  -8.482
  497    HA   PRO  62           HA       PRO  62   3.034  -5.759  -2.304
  498   1HB   PRO  62           HB2      PRO  62   3.855  -6.654   0.267
  499   2HB   PRO  62           HB1      PRO  62   2.199  -6.313  -0.249
  500   1HG   PRO  62           HG2      PRO  62   3.505  -8.937   0.150
  501   2HG   PRO  62           HG1      PRO  62   1.779  -8.549   0.081
  502   1HD   PRO  62           HD2      PRO  62   3.255  -9.824  -1.960
  503   2HD   PRO  62           HD1      PRO  62   1.650  -9.086  -2.146
  504    H    GLU  63           HN       GLU  63   5.544  -8.228  -2.067
  505    HA   GLU  63           HA       GLU  63   7.684  -6.588  -1.172
  506   1HB   GLU  63           HB2      GLU  63   9.137  -8.243  -2.440
  507   2HB   GLU  63           HB1      GLU  63   8.024  -8.959  -1.273
  508   1HG   GLU  63           HG2      GLU  63   6.526  -9.671  -2.962
  509   2HG   GLU  63           HG1      GLU  63   7.255  -8.617  -4.175
  510    H    VAL  64           HN       VAL  64   5.812  -6.145  -3.882
  511    HA   VAL  64           HA       VAL  64   8.013  -5.159  -5.617
  512    HB   VAL  64           HB       VAL  64   5.017  -5.238  -6.081
  513   1HG1  VAL  64          HG12      VAL  64   7.376  -4.571  -7.862
  514   2HG1  VAL  64          HG11      VAL  64   5.766  -4.937  -8.485
  515   3HG1  VAL  64          HG13      VAL  64   6.013  -3.527  -7.455
  516   1HG2  VAL  64          HG22      VAL  64   6.070  -7.480  -5.873
  517   2HG2  VAL  64          HG21      VAL  64   5.527  -7.164  -7.520
  518   3HG2  VAL  64          HG23      VAL  64   7.239  -7.031  -7.115
  519    H    ILE  65           HN       ILE  65   5.401  -3.903  -3.591
  520    HA   ILE  65           HA       ILE  65   5.820  -1.158  -4.602
  521    HB   ILE  65           HB       ILE  65   4.100  -2.090  -2.286
  522   1HG1  ILE  65          HG12      ILE  65   2.330  -1.510  -4.282
  523   2HG1  ILE  65          HG11      ILE  65   3.675  -2.099  -5.258
  524   1HG2  ILE  65          HG23      ILE  65   4.118   0.460  -3.916
  525   2HG2  ILE  65          HG22      ILE  65   2.951   0.066  -2.657
  526   3HG2  ILE  65          HG21      ILE  65   4.649   0.301  -2.243
  527   1HD1  ILE  65          HD12      ILE  65   2.432  -3.598  -2.928
  528   2HD1  ILE  65          HD11      ILE  65   2.085  -3.911  -4.627
  529   3HD1  ILE  65          HD13      ILE  65   3.702  -4.201  -3.990
  530    H    TRP  66           HN       TRP  66   6.809  -3.152  -1.886
  531    HA   TRP  66           HA       TRP  66   8.421  -0.841  -0.850
  532   1HB   TRP  66           HB2      TRP  66   6.767  -2.820   0.726
  533   2HB   TRP  66           HB1      TRP  66   8.031  -1.831   1.455
  534    HD1  TRP  66           HD1      TRP  66   7.731   0.887   1.181
  535    HE1  TRP  66           HE1      TRP  66   5.581   2.305   1.135
  536    HE3  TRP  66           HE3      TRP  66   4.297  -2.763   0.144
  537    HZ2  TRP  66           HZ2      TRP  66   2.764   1.947   0.711
  538    HZ3  TRP  66           HZ3      TRP  66   1.885  -2.199  -0.075
  539    HH2  TRP  66           HH2      TRP  66   1.115   0.150   0.208
  540    HA   PRO  67           HA       PRO  67  11.042  -4.597  -1.611
  541   1HB   PRO  67           HB2      PRO  67  12.970  -3.214  -3.107
  542   2HB   PRO  67           HB1      PRO  67  11.607  -4.115  -3.795
  543   1HG   PRO  67           HG2      PRO  67  11.982  -1.183  -3.598
  544   2HG   PRO  67           HG1      PRO  67  10.893  -2.091  -4.651
  545   1HD   PRO  67           HD2      PRO  67  10.179  -0.668  -2.290
  546   2HD   PRO  67           HD1      PRO  67   9.127  -1.747  -3.225
  547    H    SER  68           HN       SER  68  11.655  -1.334  -0.472
  548    HA   SER  68           HA       SER  68  14.315  -1.975   0.599
  549   1HB   SER  68           HB2      SER  68  13.734   0.296  -0.214
  550   2HB   SER  68           HB1      SER  68  12.547   0.440   1.083
  551    HG   SER  68           HG       SER  68  14.123   0.617   2.518
  552    H    ARG  69           HN       ARG  69  11.020  -1.987   1.823
  553    HA   ARG  69           HA       ARG  69  12.014  -2.262   4.624
  554   1HB   ARG  69           HB2      ARG  69   9.251  -1.913   3.436
  555   2HB   ARG  69           HB1      ARG  69   9.510  -2.283   5.141
  556   1HG   ARG  69           HG2      ARG  69  10.748   0.078   3.695
  557   2HG   ARG  69           HG1      ARG  69   9.282   0.180   4.667
  558   1HD   ARG  69           HD2      ARG  69  10.938  -1.026   6.464
  559   2HD   ARG  69           HD1      ARG  69  12.121  -0.097   5.548
  560    HE   ARG  69           HE       ARG  69  10.407   0.963   7.522
  561   1HH1  ARG  69          HH21      ARG  69  11.252   1.593   4.230
  562   2HH1  ARG  69          HH22      ARG  69  10.694   3.227   4.274
  563   1HH2  ARG  69          HH11      ARG  69   9.705   3.090   7.587
  564   2HH2  ARG  69          HH12      ARG  69   9.830   4.077   6.169
  565    H    TYR  70           HN       TYR  70  11.310  -4.212   1.985
  566    HA   TYR  70           HA       TYR  70  10.501  -6.549   3.696
  567   1HB   TYR  70           HB2      TYR  70  10.262  -5.936   0.741
  568   2HB   TYR  70           HB1      TYR  70  10.173  -7.598   1.326
  569    HD1  TYR  70           HD2      TYR  70   8.813  -4.235   2.396
  570    HD2  TYR  70           HD1      TYR  70   8.011  -8.394   1.624
  571    HE1  TYR  70           HE2      TYR  70   6.429  -3.887   3.002
  572    HE2  TYR  70           HE1      TYR  70   5.626  -8.049   2.238
  573    HH   TYR  70           HH       TYR  70   4.429  -4.825   3.216
  574    H    GLN  71           HN       GLN  71  12.000  -8.177   3.993
  575    HA   GLN  71           HA       GLN  71  14.175  -8.614   2.089
  576   1HB   GLN  71           HB2      GLN  71  14.935  -6.674   3.561
  577   2HB   GLN  71           HB1      GLN  71  14.934  -7.814   4.907
  578   1HG   GLN  71           HG2      GLN  71  17.162  -7.862   4.108
  579   2HG   GLN  71           HG1      GLN  71  16.421  -9.302   3.409
  580   1HE2  GLN  71          HE21      GLN  71  17.978  -6.295   2.659
  581   2HE2  GLN  71          HE22      GLN  71  17.791  -6.374   0.974
  582    H    ALA  72           HN       ALA  72  13.091 -10.715   2.116
  583    HA   ALA  72           HA       ALA  72  14.220 -12.496   4.137
  584   1HB   ALA  72           HB3      ALA  72  12.185 -11.644   5.282
  585   2HB   ALA  72           HB2      ALA  72  11.207 -12.227   3.936
  586   3HB   ALA  72           HB1      ALA  72  12.085 -13.373   4.949
  587    H    GLY  73           HN       GLY  73  15.096 -13.117   1.944
  588   1HA   GLY  73           HA2      GLY  73  15.170 -14.838   0.331
  589   2HA   GLY  73           HA1      GLY  73  13.598 -15.389   0.911
  590    H    GLU  74           HN       GLU  74  12.953 -15.637  -1.339
  591    HA   GLU  74           HA       GLU  74  12.668 -13.140  -2.924
  592   1HB   GLU  74           HB2      GLU  74  11.769 -14.746  -4.670
  593   2HB   GLU  74           HB1      GLU  74  13.446 -15.024  -4.201
  594   1HG   GLU  74           HG2      GLU  74  11.197 -16.476  -2.799
  595   2HG   GLU  74           HG1      GLU  74  11.836 -17.073  -4.329
   
  No H/Q in entry =         595
  Start of MODEL          13
 Raw file had  612 H/Q atoms
  Start of MODEL   13
    1   1H    CYS   1           HT2      CYS   1  14.506  13.634  12.413
    2   2H    CYS   1           HT1      CYS   1  15.867  14.616  12.159
    3   3H    CYS   1           HT3      CYS   1  14.481  14.827  11.203
    4    HA   CYS   1           HA       CYS   1  16.144  13.660   9.936
    5   1HB   CYS   1           HB2      CYS   1  17.290  12.721  11.973
    6   2HB   CYS   1           HB1      CYS   1  15.975  11.554  12.112
    7    HG   CYS   1           HG       CYS   1  18.200  11.505   9.984
    8    H    SER   2           HN       SER   2  13.712  11.885  11.875
    9    HA   SER   2           HA       SER   2  11.930  10.527  11.173
   10   1HB   SER   2           HB2      SER   2  11.968  12.613   8.977
   11   2HB   SER   2           HB1      SER   2  10.666  11.451   9.212
   12    HG   SER   2           HG       SER   2   9.932  12.786  10.645
   13    H    ASN   3           HN       ASN   3  11.041   9.523   8.877
   14    HA   ASN   3           HA       ASN   3  13.293   8.637   7.178
   15   1HB   ASN   3           HB2      ASN   3  13.227   7.067   9.151
   16   2HB   ASN   3           HB1      ASN   3  11.583   6.632   8.681
   17   1HD2  ASN   3          HD22      ASN   3  14.505   5.664   5.945
   18   2HD2  ASN   3          HD21      ASN   3  14.567   7.173   6.721
   19    H    GLU   4           HN       GLU   4  10.907  10.212   6.726
   20    HA   GLU   4           HA       GLU   4   8.883   8.540   5.481
   21   1HB   GLU   4           HB2      GLU   4   7.917  10.647   4.718
   22   2HB   GLU   4           HB1      GLU   4   8.421  10.817   6.401
   23   1HG   GLU   4           HG2      GLU   4  10.628  11.743   5.500
   24   2HG   GLU   4           HG1      GLU   4   9.828  11.847   3.930
   25    H    LYS   5           HN       LYS   5   8.406   8.551   3.170
   26    HA   LYS   5           HA       LYS   5   9.051   8.142   0.958
   27   1HB   LYS   5           HB2      LYS   5  10.690  10.599   1.616
   28   2HB   LYS   5           HB1      LYS   5  10.586   9.912  -0.004
   29   1HG   LYS   5           HG2      LYS   5   8.113  10.142   0.079
   30   2HG   LYS   5           HG1      LYS   5   8.256  10.901   1.666
   31   1HD   LYS   5           HD2      LYS   5   9.527  12.745   0.738
   32   2HD   LYS   5           HD1      LYS   5   9.601  11.955  -0.838
   33   1HE   LYS   5           HE2      LYS   5   6.970  12.643   0.481
   34   2HE   LYS   5           HE1      LYS   5   7.819  13.783  -0.560
   35   1HZ   LYS   5           HZ2      LYS   5   7.901  11.702  -2.130
   36   2HZ   LYS   5           HZ1      LYS   5   6.525  11.251  -1.242
   37   3HZ   LYS   5           HZ3      LYS   5   6.541  12.719  -2.091
   38    H    ALA   6           HN       ALA   6  10.389   6.473   2.788
   39    HA   ALA   6           HA       ALA   6  13.247   6.508   2.358
   40   1HB   ALA   6           HB3      ALA   6  11.390   4.256   3.193
   41   2HB   ALA   6           HB2      ALA   6  13.151   4.164   3.230
   42   3HB   ALA   6           HB1      ALA   6  12.307   5.311   4.270
   43    H    ARG   7           HN       ARG   7  12.484   3.387   1.621
   44    HA   ARG   7           HA       ARG   7  13.039   3.845  -1.268
   45   1HB   ARG   7           HB2      ARG   7  12.795   1.116   0.002
   46   2HB   ARG   7           HB1      ARG   7  13.788   1.617  -1.358
   47   1HG   ARG   7           HG2      ARG   7  14.241   2.441   1.527
   48   2HG   ARG   7           HG1      ARG   7  15.142   1.193   0.676
   49   1HD   ARG   7           HD2      ARG   7  15.377   3.331  -1.067
   50   2HD   ARG   7           HD1      ARG   7  15.408   4.139   0.496
   51    HE   ARG   7           HE       ARG   7  17.580   2.752  -0.643
   52   1HH1  ARG   7          HH21      ARG   7  15.765   2.698   2.296
   53   2HH1  ARG   7          HH22      ARG   7  17.033   1.958   3.210
   54   1HH2  ARG   7          HH11      ARG   7  19.232   1.800   0.540
   55   2HH2  ARG   7          HH12      ARG   7  18.994   1.456   2.220
   56    H    ASP   8           HN       ASP   8  10.468   3.583   0.761
   57    HA   ASP   8           HA       ASP   8   8.711   1.804  -0.664
   58   1HB   ASP   8           HB2      ASP   8   7.932   4.109   1.130
   59   2HB   ASP   8           HB1      ASP   8   6.985   2.661   0.771
   60    H    TRP   9           HN       TRP   9   6.756   2.444  -1.750
   61    HA   TRP   9           HA       TRP   9   7.149   4.383  -3.864
   62   1HB   TRP   9           HB2      TRP   9   4.783   2.753  -2.871
   63   2HB   TRP   9           HB1      TRP   9   4.653   3.860  -4.230
   64    HD1  TRP   9           HD1      TRP   9   7.552   1.414  -3.425
   65    HE1  TRP   9           HE1      TRP   9   7.877  -0.138  -5.451
   66    HE3  TRP   9           HE3      TRP   9   3.641   2.958  -6.339
   67    HZ2  TRP   9           HZ2      TRP   9   6.610  -0.703  -7.965
   68    HZ3  TRP   9           HZ3      TRP   9   3.207   1.877  -8.536
   69    HH2  TRP   9           HH2      TRP   9   4.687   0.052  -9.350
   70    H    HIS  10           HN       HIS  10   6.986   6.584  -3.427
   71    HA   HIS  10           HA       HIS  10   6.204   7.899  -1.161
   72   1HB   HIS  10           HB2      HIS  10   5.410   8.842  -3.934
   73   2HB   HIS  10           HB1      HIS  10   5.668   9.851  -2.508
   74    HD1  HIS  10           HD1      HIS  10   8.264   8.879  -1.392
   75    HD2  HIS  10           HD2      HIS  10   7.654   9.246  -5.501
   76    HE1  HIS  10           HE1      HIS  10  10.562   9.057  -2.445
   77    H    ARG  11           HN       ARG  11   4.254   8.686  -0.245
   78    HA   ARG  11           HA       ARG  11   2.028   7.058  -0.153
   79   1HB   ARG  11           HB2      ARG  11   2.479   9.093   1.285
   80   2HB   ARG  11           HB1      ARG  11   1.863  10.078  -0.035
   81   1HG   ARG  11           HG2      ARG  11  -0.216   9.794   0.866
   82   2HG   ARG  11           HG1      ARG  11  -0.140   8.133   0.290
   83   1HD   ARG  11           HD2      ARG  11  -0.631   7.908   2.581
   84   2HD   ARG  11           HD1      ARG  11   1.112   7.645   2.516
   85    HE   ARG  11           HE       ARG  11   0.885  10.366   2.957
   86   1HH1  ARG  11          HH21      ARG  11  -0.360   7.494   4.403
   87   2HH1  ARG  11          HH22      ARG  11  -0.441   8.172   5.997
   88   1HH2  ARG  11          HH11      ARG  11   0.784  11.268   5.030
   89   2HH2  ARG  11          HH12      ARG  11   0.207  10.307   6.351
   90    H    ALA  12           HN       ALA  12   2.597   9.687  -2.474
   91    HA   ALA  12           HA       ALA  12   0.017   9.258  -3.792
   92   1HB   ALA  12           HB2      ALA  12   2.436  10.898  -4.611
   93   2HB   ALA  12           HB1      ALA  12   0.879  10.917  -5.436
   94   3HB   ALA  12           HB3      ALA  12   1.003  11.498  -3.777
   95    H    ASP  13           HN       ASP  13   3.262   7.997  -4.126
   96    HA   ASP  13           HA       ASP  13   3.005   7.133  -6.879
   97   1HB   ASP  13           HB2      ASP  13   4.748   6.278  -4.573
   98   2HB   ASP  13           HB1      ASP  13   4.783   5.398  -6.100
   99    H    VAL  14           HN       VAL  14   1.957   5.976  -3.788
  100    HA   VAL  14           HA       VAL  14   1.195   3.327  -4.754
  101    HB   VAL  14           HB       VAL  14   0.561   4.870  -2.221
  102   1HG1  VAL  14          HG13      VAL  14  -0.176   2.051  -3.049
  103   2HG1  VAL  14          HG12      VAL  14  -0.234   2.623  -1.384
  104   3HG1  VAL  14          HG11      VAL  14  -1.284   3.347  -2.600
  105   1HG2  VAL  14          HG22      VAL  14   2.363   2.507  -2.807
  106   2HG2  VAL  14          HG21      VAL  14   2.890   4.148  -2.439
  107   3HG2  VAL  14          HG23      VAL  14   2.075   3.188  -1.206
  108    H    ILE  15           HN       ILE  15  -0.712   6.178  -3.608
  109    HA   ILE  15           HA       ILE  15  -3.198   5.198  -4.628
  110    HB   ILE  15           HB       ILE  15  -2.624   8.168  -4.594
  111   1HG1  ILE  15          HG12      ILE  15  -1.791   7.919  -2.451
  112   2HG1  ILE  15          HG11      ILE  15  -3.505   7.934  -2.072
  113   1HG2  ILE  15          HG22      ILE  15  -4.815   7.253  -5.329
  114   2HG2  ILE  15          HG21      ILE  15  -5.032   6.549  -3.726
  115   3HG2  ILE  15          HG23      ILE  15  -4.946   8.301  -3.916
  116   1HD1  ILE  15          HD12      ILE  15  -3.239   5.300  -2.395
  117   2HD1  ILE  15          HD11      ILE  15  -1.564   5.667  -1.998
  118   3HD1  ILE  15          HD13      ILE  15  -2.846   6.078  -0.875
  119    H    ALA  16           HN       ALA  16  -0.993   7.637  -6.058
  120    HA   ALA  16           HA       ALA  16  -2.381   7.988  -8.477
  121   1HB   ALA  16           HB3      ALA  16  -0.328   9.257  -7.626
  122   2HB   ALA  16           HB2      ALA  16   0.634   7.938  -8.292
  123   3HB   ALA  16           HB1      ALA  16  -0.374   8.920  -9.356
  124    H    GLY  17           HN       GLY  17   0.466   5.883  -8.029
  125   1HA   GLY  17           HA2      GLY  17   0.449   4.577 -10.477
  126   2HA   GLY  17           HA1      GLY  17   0.940   3.796  -8.974
  127    H    LEU  18           HN       LEU  18  -1.289   3.452  -7.554
  128    HA   LEU  18           HA       LEU  18  -2.653   1.314  -8.888
  129   1HB   LEU  18           HB2      LEU  18  -3.186   2.861  -6.346
  130   2HB   LEU  18           HB1      LEU  18  -4.215   1.525  -6.855
  131    HG   LEU  18           HG       LEU  18  -1.226   1.142  -6.684
  132   1HD1  LEU  18          HD11      LEU  18  -1.998   2.067  -4.503
  133   2HD1  LEU  18          HD13      LEU  18  -3.195   0.778  -4.405
  134   3HD1  LEU  18          HD12      LEU  18  -1.473   0.394  -4.373
  135   1HD2  LEU  18          HD21      LEU  18  -3.635  -0.686  -6.366
  136   2HD2  LEU  18          HD23      LEU  18  -2.539  -0.647  -7.745
  137   3HD2  LEU  18          HD22      LEU  18  -1.961  -1.199  -6.180
  138    H    LYS  19           HN       LYS  19  -4.017   4.405  -7.717
  139    HA   LYS  19           HA       LYS  19  -6.510   4.230  -8.984
  140   1HB   LYS  19           HB2      LYS  19  -5.722   6.015  -7.353
  141   2HB   LYS  19           HB1      LYS  19  -4.918   6.792  -8.716
  142   1HG   LYS  19           HG2      LYS  19  -7.050   7.025  -9.893
  143   2HG   LYS  19           HG1      LYS  19  -7.879   6.142  -8.613
  144   1HD   LYS  19           HD2      LYS  19  -8.328   8.342  -7.980
  145   2HD   LYS  19           HD1      LYS  19  -6.864   8.031  -7.053
  146   1HE   LYS  19           HE2      LYS  19  -6.513  10.142  -8.102
  147   2HE   LYS  19           HE1      LYS  19  -5.578   8.994  -9.057
  148   1HZ   LYS  19           HZ2      LYS  19  -8.339   9.352  -9.868
  149   2HZ   LYS  19           HZ1      LYS  19  -7.330  10.699 -10.104
  150   3HZ   LYS  19           HZ3      LYS  19  -6.937   9.210 -10.815
  151    H    LYS  20           HN       LYS  20  -3.451   4.447 -10.451
  152    HA   LYS  20           HA       LYS  20  -4.040   5.970 -12.769
  153   1HB   LYS  20           HB2      LYS  20  -1.751   5.047 -12.095
  154   2HB   LYS  20           HB1      LYS  20  -2.289   3.497 -12.742
  155   1HG   LYS  20           HG2      LYS  20  -2.520   4.388 -14.948
  156   2HG   LYS  20           HG1      LYS  20  -2.358   6.046 -14.372
  157   1HD   LYS  20           HD2      LYS  20  -0.272   5.141 -15.451
  158   2HD   LYS  20           HD1      LYS  20  -0.036   5.689 -13.791
  159   1HE   LYS  20           HE2      LYS  20   0.108   3.501 -12.953
  160   2HE   LYS  20           HE1      LYS  20  -0.715   2.805 -14.351
  161   1HZ   LYS  20           HZ2      LYS  20   1.215   3.436 -15.707
  162   2HZ   LYS  20           HZ1      LYS  20   2.012   3.979 -14.309
  163   3HZ   LYS  20           HZ3      LYS  20   1.621   2.337 -14.478
  164    H    ARG  21           HN       ARG  21  -4.918   2.772 -11.797
  165    HA   ARG  21           HA       ARG  21  -6.139   2.204 -14.450
  166   1HB   ARG  21           HB2      ARG  21  -5.835   0.547 -11.916
  167   2HB   ARG  21           HB1      ARG  21  -6.668  -0.005 -13.367
  168   1HG   ARG  21           HG2      ARG  21  -4.671   0.024 -14.653
  169   2HG   ARG  21           HG1      ARG  21  -3.817   0.982 -13.453
  170   1HD   ARG  21           HD2      ARG  21  -3.499  -0.823 -12.025
  171   2HD   ARG  21           HD1      ARG  21  -4.908  -1.698 -12.614
  172    HE   ARG  21           HE       ARG  21  -2.182  -1.965 -13.525
  173   1HH1  ARG  21          HH21      ARG  21  -5.409  -1.779 -14.746
  174   2HH1  ARG  21          HH22      ARG  21  -5.008  -2.521 -16.258
  175   1HH2  ARG  21          HH11      ARG  21  -1.659  -2.935 -15.476
  176   2HH2  ARG  21          HH12      ARG  21  -2.890  -3.173 -16.671
  177    H    LYS  22           HN       LYS  22  -7.501   1.087 -11.448
  178    HA   LYS  22           HA       LYS  22  -9.468   3.252 -11.318
  179   1HB   LYS  22           HB2      LYS  22 -10.296   0.426 -12.080
  180   2HB   LYS  22           HB1      LYS  22 -11.419   1.670 -11.537
  181   1HG   LYS  22           HG2      LYS  22 -10.508   3.125 -13.432
  182   2HG   LYS  22           HG1      LYS  22  -9.737   1.661 -14.047
  183   1HD   LYS  22           HD2      LYS  22 -11.917   0.536 -14.162
  184   2HD   LYS  22           HD1      LYS  22 -12.704   1.971 -13.506
  185   1HE   LYS  22           HE2      LYS  22 -12.775   1.700 -16.056
  186   2HE   LYS  22           HE1      LYS  22 -12.215   3.257 -15.448
  187   1HZ   LYS  22           HZ1      LYS  22  -9.925   2.433 -15.673
  188   2HZ   LYS  22           HZ3      LYS  22 -10.516   1.002 -16.364
  189   3HZ   LYS  22           HZ2      LYS  22 -10.744   2.484 -17.161
  190    H    LEU  23           HN       LEU  23  -7.831   2.842  -9.285
  191    HA   LEU  23           HA       LEU  23  -9.456   1.295  -7.285
  192   1HB   LEU  23           HB2      LEU  23  -6.440   1.402  -7.349
  193   2HB   LEU  23           HB1      LEU  23  -7.429   0.488  -6.221
  194    HG   LEU  23           HG       LEU  23  -7.552  -0.002  -9.205
  195   1HD1  LEU  23          HD12      LEU  23  -5.746  -1.297  -7.141
  196   2HD1  LEU  23          HD11      LEU  23  -5.981  -1.892  -8.786
  197   3HD1  LEU  23          HD13      LEU  23  -5.226  -0.320  -8.515
  198   1HD2  LEU  23          HD23      LEU  23  -8.256  -1.636  -6.744
  199   2HD2  LEU  23          HD22      LEU  23  -9.395  -0.943  -7.900
  200   3HD2  LEU  23          HD21      LEU  23  -8.319  -2.249  -8.396
  201    H    SER  24           HN       SER  24  -9.389   2.106  -5.166
  202    HA   SER  24           HA       SER  24  -7.884   4.582  -4.595
  203   1HB   SER  24           HB2      SER  24 -10.113   5.604  -3.731
  204   2HB   SER  24           HB1      SER  24  -9.808   5.649  -5.467
  205    HG   SER  24           HG       SER  24 -11.930   4.833  -4.728
  206    H    LEU  25           HN       LEU  25  -7.090   4.284  -2.529
  207    HA   LEU  25           HA       LEU  25  -7.627   2.068  -0.914
  208   1HB   LEU  25           HB2      LEU  25  -6.732   4.859  -0.181
  209   2HB   LEU  25           HB1      LEU  25  -6.935   3.607   1.052
  210    HG   LEU  25           HG       LEU  25  -5.330   2.170  -0.080
  211   1HD1  LEU  25          HD13      LEU  25  -5.347   4.351  -2.169
  212   2HD1  LEU  25          HD12      LEU  25  -4.062   3.146  -2.066
  213   3HD1  LEU  25          HD11      LEU  25  -5.716   2.642  -2.385
  214   1HD2  LEU  25          HD21      LEU  25  -4.478   5.027   0.410
  215   2HD2  LEU  25          HD23      LEU  25  -4.286   3.634   1.470
  216   3HD2  LEU  25          HD22      LEU  25  -3.304   3.772   0.013
  217    H    SER  26           HN       SER  26  -9.620   4.835  -1.435
  218    HA   SER  26           HA       SER  26 -11.200   4.557   0.990
  219   1HB   SER  26           HB2      SER  26 -12.704   6.165  -0.059
  220   2HB   SER  26           HB1      SER  26 -11.041   6.685  -0.317
  221    HG   SER  26           HG       SER  26 -11.754   6.744  -2.324
  222    H    ALA  27           HN       ALA  27 -11.458   3.428  -2.356
  223    HA   ALA  27           HA       ALA  27 -14.061   2.177  -1.913
  224   1HB   ALA  27           HB3      ALA  27 -13.154   3.027  -4.150
  225   2HB   ALA  27           HB2      ALA  27 -12.128   1.593  -4.165
  226   3HB   ALA  27           HB1      ALA  27 -13.883   1.422  -4.173
  227    H    LEU  28           HN       LEU  28 -10.689   1.060  -2.164
  228    HA   LEU  28           HA       LEU  28 -11.240  -1.731  -1.913
  229   1HB   LEU  28           HB2      LEU  28  -8.843   0.015  -1.353
  230   2HB   LEU  28           HB1      LEU  28  -8.810  -1.693  -0.914
  231    HG   LEU  28           HG       LEU  28  -9.231  -2.356  -3.193
  232   1HD1  LEU  28          HD12      LEU  28  -9.677   0.596  -3.618
  233   2HD1  LEU  28          HD11      LEU  28  -9.295  -0.477  -4.964
  234   3HD1  LEU  28          HD13      LEU  28 -10.755  -0.741  -4.010
  235   1HD2  LEU  28          HD21      LEU  28  -6.892  -1.807  -2.595
  236   2HD2  LEU  28          HD23      LEU  28  -7.214  -1.453  -4.292
  237   3HD2  LEU  28          HD22      LEU  28  -7.157  -0.143  -3.113
  238    H    SER  29           HN       SER  29 -11.036   0.852   0.425
  239    HA   SER  29           HA       SER  29 -10.761  -0.798   2.768
  240   1HB   SER  29           HB2      SER  29 -11.749   1.256   3.928
  241   2HB   SER  29           HB1      SER  29 -10.257   1.508   3.026
  242    HG   SER  29           HG       SER  29 -11.826   3.095   2.532
  243    H    ARG  30           HN       ARG  30 -13.670   0.871   1.465
  244    HA   ARG  30           HA       ARG  30 -15.444  -0.529   3.251
  245   1HB   ARG  30           HB2      ARG  30 -17.250   0.384   1.781
  246   2HB   ARG  30           HB1      ARG  30 -16.114   1.613   2.337
  247   1HG   ARG  30           HG2      ARG  30 -14.937   1.574   0.220
  248   2HG   ARG  30           HG1      ARG  30 -15.892   0.204  -0.339
  249   1HD   ARG  30           HD2      ARG  30 -17.951   1.679  -0.034
  250   2HD   ARG  30           HD1      ARG  30 -16.836   3.030   0.171
  251    HE   ARG  30           HE       ARG  30 -16.007   1.878  -2.196
  252   1HH1  ARG  30          HH21      ARG  30 -19.003   2.964  -0.882
  253   2HH1  ARG  30          HH22      ARG  30 -19.660   3.428  -2.416
  254   1HH2  ARG  30          HH11      ARG  30 -16.846   2.486  -4.208
  255   2HH2  ARG  30          HH12      ARG  30 -18.441   3.157  -4.297
  256    H    GLN  31           HN       GLN  31 -14.047  -1.422   0.201
  257    HA   GLN  31           HA       GLN  31 -16.106  -3.210  -0.676
  258   1HB   GLN  31           HB2      GLN  31 -13.190  -2.849  -1.263
  259   2HB   GLN  31           HB1      GLN  31 -13.941  -4.355  -1.776
  260   1HG   GLN  31           HG2      GLN  31 -15.688  -3.062  -2.976
  261   2HG   GLN  31           HG1      GLN  31 -14.883  -1.564  -2.505
  262   1HE2  GLN  31          HE22      GLN  31 -12.328  -1.854  -4.948
  263   2HE2  GLN  31          HE21      GLN  31 -12.889  -1.002  -3.593
  264    H    PHE  32           HN       PHE  32 -13.481  -3.603   1.657
  265    HA   PHE  32           HA       PHE  32 -14.254  -6.478   2.013
  266   1HB   PHE  32           HB2      PHE  32 -11.815  -4.880   2.838
  267   2HB   PHE  32           HB1      PHE  32 -12.154  -6.490   3.481
  268    HD1  PHE  32           HD1      PHE  32 -11.369  -4.557   0.414
  269    HD2  PHE  32           HD2      PHE  32 -11.993  -8.476   2.095
  270    HE1  PHE  32           HE1      PHE  32 -10.471  -5.593  -1.663
  271    HE2  PHE  32           HE2      PHE  32 -11.091  -9.509   0.020
  272    HZ   PHE  32           HZ       PHE  32 -10.332  -8.069  -1.859
  273    H    GLY  33           HN       GLY  33 -14.455  -3.344   3.512
  274   1HA   GLY  33           HA2      GLY  33 -16.285  -3.152   5.219
  275   2HA   GLY  33           HA1      GLY  33 -15.639  -4.611   5.960
  276    H    TYR  34           HN       TYR  34 -12.891  -4.017   5.917
  277    HA   TYR  34           HA       TYR  34 -12.508  -2.616   8.281
  278   1HB   TYR  34           HB2      TYR  34 -10.527  -2.467   6.002
  279   2HB   TYR  34           HB1      TYR  34 -10.193  -2.454   7.734
  280    HD1  TYR  34           HD2      TYR  34 -11.574  -4.601   8.948
  281    HD2  TYR  34           HD1      TYR  34  -9.881  -4.477   4.984
  282    HE1  TYR  34           HE2      TYR  34 -11.439  -7.079   8.927
  283    HE2  TYR  34           HE1      TYR  34  -9.746  -6.954   4.973
  284    HH   TYR  34           HH       TYR  34 -10.008  -8.834   7.710
  285    H    ALA  35           HN       ALA  35 -12.744  -0.552   8.876
  286    HA   ALA  35           HA       ALA  35 -13.810   1.465   7.281
  287   1HB   ALA  35           HB2      ALA  35 -12.556   1.281   9.932
  288   2HB   ALA  35           HB1      ALA  35 -12.355   2.874   9.211
  289   3HB   ALA  35           HB3      ALA  35 -13.972   2.206   9.441
  290    HA   PRO  36           HA       PRO  36 -10.610   3.110   4.741
  291   1HB   PRO  36           HB2      PRO  36 -10.863   5.891   5.433
  292   2HB   PRO  36           HB1      PRO  36 -11.588   5.059   4.050
  293   1HG   PRO  36           HG2      PRO  36 -12.896   5.970   6.510
  294   2HG   PRO  36           HG1      PRO  36 -13.641   5.360   5.026
  295   1HD   PRO  36           HD2      PRO  36 -13.470   3.982   7.511
  296   2HD   PRO  36           HD1      PRO  36 -13.969   3.294   5.951
  297    H    THR  37           HN       THR  37 -10.636   3.794   8.150
  298    HA   THR  37           HA       THR  37  -8.037   5.046   8.291
  299    HB   THR  37           HB       THR  37  -8.166   4.511  10.709
  300    HG1  THR  37           HG1      THR  37  -9.556   3.083  11.433
  301   1HG2  THR  37          HG21      THR  37  -9.484   6.414   9.590
  302   2HG2  THR  37          HG23      THR  37 -10.899   5.376   9.764
  303   3HG2  THR  37          HG22      THR  37 -10.018   5.912  11.194
  304    H    THR  38           HN       THR  38  -9.178   1.700   8.451
  305    HA   THR  38           HA       THR  38  -6.784   0.448   9.285
  306    HB   THR  38           HB       THR  38  -8.985  -0.474   7.420
  307    HG1  THR  38           HG1      THR  38  -9.544  -1.665   9.271
  308   1HG2  THR  38          HG21      THR  38  -6.449  -1.844   8.248
  309   2HG2  THR  38          HG23      THR  38  -7.928  -2.800   8.166
  310   3HG2  THR  38          HG22      THR  38  -7.342  -1.960   6.731
  311    H    LEU  39           HN       LEU  39  -7.903   0.759   5.893
  312    HA   LEU  39           HA       LEU  39  -5.540  -0.058   4.648
  313   1HB   LEU  39           HB2      LEU  39  -7.923   1.483   3.905
  314   2HB   LEU  39           HB1      LEU  39  -6.516   2.033   3.013
  315    HG   LEU  39           HG       LEU  39  -7.660   0.311   1.753
  316   1HD1  LEU  39          HD12      LEU  39  -4.987   0.346   2.159
  317   2HD1  LEU  39          HD11      LEU  39  -5.319  -1.291   2.725
  318   3HD1  LEU  39          HD13      LEU  39  -5.766  -0.814   1.086
  319   1HD2  LEU  39          HD22      LEU  39  -8.684  -0.759   3.816
  320   2HD2  LEU  39          HD21      LEU  39  -8.102  -1.892   2.598
  321   3HD2  LEU  39          HD23      LEU  39  -7.159  -1.601   4.058
  322    H    ALA  40           HN       ALA  40  -6.408   3.295   5.536
  323    HA   ALA  40           HA       ALA  40  -4.019   4.529   4.695
  324   1HB   ALA  40           HB2      ALA  40  -5.823   5.187   7.040
  325   2HB   ALA  40           HB1      ALA  40  -4.539   6.250   6.459
  326   3HB   ALA  40           HB3      ALA  40  -5.907   5.864   5.414
  327    H    ASN  41           HN       ASN  41  -4.770   3.542   8.046
  328    HA   ASN  41           HA       ASN  41  -2.194   3.940   9.118
  329   1HB   ASN  41           HB2      ASN  41  -4.099   1.750   9.978
  330   2HB   ASN  41           HB1      ASN  41  -2.913   2.599  10.974
  331   1HD2  ASN  41          HD22      ASN  41  -6.244   4.185  11.574
  332   2HD2  ASN  41          HD21      ASN  41  -5.601   2.630  11.798
  333    H    ALA  42           HN       ALA  42  -3.185   1.502   6.896
  334    HA   ALA  42           HA       ALA  42  -1.299  -0.529   7.742
  335   1HB   ALA  42           HB3      ALA  42  -3.349  -0.855   6.229
  336   2HB   ALA  42           HB2      ALA  42  -2.357  -0.189   4.931
  337   3HB   ALA  42           HB1      ALA  42  -1.869  -1.679   5.738
  338    H    LEU  43           HN       LEU  43  -0.816   2.501   6.462
  339    HA   LEU  43           HA       LEU  43   1.481   1.802   4.758
  340   1HB   LEU  43           HB2      LEU  43   0.218   4.408   5.625
  341   2HB   LEU  43           HB1      LEU  43   1.732   4.367   4.719
  342    HG   LEU  43           HG       LEU  43  -0.613   2.791   3.667
  343   1HD1  LEU  43          HD12      LEU  43  -0.282   5.792   3.526
  344   2HD1  LEU  43          HD11      LEU  43  -1.228   4.888   2.343
  345   3HD1  LEU  43          HD13      LEU  43  -1.699   4.879   4.043
  346   1HD2  LEU  43          HD22      LEU  43   1.789   2.839   2.692
  347   2HD2  LEU  43          HD21      LEU  43   0.458   3.103   1.568
  348   3HD2  LEU  43          HD23      LEU  43   1.401   4.474   2.154
  349    H    GLU  44           HN       GLU  44   0.911   2.458   8.094
  350    HA   GLU  44           HA       GLU  44   3.871   2.720   8.540
  351   1HB   GLU  44           HB2      GLU  44   1.703   4.156  10.095
  352   2HB   GLU  44           HB1      GLU  44   3.441   4.288  10.357
  353   1HG   GLU  44           HG2      GLU  44   3.656   5.131   7.991
  354   2HG   GLU  44           HG1      GLU  44   1.894   5.173   7.909
  355    H    ARG  45           HN       ARG  45   0.743   1.665   9.872
  356    HA   ARG  45           HA       ARG  45   1.904   0.505  12.252
  357   1HB   ARG  45           HB2      ARG  45  -0.738   0.082  10.841
  358   2HB   ARG  45           HB1      ARG  45  -0.321  -0.746  12.341
  359   1HG   ARG  45           HG2      ARG  45  -0.204   2.271  12.055
  360   2HG   ARG  45           HG1      ARG  45  -1.659   1.430  12.578
  361   1HD   ARG  45           HD2      ARG  45  -0.706   1.880  14.643
  362   2HD   ARG  45           HD1      ARG  45   0.049   0.320  14.325
  363    HE   ARG  45           HE       ARG  45   1.829   2.095  13.212
  364   1HH1  ARG  45          HH21      ARG  45   0.201   1.809  16.240
  365   2HH1  ARG  45          HH22      ARG  45   1.492   2.520  17.151
  366   1HH2  ARG  45          HH11      ARG  45   3.524   3.021  14.386
  367   2HH2  ARG  45          HH12      ARG  45   3.371   3.206  16.101
  368    H    HIS  46           HN       HIS  46   2.578  -1.598  12.636
  369    HA   HIS  46           HA       HIS  46   3.560  -3.141  10.423
  370   1HB   HIS  46           HB2      HIS  46   3.078  -3.911  13.323
  371   2HB   HIS  46           HB1      HIS  46   3.946  -4.914  12.159
  372    HD1  HIS  46           HD1      HIS  46   4.157  -1.172  12.931
  373    HD2  HIS  46           HD2      HIS  46   6.624  -4.520  12.658
  374    HE1  HIS  46           HE1      HIS  46   6.521  -0.354  13.322
  375    H    TRP  47           HN       TRP  47   1.929  -3.753   8.994
  376    HA   TRP  47           HA       TRP  47   0.232  -5.977   9.812
  377   1HB   TRP  47           HB2      TRP  47  -1.090  -4.033  10.614
  378   2HB   TRP  47           HB1      TRP  47  -1.067  -3.360   8.986
  379    HD1  TRP  47           HD1      TRP  47  -1.832  -6.934  10.290
  380    HE1  TRP  47           HE1      TRP  47  -4.057  -7.697   9.243
  381    HE3  TRP  47           HE3      TRP  47  -3.053  -2.720   7.660
  382    HZ2  TRP  47           HZ2      TRP  47  -6.100  -6.661   7.515
  383    HZ3  TRP  47           HZ3      TRP  47  -5.146  -2.633   6.324
  384    HH2  TRP  47           HH2      TRP  47  -6.671  -4.598   6.252
  385    HA   PRO  48           HA       PRO  48   1.841  -5.623   5.429
  386   1HB   PRO  48           HB2      PRO  48   2.413  -8.486   5.658
  387   2HB   PRO  48           HB1      PRO  48   3.539  -7.150   5.371
  388   1HG   PRO  48           HG2      PRO  48   3.273  -8.637   7.788
  389   2HG   PRO  48           HG1      PRO  48   4.213  -7.152   7.563
  390   1HD   PRO  48           HD2      PRO  48   1.686  -7.504   8.992
  391   2HD   PRO  48           HD1      PRO  48   2.737  -6.067   8.944
  392    H    LYS  49           HN       LYS  49  -0.621  -7.492   7.031
  393    HA   LYS  49           HA       LYS  49  -1.554  -8.895   4.675
  394   1HB   LYS  49           HB2      LYS  49  -2.257  -9.683   6.854
  395   2HB   LYS  49           HB1      LYS  49  -2.998  -8.131   7.226
  396   1HG   LYS  49           HG2      LYS  49  -4.886  -8.580   5.989
  397   2HG   LYS  49           HG1      LYS  49  -3.973  -9.352   4.695
  398   1HD   LYS  49           HD2      LYS  49  -3.746 -11.388   6.038
  399   2HD   LYS  49           HD1      LYS  49  -4.621 -10.628   7.369
  400   1HE   LYS  49           HE2      LYS  49  -5.729 -11.134   4.589
  401   2HE   LYS  49           HE1      LYS  49  -6.128 -12.060   6.036
  402   1HZ   LYS  49           HZ2      LYS  49  -6.610  -9.572   6.866
  403   2HZ   LYS  49           HZ1      LYS  49  -7.010  -9.421   5.223
  404   3HZ   LYS  49           HZ3      LYS  49  -7.793 -10.581   6.181
  405    H    GLY  50           HN       GLY  50  -1.880  -5.646   5.865
  406   1HA   GLY  50           HA2      GLY  50  -4.212  -4.942   4.264
  407   2HA   GLY  50           HA1      GLY  50  -3.094  -3.800   5.023
  408    H    GLU  51           HN       GLU  51  -0.751  -5.125   3.797
  409    HA   GLU  51           HA       GLU  51  -0.673  -3.601   1.336
  410   1HB   GLU  51           HB2      GLU  51   1.257  -5.781   2.177
  411   2HB   GLU  51           HB1      GLU  51   1.575  -4.415   1.110
  412   1HG   GLU  51           HG2      GLU  51   0.800  -4.062   4.017
  413   2HG   GLU  51           HG1      GLU  51   2.471  -4.194   3.485
  414    H    GLN  52           HN       GLN  52  -1.241  -6.956   2.217
  415    HA   GLN  52           HA       GLN  52  -0.979  -8.125  -0.372
  416   1HB   GLN  52           HB2      GLN  52  -2.662  -8.870   2.035
  417   2HB   GLN  52           HB1      GLN  52  -2.618  -9.850   0.570
  418   1HG   GLN  52           HG2      GLN  52  -0.094  -9.921   0.812
  419   2HG   GLN  52           HG1      GLN  52  -0.299  -9.174   2.396
  420   1HE2  GLN  52          HE22      GLN  52  -1.029 -12.250   3.925
  421   2HE2  GLN  52          HE21      GLN  52  -0.478 -10.652   4.082
  422    H    ILE  53           HN       ILE  53  -3.797  -6.682   1.279
  423    HA   ILE  53           HA       ILE  53  -5.730  -7.194  -0.731
  424    HB   ILE  53           HB       ILE  53  -5.464  -4.757   1.057
  425   1HG1  ILE  53          HG12      ILE  53  -7.156  -7.240   1.479
  426   2HG1  ILE  53          HG11      ILE  53  -5.525  -7.092   2.132
  427   1HG2  ILE  53          HG23      ILE  53  -7.778  -5.889  -0.537
  428   2HG2  ILE  53          HG22      ILE  53  -7.973  -4.682   0.734
  429   3HG2  ILE  53          HG21      ILE  53  -7.037  -4.298  -0.709
  430   1HD1  ILE  53          HD12      ILE  53  -6.429  -4.819   3.127
  431   2HD1  ILE  53          HD11      ILE  53  -8.009  -5.561   2.881
  432   3HD1  ILE  53          HD13      ILE  53  -6.824  -6.336   3.926
  433    H    ILE  54           HN       ILE  54  -3.632  -4.329  -0.309
  434    HA   ILE  54           HA       ILE  54  -4.440  -3.002  -2.706
  435    HB   ILE  54           HB       ILE  54  -1.891  -2.882  -1.077
  436   1HG1  ILE  54          HG12      ILE  54  -4.203  -0.932  -1.306
  437   2HG1  ILE  54          HG11      ILE  54  -4.103  -2.170  -0.052
  438   1HG2  ILE  54          HG23      ILE  54  -2.811  -1.283  -3.462
  439   2HG2  ILE  54          HG22      ILE  54  -1.663  -0.627  -2.298
  440   3HG2  ILE  54          HG21      ILE  54  -1.257  -2.073  -3.215
  441   1HD1  ILE  54          HD13      ILE  54  -1.681  -1.079   0.325
  442   2HD1  ILE  54          HD12      ILE  54  -2.469   0.328  -0.381
  443   3HD1  ILE  54          HD11      ILE  54  -3.111  -0.402   1.080
  444    H    ALA  55           HN       ALA  55  -1.410  -4.830  -2.084
  445    HA   ALA  55           HA       ALA  55  -0.464  -4.792  -4.744
  446   1HB   ALA  55           HB3      ALA  55   0.824  -5.546  -2.713
  447   2HB   ALA  55           HB2      ALA  55  -0.084  -7.056  -2.762
  448   3HB   ALA  55           HB1      ALA  55   0.983  -6.626  -4.099
  449    H    ASN  56           HN       ASN  56  -2.777  -6.964  -3.192
  450    HA   ASN  56           HA       ASN  56  -2.876  -8.983  -5.178
  451   1HB   ASN  56           HB2      ASN  56  -4.075  -9.181  -3.036
  452   2HB   ASN  56           HB1      ASN  56  -5.165  -7.879  -3.517
  453   1HD2  ASN  56          HD22      ASN  56  -7.278 -10.077  -5.259
  454   2HD2  ASN  56          HD21      ASN  56  -7.074  -8.587  -4.474
  455    H    ALA  57           HN       ALA  57  -4.320  -5.768  -5.080
  456    HA   ALA  57           HA       ALA  57  -6.086  -6.066  -7.291
  457   1HB   ALA  57           HB2      ALA  57  -5.879  -4.094  -5.632
  458   2HB   ALA  57           HB1      ALA  57  -4.605  -3.504  -6.701
  459   3HB   ALA  57           HB3      ALA  57  -6.246  -3.707  -7.312
  460    H    LEU  58           HN       LEU  58  -2.631  -5.233  -7.184
  461    HA   LEU  58           HA       LEU  58  -2.542  -4.944 -10.121
  462   1HB   LEU  58           HB2      LEU  58  -0.341  -4.911  -8.034
  463   2HB   LEU  58           HB1      LEU  58  -0.135  -4.518  -9.733
  464    HG   LEU  58           HG       LEU  58  -1.993  -3.040  -7.844
  465   1HD1  LEU  58          HD11      LEU  58   0.759  -2.304  -8.900
  466   2HD1  LEU  58          HD13      LEU  58  -0.280  -1.248  -7.942
  467   3HD1  LEU  58          HD12      LEU  58   0.373  -2.725  -7.232
  468   1HD2  LEU  58          HD22      LEU  58  -1.245  -2.741 -10.757
  469   2HD2  LEU  58          HD21      LEU  58  -2.837  -2.648 -10.003
  470   3HD2  LEU  58          HD23      LEU  58  -1.696  -1.318  -9.821
  471    H    GLU  59           HN       GLU  59  -2.717  -7.496  -8.063
  472    HA   GLU  59           HA       GLU  59  -2.213  -9.766  -8.287
  473   1HB   GLU  59           HB2      GLU  59  -2.590  -8.761 -10.914
  474   2HB   GLU  59           HB1      GLU  59  -1.150  -9.767 -11.007
  475   1HG   GLU  59           HG2      GLU  59  -3.779 -10.656  -9.775
  476   2HG   GLU  59           HG1      GLU  59  -3.271 -11.028 -11.416
  477    H    THR  60           HN       THR  60  -0.151  -7.673  -7.575
  478    HA   THR  60           HA       THR  60   2.329  -9.207  -8.311
  479    HB   THR  60           HB       THR  60   2.168  -6.735  -8.942
  480    HG1  THR  60           HG1      THR  60   4.314  -6.365  -7.996
  481   1HG2  THR  60          HG22      THR  60   1.084  -6.169  -6.666
  482   2HG2  THR  60          HG21      THR  60   2.723  -6.248  -6.019
  483   3HG2  THR  60          HG23      THR  60   2.328  -5.070  -7.272
  484    H    LYS  61           HN       LYS  61   4.019  -8.424  -6.351
  485    HA   LYS  61           HA       LYS  61   2.790  -9.631  -3.921
  486   1HB   LYS  61           HB2      LYS  61   5.740  -9.394  -4.566
  487   2HB   LYS  61           HB1      LYS  61   4.985 -10.443  -3.366
  488   1HG   LYS  61           HG2      LYS  61   5.212 -12.003  -5.060
  489   2HG   LYS  61           HG1      LYS  61   3.659 -11.338  -5.537
  490   1HD   LYS  61           HD2      LYS  61   4.749 -11.120  -7.563
  491   2HD   LYS  61           HD1      LYS  61   5.260  -9.596  -6.849
  492   1HE   LYS  61           HE2      LYS  61   6.838 -12.186  -6.737
  493   2HE   LYS  61           HE1      LYS  61   7.167 -10.843  -7.832
  494   1HZ   LYS  61           HZ1      LYS  61   7.475  -9.415  -5.886
  495   2HZ   LYS  61           HZ3      LYS  61   7.237 -10.750  -4.866
  496   3HZ   LYS  61           HZ2      LYS  61   8.580 -10.705  -5.907
  497    HA   PRO  62           HA       PRO  62   3.170  -5.761  -1.804
  498   1HB   PRO  62           HB2      PRO  62   4.176  -6.833   0.682
  499   2HB   PRO  62           HB1      PRO  62   2.508  -6.390   0.293
  500   1HG   PRO  62           HG2      PRO  62   3.677  -9.073   0.493
  501   2HG   PRO  62           HG1      PRO  62   1.972  -8.619   0.359
  502   1HD   PRO  62           HD2      PRO  62   3.542  -9.811  -1.685
  503   2HD   PRO  62           HD1      PRO  62   1.942  -9.067  -1.886
  504    H    GLU  63           HN       GLU  63   5.881  -8.044  -1.615
  505    HA   GLU  63           HA       GLU  63   7.890  -6.240  -0.732
  506   1HB   GLU  63           HB2      GLU  63   9.471  -7.792  -1.962
  507   2HB   GLU  63           HB1      GLU  63   8.393  -8.588  -0.815
  508   1HG   GLU  63           HG2      GLU  63   6.961  -9.377  -2.546
  509   2HG   GLU  63           HG1      GLU  63   7.700  -8.313  -3.743
  510    H    VAL  64           HN       VAL  64   6.029  -5.964  -3.494
  511    HA   VAL  64           HA       VAL  64   8.194  -4.826  -5.184
  512    HB   VAL  64           HB       VAL  64   5.224  -5.161  -5.703
  513   1HG1  VAL  64          HG12      VAL  64   7.519  -4.140  -7.388
  514   2HG1  VAL  64          HG11      VAL  64   6.029  -4.749  -8.107
  515   3HG1  VAL  64          HG13      VAL  64   5.985  -3.343  -7.045
  516   1HG2  VAL  64          HG21      VAL  64   7.689  -6.736  -6.496
  517   2HG2  VAL  64          HG23      VAL  64   6.279  -7.316  -5.610
  518   3HG2  VAL  64          HG22      VAL  64   6.140  -6.916  -7.320
  519    H    ILE  65           HN       ILE  65   5.281  -3.774  -3.430
  520    HA   ILE  65           HA       ILE  65   5.712  -0.978  -4.279
  521    HB   ILE  65           HB       ILE  65   3.679  -2.225  -2.423
  522   1HG1  ILE  65          HG12      ILE  65   3.050  -0.991  -5.096
  523   2HG1  ILE  65          HG11      ILE  65   3.748  -2.610  -5.067
  524   1HG2  ILE  65          HG22      ILE  65   4.047   0.601  -3.423
  525   2HG2  ILE  65          HG21      ILE  65   2.522   0.017  -2.762
  526   3HG2  ILE  65          HG23      ILE  65   3.963   0.054  -1.749
  527   1HD1  ILE  65          HD13      ILE  65   1.301  -1.842  -3.446
  528   2HD1  ILE  65          HD12      ILE  65   1.217  -2.560  -5.054
  529   3HD1  ILE  65          HD11      ILE  65   1.940  -3.462  -3.722
  530    H    TRP  66           HN       TRP  66   6.618  -3.038  -1.622
  531    HA   TRP  66           HA       TRP  66   7.751  -0.638  -0.211
  532   1HB   TRP  66           HB2      TRP  66   6.216  -2.947   1.010
  533   2HB   TRP  66           HB1      TRP  66   7.253  -1.882   1.962
  534    HD1  TRP  66           HD1      TRP  66   6.606   0.733   2.007
  535    HE1  TRP  66           HE1      TRP  66   4.344   1.928   1.684
  536    HE3  TRP  66           HE3      TRP  66   3.913  -3.073  -0.076
  537    HZ2  TRP  66           HZ2      TRP  66   1.724   1.343   0.669
  538    HZ3  TRP  66           HZ3      TRP  66   1.531  -2.732  -0.710
  539    HH2  TRP  66           HH2      TRP  66   0.443  -0.530  -0.343
  540    HA   PRO  67           HA       PRO  67  10.967  -3.931  -0.893
  541   1HB   PRO  67           HB2      PRO  67  12.789  -2.041  -1.995
  542   2HB   PRO  67           HB1      PRO  67  11.848  -3.242  -2.897
  543   1HG   PRO  67           HG2      PRO  67  11.469  -0.344  -2.814
  544   2HG   PRO  67           HG1      PRO  67  10.658  -1.529  -3.847
  545   1HD   PRO  67           HD2      PRO  67   9.573  -0.170  -1.536
  546   2HD   PRO  67           HD1      PRO  67   8.763  -1.362  -2.572
  547    H    SER  68           HN       SER  68  10.953  -0.652   0.371
  548    HA   SER  68           HA       SER  68  13.360  -0.365   1.689
  549   1HB   SER  68           HB2      SER  68  11.316   1.180   1.782
  550   2HB   SER  68           HB1      SER  68  10.734   0.160   3.095
  551    HG   SER  68           HG       SER  68  12.044   1.208   4.340
  552    H    ARG  69           HN       ARG  69  10.706  -2.496   2.638
  553    HA   ARG  69           HA       ARG  69  12.288  -3.401   4.997
  554   1HB   ARG  69           HB2      ARG  69   9.421  -3.932   4.154
  555   2HB   ARG  69           HB1      ARG  69  10.169  -4.598   5.606
  556   1HG   ARG  69           HG2      ARG  69  10.265  -1.618   5.161
  557   2HG   ARG  69           HG1      ARG  69   8.764  -2.343   5.727
  558   1HD   ARG  69           HD2      ARG  69   9.788  -3.187   7.702
  559   2HD   ARG  69           HD1      ARG  69  11.411  -2.896   7.081
  560    HE   ARG  69           HE       ARG  69  10.287  -0.373   7.133
  561   1HH1  ARG  69          HH21      ARG  69  10.647  -2.986   9.348
  562   2HH1  ARG  69          HH22      ARG  69  10.742  -1.966  10.746
  563   1HH2  ARG  69          HH11      ARG  69  10.412   0.977   8.944
  564   2HH2  ARG  69          HH12      ARG  69  10.611   0.279  10.516
  565    H    TYR  70           HN       TYR  70  11.364  -4.365   1.804
  566    HA   TYR  70           HA       TYR  70  12.256  -7.194   2.333
  567   1HB   TYR  70           HB2      TYR  70  10.526  -5.940   0.179
  568   2HB   TYR  70           HB1      TYR  70  11.213  -7.552   0.006
  569    HD1  TYR  70           HD2      TYR  70  10.730  -9.300   1.816
  570    HD2  TYR  70           HD1      TYR  70   8.610  -5.578   1.483
  571    HE1  TYR  70           HE2      TYR  70   8.906 -10.218   3.239
  572    HE2  TYR  70           HE1      TYR  70   6.778  -6.484   2.910
  573    HH   TYR  70           HH       TYR  70   5.967  -9.136   3.391
  574    H    GLN  71           HN       GLN  71  14.507  -6.904   2.155
  575    HA   GLN  71           HA       GLN  71  15.514  -6.440  -0.580
  576   1HB   GLN  71           HB2      GLN  71  17.211  -4.774   0.293
  577   2HB   GLN  71           HB1      GLN  71  15.555  -4.173   0.238
  578   1HG   GLN  71           HG2      GLN  71  15.273  -4.377   2.577
  579   2HG   GLN  71           HG1      GLN  71  16.660  -5.450   2.743
  580   1HE2  GLN  71          HE22      GLN  71  17.523  -1.486   2.024
  581   2HE2  GLN  71          HE21      GLN  71  16.212  -2.204   1.215
  582    H    ALA  72           HN       ALA  72  15.620  -8.854   0.516
  583    HA   ALA  72           HA       ALA  72  18.127  -9.180   2.055
  584   1HB   ALA  72           HB1      ALA  72  16.108 -11.207   1.043
  585   2HB   ALA  72           HB3      ALA  72  17.498 -11.587   2.059
  586   3HB   ALA  72           HB2      ALA  72  16.204 -10.565   2.683
  587    H    GLY  73           HN       GLY  73  16.936 -11.136  -0.672
  588   1HA   GLY  73           HA2      GLY  73  19.659 -11.375  -1.710
  589   2HA   GLY  73           HA1      GLY  73  18.212 -12.095  -2.421
  590    H    GLU  74           HN       GLU  74  20.532 -10.199  -3.394
  591    HA   GLU  74           HA       GLU  74  18.737  -8.568  -5.113
  592   1HB   GLU  74           HB2      GLU  74  20.317  -6.591  -4.738
  593   2HB   GLU  74           HB1      GLU  74  19.231  -6.973  -3.401
  594   1HG   GLU  74           HG2      GLU  74  20.958  -8.050  -2.166
  595   2HG   GLU  74           HG1      GLU  74  22.026  -8.109  -3.569
   
  No H/Q in entry =         595
  Start of MODEL          14
 Raw file had  612 H/Q atoms
  Start of MODEL   14
    1   1H    CYS   1           HT1      CYS   1  14.384  14.085  -3.586
    2   2H    CYS   1           HT3      CYS   1  14.534  15.769  -3.716
    3   3H    CYS   1           HT2      CYS   1  14.521  14.809  -5.117
    4    HA   CYS   1           HA       CYS   1  16.663  14.169  -4.903
    5   1HB   CYS   1           HB2      CYS   1  16.456  16.747  -3.325
    6   2HB   CYS   1           HB1      CYS   1  17.996  16.042  -3.823
    7    HG   CYS   1           HG       CYS   1  16.205  17.646  -5.610
    8    H    SER   2           HN       SER   2  17.029  15.709  -1.802
    9    HA   SER   2           HA       SER   2  18.238  13.393  -0.629
   10   1HB   SER   2           HB2      SER   2  18.310  14.665   1.410
   11   2HB   SER   2           HB1      SER   2  18.564  15.806   0.094
   12    HG   SER   2           HG       SER   2  16.738  15.926   1.947
   13    H    ASN   3           HN       ASN   3  17.224  11.584   0.086
   14    HA   ASN   3           HA       ASN   3  15.464  10.158   0.730
   15   1HB   ASN   3           HB2      ASN   3  14.566  12.552   2.353
   16   2HB   ASN   3           HB1      ASN   3  14.291  10.848   2.713
   17   1HD2  ASN   3          HD22      ASN   3  17.126  11.545   4.859
   18   2HD2  ASN   3          HD21      ASN   3  15.434  11.663   4.831
   19    H    GLU   4           HN       GLU   4  14.369  10.070  -1.290
   20    HA   GLU   4           HA       GLU   4  12.066  11.958  -1.627
   21   1HB   GLU   4           HB2      GLU   4  13.969  11.601  -3.426
   22   2HB   GLU   4           HB1      GLU   4  13.063  10.138  -3.812
   23   1HG   GLU   4           HG2      GLU   4  12.052  12.995  -3.874
   24   2HG   GLU   4           HG1      GLU   4  12.240  11.901  -5.244
   25    H    LYS   5           HN       LYS   5  12.793   8.609  -2.620
   26    HA   LYS   5           HA       LYS   5  10.195   7.731  -1.393
   27   1HB   LYS   5           HB2      LYS   5   9.987   6.219  -3.445
   28   2HB   LYS   5           HB1      LYS   5   9.691   7.935  -3.724
   29   1HG   LYS   5           HG2      LYS   5  11.814   8.259  -4.731
   30   2HG   LYS   5           HG1      LYS   5  12.434   6.729  -4.107
   31   1HD   LYS   5           HD2      LYS   5  11.861   6.628  -6.541
   32   2HD   LYS   5           HD1      LYS   5  10.950   5.474  -5.567
   33   1HE   LYS   5           HE2      LYS   5   8.976   6.777  -5.656
   34   2HE   LYS   5           HE1      LYS   5   9.848   8.214  -6.194
   35   1HZ   LYS   5           HZ2      LYS   5  10.461   6.809  -8.208
   36   2HZ   LYS   5           HZ1      LYS   5   9.207   5.771  -7.722
   37   3HZ   LYS   5           HZ3      LYS   5   8.866   7.385  -8.114
   38    H    ALA   6           HN       ALA   6  13.528   7.330  -1.697
   39    HA   ALA   6           HA       ALA   6  14.998   5.574  -1.155
   40   1HB   ALA   6           HB1      ALA   6  13.869   6.007   1.035
   41   2HB   ALA   6           HB3      ALA   6  12.680   4.768   0.630
   42   3HB   ALA   6           HB2      ALA   6  14.375   4.327   0.848
   43    H    ARG   7           HN       ARG   7  13.340   2.999  -0.155
   44    HA   ARG   7           HA       ARG   7  13.320   1.761  -2.870
   45   1HB   ARG   7           HB2      ARG   7  12.944   0.379  -0.200
   46   2HB   ARG   7           HB1      ARG   7  13.389  -0.359  -1.736
   47   1HG   ARG   7           HG2      ARG   7  15.098   1.647  -0.232
   48   2HG   ARG   7           HG1      ARG   7  15.313  -0.101  -0.154
   49   1HD   ARG   7           HD2      ARG   7  15.271   0.382  -2.901
   50   2HD   ARG   7           HD1      ARG   7  16.127   1.789  -2.280
   51    HE   ARG   7           HE       ARG   7  17.271  -0.755  -2.605
   52   1HH1  ARG   7          HH21      ARG   7  16.823   1.525  -0.050
   53   2HH1  ARG   7          HH22      ARG   7  18.138   0.914   0.893
   54   1HH2  ARG   7          HH11      ARG   7  18.986  -1.544  -1.390
   55   2HH2  ARG   7          HH12      ARG   7  19.362  -0.817   0.135
   56    H    ASP   8           HN       ASP   8  11.276   2.748  -0.247
   57    HA   ASP   8           HA       ASP   8   8.968   1.172  -1.020
   58   1HB   ASP   8           HB2      ASP   8   9.002   3.707   0.645
   59   2HB   ASP   8           HB1      ASP   8   7.784   2.427   0.660
   60    H    TRP   9           HN       TRP   9   7.042   1.960  -1.974
   61    HA   TRP   9           HA       TRP   9   7.377   3.826  -4.179
   62   1HB   TRP   9           HB2      TRP   9   5.049   2.314  -2.957
   63   2HB   TRP   9           HB1      TRP   9   4.792   3.480  -4.243
   64    HD1  TRP   9           HD1      TRP   9   7.682   0.941  -3.888
   65    HE1  TRP   9           HE1      TRP   9   7.717  -0.535  -6.001
   66    HE3  TRP   9           HE3      TRP   9   3.494   2.691  -6.238
   67    HZ2  TRP   9           HZ2      TRP   9   6.151  -0.948  -8.371
   68    HZ3  TRP   9           HZ3      TRP   9   2.772   1.726  -8.413
   69    HH2  TRP   9           HH2      TRP   9   4.095  -0.089  -9.478
   70    H    HIS  10           HN       HIS  10   7.270   6.049  -3.920
   71    HA   HIS  10           HA       HIS  10   6.869   7.473  -1.595
   72   1HB   HIS  10           HB2      HIS  10   7.407   8.312  -4.027
   73   2HB   HIS  10           HB1      HIS  10   5.664   8.569  -4.142
   74    HD1  HIS  10           HD1      HIS  10   8.731  10.090  -2.851
   75    HD2  HIS  10           HD2      HIS  10   4.665  10.363  -1.971
   76    HE1  HIS  10           HE1      HIS  10   8.436  12.190  -1.466
   77    H    ARG  11           HN       ARG  11   5.091   8.366  -0.484
   78    HA   ARG  11           HA       ARG  11   2.763   6.847  -0.201
   79   1HB   ARG  11           HB2      ARG  11   3.360   8.617   1.380
   80   2HB   ARG  11           HB1      ARG  11   3.046   9.847   0.158
   81   1HG   ARG  11           HG2      ARG  11   0.699   9.288   0.095
   82   2HG   ARG  11           HG1      ARG  11   0.948   7.886   1.132
   83   1HD   ARG  11           HD2      ARG  11   1.841   9.521   2.882
   84   2HD   ARG  11           HD1      ARG  11   1.199  10.815   1.878
   85    HE   ARG  11           HE       ARG  11  -0.281   9.177   3.714
   86   1HH1  ARG  11          HH21      ARG  11  -0.514  10.453   0.511
   87   2HH1  ARG  11          HH22      ARG  11  -2.224  10.212   0.411
   88   1HH2  ARG  11          HH11      ARG  11  -2.498   8.883   3.596
   89   2HH2  ARG  11          HH12      ARG  11  -3.346   9.334   2.155
   90    H    ALA  12           HN       ALA  12   3.513   9.197  -2.667
   91    HA   ALA  12           HA       ALA  12   0.729   9.271  -3.663
   92   1HB   ALA  12           HB1      ALA  12   2.236  11.289  -3.698
   93   2HB   ALA  12           HB3      ALA  12   3.222  10.463  -4.902
   94   3HB   ALA  12           HB2      ALA  12   1.547  10.873  -5.268
   95    H    ASP  13           HN       ASP  13   3.756   7.634  -4.287
   96    HA   ASP  13           HA       ASP  13   3.147   6.759  -6.964
   97   1HB   ASP  13           HB2      ASP  13   4.987   5.728  -4.810
   98   2HB   ASP  13           HB1      ASP  13   4.840   4.917  -6.371
   99    H    VAL  14           HN       VAL  14   2.240   5.733  -3.787
  100    HA   VAL  14           HA       VAL  14   1.205   3.136  -4.630
  101    HB   VAL  14           HB       VAL  14   0.942   4.793  -2.108
  102   1HG1  VAL  14          HG11      VAL  14  -0.348   2.160  -2.838
  103   2HG1  VAL  14          HG13      VAL  14  -0.054   2.620  -1.160
  104   3HG1  VAL  14          HG12      VAL  14  -1.113   3.603  -2.172
  105   1HG2  VAL  14          HG22      VAL  14   2.344   2.189  -2.776
  106   2HG2  VAL  14          HG21      VAL  14   3.118   3.742  -2.467
  107   3HG2  VAL  14          HG23      VAL  14   2.272   2.907  -1.166
  108    H    ILE  15           HN       ILE  15  -0.339   6.157  -3.471
  109    HA   ILE  15           HA       ILE  15  -2.960   5.258  -4.329
  110    HB   ILE  15           HB       ILE  15  -2.107   8.085  -3.652
  111   1HG1  ILE  15          HG12      ILE  15  -3.358   6.173  -1.671
  112   2HG1  ILE  15          HG11      ILE  15  -1.618   6.116  -1.930
  113   1HG2  ILE  15          HG22      ILE  15  -4.764   6.615  -3.599
  114   2HG2  ILE  15          HG21      ILE  15  -4.517   8.243  -2.970
  115   3HG2  ILE  15          HG23      ILE  15  -4.306   7.922  -4.689
  116   1HD1  ILE  15          HD12      ILE  15  -1.466   8.525  -1.428
  117   2HD1  ILE  15          HD11      ILE  15  -3.199   8.558  -1.099
  118   3HD1  ILE  15          HD13      ILE  15  -2.124   7.606  -0.075
  119    H    ALA  16           HN       ALA  16  -0.707   7.748  -5.625
  120    HA   ALA  16           HA       ALA  16  -2.336   8.549  -7.798
  121   1HB   ALA  16           HB3      ALA  16  -0.066   9.529  -7.022
  122   2HB   ALA  16           HB2      ALA  16   0.658   8.308  -8.071
  123   3HB   ALA  16           HB1      ALA  16  -0.419   9.528  -8.750
  124    H    GLY  17           HN       GLY  17   0.221   6.059  -7.769
  125   1HA   GLY  17           HA2      GLY  17  -0.122   5.165 -10.424
  126   2HA   GLY  17           HA1      GLY  17   0.491   4.167  -9.106
  127    H    LEU  18           HN       LEU  18  -1.685   3.934  -7.448
  128    HA   LEU  18           HA       LEU  18  -3.253   1.956  -8.796
  129   1HB   LEU  18           HB2      LEU  18  -3.443   3.335  -6.126
  130   2HB   LEU  18           HB1      LEU  18  -4.721   2.237  -6.637
  131    HG   LEU  18           HG       LEU  18  -1.811   1.404  -6.720
  132   1HD1  LEU  18          HD13      LEU  18  -2.526   2.163  -4.381
  133   2HD1  LEU  18          HD12      LEU  18  -3.677   0.831  -4.410
  134   3HD1  LEU  18          HD11      LEU  18  -1.947   0.505  -4.516
  135   1HD2  LEU  18          HD22      LEU  18  -4.475  -0.042  -6.692
  136   2HD2  LEU  18          HD21      LEU  18  -3.212  -0.126  -7.917
  137   3HD2  LEU  18          HD23      LEU  18  -2.964  -0.871  -6.342
  138    H    LYS  19           HN       LYS  19  -4.007   5.322  -7.886
  139    HA   LYS  19           HA       LYS  19  -6.726   5.280  -8.785
  140   1HB   LYS  19           HB2      LYS  19  -4.674   7.477  -8.475
  141   2HB   LYS  19           HB1      LYS  19  -6.281   7.818  -9.113
  142   1HG   LYS  19           HG2      LYS  19  -7.150   6.605  -6.984
  143   2HG   LYS  19           HG1      LYS  19  -5.515   6.838  -6.368
  144   1HD   LYS  19           HD2      LYS  19  -7.420   8.985  -7.326
  145   2HD   LYS  19           HD1      LYS  19  -6.880   8.722  -5.667
  146   1HE   LYS  19           HE2      LYS  19  -4.473   9.035  -6.733
  147   2HE   LYS  19           HE1      LYS  19  -5.374   9.872  -7.997
  148   1HZ   LYS  19           HZ1      LYS  19  -6.475  10.967  -5.868
  149   2HZ   LYS  19           HZ3      LYS  19  -4.951  10.616  -5.212
  150   3HZ   LYS  19           HZ2      LYS  19  -5.075  11.596  -6.595
  151    H    LYS  20           HN       LYS  20  -3.692   5.499 -10.457
  152    HA   LYS  20           HA       LYS  20  -4.507   6.749 -12.825
  153   1HB   LYS  20           HB2      LYS  20  -2.141   5.983 -12.175
  154   2HB   LYS  20           HB1      LYS  20  -2.607   4.399 -12.795
  155   1HG   LYS  20           HG2      LYS  20  -3.195   5.460 -14.973
  156   2HG   LYS  20           HG1      LYS  20  -2.615   7.003 -14.349
  157   1HD   LYS  20           HD2      LYS  20  -0.383   5.958 -13.948
  158   2HD   LYS  20           HD1      LYS  20  -0.975   4.479 -14.702
  159   1HE   LYS  20           HE2      LYS  20  -1.393   5.676 -16.795
  160   2HE   LYS  20           HE1      LYS  20  -0.890   7.193 -16.050
  161   1HZ   LYS  20           HZ1      LYS  20   1.296   6.186 -15.646
  162   2HZ   LYS  20           HZ3      LYS  20   0.803   4.791 -16.474
  163   3HZ   LYS  20           HZ2      LYS  20   0.921   6.270 -17.300
  164    H    ARG  21           HN       ARG  21  -5.017   3.464 -11.746
  165    HA   ARG  21           HA       ARG  21  -6.342   2.780 -14.317
  166   1HB   ARG  21           HB2      ARG  21  -5.650   1.242 -11.796
  167   2HB   ARG  21           HB1      ARG  21  -6.768   0.587 -12.993
  168   1HG   ARG  21           HG2      ARG  21  -5.024   0.819 -14.735
  169   2HG   ARG  21           HG1      ARG  21  -3.906   1.438 -13.520
  170   1HD   ARG  21           HD2      ARG  21  -3.454  -0.922 -13.784
  171   2HD   ARG  21           HD1      ARG  21  -4.251  -0.703 -12.224
  172    HE   ARG  21           HE       ARG  21  -6.333  -1.225 -13.988
  173   1HH1  ARG  21          HH21      ARG  21  -3.353  -2.710 -13.090
  174   2HH1  ARG  21          HH22      ARG  21  -3.908  -4.321 -13.400
  175   1HH2  ARG  21          HH11      ARG  21  -7.074  -3.324 -14.403
  176   2HH2  ARG  21          HH12      ARG  21  -6.011  -4.668 -14.145
  177    H    LYS  22           HN       LYS  22  -7.528   1.572 -11.319
  178    HA   LYS  22           HA       LYS  22  -9.566   3.641 -11.005
  179   1HB   LYS  22           HB2      LYS  22 -10.272   0.850 -11.979
  180   2HB   LYS  22           HB1      LYS  22 -11.435   1.873 -11.144
  181   1HG   LYS  22           HG2      LYS  22 -10.922   3.668 -12.890
  182   2HG   LYS  22           HG1      LYS  22 -10.051   2.422 -13.778
  183   1HD   LYS  22           HD2      LYS  22 -12.166   2.274 -14.754
  184   2HD   LYS  22           HD1      LYS  22 -12.280   1.041 -13.502
  185   1HE   LYS  22           HE2      LYS  22 -13.460   2.578 -12.027
  186   2HE   LYS  22           HE1      LYS  22 -13.217   3.909 -13.156
  187   1HZ   LYS  22           HZ2      LYS  22 -14.522   2.692 -14.796
  188   2HZ   LYS  22           HZ1      LYS  22 -14.785   1.442 -13.676
  189   3HZ   LYS  22           HZ3      LYS  22 -15.422   2.987 -13.385
  190    H    LEU  23           HN       LEU  23  -7.657   3.049  -9.190
  191    HA   LEU  23           HA       LEU  23  -9.167   1.548  -7.084
  192   1HB   LEU  23           HB2      LEU  23  -6.305   1.152  -7.950
  193   2HB   LEU  23           HB1      LEU  23  -6.815   0.735  -6.317
  194    HG   LEU  23           HG       LEU  23  -7.972  -0.392  -8.885
  195   1HD1  LEU  23          HD11      LEU  23  -5.691  -1.156  -8.346
  196   2HD1  LEU  23          HD13      LEU  23  -6.220  -1.604  -6.723
  197   3HD1  LEU  23          HD12      LEU  23  -6.856  -2.457  -8.134
  198   1HD2  LEU  23          HD23      LEU  23  -8.800  -0.571  -6.002
  199   2HD2  LEU  23          HD22      LEU  23  -9.791  -0.652  -7.456
  200   3HD2  LEU  23          HD21      LEU  23  -8.868  -2.061  -6.946
  201    H    SER  24           HN       SER  24  -8.849   2.237  -5.001
  202    HA   SER  24           HA       SER  24  -6.954   4.417  -4.411
  203   1HB   SER  24           HB2      SER  24  -8.879   5.715  -3.313
  204   2HB   SER  24           HB1      SER  24  -8.816   5.769  -5.075
  205    HG   SER  24           HG       SER  24 -10.911   5.250  -4.049
  206    H    LEU  25           HN       LEU  25  -6.270   4.210  -2.257
  207    HA   LEU  25           HA       LEU  25  -6.533   1.907  -0.778
  208   1HB   LEU  25           HB2      LEU  25  -6.463   4.702   0.400
  209   2HB   LEU  25           HB1      LEU  25  -6.087   3.220   1.279
  210    HG   LEU  25           HG       LEU  25  -4.597   4.155  -1.199
  211   1HD1  LEU  25          HD13      LEU  25  -3.870   4.389   1.737
  212   2HD1  LEU  25          HD12      LEU  25  -2.801   4.782   0.391
  213   3HD1  LEU  25          HD11      LEU  25  -4.266   5.725   0.658
  214   1HD2  LEU  25          HD21      LEU  25  -4.272   1.867   0.754
  215   2HD2  LEU  25          HD23      LEU  25  -4.246   1.824  -1.009
  216   3HD2  LEU  25          HD22      LEU  25  -2.879   2.496  -0.126
  217    H    SER  26           HN       SER  26  -8.935   4.451  -1.032
  218    HA   SER  26           HA       SER  26 -10.581   3.474   1.154
  219   1HB   SER  26           HB2      SER  26 -11.515   5.130  -1.195
  220   2HB   SER  26           HB1      SER  26 -12.201   5.073   0.426
  221    HG   SER  26           HG       SER  26 -10.929   6.735   0.712
  222    H    ALA  27           HN       ALA  27 -10.574   3.054  -2.378
  223    HA   ALA  27           HA       ALA  27 -12.982   1.588  -2.626
  224   1HB   ALA  27           HB1      ALA  27 -11.509   2.415  -4.516
  225   2HB   ALA  27           HB3      ALA  27 -10.441   1.053  -4.184
  226   3HB   ALA  27           HB2      ALA  27 -12.098   0.765  -4.713
  227    H    LEU  28           HN       LEU  28  -9.671   0.416  -2.020
  228    HA   LEU  28           HA       LEU  28 -10.300  -2.351  -1.829
  229   1HB   LEU  28           HB2      LEU  28  -8.131  -0.584  -0.710
  230   2HB   LEU  28           HB1      LEU  28  -8.228  -2.261  -0.186
  231    HG   LEU  28           HG       LEU  28  -6.676  -1.980  -2.069
  232   1HD1  LEU  28          HD12      LEU  28  -8.437  -4.005  -1.768
  233   2HD1  LEU  28          HD11      LEU  28  -8.950  -3.445  -3.357
  234   3HD1  LEU  28          HD13      LEU  28  -7.285  -3.954  -3.097
  235   1HD2  LEU  28          HD21      LEU  28  -7.873  -0.032  -3.082
  236   2HD2  LEU  28          HD23      LEU  28  -7.446  -1.279  -4.254
  237   3HD2  LEU  28          HD22      LEU  28  -9.108  -1.144  -3.677
  238    H    SER  29           HN       SER  29 -10.475   0.266   0.514
  239    HA   SER  29           HA       SER  29 -10.872  -1.338   2.838
  240   1HB   SER  29           HB2      SER  29 -12.178   1.354   2.531
  241   2HB   SER  29           HB1      SER  29 -11.356   0.665   3.927
  242    HG   SER  29           HG       SER  29  -9.537   0.697   2.129
  243    H    ARG  30           HN       ARG  30 -13.330   0.290   0.779
  244    HA   ARG  30           HA       ARG  30 -15.547  -0.902   2.176
  245   1HB   ARG  30           HB2      ARG  30 -16.853  -0.196   0.140
  246   2HB   ARG  30           HB1      ARG  30 -15.919   1.102   0.886
  247   1HG   ARG  30           HG2      ARG  30 -14.121   0.768  -0.759
  248   2HG   ARG  30           HG1      ARG  30 -15.032  -0.547  -1.499
  249   1HD   ARG  30           HD2      ARG  30 -15.945   2.336  -1.291
  250   2HD   ARG  30           HD1      ARG  30 -15.362   1.545  -2.755
  251    HE   ARG  30           HE       ARG  30 -17.445  -0.074  -1.949
  252   1HH1  ARG  30          HH21      ARG  30 -16.989   3.296  -2.499
  253   2HH1  ARG  30          HH22      ARG  30 -18.620   3.569  -3.020
  254   1HH2  ARG  30          HH11      ARG  30 -19.577   0.258  -2.623
  255   2HH2  ARG  30          HH12      ARG  30 -20.090   1.847  -3.080
  256    H    GLN  31           HN       GLN  31 -13.452  -2.063  -0.348
  257    HA   GLN  31           HA       GLN  31 -15.244  -4.025  -1.443
  258   1HB   GLN  31           HB2      GLN  31 -12.257  -3.645  -1.449
  259   2HB   GLN  31           HB1      GLN  31 -12.947  -5.141  -2.075
  260   1HG   GLN  31           HG2      GLN  31 -14.345  -3.857  -3.647
  261   2HG   GLN  31           HG1      GLN  31 -13.682  -2.348  -3.016
  262   1HE2  GLN  31          HE22      GLN  31 -11.597  -4.436  -5.777
  263   2HE2  GLN  31          HE21      GLN  31 -13.151  -4.909  -5.279
  264    H    PHE  32           HN       PHE  32 -13.064  -4.056   1.350
  265    HA   PHE  32           HA       PHE  32 -13.763  -6.926   1.845
  266   1HB   PHE  32           HB2      PHE  32 -11.602  -5.103   2.929
  267   2HB   PHE  32           HB1      PHE  32 -11.982  -6.656   3.677
  268    HD1  PHE  32           HD1      PHE  32 -11.020  -5.066   0.427
  269    HD2  PHE  32           HD2      PHE  32 -11.183  -8.691   2.748
  270    HE1  PHE  32           HE1      PHE  32  -9.713  -6.246  -1.329
  271    HE2  PHE  32           HE2      PHE  32  -9.870  -9.872   0.994
  272    HZ   PHE  32           HZ       PHE  32  -9.140  -8.651  -1.046
  273    H    GLY  33           HN       GLY  33 -14.099  -3.680   3.226
  274   1HA   GLY  33           HA2      GLY  33 -16.153  -3.205   4.489
  275   2HA   GLY  33           HA1      GLY  33 -16.075  -4.825   5.163
  276    H    TYR  34           HN       TYR  34 -12.935  -4.004   5.421
  277    HA   TYR  34           HA       TYR  34 -12.977  -3.608   8.200
  278   1HB   TYR  34           HB2      TYR  34 -10.951  -2.692   6.139
  279   2HB   TYR  34           HB1      TYR  34 -10.710  -2.426   7.865
  280    HD1  TYR  34           HD2      TYR  34 -11.349  -4.712   9.325
  281    HD2  TYR  34           HD1      TYR  34  -9.847  -4.563   5.280
  282    HE1  TYR  34           HE2      TYR  34 -10.486  -7.026   9.555
  283    HE2  TYR  34           HE1      TYR  34  -8.978  -6.877   5.523
  284    HH   TYR  34           HH       TYR  34  -9.307  -8.834   6.841
  285    H    ALA  35           HN       ALA  35 -11.686  -0.867   6.438
  286    HA   ALA  35           HA       ALA  35 -13.837   0.929   6.816
  287   1HB   ALA  35           HB1      ALA  35 -11.902   0.694   9.107
  288   2HB   ALA  35           HB3      ALA  35 -12.683   2.239   8.764
  289   3HB   ALA  35           HB2      ALA  35 -13.660   0.825   9.157
  290    HA   PRO  36           HA       PRO  36 -11.091   3.231   4.210
  291   1HB   PRO  36           HB2      PRO  36 -11.800   5.855   5.188
  292   2HB   PRO  36           HB1      PRO  36 -12.394   5.049   3.729
  293   1HG   PRO  36           HG2      PRO  36 -13.801   5.475   6.257
  294   2HG   PRO  36           HG1      PRO  36 -14.444   4.842   4.735
  295   1HD   PRO  36           HD2      PRO  36 -13.940   3.342   7.115
  296   2HD   PRO  36           HD1      PRO  36 -14.361   2.694   5.513
  297    H    THR  37           HN       THR  37 -11.212   4.076   7.654
  298    HA   THR  37           HA       THR  37  -8.650   5.428   7.663
  299    HB   THR  37           HB       THR  37  -8.872   5.463  10.054
  300    HG1  THR  37           HG1      THR  37  -9.625   3.104   9.900
  301   1HG2  THR  37          HG23      THR  37 -10.477   6.876   8.808
  302   2HG2  THR  37          HG22      THR  37 -11.642   5.551   8.828
  303   3HG2  THR  37          HG21      THR  37 -11.153   6.320  10.339
  304    H    THR  38           HN       THR  38  -9.703   2.107   8.380
  305    HA   THR  38           HA       THR  38  -7.286   1.114   9.444
  306    HB   THR  38           HB       THR  38  -9.449  -0.196   7.777
  307    HG1  THR  38           HG1      THR  38 -10.229  -0.012   9.729
  308   1HG2  THR  38          HG21      THR  38  -6.911  -1.384   8.893
  309   2HG2  THR  38          HG23      THR  38  -8.358  -2.362   8.645
  310   3HG2  THR  38          HG22      THR  38  -7.584  -1.565   7.274
  311    H    LEU  39           HN       LEU  39  -8.319   0.822   6.018
  312    HA   LEU  39           HA       LEU  39  -5.923  -0.163   5.012
  313   1HB   LEU  39           HB2      LEU  39  -8.326   0.722   3.920
  314   2HB   LEU  39           HB1      LEU  39  -7.164   1.829   3.205
  315    HG   LEU  39           HG       LEU  39  -7.267   0.048   1.672
  316   1HD1  LEU  39          HD11      LEU  39  -4.872   0.569   2.819
  317   2HD1  LEU  39          HD13      LEU  39  -4.985  -1.154   3.197
  318   3HD1  LEU  39          HD12      LEU  39  -5.064  -0.609   1.524
  319   1HD2  LEU  39          HD23      LEU  39  -7.420  -1.705   4.125
  320   2HD2  LEU  39          HD22      LEU  39  -8.536  -1.602   2.766
  321   3HD2  LEU  39          HD21      LEU  39  -6.971  -2.384   2.561
  322    H    ALA  40           HN       ALA  40  -6.827   3.300   4.967
  323    HA   ALA  40           HA       ALA  40  -4.358   4.306   4.075
  324   1HB   ALA  40           HB1      ALA  40  -6.552   5.569   4.451
  325   2HB   ALA  40           HB3      ALA  40  -6.070   5.699   6.143
  326   3HB   ALA  40           HB2      ALA  40  -5.075   6.432   4.883
  327    H    ASN  41           HN       ASN  41  -5.432   4.015   7.478
  328    HA   ASN  41           HA       ASN  41  -3.023   4.861   8.674
  329   1HB   ASN  41           HB2      ASN  41  -5.270   4.387   9.801
  330   2HB   ASN  41           HB1      ASN  41  -4.792   2.687   9.812
  331   1HD2  ASN  41          HD22      ASN  41  -2.350   3.109  12.362
  332   2HD2  ASN  41          HD21      ASN  41  -2.924   2.080  11.140
  333    H    ALA  42           HN       ALA  42  -3.521   2.070   6.791
  334    HA   ALA  42           HA       ALA  42  -1.659   0.318   8.162
  335   1HB   ALA  42           HB1      ALA  42  -3.464  -0.378   6.484
  336   2HB   ALA  42           HB3      ALA  42  -2.366   0.200   5.227
  337   3HB   ALA  42           HB2      ALA  42  -1.879  -1.127   6.280
  338    H    LEU  43           HN       LEU  43  -1.142   3.168   6.522
  339    HA   LEU  43           HA       LEU  43   1.328   2.367   5.158
  340   1HB   LEU  43           HB2      LEU  43  -0.043   5.021   5.610
  341   2HB   LEU  43           HB1      LEU  43   1.533   4.903   4.824
  342    HG   LEU  43           HG       LEU  43  -0.756   3.202   3.830
  343   1HD1  LEU  43          HD13      LEU  43  -0.244   6.095   3.078
  344   2HD1  LEU  43          HD12      LEU  43  -1.360   5.010   2.249
  345   3HD1  LEU  43          HD11      LEU  43  -1.666   5.479   3.922
  346   1HD2  LEU  43          HD22      LEU  43   1.681   4.479   2.536
  347   2HD2  LEU  43          HD21      LEU  43   1.458   2.766   2.888
  348   3HD2  LEU  43          HD23      LEU  43   0.463   3.551   1.664
  349    H    GLU  44           HN       GLU  44   0.642   2.900   8.398
  350    HA   GLU  44           HA       GLU  44   3.482   3.727   8.899
  351   1HB   GLU  44           HB2      GLU  44   2.682   5.051  10.853
  352   2HB   GLU  44           HB1      GLU  44   2.140   5.686   9.303
  353   1HG   GLU  44           HG2      GLU  44   0.158   5.747  10.533
  354   2HG   GLU  44           HG1      GLU  44   0.016   4.185   9.737
  355    H    ARG  45           HN       ARG  45   0.619   2.134  10.380
  356    HA   ARG  45           HA       ARG  45   2.259   1.084  12.543
  357   1HB   ARG  45           HB2      ARG  45   0.264  -0.242  13.142
  358   2HB   ARG  45           HB1      ARG  45  -0.146   1.454  12.876
  359   1HG   ARG  45           HG2      ARG  45  -0.943   0.937  10.622
  360   2HG   ARG  45           HG1      ARG  45  -0.464  -0.750  10.813
  361   1HD   ARG  45           HD2      ARG  45  -2.411   0.606  12.683
  362   2HD   ARG  45           HD1      ARG  45  -2.927  -0.259  11.235
  363    HE   ARG  45           HE       ARG  45  -1.287  -2.069  12.566
  364   1HH1  ARG  45          HH21      ARG  45  -4.059  -0.164  13.305
  365   2HH1  ARG  45          HH22      ARG  45  -4.688  -1.287  14.464
  366   1HH2  ARG  45          HH11      ARG  45  -2.092  -3.550  14.071
  367   2HH2  ARG  45          HH12      ARG  45  -3.577  -3.206  14.895
  368    H    HIS  46           HN       HIS  46   2.369  -1.342  12.939
  369    HA   HIS  46           HA       HIS  46   3.510  -2.617  10.540
  370   1HB   HIS  46           HB2      HIS  46   4.570  -2.777  12.830
  371   2HB   HIS  46           HB1      HIS  46   3.204  -3.781  13.324
  372    HD1  HIS  46           HD1      HIS  46   5.704  -3.734  10.424
  373    HD2  HIS  46           HD2      HIS  46   3.711  -6.449  12.882
  374    HE1  HIS  46           HE1      HIS  46   6.504  -6.039   9.743
  375    H    TRP  47           HN       TRP  47   2.083  -3.554   9.177
  376    HA   TRP  47           HA       TRP  47   0.354  -5.685  10.105
  377   1HB   TRP  47           HB2      TRP  47  -1.041  -3.712  10.683
  378   2HB   TRP  47           HB1      TRP  47  -0.941  -3.165   9.010
  379    HD1  TRP  47           HD1      TRP  47  -1.652  -6.718  10.403
  380    HE1  TRP  47           HE1      TRP  47  -3.838  -7.557   9.348
  381    HE3  TRP  47           HE3      TRP  47  -2.990  -2.565   7.738
  382    HZ2  TRP  47           HZ2      TRP  47  -5.897  -6.608   7.602
  383    HZ3  TRP  47           HZ3      TRP  47  -5.077  -2.557   6.386
  384    HH2  TRP  47           HH2      TRP  47  -6.533  -4.573   6.322
  385    HA   PRO  48           HA       PRO  48   2.218  -5.673   5.815
  386   1HB   PRO  48           HB2      PRO  48   2.637  -8.540   6.342
  387   2HB   PRO  48           HB1      PRO  48   3.829  -7.296   5.924
  388   1HG   PRO  48           HG2      PRO  48   3.524  -8.467   8.473
  389   2HG   PRO  48           HG1      PRO  48   4.412  -6.973   8.126
  390   1HD   PRO  48           HD2      PRO  48   1.814  -7.299   9.463
  391   2HD   PRO  48           HD1      PRO  48   2.861  -5.859   9.400
  392    H    LYS  49           HN       LYS  49  -0.357  -7.419   7.387
  393    HA   LYS  49           HA       LYS  49  -1.237  -8.852   5.028
  394   1HB   LYS  49           HB2      LYS  49  -1.858  -9.293   7.506
  395   2HB   LYS  49           HB1      LYS  49  -3.042  -8.010   7.300
  396   1HG   LYS  49           HG2      LYS  49  -3.071 -10.121   5.178
  397   2HG   LYS  49           HG1      LYS  49  -3.571 -10.642   6.777
  398   1HD   LYS  49           HD2      LYS  49  -5.228  -8.817   6.866
  399   2HD   LYS  49           HD1      LYS  49  -4.732  -8.292   5.259
  400   1HE   LYS  49           HE2      LYS  49  -5.516 -10.313   4.250
  401   2HE   LYS  49           HE1      LYS  49  -5.720 -11.096   5.818
  402   1HZ   LYS  49           HZ1      LYS  49  -7.172  -8.678   5.750
  403   2HZ   LYS  49           HZ3      LYS  49  -7.596  -9.622   4.407
  404   3HZ   LYS  49           HZ2      LYS  49  -7.748 -10.260   5.973
  405    H    GLY  50           HN       GLY  50  -1.507  -5.585   6.130
  406   1HA   GLY  50           HA2      GLY  50  -3.847  -4.879   4.538
  407   2HA   GLY  50           HA1      GLY  50  -2.711  -3.740   5.271
  408    H    GLU  51           HN       GLU  51  -0.410  -5.174   4.004
  409    HA   GLU  51           HA       GLU  51  -0.320  -3.647   1.543
  410   1HB   GLU  51           HB2      GLU  51   1.536  -5.920   2.297
  411   2HB   GLU  51           HB1      GLU  51   1.893  -4.518   1.292
  412   1HG   GLU  51           HG2      GLU  51   1.180  -4.300   4.230
  413   2HG   GLU  51           HG1      GLU  51   2.834  -4.417   3.646
  414    H    GLN  52           HN       GLN  52  -0.977  -6.977   2.447
  415    HA   GLN  52           HA       GLN  52  -0.893  -8.144  -0.157
  416   1HB   GLN  52           HB2      GLN  52  -2.573  -8.848   2.271
  417   2HB   GLN  52           HB1      GLN  52  -2.438  -9.860   0.832
  418   1HG   GLN  52           HG2      GLN  52   0.051  -9.896   1.168
  419   2HG   GLN  52           HG1      GLN  52  -0.191  -9.046   2.695
  420   1HE2  GLN  52          HE22      GLN  52  -2.374 -12.339   3.157
  421   2HE2  GLN  52          HE21      GLN  52  -2.883 -10.966   2.298
  422    H    ILE  53           HN       ILE  53  -3.522  -6.548   1.643
  423    HA   ILE  53           HA       ILE  53  -5.623  -7.008  -0.192
  424    HB   ILE  53           HB       ILE  53  -5.097  -4.570   1.538
  425   1HG1  ILE  53          HG12      ILE  53  -6.881  -6.986   2.002
  426   2HG1  ILE  53          HG11      ILE  53  -5.264  -6.816   2.684
  427   1HG2  ILE  53          HG22      ILE  53  -7.592  -5.515   0.091
  428   2HG2  ILE  53          HG21      ILE  53  -7.585  -4.259   1.325
  429   3HG2  ILE  53          HG23      ILE  53  -6.717  -4.010  -0.185
  430   1HD1  ILE  53          HD13      ILE  53  -6.229  -4.493   3.564
  431   2HD1  ILE  53          HD12      ILE  53  -7.777  -5.317   3.372
  432   3HD1  ILE  53          HD11      ILE  53  -6.551  -5.989   4.439
  433    H    ILE  54           HN       ILE  54  -3.393  -4.194  -0.072
  434    HA   ILE  54           HA       ILE  54  -4.400  -2.986  -2.465
  435    HB   ILE  54           HB       ILE  54  -1.673  -2.781  -1.159
  436   1HG1  ILE  54          HG12      ILE  54  -3.959  -0.799  -1.083
  437   2HG1  ILE  54          HG11      ILE  54  -3.841  -2.101   0.102
  438   1HG2  ILE  54          HG21      ILE  54  -3.003  -1.214  -3.377
  439   2HG2  ILE  54          HG23      ILE  54  -1.646  -0.571  -2.453
  440   3HG2  ILE  54          HG22      ILE  54  -1.439  -2.027  -3.419
  441   1HD1  ILE  54          HD13      ILE  54  -1.424  -1.246   0.510
  442   2HD1  ILE  54          HD12      ILE  54  -1.949   0.218  -0.319
  443   3HD1  ILE  54          HD11      ILE  54  -2.752  -0.294   1.161
  444    H    ALA  55           HN       ALA  55  -1.437  -4.940  -1.962
  445    HA   ALA  55           HA       ALA  55  -0.700  -5.049  -4.708
  446   1HB   ALA  55           HB2      ALA  55  -0.196  -7.080  -2.515
  447   2HB   ALA  55           HB1      ALA  55   0.674  -6.993  -4.047
  448   3HB   ALA  55           HB3      ALA  55   0.817  -5.684  -2.873
  449    H    ASN  56           HN       ASN  56  -3.058  -6.870  -2.871
  450    HA   ASN  56           HA       ASN  56  -3.347  -9.126  -4.581
  451   1HB   ASN  56           HB2      ASN  56  -4.468  -9.066  -2.421
  452   2HB   ASN  56           HB1      ASN  56  -5.447  -7.687  -2.928
  453   1HD2  ASN  56          HD22      ASN  56  -6.637 -11.418  -3.886
  454   2HD2  ASN  56          HD21      ASN  56  -5.317 -11.121  -2.862
  455    H    ALA  57           HN       ALA  57  -5.111  -6.017  -4.643
  456    HA   ALA  57           HA       ALA  57  -6.631  -6.632  -6.978
  457   1HB   ALA  57           HB3      ALA  57  -6.947  -4.728  -5.265
  458   2HB   ALA  57           HB2      ALA  57  -5.783  -3.838  -6.242
  459   3HB   ALA  57           HB1      ALA  57  -7.303  -4.382  -6.953
  460    H    LEU  58           HN       LEU  58  -3.320  -5.548  -6.613
  461    HA   LEU  58           HA       LEU  58  -3.128  -4.752  -9.453
  462   1HB   LEU  58           HB2      LEU  58  -1.260  -4.772  -7.094
  463   2HB   LEU  58           HB1      LEU  58  -0.588  -4.644  -8.712
  464    HG   LEU  58           HG       LEU  58  -2.768  -2.805  -7.679
  465   1HD1  LEU  58          HD12      LEU  58   0.249  -2.495  -7.614
  466   2HD1  LEU  58          HD11      LEU  58  -0.876  -1.160  -7.356
  467   3HD1  LEU  58          HD13      LEU  58  -0.848  -2.520  -6.235
  468   1HD2  LEU  58          HD23      LEU  58  -1.007  -2.897 -10.137
  469   2HD2  LEU  58          HD22      LEU  58  -2.735  -2.576 -10.023
  470   3HD2  LEU  58          HD21      LEU  58  -1.582  -1.340  -9.542
  471    H    GLU  59           HN       GLU  59  -3.476  -7.642  -8.095
  472    HA   GLU  59           HA       GLU  59  -2.768  -9.822  -8.625
  473   1HB   GLU  59           HB2      GLU  59  -2.024  -8.521 -11.262
  474   2HB   GLU  59           HB1      GLU  59  -2.375 -10.227 -10.989
  475   1HG   GLU  59           HG2      GLU  59  -4.679  -9.551 -10.219
  476   2HG   GLU  59           HG1      GLU  59  -4.308  -7.907 -10.738
  477    H    THR  60           HN       THR  60  -0.713  -7.585  -7.796
  478    HA   THR  60           HA       THR  60   1.762  -9.055  -8.650
  479    HB   THR  60           HB       THR  60   1.504  -6.555  -9.178
  480    HG1  THR  60           HG1      THR  60   3.503  -7.475  -9.238
  481   1HG2  THR  60          HG23      THR  60   0.584  -6.158  -6.759
  482   2HG2  THR  60          HG22      THR  60   2.287  -6.128  -6.305
  483   3HG2  THR  60          HG21      THR  60   1.667  -4.960  -7.470
  484    H    LYS  61           HN       LYS  61   3.526  -8.422  -6.736
  485    HA   LYS  61           HA       LYS  61   2.348  -9.626  -4.273
  486   1HB   LYS  61           HB2      LYS  61   5.304  -9.452  -4.872
  487   2HB   LYS  61           HB1      LYS  61   4.455 -10.609  -3.851
  488   1HG   LYS  61           HG2      LYS  61   4.991 -11.824  -5.809
  489   2HG   LYS  61           HG1      LYS  61   3.287 -11.430  -5.976
  490   1HD   LYS  61           HD2      LYS  61   3.656 -10.163  -7.848
  491   2HD   LYS  61           HD1      LYS  61   5.036  -9.341  -7.135
  492   1HE   LYS  61           HE2      LYS  61   6.502 -11.190  -7.704
  493   2HE   LYS  61           HE1      LYS  61   5.136 -12.158  -8.256
  494   1HZ   LYS  61           HZ1      LYS  61   4.745 -10.112  -9.792
  495   2HZ   LYS  61           HZ3      LYS  61   6.394  -9.823  -9.516
  496   3HZ   LYS  61           HZ2      LYS  61   5.896 -11.290 -10.215
  497    HA   PRO  62           HA       PRO  62   3.026  -5.802  -2.103
  498   1HB   PRO  62           HB2      PRO  62   4.099  -6.967   0.315
  499   2HB   PRO  62           HB1      PRO  62   2.440  -6.421   0.029
  500   1HG   PRO  62           HG2      PRO  62   3.437  -9.165   0.163
  501   2HG   PRO  62           HG1      PRO  62   1.761  -8.610   0.066
  502   1HD   PRO  62           HD2      PRO  62   3.251  -9.867  -2.019
  503   2HD   PRO  62           HD1      PRO  62   1.654  -9.105  -2.169
  504    H    GLU  63           HN       GLU  63   5.501  -8.257  -2.297
  505    HA   GLU  63           HA       GLU  63   7.758  -6.777  -1.416
  506   1HB   GLU  63           HB2      GLU  63   7.904  -8.737  -3.706
  507   2HB   GLU  63           HB1      GLU  63   9.052  -8.481  -2.389
  508   1HG   GLU  63           HG2      GLU  63   7.141  -9.269  -0.829
  509   2HG   GLU  63           HG1      GLU  63   6.373  -9.869  -2.299
  510    H    VAL  64           HN       VAL  64   5.750  -6.213  -4.105
  511    HA   VAL  64           HA       VAL  64   7.891  -4.977  -5.744
  512    HB   VAL  64           HB       VAL  64   4.898  -5.133  -6.213
  513   1HG1  VAL  64          HG12      VAL  64   7.239  -4.175  -7.870
  514   2HG1  VAL  64          HG11      VAL  64   5.721  -4.678  -8.613
  515   3HG1  VAL  64          HG13      VAL  64   5.744  -3.317  -7.492
  516   1HG2  VAL  64          HG21      VAL  64   7.219  -6.809  -7.225
  517   2HG2  VAL  64          HG23      VAL  64   5.885  -7.357  -6.211
  518   3HG2  VAL  64          HG22      VAL  64   5.586  -6.886  -7.881
  519    H    ILE  65           HN       ILE  65   5.211  -4.014  -3.646
  520    HA   ILE  65           HA       ILE  65   5.567  -1.173  -4.379
  521    HB   ILE  65           HB       ILE  65   3.762  -2.457  -2.319
  522   1HG1  ILE  65          HG12      ILE  65   2.906  -1.265  -4.960
  523   2HG1  ILE  65          HG11      ILE  65   3.472  -2.934  -4.891
  524   1HG2  ILE  65          HG22      ILE  65   3.875   0.351  -3.445
  525   2HG2  ILE  65          HG21      ILE  65   2.583  -0.259  -2.418
  526   3HG2  ILE  65          HG23      ILE  65   4.219  -0.118  -1.781
  527   1HD1  ILE  65          HD12      ILE  65   1.760  -3.329  -3.048
  528   2HD1  ILE  65          HD11      ILE  65   1.105  -1.736  -3.420
  529   3HD1  ILE  65          HD13      ILE  65   1.084  -3.006  -4.642
  530    H    TRP  66           HN       TRP  66   6.435  -3.387  -1.771
  531    HA   TRP  66           HA       TRP  66   8.012  -1.165  -0.501
  532   1HB   TRP  66           HB2      TRP  66   6.296  -3.256   0.866
  533   2HB   TRP  66           HB1      TRP  66   7.503  -2.286   1.713
  534    HD1  TRP  66           HD1      TRP  66   7.150   0.410   1.655
  535    HE1  TRP  66           HE1      TRP  66   4.986   1.808   1.528
  536    HE3  TRP  66           HE3      TRP  66   3.884  -3.186   0.052
  537    HZ2  TRP  66           HZ2      TRP  66   2.222   1.452   0.833
  538    HZ3  TRP  66           HZ3      TRP  66   1.488  -2.631  -0.333
  539    HH2  TRP  66           HH2      TRP  66   0.660  -0.320   0.055
  540    HA   PRO  67           HA       PRO  67  10.605  -4.949  -1.429
  541   1HB   PRO  67           HB2      PRO  67  12.634  -3.416  -2.679
  542   2HB   PRO  67           HB1      PRO  67  11.384  -4.356  -3.514
  543   1HG   PRO  67           HG2      PRO  67  11.600  -1.428  -3.223
  544   2HG   PRO  67           HG1      PRO  67  10.585  -2.358  -4.334
  545   1HD   PRO  67           HD2      PRO  67   9.732  -0.994  -1.973
  546   2HD   PRO  67           HD1      PRO  67   8.758  -2.082  -2.980
  547    H    SER  68           HN       SER  68  10.837  -1.973   0.157
  548    HA   SER  68           HA       SER  68  13.255  -1.451   1.167
  549   1HB   SER  68           HB2      SER  68  11.038  -0.566   2.007
  550   2HB   SER  68           HB1      SER  68  10.966  -1.975   3.066
  551    HG   SER  68           HG       SER  68  12.732   0.212   3.076
  552    H    ARG  69           HN       ARG  69  11.412  -3.810   3.139
  553    HA   ARG  69           HA       ARG  69  14.029  -4.982   3.941
  554   1HB   ARG  69           HB2      ARG  69  11.237  -5.174   5.085
  555   2HB   ARG  69           HB1      ARG  69  12.587  -6.137   5.690
  556   1HG   ARG  69           HG2      ARG  69  13.861  -3.996   6.047
  557   2HG   ARG  69           HG1      ARG  69  12.399  -3.111   5.619
  558   1HD   ARG  69           HD2      ARG  69  11.483  -4.909   7.545
  559   2HD   ARG  69           HD1      ARG  69  13.079  -4.477   8.147
  560    HE   ARG  69           HE       ARG  69  10.795  -2.856   8.383
  561   1HH1  ARG  69          HH21      ARG  69  13.969  -2.595   7.053
  562   2HH1  ARG  69          HH22      ARG  69  14.014  -0.871   7.168
  563   1HH2  ARG  69          HH11      ARG  69  10.848  -0.615   8.550
  564   2HH2  ARG  69          HH12      ARG  69  12.254   0.248   8.020
  565    H    TYR  70           HN       TYR  70  12.081  -5.668   1.435
  566    HA   TYR  70           HA       TYR  70  12.080  -8.642   1.881
  567   1HB   TYR  70           HB2      TYR  70  10.593  -6.814  -0.011
  568   2HB   TYR  70           HB1      TYR  70  10.764  -8.524  -0.392
  569    HD1  TYR  70           HD2      TYR  70  10.310 -10.131   1.779
  570    HD2  TYR  70           HD1      TYR  70   8.643  -6.221   1.118
  571    HE1  TYR  70           HE2      TYR  70   8.428 -10.674   3.313
  572    HE2  TYR  70           HE1      TYR  70   6.755  -6.759   2.645
  573    HH   TYR  70           HH       TYR  70   6.068  -8.230   4.272
  574    H    GLN  71           HN       GLN  71  13.438  -9.933   0.690
  575    HA   GLN  71           HA       GLN  71  14.692  -8.995  -1.782
  576   1HB   GLN  71           HB2      GLN  71  16.030  -7.987   0.173
  577   2HB   GLN  71           HB1      GLN  71  16.531  -9.639   0.531
  578   1HG   GLN  71           HG2      GLN  71  17.254  -9.788  -1.925
  579   2HG   GLN  71           HG1      GLN  71  17.057  -8.036  -1.979
  580   1HE2  GLN  71          HE22      GLN  71  20.502  -8.087  -0.990
  581   2HE2  GLN  71          HE21      GLN  71  19.467  -7.945  -2.330
  582    H    ALA  72           HN       ALA  72  13.058 -11.164  -1.474
  583    HA   ALA  72           HA       ALA  72  14.771 -13.563  -1.084
  584   1HB   ALA  72           HB2      ALA  72  11.803 -13.296  -1.638
  585   2HB   ALA  72           HB1      ALA  72  12.645 -14.808  -1.298
  586   3HB   ALA  72           HB3      ALA  72  12.537 -13.559  -0.057
  587    H    GLY  73           HN       GLY  73  14.158 -11.491  -3.575
  588   1HA   GLY  73           HA2      GLY  73  14.733 -13.613  -5.591
  589   2HA   GLY  73           HA1      GLY  73  13.371 -12.528  -5.878
  590    H    GLU  74           HN       GLU  74  13.826 -10.711  -7.009
  591    HA   GLU  74           HA       GLU  74  16.523  -9.473  -6.785
  592   1HB   GLU  74           HB2      GLU  74  16.419 -11.134  -8.744
  593   2HB   GLU  74           HB1      GLU  74  15.269 -10.021  -9.484
  594   1HG   GLU  74           HG2      GLU  74  17.018  -8.191  -9.113
  595   2HG   GLU  74           HG1      GLU  74  18.154  -9.492  -8.750
   
  No H/Q in entry =         595
  Start of MODEL          15
 Raw file had  612 H/Q atoms
  Start of MODEL   15
    1   1H    CYS   1           HT1      CYS   1  13.457  16.344   8.615
    2   2H    CYS   1           HT3      CYS   1  13.442  16.783  10.253
    3   3H    CYS   1           HT2      CYS   1  14.853  16.140   9.561
    4    HA   CYS   1           HA       CYS   1  14.189  14.038   9.809
    5   1HB   CYS   1           HB2      CYS   1  11.954  15.241  11.460
    6   2HB   CYS   1           HB1      CYS   1  12.762  13.693  11.707
    7    HG   CYS   1           HG       CYS   1  14.913  15.676  11.900
    8    H    SER   2           HN       SER   2  12.752  15.599   7.606
    9    HA   SER   2           HA       SER   2  10.070  14.502   7.476
   10   1HB   SER   2           HB2      SER   2  11.863  15.745   5.376
   11   2HB   SER   2           HB1      SER   2  10.201  15.249   5.068
   12    HG   SER   2           HG       SER   2  11.100  17.491   6.195
   13    H    ASN   3           HN       ASN   3   9.378  12.941   5.789
   14    HA   ASN   3           HA       ASN   3  11.338  10.716   5.560
   15   1HB   ASN   3           HB2      ASN   3   9.378   9.360   4.945
   16   2HB   ASN   3           HB1      ASN   3   9.072  10.228   6.449
   17   1HD2  ASN   3          HD22      ASN   3   7.169  11.559   3.044
   18   2HD2  ASN   3          HD21      ASN   3   8.682  10.803   2.899
   19    H    GLU   4           HN       GLU   4   9.898  13.216   3.694
   20    HA   GLU   4           HA       GLU   4   9.955  13.700   1.400
   21   1HB   GLU   4           HB2      GLU   4  12.494  12.129   1.859
   22   2HB   GLU   4           HB1      GLU   4  12.096  12.782   0.270
   23   1HG   GLU   4           HG2      GLU   4  12.066  15.031   1.106
   24   2HG   GLU   4           HG1      GLU   4  12.145  14.476   2.779
   25    H    LYS   5           HN       LYS   5  11.615  10.760   0.635
   26    HA   LYS   5           HA       LYS   5   9.077   9.438  -0.233
   27   1HB   LYS   5           HB2      LYS   5  10.074   8.958  -2.429
   28   2HB   LYS   5           HB1      LYS   5   9.998  10.701  -2.163
   29   1HG   LYS   5           HG2      LYS   5  12.420  10.413  -1.205
   30   2HG   LYS   5           HG1      LYS   5  12.402   8.880  -2.076
   31   1HD   LYS   5           HD2      LYS   5  11.833  11.586  -3.328
   32   2HD   LYS   5           HD1      LYS   5  13.375  10.737  -3.427
   33   1HE   LYS   5           HE2      LYS   5  12.365  10.073  -5.422
   34   2HE   LYS   5           HE1      LYS   5  11.883   8.756  -4.355
   35   1HZ   LYS   5           HZ2      LYS   5  10.243  11.185  -4.813
   36   2HZ   LYS   5           HZ1      LYS   5  10.051   9.745  -5.692
   37   3HZ   LYS   5           HZ3      LYS   5   9.774   9.758  -4.020
   38    H    ALA   6           HN       ALA   6  12.297   9.290   0.974
   39    HA   ALA   6           HA       ALA   6  13.661   7.485   1.604
   40   1HB   ALA   6           HB3      ALA   6  11.727   7.318   3.188
   41   2HB   ALA   6           HB2      ALA   6  10.966   6.181   2.077
   42   3HB   ALA   6           HB1      ALA   6  12.490   5.762   2.860
   43    H    ARG   7           HN       ARG   7  12.483   4.655   1.367
   44    HA   ARG   7           HA       ARG   7  13.300   4.236  -1.479
   45   1HB   ARG   7           HB2      ARG   7  13.128   2.389   0.917
   46   2HB   ARG   7           HB1      ARG   7  13.501   1.832  -0.712
   47   1HG   ARG   7           HG2      ARG   7  15.574   2.159   0.494
   48   2HG   ARG   7           HG1      ARG   7  15.452   3.385  -0.758
   49   1HD   ARG   7           HD2      ARG   7  15.103   5.105   0.764
   50   2HD   ARG   7           HD1      ARG   7  14.369   4.059   1.971
   51    HE   ARG   7           HE       ARG   7  17.137   4.846   1.800
   52   1HH1  ARG   7          HH21      ARG   7  15.180   2.066   2.417
   53   2HH1  ARG   7          HH22      ARG   7  16.447   1.205   3.222
   54   1HH2  ARG   7          HH11      ARG   7  18.778   3.738   2.848
   55   2HH2  ARG   7          HH12      ARG   7  18.478   2.149   3.468
   56    H    ASP   8           HN       ASP   8  10.651   3.893   0.759
   57    HA   ASP   8           HA       ASP   8   9.137   1.994  -0.808
   58   1HB   ASP   8           HB2      ASP   8   8.060   3.966   1.224
   59   2HB   ASP   8           HB1      ASP   8   7.347   2.421   0.738
   60    H    TRP   9           HN       TRP   9   6.932   2.548  -1.614
   61    HA   TRP   9           HA       TRP   9   7.055   4.541  -3.703
   62   1HB   TRP   9           HB2      TRP   9   4.892   2.753  -2.569
   63   2HB   TRP   9           HB1      TRP   9   4.559   3.889  -3.865
   64    HD1  TRP   9           HD1      TRP   9   7.694   1.658  -3.419
   65    HE1  TRP   9           HE1      TRP   9   7.958   0.215  -5.533
   66    HE3  TRP   9           HE3      TRP   9   3.423   2.959  -5.901
   67    HZ2  TRP   9           HZ2      TRP   9   6.515  -0.368  -7.948
   68    HZ3  TRP   9           HZ3      TRP   9   2.873   1.928  -8.094
   69    HH2  TRP   9           HH2      TRP   9   4.414   0.269  -9.119
   70    H    HIS  10           HN       HIS  10   6.882   6.703  -3.207
   71    HA   HIS  10           HA       HIS  10   6.109   7.974  -0.896
   72   1HB   HIS  10           HB2      HIS  10   6.882   8.985  -3.151
   73   2HB   HIS  10           HB1      HIS  10   5.169   9.029  -3.573
   74    HD1  HIS  10           HD1      HIS  10   3.603  10.452  -1.906
   75    HD2  HIS  10           HD2      HIS  10   7.706  11.045  -1.467
   76    HE1  HIS  10           HE1      HIS  10   3.879  12.586  -0.569
   77    H    ARG  11           HN       ARG  11   4.115   8.787  -0.021
   78    HA   ARG  11           HA       ARG  11   1.903   7.082  -0.025
   79   1HB   ARG  11           HB2      ARG  11   0.586   9.193   0.676
   80   2HB   ARG  11           HB1      ARG  11   1.959   8.728   1.677
   81   1HG   ARG  11           HG2      ARG  11   3.367  10.391   0.690
   82   2HG   ARG  11           HG1      ARG  11   2.200  10.712  -0.594
   83   1HD   ARG  11           HD2      ARG  11   1.765  11.248   2.360
   84   2HD   ARG  11           HD1      ARG  11   2.102  12.469   1.132
   85    HE   ARG  11           HE       ARG  11  -0.142  11.211   0.148
   86   1HH1  ARG  11          HH21      ARG  11   0.778  12.566   3.181
   87   2HH1  ARG  11          HH22      ARG  11  -0.822  13.100   3.580
   88   1HH2  ARG  11          HH11      ARG  11  -2.240  11.903   0.652
   89   2HH2  ARG  11          HH12      ARG  11  -2.528  12.726   2.148
   90    H    ALA  12           HN       ALA  12   2.806   9.462  -2.383
   91    HA   ALA  12           HA       ALA  12   0.156   9.391  -3.704
   92   1HB   ALA  12           HB2      ALA  12   1.463  11.503  -3.594
   93   2HB   ALA  12           HB1      ALA  12   2.728  10.743  -4.562
   94   3HB   ALA  12           HB3      ALA  12   1.126  11.003  -5.251
   95    H    ASP  13           HN       ASP  13   3.353   7.968  -4.005
   96    HA   ASP  13           HA       ASP  13   3.028   7.041  -6.720
   97   1HB   ASP  13           HB2      ASP  13   4.781   6.139  -4.436
   98   2HB   ASP  13           HB1      ASP  13   4.822   5.360  -6.021
   99    H    VAL  14           HN       VAL  14   1.965   5.947  -3.605
  100    HA   VAL  14           HA       VAL  14   1.232   3.269  -4.495
  101    HB   VAL  14           HB       VAL  14   0.503   4.919  -2.057
  102   1HG1  VAL  14          HG13      VAL  14  -0.335   2.140  -2.885
  103   2HG1  VAL  14          HG12      VAL  14  -0.276   2.614  -1.187
  104   3HG1  VAL  14          HG11      VAL  14  -1.345   3.463  -2.303
  105   1HG2  VAL  14          HG21      VAL  14   2.325   2.531  -2.486
  106   2HG2  VAL  14          HG23      VAL  14   2.832   4.181  -2.132
  107   3HG2  VAL  14          HG22      VAL  14   1.963   3.248  -0.915
  108    H    ILE  15           HN       ILE  15  -0.688   6.131  -3.513
  109    HA   ILE  15           HA       ILE  15  -3.127   5.051  -4.617
  110    HB   ILE  15           HB       ILE  15  -2.485   7.936  -3.953
  111   1HG1  ILE  15          HG12      ILE  15  -3.928   6.030  -2.104
  112   2HG1  ILE  15          HG11      ILE  15  -2.169   6.002  -2.146
  113   1HG2  ILE  15          HG21      ILE  15  -5.088   6.390  -4.201
  114   2HG2  ILE  15          HG23      ILE  15  -4.964   8.050  -3.620
  115   3HG2  ILE  15          HG22      ILE  15  -4.523   7.665  -5.281
  116   1HD1  ILE  15          HD13      ILE  15  -3.827   8.475  -1.637
  117   2HD1  ILE  15          HD12      ILE  15  -3.023   7.512  -0.397
  118   3HD1  ILE  15          HD11      ILE  15  -2.067   8.362  -1.611
  119    H    ALA  16           HN       ALA  16  -0.927   7.646  -5.809
  120    HA   ALA  16           HA       ALA  16  -2.398   8.242  -8.147
  121   1HB   ALA  16           HB1      ALA  16  -0.285   9.415  -7.285
  122   2HB   ALA  16           HB3      ALA  16   0.621   8.139  -8.100
  123   3HB   ALA  16           HB2      ALA  16  -0.418   9.215  -9.031
  124    H    GLY  17           HN       GLY  17   0.282   5.922  -7.787
  125   1HA   GLY  17           HA2      GLY  17   0.187   4.855 -10.402
  126   2HA   GLY  17           HA1      GLY  17   0.790   3.993  -8.989
  127    H    LEU  18           HN       LEU  18  -1.494   3.710  -7.463
  128    HA   LEU  18           HA       LEU  18  -2.796   1.518  -8.784
  129   1HB   LEU  18           HB2      LEU  18  -3.201   3.001  -6.200
  130   2HB   LEU  18           HB1      LEU  18  -4.388   1.809  -6.701
  131    HG   LEU  18           HG       LEU  18  -1.451   1.114  -6.669
  132   1HD1  LEU  18          HD13      LEU  18  -2.120   1.995  -4.407
  133   2HD1  LEU  18          HD12      LEU  18  -3.364   0.754  -4.349
  134   3HD1  LEU  18          HD11      LEU  18  -1.662   0.297  -4.406
  135   1HD2  LEU  18          HD23      LEU  18  -4.033  -0.466  -6.415
  136   2HD2  LEU  18          HD22      LEU  18  -2.906  -0.504  -7.769
  137   3HD2  LEU  18          HD21      LEU  18  -2.431  -1.164  -6.208
  138    H    LYS  19           HN       LYS  19  -3.860   4.833  -8.088
  139    HA   LYS  19           HA       LYS  19  -6.534   4.538  -9.025
  140   1HB   LYS  19           HB2      LYS  19  -5.308   6.501  -7.737
  141   2HB   LYS  19           HB1      LYS  19  -5.050   7.138  -9.357
  142   1HG   LYS  19           HG2      LYS  19  -7.469   7.068  -9.787
  143   2HG   LYS  19           HG1      LYS  19  -7.744   6.366  -8.192
  144   1HD   LYS  19           HD2      LYS  19  -6.528   8.446  -7.263
  145   2HD   LYS  19           HD1      LYS  19  -6.759   9.142  -8.868
  146   1HE   LYS  19           HE2      LYS  19  -9.258   8.447  -8.546
  147   2HE   LYS  19           HE1      LYS  19  -8.836   8.359  -6.835
  148   1HZ   LYS  19           HZ3      LYS  19  -7.747  10.713  -7.761
  149   2HZ   LYS  19           HZ2      LYS  19  -9.298  10.641  -8.454
  150   3HZ   LYS  19           HZ1      LYS  19  -9.112  10.543  -6.768
  151    H    LYS  20           HN       LYS  20  -3.566   4.622 -10.779
  152    HA   LYS  20           HA       LYS  20  -4.434   5.828 -13.193
  153   1HB   LYS  20           HB2      LYS  20  -2.351   3.723 -12.617
  154   2HB   LYS  20           HB1      LYS  20  -2.694   4.215 -14.272
  155   1HG   LYS  20           HG2      LYS  20  -2.181   6.545 -13.724
  156   2HG   LYS  20           HG1      LYS  20  -1.922   6.109 -12.041
  157   1HD   LYS  20           HD2      LYS  20   0.278   6.089 -12.806
  158   2HD   LYS  20           HD1      LYS  20  -0.159   4.402 -13.070
  159   1HE   LYS  20           HE2      LYS  20   0.870   5.153 -15.099
  160   2HE   LYS  20           HE1      LYS  20  -0.861   5.089 -15.426
  161   1HZ   LYS  20           HZ2      LYS  20  -0.023   7.599 -14.330
  162   2HZ   LYS  20           HZ1      LYS  20   0.746   7.244 -15.804
  163   3HZ   LYS  20           HZ3      LYS  20  -0.947   7.277 -15.717
  164    H    ARG  21           HN       ARG  21  -5.007   2.655 -11.882
  165    HA   ARG  21           HA       ARG  21  -6.375   1.818 -14.383
  166   1HB   ARG  21           HB2      ARG  21  -5.815   0.435 -11.728
  167   2HB   ARG  21           HB1      ARG  21  -6.829  -0.273 -12.980
  168   1HG   ARG  21           HG2      ARG  21  -4.795  -1.225 -13.567
  169   2HG   ARG  21           HG1      ARG  21  -4.696   0.251 -14.521
  170   1HD   ARG  21           HD2      ARG  21  -3.529   1.305 -12.489
  171   2HD   ARG  21           HD1      ARG  21  -3.385  -0.339 -11.859
  172    HE   ARG  21           HE       ARG  21  -2.359  -0.520 -14.427
  173   1HH1  ARG  21          HH21      ARG  21  -1.823   1.454 -11.651
  174   2HH1  ARG  21          HH22      ARG  21  -0.144   1.711 -11.993
  175   1HH2  ARG  21          HH11      ARG  21  -0.171  -0.199 -14.888
  176   2HH2  ARG  21          HH12      ARG  21   0.790   0.774 -13.826
  177    H    LYS  22           HN       LYS  22  -7.646   0.880 -11.307
  178    HA   LYS  22           HA       LYS  22  -9.571   3.076 -11.195
  179   1HB   LYS  22           HB2      LYS  22 -11.570   1.600 -11.388
  180   2HB   LYS  22           HB1      LYS  22 -10.646   1.667 -12.888
  181   1HG   LYS  22           HG2      LYS  22  -9.432  -0.449 -11.993
  182   2HG   LYS  22           HG1      LYS  22 -10.773  -0.566 -10.857
  183   1HD   LYS  22           HD2      LYS  22 -11.147  -0.368 -13.860
  184   2HD   LYS  22           HD1      LYS  22 -11.084  -1.895 -12.984
  185   1HE   LYS  22           HE2      LYS  22 -12.961  -0.975 -11.513
  186   2HE   LYS  22           HE1      LYS  22 -13.125   0.317 -12.703
  187   1HZ   LYS  22           HZ3      LYS  22 -13.340  -1.485 -14.405
  188   2HZ   LYS  22           HZ2      LYS  22 -13.465  -2.596 -13.125
  189   3HZ   LYS  22           HZ1      LYS  22 -14.631  -1.375 -13.311
  190    H    LEU  23           HN       LEU  23  -7.667   2.315  -9.338
  191    HA   LEU  23           HA       LEU  23  -9.318   1.023  -7.171
  192   1HB   LEU  23           HB2      LEU  23  -6.318   0.970  -7.487
  193   2HB   LEU  23           HB1      LEU  23  -7.236   0.166  -6.224
  194    HG   LEU  23           HG       LEU  23  -7.375  -0.436  -9.196
  195   1HD1  LEU  23          HD11      LEU  23  -6.137  -1.869  -6.828
  196   2HD1  LEU  23          HD13      LEU  23  -6.354  -2.611  -8.415
  197   3HD1  LEU  23          HD12      LEU  23  -5.299  -1.212  -8.235
  198   1HD2  LEU  23          HD22      LEU  23  -8.873  -1.491  -6.788
  199   2HD2  LEU  23          HD21      LEU  23  -9.526  -0.963  -8.338
  200   3HD2  LEU  23          HD23      LEU  23  -8.657  -2.490  -8.222
  201    H    SER  24           HN       SER  24  -9.255   1.963  -5.147
  202    HA   SER  24           HA       SER  24  -7.493   4.275  -4.630
  203   1HB   SER  24           HB2      SER  24  -9.573   5.594  -3.870
  204   2HB   SER  24           HB1      SER  24  -9.287   5.486  -5.607
  205    HG   SER  24           HG       SER  24 -11.461   4.992  -5.011
  206    H    LEU  25           HN       LEU  25  -6.839   4.104  -2.501
  207    HA   LEU  25           HA       LEU  25  -7.441   2.015  -0.796
  208   1HB   LEU  25           HB2      LEU  25  -7.006   4.850   0.183
  209   2HB   LEU  25           HB1      LEU  25  -6.691   3.364   1.081
  210    HG   LEU  25           HG       LEU  25  -5.308   3.993  -1.545
  211   1HD1  LEU  25          HD11      LEU  25  -4.818   5.791   0.071
  212   2HD1  LEU  25          HD13      LEU  25  -4.363   4.587   1.276
  213   3HD1  LEU  25          HD12      LEU  25  -3.401   4.774  -0.190
  214   1HD2  LEU  25          HD21      LEU  25  -4.796   2.075   0.757
  215   2HD2  LEU  25          HD23      LEU  25  -5.147   1.663  -0.922
  216   3HD2  LEU  25          HD22      LEU  25  -3.608   2.408  -0.500
  217    H    SER  26           HN       SER  26  -9.523   4.708  -1.515
  218    HA   SER  26           HA       SER  26 -11.204   4.372   0.842
  219   1HB   SER  26           HB2      SER  26 -11.428   6.528  -0.002
  220   2HB   SER  26           HB1      SER  26 -11.336   5.990  -1.677
  221    HG   SER  26           HG       SER  26 -13.490   6.501  -0.271
  222    H    ALA  27           HN       ALA  27 -11.341   3.287  -2.543
  223    HA   ALA  27           HA       ALA  27 -13.952   2.053  -2.233
  224   1HB   ALA  27           HB3      ALA  27 -11.767   1.879  -4.306
  225   2HB   ALA  27           HB2      ALA  27 -13.164   0.806  -4.380
  226   3HB   ALA  27           HB1      ALA  27 -13.387   2.553  -4.471
  227    H    LEU  28           HN       LEU  28 -10.600   0.933  -2.030
  228    HA   LEU  28           HA       LEU  28 -11.169  -1.850  -1.726
  229   1HB   LEU  28           HB2      LEU  28  -8.850  -0.073  -0.974
  230   2HB   LEU  28           HB1      LEU  28  -8.868  -1.769  -0.486
  231    HG   LEU  28           HG       LEU  28  -9.026  -2.503  -2.771
  232   1HD1  LEU  28          HD11      LEU  28  -9.465   0.424  -3.348
  233   2HD1  LEU  28          HD13      LEU  28  -8.951  -0.694  -4.605
  234   3HD1  LEU  28          HD12      LEU  28 -10.491  -0.938  -3.786
  235   1HD2  LEU  28          HD21      LEU  28  -6.770  -1.825  -1.924
  236   2HD2  LEU  28          HD23      LEU  28  -6.919  -1.661  -3.674
  237   3HD2  LEU  28          HD22      LEU  28  -7.018  -0.234  -2.643
  238    H    SER  29           HN       SER  29 -11.154   0.839   0.520
  239    HA   SER  29           HA       SER  29 -11.172  -0.704   2.939
  240   1HB   SER  29           HB2      SER  29 -11.798   1.328   4.024
  241   2HB   SER  29           HB1      SER  29 -10.747   1.793   2.689
  242    HG   SER  29           HG       SER  29 -12.908   1.901   1.518
  243    H    ARG  30           HN       ARG  30 -13.890   0.887   1.209
  244    HA   ARG  30           HA       ARG  30 -15.889  -0.387   2.844
  245   1HB   ARG  30           HB2      ARG  30 -17.131   0.321   0.395
  246   2HB   ARG  30           HB1      ARG  30 -17.078   1.295   1.861
  247   1HG   ARG  30           HG2      ARG  30 -15.064   2.407   1.127
  248   2HG   ARG  30           HG1      ARG  30 -14.882   1.296  -0.220
  249   1HD   ARG  30           HD2      ARG  30 -16.248   2.549  -1.533
  250   2HD   ARG  30           HD1      ARG  30 -17.523   2.551  -0.324
  251    HE   ARG  30           HE       ARG  30 -15.849   4.753  -0.995
  252   1HH1  ARG  30          HH21      ARG  30 -16.890   3.048   1.818
  253   2HH1  ARG  30          HH22      ARG  30 -16.625   4.387   2.881
  254   1HH2  ARG  30          HH11      ARG  30 -15.510   6.499   0.372
  255   2HH2  ARG  30          HH12      ARG  30 -15.847   6.339   2.063
  256    H    GLN  31           HN       GLN  31 -14.273  -1.291  -0.135
  257    HA   GLN  31           HA       GLN  31 -16.135  -3.289  -0.965
  258   1HB   GLN  31           HB2      GLN  31 -13.199  -2.854  -1.442
  259   2HB   GLN  31           HB1      GLN  31 -14.041  -4.226  -2.143
  260   1HG   GLN  31           HG2      GLN  31 -15.438  -1.622  -2.530
  261   2HG   GLN  31           HG1      GLN  31 -13.875  -1.728  -3.333
  262   1HE2  GLN  31          HE22      GLN  31 -14.952  -4.166  -5.695
  263   2HE2  GLN  31          HE21      GLN  31 -13.599  -3.431  -4.980
  264    H    PHE  32           HN       PHE  32 -13.596  -3.325   1.469
  265    HA   PHE  32           HA       PHE  32 -14.043  -6.269   1.876
  266   1HB   PHE  32           HB2      PHE  32 -11.726  -4.428   2.510
  267   2HB   PHE  32           HB1      PHE  32 -11.922  -5.965   3.358
  268    HD1  PHE  32           HD1      PHE  32 -11.366  -4.390   0.042
  269    HD2  PHE  32           HD2      PHE  32 -11.628  -8.085   2.237
  270    HE1  PHE  32           HE1      PHE  32 -10.443  -5.619  -1.914
  271    HE2  PHE  32           HE2      PHE  32 -10.700  -9.312   0.284
  272    HZ   PHE  32           HZ       PHE  32 -10.109  -8.080  -1.792
  273    H    GLY  33           HN       GLY  33 -14.288  -3.105   3.393
  274   1HA   GLY  33           HA2      GLY  33 -16.163  -2.960   5.068
  275   2HA   GLY  33           HA1      GLY  33 -15.496  -4.409   5.809
  276    H    TYR  34           HN       TYR  34 -12.777  -3.815   5.862
  277    HA   TYR  34           HA       TYR  34 -12.460  -2.352   8.203
  278   1HB   TYR  34           HB2      TYR  34 -10.390  -2.271   6.005
  279   2HB   TYR  34           HB1      TYR  34 -10.127  -2.245   7.748
  280    HD1  TYR  34           HD2      TYR  34 -11.590  -4.351   8.922
  281    HD2  TYR  34           HD1      TYR  34  -9.722  -4.295   5.036
  282    HE1  TYR  34           HE2      TYR  34 -11.493  -6.830   8.936
  283    HE2  TYR  34           HE1      TYR  34  -9.626  -6.774   5.054
  284    HH   TYR  34           HH       TYR  34  -9.625  -8.610   6.707
  285    H    ALA  35           HN       ALA  35 -12.833  -0.271   8.700
  286    HA   ALA  35           HA       ALA  35 -13.752   1.712   6.998
  287   1HB   ALA  35           HB3      ALA  35 -12.703   1.593   9.705
  288   2HB   ALA  35           HB2      ALA  35 -12.228   3.111   8.949
  289   3HB   ALA  35           HB1      ALA  35 -13.934   2.673   9.059
  290    HA   PRO  36           HA       PRO  36 -10.438   3.202   4.521
  291   1HB   PRO  36           HB2      PRO  36 -10.590   6.006   5.140
  292   2HB   PRO  36           HB1      PRO  36 -11.334   5.171   3.770
  293   1HG   PRO  36           HG2      PRO  36 -12.633   6.203   6.187
  294   2HG   PRO  36           HG1      PRO  36 -13.386   5.580   4.712
  295   1HD   PRO  36           HD2      PRO  36 -13.284   4.265   7.241
  296   2HD   PRO  36           HD1      PRO  36 -13.817   3.566   5.698
  297    H    THR  37           HN       THR  37 -10.583   4.424   7.833
  298    HA   THR  37           HA       THR  37  -7.958   5.421   8.118
  299    HB   THR  37           HB       THR  37  -8.237   5.032  10.500
  300    HG1  THR  37           HG1      THR  37  -9.434   3.450  11.229
  301   1HG2  THR  37          HG22      THR  37  -9.677   6.754   9.351
  302   2HG2  THR  37          HG21      THR  37 -10.968   5.556   9.308
  303   3HG2  THR  37          HG23      THR  37 -10.353   6.134  10.855
  304    H    THR  38           HN       THR  38  -9.129   2.092   8.712
  305    HA   THR  38           HA       THR  38  -6.688   0.917   9.457
  306    HB   THR  38           HB       THR  38  -9.020  -0.205   7.886
  307    HG1  THR  38           HG1      THR  38  -8.826   0.456  10.317
  308   1HG2  THR  38          HG23      THR  38  -6.483  -1.533   8.832
  309   2HG2  THR  38          HG22      THR  38  -7.984  -2.445   8.685
  310   3HG2  THR  38          HG21      THR  38  -7.280  -1.675   7.263
  311    H    LEU  39           HN       LEU  39  -8.033   0.889   6.115
  312    HA   LEU  39           HA       LEU  39  -5.785  -0.184   4.864
  313   1HB   LEU  39           HB2      LEU  39  -8.190   1.123   4.043
  314   2HB   LEU  39           HB1      LEU  39  -6.892   1.931   3.182
  315    HG   LEU  39           HG       LEU  39  -7.597   0.156   1.771
  316   1HD1  LEU  39          HD12      LEU  39  -4.985   0.272   2.604
  317   2HD1  LEU  39          HD11      LEU  39  -5.352  -1.421   2.948
  318   3HD1  LEU  39          HD13      LEU  39  -5.557  -0.781   1.314
  319   1HD2  LEU  39          HD23      LEU  39  -8.868  -1.056   3.545
  320   2HD2  LEU  39          HD22      LEU  39  -7.933  -2.139   2.517
  321   3HD2  LEU  39          HD21      LEU  39  -7.352  -1.739   4.133
  322    H    ALA  40           HN       ALA  40  -6.456   3.290   5.394
  323    HA   ALA  40           HA       ALA  40  -4.040   4.295   4.331
  324   1HB   ALA  40           HB2      ALA  40  -5.866   5.260   6.528
  325   2HB   ALA  40           HB1      ALA  40  -4.414   6.162   6.093
  326   3HB   ALA  40           HB3      ALA  40  -5.683   5.898   4.897
  327    H    ASN  41           HN       ASN  41  -4.765   3.208   7.641
  328    HA   ASN  41           HA       ASN  41  -2.170   3.733   8.727
  329   1HB   ASN  41           HB2      ASN  41  -4.409   1.862   9.529
  330   2HB   ASN  41           HB1      ASN  41  -2.907   1.973  10.452
  331   1HD2  ASN  41          HD22      ASN  41  -5.703   4.618  11.279
  332   2HD2  ASN  41          HD21      ASN  41  -5.958   3.070  10.631
  333    H    ALA  42           HN       ALA  42  -3.227   1.314   6.527
  334    HA   ALA  42           HA       ALA  42  -1.400  -0.776   7.333
  335   1HB   ALA  42           HB3      ALA  42  -3.443  -1.106   5.887
  336   2HB   ALA  42           HB2      ALA  42  -2.558  -0.331   4.572
  337   3HB   ALA  42           HB1      ALA  42  -1.975  -1.850   5.252
  338    H    LEU  43           HN       LEU  43  -0.646   2.225   6.296
  339    HA   LEU  43           HA       LEU  43   1.463   1.493   4.373
  340   1HB   LEU  43           HB2      LEU  43   0.815   4.134   5.709
  341   2HB   LEU  43           HB1      LEU  43   1.999   3.914   4.421
  342    HG   LEU  43           HG       LEU  43  -0.934   3.188   4.151
  343   1HD1  LEU  43          HD12      LEU  43  -0.518   5.646   4.540
  344   2HD1  LEU  43          HD11      LEU  43   0.474   5.647   3.081
  345   3HD1  LEU  43          HD13      LEU  43  -1.247   5.273   2.978
  346   1HD2  LEU  43          HD21      LEU  43   1.438   3.270   2.276
  347   2HD2  LEU  43          HD23      LEU  43   0.243   1.992   2.489
  348   3HD2  LEU  43          HD22      LEU  43  -0.195   3.474   1.648
  349    H    GLU  44           HN       GLU  44   1.258   2.569   7.765
  350    HA   GLU  44           HA       GLU  44   4.132   1.759   8.084
  351   1HB   GLU  44           HB2      GLU  44   4.324   3.600   9.767
  352   2HB   GLU  44           HB1      GLU  44   4.049   4.180   8.126
  353   1HG   GLU  44           HG2      GLU  44   1.614   4.353   8.629
  354   2HG   GLU  44           HG1      GLU  44   1.951   3.870  10.292
  355    H    ARG  45           HN       ARG  45   0.943   1.242   9.096
  356    HA   ARG  45           HA       ARG  45   1.557   0.646  11.890
  357   1HB   ARG  45           HB2      ARG  45  -0.736   1.301  11.043
  358   2HB   ARG  45           HB1      ARG  45  -0.831  -0.281  10.268
  359   1HG   ARG  45           HG2      ARG  45  -1.747  -0.987  12.247
  360   2HG   ARG  45           HG1      ARG  45  -0.094  -0.982  12.849
  361   1HD   ARG  45           HD2      ARG  45  -2.198   1.169  13.172
  362   2HD   ARG  45           HD1      ARG  45  -1.366   0.266  14.433
  363    HE   ARG  45           HE       ARG  45   0.660   1.611  13.069
  364   1HH1  ARG  45          HH21      ARG  45  -2.289   2.403  14.675
  365   2HH1  ARG  45          HH22      ARG  45  -1.756   3.979  15.154
  366   1HH2  ARG  45          HH11      ARG  45   1.367   3.665  13.684
  367   2HH2  ARG  45          HH12      ARG  45   0.311   4.694  14.593
  368    H    HIS  46           HN       HIS  46   2.057  -1.366  12.771
  369    HA   HIS  46           HA       HIS  46   3.296  -3.326  11.097
  370   1HB   HIS  46           HB2      HIS  46   3.707  -2.964  13.581
  371   2HB   HIS  46           HB1      HIS  46   2.185  -3.812  13.878
  372    HD1  HIS  46           HD1      HIS  46   2.167  -6.354  13.591
  373    HD2  HIS  46           HD2      HIS  46   5.780  -4.624  12.434
  374    HE1  HIS  46           HE1      HIS  46   3.788  -8.263  13.209
  375    H    TRP  47           HN       TRP  47   1.700  -3.837   9.473
  376    HA   TRP  47           HA       TRP  47  -0.022  -6.068  10.197
  377   1HB   TRP  47           HB2      TRP  47  -1.425  -4.131  10.879
  378   2HB   TRP  47           HB1      TRP  47  -1.322  -3.500   9.238
  379    HD1  TRP  47           HD1      TRP  47  -2.065  -7.077  10.554
  380    HE1  TRP  47           HE1      TRP  47  -4.226  -7.904   9.426
  381    HE3  TRP  47           HE3      TRP  47  -3.281  -2.919   7.836
  382    HZ2  TRP  47           HZ2      TRP  47  -6.222  -6.936   7.605
  383    HZ3  TRP  47           HZ3      TRP  47  -5.322  -2.894   6.415
  384    HH2  TRP  47           HH2      TRP  47  -6.795  -4.898   6.301
  385    HA   PRO  48           HA       PRO  48   1.858  -5.807   5.931
  386   1HB   PRO  48           HB2      PRO  48   2.314  -8.685   6.210
  387   2HB   PRO  48           HB1      PRO  48   3.503  -7.389   5.993
  388   1HG   PRO  48           HG2      PRO  48   3.042  -8.847   8.387
  389   2HG   PRO  48           HG1      PRO  48   4.011  -7.371   8.232
  390   1HD   PRO  48           HD2      PRO  48   1.358  -7.704   9.443
  391   2HD   PRO  48           HD1      PRO  48   2.448  -6.296   9.529
  392    H    LYS  49           HN       LYS  49  -0.703  -7.685   7.372
  393    HA   LYS  49           HA       LYS  49  -1.558  -9.018   4.954
  394   1HB   LYS  49           HB2      LYS  49  -2.319  -9.867   7.086
  395   2HB   LYS  49           HB1      LYS  49  -3.029  -8.316   7.506
  396   1HG   LYS  49           HG2      LYS  49  -4.741  -9.948   6.768
  397   2HG   LYS  49           HG1      LYS  49  -4.681  -8.549   5.701
  398   1HD   LYS  49           HD2      LYS  49  -3.558  -9.750   4.000
  399   2HD   LYS  49           HD1      LYS  49  -3.073 -11.034   5.104
  400   1HE   LYS  49           HE2      LYS  49  -5.250 -11.948   5.184
  401   2HE   LYS  49           HE1      LYS  49  -5.989 -10.477   4.550
  402   1HZ   LYS  49           HZ3      LYS  49  -4.109 -11.354   2.691
  403   2HZ   LYS  49           HZ2      LYS  49  -5.036 -12.708   3.136
  404   3HZ   LYS  49           HZ1      LYS  49  -5.795 -11.314   2.528
  405    H    GLY  50           HN       GLY  50  -1.841  -5.771   6.119
  406   1HA   GLY  50           HA2      GLY  50  -4.172  -5.056   4.507
  407   2HA   GLY  50           HA1      GLY  50  -3.082  -3.920   5.306
  408    H    GLU  51           HN       GLU  51  -0.683  -5.165   4.064
  409    HA   GLU  51           HA       GLU  51  -0.648  -3.584   1.635
  410   1HB   GLU  51           HB2      GLU  51   1.337  -5.729   2.427
  411   2HB   GLU  51           HB1      GLU  51   1.622  -4.312   1.416
  412   1HG   GLU  51           HG2      GLU  51   1.111  -2.862   3.387
  413   2HG   GLU  51           HG1      GLU  51   0.987  -4.314   4.377
  414    H    GLN  52           HN       GLN  52  -1.040  -7.007   2.422
  415    HA   GLN  52           HA       GLN  52  -0.809  -8.050  -0.223
  416   1HB   GLN  52           HB2      GLN  52  -2.635  -9.076   1.973
  417   2HB   GLN  52           HB1      GLN  52  -2.000  -9.997   0.614
  418   1HG   GLN  52           HG2      GLN  52  -0.175  -8.670   2.626
  419   2HG   GLN  52           HG1      GLN  52  -0.800 -10.298   2.866
  420   1HE2  GLN  52          HE22      GLN  52   2.482 -10.484   1.029
  421   2HE2  GLN  52          HE21      GLN  52   2.007  -9.794   2.506
  422    H    ILE  53           HN       ILE  53  -3.562  -6.696   1.578
  423    HA   ILE  53           HA       ILE  53  -5.622  -7.237  -0.277
  424    HB   ILE  53           HB       ILE  53  -5.163  -4.836   1.526
  425   1HG1  ILE  53          HG12      ILE  53  -7.056  -7.197   1.781
  426   2HG1  ILE  53          HG11      ILE  53  -5.471  -7.123   2.551
  427   1HG2  ILE  53          HG21      ILE  53  -7.611  -5.608  -0.091
  428   2HG2  ILE  53          HG23      ILE  53  -7.627  -4.425   1.215
  429   3HG2  ILE  53          HG22      ILE  53  -6.680  -4.119  -0.233
  430   1HD1  ILE  53          HD12      ILE  53  -6.403  -4.803   3.487
  431   2HD1  ILE  53          HD11      ILE  53  -7.964  -5.568   3.187
  432   3HD1  ILE  53          HD13      ILE  53  -6.808  -6.321   4.281
  433    H    ILE  54           HN       ILE  54  -3.582  -4.303  -0.076
  434    HA   ILE  54           HA       ILE  54  -4.529  -3.175  -2.533
  435    HB   ILE  54           HB       ILE  54  -1.963  -2.713  -0.990
  436   1HG1  ILE  54          HG12      ILE  54  -4.407  -0.940  -1.087
  437   2HG1  ILE  54          HG11      ILE  54  -4.346  -2.302   0.032
  438   1HG2  ILE  54          HG23      ILE  54  -3.235  -1.314  -3.345
  439   2HG2  ILE  54          HG22      ILE  54  -2.135  -0.467  -2.262
  440   3HG2  ILE  54          HG21      ILE  54  -1.572  -1.867  -3.170
  441   1HD1  ILE  54          HD13      ILE  54  -1.960  -0.484   0.006
  442   2HD1  ILE  54          HD12      ILE  54  -3.441   0.141   0.724
  443   3HD1  ILE  54          HD11      ILE  54  -2.714  -1.337   1.349
  444    H    ALA  55           HN       ALA  55  -1.331  -4.684  -1.857
  445    HA   ALA  55           HA       ALA  55  -0.427  -4.643  -4.530
  446   1HB   ALA  55           HB1      ALA  55   0.875  -5.260  -2.404
  447   2HB   ALA  55           HB3      ALA  55   0.216  -6.883  -2.606
  448   3HB   ALA  55           HB2      ALA  55   1.248  -6.186  -3.857
  449    H    ASN  56           HN       ASN  56  -2.477  -6.997  -2.872
  450    HA   ASN  56           HA       ASN  56  -2.454  -9.026  -4.867
  451   1HB   ASN  56           HB2      ASN  56  -3.483  -9.458  -2.714
  452   2HB   ASN  56           HB1      ASN  56  -4.665  -8.173  -2.971
  453   1HD2  ASN  56          HD22      ASN  56  -5.218 -11.821  -4.712
  454   2HD2  ASN  56          HD21      ASN  56  -3.780 -11.471  -3.883
  455    H    ALA  57           HN       ALA  57  -4.287  -6.017  -4.607
  456    HA   ALA  57           HA       ALA  57  -6.089  -6.492  -6.770
  457   1HB   ALA  57           HB2      ALA  57  -6.143  -4.611  -5.010
  458   2HB   ALA  57           HB1      ALA  57  -4.992  -3.771  -6.050
  459   3HB   ALA  57           HB3      ALA  57  -6.597  -4.178  -6.658
  460    H    LEU  58           HN       LEU  58  -2.724  -5.497  -6.710
  461    HA   LEU  58           HA       LEU  58  -2.777  -4.804  -9.595
  462   1HB   LEU  58           HB2      LEU  58  -0.719  -4.642  -7.399
  463   2HB   LEU  58           HB1      LEU  58  -0.226  -4.507  -9.080
  464    HG   LEU  58           HG       LEU  58  -2.414  -2.793  -7.878
  465   1HD1  LEU  58          HD11      LEU  58   0.568  -2.264  -8.080
  466   2HD1  LEU  58          HD13      LEU  58  -0.628  -1.023  -7.710
  467   3HD1  LEU  58          HD12      LEU  58  -0.387  -2.373  -6.602
  468   1HD2  LEU  58          HD22      LEU  58  -0.829  -2.783 -10.455
  469   2HD2  LEU  58          HD21      LEU  58  -2.567  -2.628 -10.227
  470   3HD2  LEU  58          HD23      LEU  58  -1.506  -1.282  -9.836
  471    H    GLU  59           HN       GLU  59  -3.028  -7.607  -8.192
  472    HA   GLU  59           HA       GLU  59  -2.322  -9.791  -8.656
  473   1HB   GLU  59           HB2      GLU  59  -1.777  -8.382 -11.266
  474   2HB   GLU  59           HB1      GLU  59  -1.546 -10.119 -11.061
  475   1HG   GLU  59           HG2      GLU  59  -4.136  -8.708 -10.383
  476   2HG   GLU  59           HG1      GLU  59  -3.814  -9.439 -11.947
  477    H    THR  60           HN       THR  60  -0.230  -7.519  -7.861
  478    HA   THR  60           HA       THR  60   2.217  -9.114  -8.554
  479    HB   THR  60           HB       THR  60   2.046  -6.648  -9.268
  480    HG1  THR  60           HG1      THR  60   3.989  -7.937  -9.033
  481   1HG2  THR  60          HG21      THR  60   1.137  -5.984  -6.949
  482   2HG2  THR  60          HG23      THR  60   2.806  -6.122  -6.395
  483   3HG2  THR  60          HG22      THR  60   2.388  -4.953  -7.648
  484    H    LYS  61           HN       LYS  61   3.933  -8.148  -6.602
  485    HA   LYS  61           HA       LYS  61   2.755  -9.338  -4.127
  486   1HB   LYS  61           HB2      LYS  61   5.654  -9.036  -4.954
  487   2HB   LYS  61           HB1      LYS  61   5.086  -9.875  -3.517
  488   1HG   LYS  61           HG2      LYS  61   4.199 -11.659  -4.734
  489   2HG   LYS  61           HG1      LYS  61   4.044 -10.722  -6.214
  490   1HD   LYS  61           HD2      LYS  61   6.745 -11.351  -5.003
  491   2HD   LYS  61           HD1      LYS  61   5.950 -12.467  -6.109
  492   1HE   LYS  61           HE2      LYS  61   7.190 -11.249  -7.640
  493   2HE   LYS  61           HE1      LYS  61   5.754 -10.233  -7.607
  494   1HZ   LYS  61           HZ1      LYS  61   7.419  -9.491  -5.481
  495   2HZ   LYS  61           HZ3      LYS  61   8.368  -9.564  -6.885
  496   3HZ   LYS  61           HZ2      LYS  61   6.983  -8.580  -6.847
  497    HA   PRO  62           HA       PRO  62   3.203  -5.382  -2.120
  498   1HB   PRO  62           HB2      PRO  62   4.126  -6.371   0.421
  499   2HB   PRO  62           HB1      PRO  62   2.467  -5.952  -0.024
  500   1HG   PRO  62           HG2      PRO  62   3.639  -8.619   0.317
  501   2HG   PRO  62           HG1      PRO  62   1.935  -8.177   0.131
  502   1HD   PRO  62           HD2      PRO  62   3.575  -9.436  -1.832
  503   2HD   PRO  62           HD1      PRO  62   1.952  -8.762  -2.083
  504    H    GLU  63           HN       GLU  63   5.738  -7.778  -2.147
  505    HA   GLU  63           HA       GLU  63   7.916  -6.204  -1.173
  506   1HB   GLU  63           HB2      GLU  63   8.242  -8.271  -3.349
  507   2HB   GLU  63           HB1      GLU  63   9.326  -7.892  -2.010
  508   1HG   GLU  63           HG2      GLU  63   7.549  -8.737  -0.434
  509   2HG   GLU  63           HG1      GLU  63   6.639  -9.281  -1.843
  510    H    VAL  64           HN       VAL  64   6.050  -5.836  -3.989
  511    HA   VAL  64           HA       VAL  64   8.230  -4.636  -5.596
  512    HB   VAL  64           HB       VAL  64   5.250  -4.745  -6.161
  513   1HG1  VAL  64          HG12      VAL  64   7.660  -4.245  -7.934
  514   2HG1  VAL  64          HG11      VAL  64   5.997  -4.388  -8.501
  515   3HG1  VAL  64          HG13      VAL  64   6.459  -3.047  -7.452
  516   1HG2  VAL  64          HG22      VAL  64   7.496  -6.690  -6.703
  517   2HG2  VAL  64          HG21      VAL  64   5.885  -7.010  -6.065
  518   3HG2  VAL  64          HG23      VAL  64   6.093  -6.621  -7.770
  519    H    ILE  65           HN       ILE  65   5.504  -3.673  -3.601
  520    HA   ILE  65           HA       ILE  65   5.824  -0.829  -4.337
  521    HB   ILE  65           HB       ILE  65   3.986  -2.241  -2.393
  522   1HG1  ILE  65          HG12      ILE  65   3.152  -0.788  -4.902
  523   2HG1  ILE  65          HG11      ILE  65   3.780  -2.433  -5.025
  524   1HG2  ILE  65          HG21      ILE  65   4.173   0.661  -3.202
  525   2HG2  ILE  65          HG23      ILE  65   2.794  -0.027  -2.352
  526   3HG2  ILE  65          HG22      ILE  65   4.377   0.002  -1.578
  527   1HD1  ILE  65          HD12      ILE  65   2.064  -3.146  -3.321
  528   2HD1  ILE  65          HD11      ILE  65   1.372  -1.527  -3.412
  529   3HD1  ILE  65          HD13      ILE  65   1.371  -2.567  -4.835
  530    H    TRP  66           HN       TRP  66   6.899  -3.088  -1.960
  531    HA   TRP  66           HA       TRP  66   8.317  -0.892  -0.488
  532   1HB   TRP  66           HB2      TRP  66   6.863  -3.284   0.687
  533   2HB   TRP  66           HB1      TRP  66   7.981  -2.272   1.598
  534    HD1  TRP  66           HD1      TRP  66   7.319   0.327   1.909
  535    HE1  TRP  66           HE1      TRP  66   5.015   1.481   1.958
  536    HE3  TRP  66           HE3      TRP  66   4.460  -3.362  -0.170
  537    HZ2  TRP  66           HZ2      TRP  66   2.302   0.918   1.207
  538    HZ3  TRP  66           HZ3      TRP  66   2.017  -3.032  -0.496
  539    HH2  TRP  66           HH2      TRP  66   0.936  -0.900   0.189
  540    HA   PRO  67           HA       PRO  67  11.071  -4.284  -2.129
  541   1HB   PRO  67           HB2      PRO  67  12.964  -2.452  -3.168
  542   2HB   PRO  67           HB1      PRO  67  11.696  -3.283  -4.088
  543   1HG   PRO  67           HG2      PRO  67  11.830  -0.451  -3.307
  544   2HG   PRO  67           HG1      PRO  67  10.741  -1.229  -4.462
  545   1HD   PRO  67           HD2      PRO  67  10.106  -0.345  -1.802
  546   2HD   PRO  67           HD1      PRO  67   9.045  -1.208  -2.931
  547    H    SER  68           HN       SER  68  12.869  -1.317  -1.278
  548    HA   SER  68           HA       SER  68  14.900  -2.713   0.130
  549   1HB   SER  68           HB2      SER  68  15.854  -0.638   0.455
  550   2HB   SER  68           HB1      SER  68  14.690  -0.209  -0.799
  551    HG   SER  68           HG       SER  68  14.382   0.026   2.017
  552    H    ARG  69           HN       ARG  69  11.914  -2.949   1.151
  553    HA   ARG  69           HA       ARG  69  12.438  -2.259   4.015
  554   1HB   ARG  69           HB2      ARG  69   9.944  -2.983   2.478
  555   2HB   ARG  69           HB1      ARG  69   9.967  -2.946   4.235
  556   1HG   ARG  69           HG2      ARG  69  10.950  -0.572   2.650
  557   2HG   ARG  69           HG1      ARG  69   9.230  -0.794   2.924
  558   1HD   ARG  69           HD2      ARG  69  11.390  -0.468   5.017
  559   2HD   ARG  69           HD1      ARG  69  10.075   0.642   4.679
  560    HE   ARG  69           HE       ARG  69  10.010  -1.601   6.472
  561   1HH1  ARG  69          HH21      ARG  69   8.088  -0.076   4.043
  562   2HH1  ARG  69          HH22      ARG  69   6.625  -0.852   4.544
  563   1HH2  ARG  69          HH11      ARG  69   8.116  -2.595   7.135
  564   2HH2  ARG  69          HH12      ARG  69   6.638  -2.270   6.292
  565    H    TYR  70           HN       TYR  70  12.276  -4.922   1.814
  566    HA   TYR  70           HA       TYR  70  12.035  -6.904   4.053
  567   1HB   TYR  70           HB2      TYR  70  11.713  -7.053   1.045
  568   2HB   TYR  70           HB1      TYR  70  11.950  -8.515   1.999
  569    HD1  TYR  70           HD2      TYR  70  10.331  -9.091   3.850
  570    HD2  TYR  70           HD1      TYR  70   9.648  -5.907   1.051
  571    HE1  TYR  70           HE2      TYR  70   7.923  -9.060   4.483
  572    HE2  TYR  70           HE1      TYR  70   7.230  -5.860   1.676
  573    HH   TYR  70           HH       TYR  70   6.002  -7.812   4.354
  574    H    GLN  71           HN       GLN  71  13.789  -8.152   4.619
  575    HA   GLN  71           HA       GLN  71  16.056  -8.539   2.831
  576   1HB   GLN  71           HB2      GLN  71  16.403  -6.212   3.803
  577   2HB   GLN  71           HB1      GLN  71  16.578  -6.990   5.377
  578   1HG   GLN  71           HG2      GLN  71  18.447  -8.327   4.549
  579   2HG   GLN  71           HG1      GLN  71  18.244  -7.651   2.932
  580   1HE2  GLN  71          HE22      GLN  71  20.804  -5.415   4.078
  581   2HE2  GLN  71          HE21      GLN  71  20.539  -6.847   3.206
  582    H    ALA  72           HN       ALA  72  15.829 -10.740   3.242
  583    HA   ALA  72           HA       ALA  72  16.864 -11.675   5.833
  584   1HB   ALA  72           HB1      ALA  72  14.113 -12.495   4.844
  585   2HB   ALA  72           HB3      ALA  72  14.954 -13.208   6.219
  586   3HB   ALA  72           HB2      ALA  72  14.443 -11.522   6.276
  587    H    GLY  73           HN       GLY  73  18.531 -12.221   4.158
  588   1HA   GLY  73           HA2      GLY  73  19.640 -13.975   3.032
  589   2HA   GLY  73           HA1      GLY  73  18.220 -14.987   3.306
  590    H    GLU  74           HN       GLU  74  18.984 -15.479   0.917
  591    HA   GLU  74           HA       GLU  74  17.957 -13.489  -1.027
  592   1HB   GLU  74           HB2      GLU  74  19.278 -16.195  -1.405
  593   2HB   GLU  74           HB1      GLU  74  18.796 -15.121  -2.720
  594   1HG   GLU  74           HG2      GLU  74  20.298 -13.378  -1.891
  595   2HG   GLU  74           HG1      GLU  74  20.733 -14.381  -0.507
   
  No H/Q in entry =         595
  Start of MODEL          16
 Raw file had  612 H/Q atoms
  Start of MODEL   16
    1   1H    CYS   1           HT3      CYS   1   8.912  20.368   4.892
    2   2H    CYS   1           HT2      CYS   1   9.301  21.814   5.696
    3   3H    CYS   1           HT1      CYS   1   9.107  20.373   6.576
    4    HA   CYS   1           HA       CYS   1   6.992  20.891   6.901
    5   1HB   CYS   1           HB2      CYS   1   7.674  23.249   6.536
    6   2HB   CYS   1           HB1      CYS   1   7.391  23.050   4.805
    7    HG   CYS   1           HG       CYS   1   5.065  22.715   6.875
    8    H    SER   2           HN       SER   2   7.721  21.155   3.409
    9    HA   SER   2           HA       SER   2   5.154  19.850   2.748
   10   1HB   SER   2           HB2      SER   2   5.837  21.663   1.298
   11   2HB   SER   2           HB1      SER   2   7.418  20.929   1.047
   12    HG   SER   2           HG       SER   2   6.283  20.268  -0.674
   13    H    ASN   3           HN       ASN   3   8.165  18.814   3.697
   14    HA   ASN   3           HA       ASN   3   8.705  16.680   1.872
   15   1HB   ASN   3           HB2      ASN   3   9.330  16.934   4.829
   16   2HB   ASN   3           HB1      ASN   3  10.001  15.693   3.770
   17   1HD2  ASN   3          HD22      ASN   3  11.088  19.258   2.218
   18   2HD2  ASN   3          HD21      ASN   3   9.480  18.718   2.190
   19    H    GLU   4           HN       GLU   4   8.433  14.321   2.441
   20    HA   GLU   4           HA       GLU   4   6.203  13.655   4.235
   21   1HB   GLU   4           HB2      GLU   4   5.226  14.429   1.983
   22   2HB   GLU   4           HB1      GLU   4   5.926  12.962   1.303
   23   1HG   GLU   4           HG2      GLU   4   4.686  11.645   3.063
   24   2HG   GLU   4           HG1      GLU   4   3.882  13.142   3.534
   25    H    LYS   5           HN       LYS   5   6.207  11.316   1.927
   26    HA   LYS   5           HA       LYS   5   7.766   9.502   3.537
   27   1HB   LYS   5           HB2      LYS   5   5.789   9.032   1.861
   28   2HB   LYS   5           HB1      LYS   5   7.074   8.962   0.660
   29   1HG   LYS   5           HG2      LYS   5   6.993   6.725   1.316
   30   2HG   LYS   5           HG1      LYS   5   8.220   7.336   2.423
   31   1HD   LYS   5           HD2      LYS   5   6.428   7.703   4.136
   32   2HD   LYS   5           HD1      LYS   5   5.269   6.970   3.029
   33   1HE   LYS   5           HE2      LYS   5   6.761   4.925   2.977
   34   2HE   LYS   5           HE1      LYS   5   7.687   5.656   4.288
   35   1HZ   LYS   5           HZ1      LYS   5   4.759   5.221   4.413
   36   2HZ   LYS   5           HZ3      LYS   5   5.888   4.099   4.997
   37   3HZ   LYS   5           HZ2      LYS   5   5.799   5.649   5.686
   38    H    ALA   6           HN       ALA   6   9.709   8.304   2.665
   39    HA   ALA   6           HA       ALA   6  11.240   9.673   0.554
   40   1HB   ALA   6           HB2      ALA   6  12.211   9.598   3.426
   41   2HB   ALA   6           HB1      ALA   6  13.187  10.087   2.042
   42   3HB   ALA   6           HB3      ALA   6  11.782  11.042   2.510
   43    H    ARG   7           HN       ARG   7  10.235   7.032   0.647
   44    HA   ARG   7           HA       ARG   7  12.799   5.528   0.583
   45   1HB   ARG   7           HB2      ARG   7  10.373   4.780   2.241
   46   2HB   ARG   7           HB1      ARG   7  11.537   3.572   1.712
   47   1HG   ARG   7           HG2      ARG   7  12.588   4.062   3.689
   48   2HG   ARG   7           HG1      ARG   7  13.236   5.441   2.806
   49   1HD   ARG   7           HD2      ARG   7  11.097   6.689   3.574
   50   2HD   ARG   7           HD1      ARG   7  10.899   5.363   4.716
   51    HE   ARG   7           HE       ARG   7  13.534   6.207   5.062
   52   1HH1  ARG   7          HH21      ARG   7  10.380   7.598   5.157
   53   2HH1  ARG   7          HH22      ARG   7  10.808   8.819   6.309
   54   1HH2  ARG   7          HH11      ARG   7  14.110   7.796   6.564
   55   2HH2  ARG   7          HH12      ARG   7  12.918   8.930   7.105
   56    H    ASP   8           HN       ASP   8   9.986   3.649   0.635
   57    HA   ASP   8           HA       ASP   8  10.335   2.744  -2.081
   58   1HB   ASP   8           HB2      ASP   8   7.962   2.302  -0.256
   59   2HB   ASP   8           HB1      ASP   8   8.503   1.274  -1.590
   60    H    TRP   9           HN       TRP   9   7.348   2.452  -2.374
   61    HA   TRP   9           HA       TRP   9   6.871   4.566  -4.241
   62   1HB   TRP   9           HB2      TRP   9   4.963   2.665  -2.827
   63   2HB   TRP   9           HB1      TRP   9   4.508   3.721  -4.154
   64    HD1  TRP   9           HD1      TRP   9   7.658   1.444  -3.816
   65    HE1  TRP   9           HE1      TRP   9   7.752  -0.081  -5.879
   66    HE3  TRP   9           HE3      TRP   9   3.284   2.786  -6.100
   67    HZ2  TRP   9           HZ2      TRP   9   6.168  -0.699  -8.184
   68    HZ3  TRP   9           HZ3      TRP   9   2.586   1.692  -8.219
   69    HH2  TRP   9           HH2      TRP   9   4.024  -0.050  -9.262
   70    H    HIS  10           HN       HIS  10   6.868   6.640  -3.412
   71    HA   HIS  10           HA       HIS  10   6.171   7.511  -0.868
   72   1HB   HIS  10           HB2      HIS  10   5.850   8.866  -3.552
   73   2HB   HIS  10           HB1      HIS  10   5.498   9.695  -2.033
   74    HD1  HIS  10           HD1      HIS  10   7.453  10.927  -1.105
   75    HD2  HIS  10           HD2      HIS  10   8.663   7.637  -3.364
   76    HE1  HIS  10           HE1      HIS  10   9.985  10.931  -1.080
   77    H    ARG  11           HN       ARG  11   4.212   8.463  -0.002
   78    HA   ARG  11           HA       ARG  11   1.926   6.896  -0.134
   79   1HB   ARG  11           HB2      ARG  11   2.122   9.876   0.372
   80   2HB   ARG  11           HB1      ARG  11   0.672   8.920   0.681
   81   1HG   ARG  11           HG2      ARG  11   2.171   7.407   2.123
   82   2HG   ARG  11           HG1      ARG  11   3.373   8.694   2.019
   83   1HD   ARG  11           HD2      ARG  11   2.107   9.074   4.033
   84   2HD   ARG  11           HD1      ARG  11   1.597  10.289   2.862
   85    HE   ARG  11           HE       ARG  11  -0.179   8.171   2.499
   86   1HH1  ARG  11          HH21      ARG  11   0.895  10.174   5.091
   87   2HH1  ARG  11          HH22      ARG  11  -0.599  10.072   5.964
   88   1HH2  ARG  11          HH11      ARG  11  -2.137   8.030   3.624
   89   2HH2  ARG  11          HH12      ARG  11  -2.313   8.859   5.133
   90    H    ALA  12           HN       ALA  12   2.865   9.442  -2.378
   91    HA   ALA  12           HA       ALA  12   0.239   9.415  -3.716
   92   1HB   ALA  12           HB1      ALA  12   1.658  11.479  -3.555
   93   2HB   ALA  12           HB3      ALA  12   2.822  10.706  -4.631
   94   3HB   ALA  12           HB2      ALA  12   1.193  11.062  -5.204
   95    H    ASP  13           HN       ASP  13   3.404   7.935  -4.112
   96    HA   ASP  13           HA       ASP  13   2.983   7.059  -6.834
   97   1HB   ASP  13           HB2      ASP  13   4.765   5.998  -4.638
   98   2HB   ASP  13           HB1      ASP  13   4.812   5.417  -6.302
   99    H    VAL  14           HN       VAL  14   1.877   6.046  -3.749
  100    HA   VAL  14           HA       VAL  14   1.152   3.331  -4.543
  101    HB   VAL  14           HB       VAL  14   0.447   5.083  -2.171
  102   1HG1  VAL  14          HG12      VAL  14  -0.417   2.262  -2.839
  103   2HG1  VAL  14          HG11      VAL  14  -0.420   2.890  -1.191
  104   3HG1  VAL  14          HG13      VAL  14  -1.440   3.639  -2.421
  105   1HG2  VAL  14          HG21      VAL  14   2.218   2.646  -2.531
  106   2HG2  VAL  14          HG23      VAL  14   2.749   4.293  -2.195
  107   3HG2  VAL  14          HG22      VAL  14   1.854   3.389  -0.974
  108    H    ILE  15           HN       ILE  15  -0.771   6.235  -3.686
  109    HA   ILE  15           HA       ILE  15  -3.186   5.107  -4.839
  110    HB   ILE  15           HB       ILE  15  -2.622   7.996  -4.113
  111   1HG1  ILE  15          HG12      ILE  15  -3.955   5.886  -2.391
  112   2HG1  ILE  15          HG11      ILE  15  -2.229   6.216  -2.286
  113   1HG2  ILE  15          HG21      ILE  15  -4.631   7.613  -5.509
  114   2HG2  ILE  15          HG23      ILE  15  -5.199   6.412  -4.351
  115   3HG2  ILE  15          HG22      ILE  15  -5.076   8.105  -3.879
  116   1HD1  ILE  15          HD11      ILE  15  -2.900   8.680  -1.935
  117   2HD1  ILE  15          HD13      ILE  15  -4.522   8.059  -1.629
  118   3HD1  ILE  15          HD12      ILE  15  -3.179   7.563  -0.602
  119    H    ALA  16           HN       ALA  16  -0.982   7.755  -5.880
  120    HA   ALA  16           HA       ALA  16  -2.356   8.358  -8.284
  121   1HB   ALA  16           HB2      ALA  16  -0.308   9.546  -7.224
  122   2HB   ALA  16           HB1      ALA  16   0.655   8.379  -8.130
  123   3HB   ALA  16           HB3      ALA  16  -0.413   9.492  -8.983
  124    H    GLY  17           HN       GLY  17   0.254   6.011  -7.709
  125   1HA   GLY  17           HA2      GLY  17   0.394   5.034 -10.387
  126   2HA   GLY  17           HA1      GLY  17   0.965   4.175  -8.961
  127    H    LEU  18           HN       LEU  18  -1.222   3.587  -7.535
  128    HA   LEU  18           HA       LEU  18  -2.454   1.464  -9.009
  129   1HB   LEU  18           HB2      LEU  18  -3.100   2.796  -6.372
  130   2HB   LEU  18           HB1      LEU  18  -4.027   1.430  -6.976
  131    HG   LEU  18           HG       LEU  18  -1.020   1.301  -6.719
  132   1HD1  LEU  18          HD12      LEU  18  -1.996   1.887  -4.511
  133   2HD1  LEU  18          HD11      LEU  18  -3.090   0.515  -4.645
  134   3HD1  LEU  18          HD13      LEU  18  -1.350   0.246  -4.518
  135   1HD2  LEU  18          HD23      LEU  18  -3.261  -0.722  -6.967
  136   2HD2  LEU  18          HD22      LEU  18  -1.863  -0.515  -8.014
  137   3HD2  LEU  18          HD21      LEU  18  -1.660  -1.174  -6.396
  138    H    LYS  19           HN       LYS  19  -3.617   4.677  -8.077
  139    HA   LYS  19           HA       LYS  19  -6.288   4.371  -9.027
  140   1HB   LYS  19           HB2      LYS  19  -5.506   6.173  -7.490
  141   2HB   LYS  19           HB1      LYS  19  -4.692   6.936  -8.854
  142   1HG   LYS  19           HG2      LYS  19  -6.767   7.295 -10.011
  143   2HG   LYS  19           HG1      LYS  19  -7.647   6.273  -8.876
  144   1HD   LYS  19           HD2      LYS  19  -8.168   8.457  -8.161
  145   2HD   LYS  19           HD1      LYS  19  -6.879   7.971  -7.064
  146   1HE   LYS  19           HE2      LYS  19  -5.229   9.165  -8.426
  147   2HE   LYS  19           HE1      LYS  19  -6.477   9.590  -9.598
  148   1HZ   LYS  19           HZ3      LYS  19  -7.636  10.562  -7.495
  149   2HZ   LYS  19           HZ2      LYS  19  -6.052  10.609  -6.881
  150   3HZ   LYS  19           HZ1      LYS  19  -6.439  11.451  -8.304
  151    H    LYS  20           HN       LYS  20  -3.362   4.750 -10.813
  152    HA   LYS  20           HA       LYS  20  -4.295   6.218 -13.039
  153   1HB   LYS  20           HB2      LYS  20  -2.161   4.143 -12.672
  154   2HB   LYS  20           HB1      LYS  20  -2.644   4.518 -14.325
  155   1HG   LYS  20           HG2      LYS  20  -2.097   6.845 -14.041
  156   2HG   LYS  20           HG1      LYS  20  -1.857   6.636 -12.308
  157   1HD   LYS  20           HD2      LYS  20   0.286   6.736 -13.615
  158   2HD   LYS  20           HD1      LYS  20   0.097   5.255 -12.683
  159   1HE   LYS  20           HE2      LYS  20  -0.822   5.359 -15.550
  160   2HE   LYS  20           HE1      LYS  20   0.876   5.081 -15.169
  161   1HZ   LYS  20           HZ3      LYS  20  -0.447   3.421 -13.473
  162   2HZ   LYS  20           HZ2      LYS  20  -1.359   3.313 -14.902
  163   3HZ   LYS  20           HZ1      LYS  20   0.304   2.963 -14.924
  164    H    ARG  21           HN       ARG  21  -5.034   3.023 -11.987
  165    HA   ARG  21           HA       ARG  21  -6.479   2.437 -14.525
  166   1HB   ARG  21           HB2      ARG  21  -5.849   0.807 -12.038
  167   2HB   ARG  21           HB1      ARG  21  -6.971   0.253 -13.281
  168   1HG   ARG  21           HG2      ARG  21  -5.115   0.594 -14.975
  169   2HG   ARG  21           HG1      ARG  21  -4.025   0.865 -13.613
  170   1HD   ARG  21           HD2      ARG  21  -3.900  -1.476 -14.287
  171   2HD   ARG  21           HD1      ARG  21  -4.669  -1.371 -12.701
  172    HE   ARG  21           HE       ARG  21  -6.793  -1.313 -14.490
  173   1HH1  ARG  21          HH21      ARG  21  -4.066  -3.337 -13.896
  174   2HH1  ARG  21          HH22      ARG  21  -4.860  -4.786 -14.422
  175   1HH2  ARG  21          HH11      ARG  21  -7.844  -3.190 -15.184
  176   2HH2  ARG  21          HH12      ARG  21  -6.997  -4.702 -15.153
  177    H    LYS  22           HN       LYS  22  -7.614   1.304 -11.446
  178    HA   LYS  22           HA       LYS  22  -9.492   3.511 -11.101
  179   1HB   LYS  22           HB2      LYS  22 -11.484   1.853 -11.169
  180   2HB   LYS  22           HB1      LYS  22 -10.826   2.392 -12.715
  181   1HG   LYS  22           HG2      LYS  22  -9.519   0.352 -12.930
  182   2HG   LYS  22           HG1      LYS  22 -10.011  -0.172 -11.320
  183   1HD   LYS  22           HD2      LYS  22 -12.377  -0.220 -12.077
  184   2HD   LYS  22           HD1      LYS  22 -11.850   0.239 -13.697
  185   1HE   LYS  22           HE2      LYS  22 -11.255  -2.318 -12.203
  186   2HE   LYS  22           HE1      LYS  22 -12.044  -2.131 -13.769
  187   1HZ   LYS  22           HZ1      LYS  22  -9.864  -1.095 -14.504
  188   2HZ   LYS  22           HZ3      LYS  22  -9.192  -1.753 -13.093
  189   3HZ   LYS  22           HZ2      LYS  22  -9.875  -2.777 -14.263
  190    H    LEU  23           HN       LEU  23  -7.804   3.086  -9.208
  191    HA   LEU  23           HA       LEU  23  -9.232   1.423  -7.152
  192   1HB   LEU  23           HB2      LEU  23  -6.241   1.703  -7.405
  193   2HB   LEU  23           HB1      LEU  23  -7.097   0.712  -6.237
  194    HG   LEU  23           HG       LEU  23  -7.267   0.303  -9.237
  195   1HD1  LEU  23          HD12      LEU  23  -5.547  -1.048  -7.141
  196   2HD1  LEU  23          HD11      LEU  23  -5.743  -1.628  -8.797
  197   3HD1  LEU  23          HD13      LEU  23  -4.976  -0.069  -8.495
  198   1HD2  LEU  23          HD22      LEU  23  -8.149  -1.294  -6.817
  199   2HD2  LEU  23          HD21      LEU  23  -9.160  -0.686  -8.127
  200   3HD2  LEU  23          HD23      LEU  23  -8.023  -1.999  -8.425
  201    H    SER  24           HN       SER  24  -9.271   2.302  -5.094
  202    HA   SER  24           HA       SER  24  -7.721   4.739  -4.491
  203   1HB   SER  24           HB2      SER  24  -9.934   5.849  -3.730
  204   2HB   SER  24           HB1      SER  24  -9.575   5.845  -5.456
  205    HG   SER  24           HG       SER  24 -11.745   5.126  -4.780
  206    H    LEU  25           HN       LEU  25  -7.039   4.498  -2.389
  207    HA   LEU  25           HA       LEU  25  -7.567   2.337  -0.743
  208   1HB   LEU  25           HB2      LEU  25  -7.184   5.163   0.281
  209   2HB   LEU  25           HB1      LEU  25  -6.843   3.675   1.165
  210    HG   LEU  25           HG       LEU  25  -5.496   4.352  -1.463
  211   1HD1  LEU  25          HD11      LEU  25  -5.040   6.111   0.249
  212   2HD1  LEU  25          HD13      LEU  25  -4.464   4.854   1.346
  213   3HD1  LEU  25          HD12      LEU  25  -3.599   5.176  -0.157
  214   1HD2  LEU  25          HD23      LEU  25  -4.988   2.363   0.772
  215   2HD2  LEU  25          HD22      LEU  25  -5.275   2.026  -0.938
  216   3HD2  LEU  25          HD21      LEU  25  -3.763   2.771  -0.424
  217    H    SER  26           HN       SER  26  -9.736   4.978  -1.383
  218    HA   SER  26           HA       SER  26 -11.384   4.537   0.974
  219   1HB   SER  26           HB2      SER  26 -12.058   5.920  -1.637
  220   2HB   SER  26           HB1      SER  26 -13.001   6.011  -0.152
  221    HG   SER  26           HG       SER  26 -10.566   6.601   0.545
  222    H    ALA  27           HN       ALA  27 -11.467   3.480  -2.408
  223    HA   ALA  27           HA       ALA  27 -13.980   2.047  -2.089
  224   1HB   ALA  27           HB3      ALA  27 -13.121   2.967  -4.272
  225   2HB   ALA  27           HB2      ALA  27 -11.890   1.703  -4.255
  226   3HB   ALA  27           HB1      ALA  27 -13.597   1.270  -4.345
  227    H    LEU  28           HN       LEU  28 -10.540   1.050  -2.268
  228    HA   LEU  28           HA       LEU  28 -11.045  -1.749  -2.062
  229   1HB   LEU  28           HB2      LEU  28  -8.667  -0.024  -1.355
  230   2HB   LEU  28           HB1      LEU  28  -8.655  -1.764  -1.079
  231    HG   LEU  28           HG       LEU  28  -9.155  -2.164  -3.445
  232   1HD1  LEU  28          HD13      LEU  28  -9.228   0.848  -3.526
  233   2HD1  LEU  28          HD12      LEU  28  -8.887  -0.089  -4.974
  234   3HD1  LEU  28          HD11      LEU  28 -10.420  -0.295  -4.139
  235   1HD2  LEU  28          HD21      LEU  28  -6.792  -1.964  -2.675
  236   2HD2  LEU  28          HD23      LEU  28  -6.990  -1.458  -4.353
  237   3HD2  LEU  28          HD22      LEU  28  -6.829  -0.248  -3.081
  238    H    SER  29           HN       SER  29 -10.977   0.793   0.316
  239    HA   SER  29           HA       SER  29 -10.664  -0.865   2.641
  240   1HB   SER  29           HB2      SER  29 -11.946   1.854   2.278
  241   2HB   SER  29           HB1      SER  29 -11.677   1.095   3.844
  242    HG   SER  29           HG       SER  29  -9.416   0.883   2.573
  243    H    ARG  30           HN       ARG  30 -13.656   0.707   1.368
  244    HA   ARG  30           HA       ARG  30 -15.358  -0.863   3.082
  245   1HB   ARG  30           HB2      ARG  30 -17.211   0.000   1.614
  246   2HB   ARG  30           HB1      ARG  30 -16.179   1.256   2.295
  247   1HG   ARG  30           HG2      ARG  30 -14.919   1.399   0.205
  248   2HG   ARG  30           HG1      ARG  30 -15.863   0.079  -0.482
  249   1HD   ARG  30           HD2      ARG  30 -17.762   1.396  -0.753
  250   2HD   ARG  30           HD1      ARG  30 -17.336   2.477   0.575
  251    HE   ARG  30           HE       ARG  30 -15.367   2.953  -1.309
  252   1HH1  ARG  30          HH21      ARG  30 -18.812   2.866  -1.263
  253   2HH1  ARG  30          HH22      ARG  30 -18.993   4.087  -2.479
  254   1HH2  ARG  30          HH11      ARG  30 -15.580   4.547  -2.893
  255   2HH2  ARG  30          HH12      ARG  30 -17.160   5.037  -3.404
  256    H    GLN  31           HN       GLN  31 -13.835  -1.614   0.089
  257    HA   GLN  31           HA       GLN  31 -15.796  -3.441  -0.942
  258   1HB   GLN  31           HB2      GLN  31 -12.852  -3.008  -1.352
  259   2HB   GLN  31           HB1      GLN  31 -13.563  -4.500  -1.958
  260   1HG   GLN  31           HG2      GLN  31 -15.133  -3.285  -3.328
  261   2HG   GLN  31           HG1      GLN  31 -14.658  -1.749  -2.602
  262   1HE2  GLN  31          HE22      GLN  31 -11.981  -1.290  -4.840
  263   2HE2  GLN  31          HE21      GLN  31 -13.018  -0.615  -3.678
  264    H    PHE  32           HN       PHE  32 -13.391  -3.704   1.589
  265    HA   PHE  32           HA       PHE  32 -14.019  -6.626   1.896
  266   1HB   PHE  32           HB2      PHE  32 -11.649  -4.942   2.751
  267   2HB   PHE  32           HB1      PHE  32 -11.948  -6.555   3.405
  268    HD1  PHE  32           HD1      PHE  32 -11.207  -4.632   0.316
  269    HD2  PHE  32           HD2      PHE  32 -11.660  -8.547   2.065
  270    HE1  PHE  32           HE1      PHE  32 -10.244  -5.665  -1.736
  271    HE2  PHE  32           HE2      PHE  32 -10.693  -9.574   0.018
  272    HZ   PHE  32           HZ       PHE  32  -9.989  -8.135  -1.884
  273    H    GLY  33           HN       GLY  33 -14.123  -3.488   3.491
  274   1HA   GLY  33           HA2      GLY  33 -16.075  -3.355   5.128
  275   2HA   GLY  33           HA1      GLY  33 -15.388  -4.789   5.881
  276    H    TYR  34           HN       TYR  34 -12.672  -4.148   5.939
  277    HA   TYR  34           HA       TYR  34 -12.385  -2.680   8.275
  278   1HB   TYR  34           HB2      TYR  34 -10.314  -2.524   6.079
  279   2HB   TYR  34           HB1      TYR  34 -10.058  -2.506   7.821
  280    HD1  TYR  34           HD2      TYR  34 -11.448  -4.665   8.983
  281    HD2  TYR  34           HD1      TYR  34  -9.590  -4.517   5.098
  282    HE1  TYR  34           HE2      TYR  34 -11.254  -7.142   8.982
  283    HE2  TYR  34           HE1      TYR  34  -9.398  -6.991   5.100
  284    HH   TYR  34           HH       TYR  34  -9.408  -8.840   7.520
  285    H    ALA  35           HN       ALA  35 -12.763  -0.610   8.793
  286    HA   ALA  35           HA       ALA  35 -13.750   1.347   7.082
  287   1HB   ALA  35           HB1      ALA  35 -12.653   1.258   9.808
  288   2HB   ALA  35           HB3      ALA  35 -12.424   2.834   9.051
  289   3HB   ALA  35           HB2      ALA  35 -14.044   2.157   9.206
  290    HA   PRO  36           HA       PRO  36 -10.420   2.961   4.693
  291   1HB   PRO  36           HB2      PRO  36 -10.742   5.759   5.345
  292   2HB   PRO  36           HB1      PRO  36 -11.332   4.911   3.908
  293   1HG   PRO  36           HG2      PRO  36 -12.872   5.837   6.213
  294   2HG   PRO  36           HG1      PRO  36 -13.471   5.155   4.694
  295   1HD   PRO  36           HD2      PRO  36 -13.459   3.867   7.244
  296   2HD   PRO  36           HD1      PRO  36 -13.843   3.124   5.676
  297    H    THR  37           HN       THR  37 -10.724   4.000   8.044
  298    HA   THR  37           HA       THR  37  -8.160   5.171   8.401
  299    HB   THR  37           HB       THR  37  -8.450   4.674  10.780
  300    HG1  THR  37           HG1      THR  37 -10.377   3.380  11.287
  301   1HG2  THR  37          HG23      THR  37 -11.085   5.306   9.423
  302   2HG2  THR  37          HG22      THR  37 -10.696   5.646  11.110
  303   3HG2  THR  37          HG21      THR  37  -9.824   6.474   9.821
  304    H    THR  38           HN       THR  38  -9.196   1.785   8.870
  305    HA   THR  38           HA       THR  38  -6.684   0.709   9.580
  306    HB   THR  38           HB       THR  38  -9.062  -0.449   8.118
  307    HG1  THR  38           HG1      THR  38  -9.643  -0.540  10.121
  308   1HG2  THR  38          HG21      THR  38  -6.413  -1.731   8.752
  309   2HG2  THR  38          HG23      THR  38  -7.893  -2.691   8.774
  310   3HG2  THR  38          HG22      THR  38  -7.396  -1.874   7.293
  311    H    LEU  39           HN       LEU  39  -8.126   0.385   6.314
  312    HA   LEU  39           HA       LEU  39  -5.806  -0.408   4.984
  313   1HB   LEU  39           HB2      LEU  39  -8.179  -0.232   4.051
  314   2HB   LEU  39           HB1      LEU  39  -7.835   1.471   3.767
  315    HG   LEU  39           HG       LEU  39  -5.801   0.758   2.452
  316   1HD1  LEU  39          HD11      LEU  39  -6.967  -1.945   3.077
  317   2HD1  LEU  39          HD13      LEU  39  -6.185  -1.703   1.516
  318   3HD1  LEU  39          HD12      LEU  39  -5.276  -1.451   3.002
  319   1HD2  LEU  39          HD23      LEU  39  -7.901   1.443   1.391
  320   2HD2  LEU  39          HD22      LEU  39  -7.111   0.180   0.451
  321   3HD2  LEU  39          HD21      LEU  39  -8.496  -0.213   1.471
  322    H    ALA  40           HN       ALA  40  -6.952   2.946   5.460
  323    HA   ALA  40           HA       ALA  40  -4.837   4.257   4.118
  324   1HB   ALA  40           HB3      ALA  40  -6.317   5.145   6.617
  325   2HB   ALA  40           HB2      ALA  40  -5.343   6.193   5.587
  326   3HB   ALA  40           HB1      ALA  40  -6.815   5.458   4.954
  327    H    ASN  41           HN       ASN  41  -5.074   3.934   7.664
  328    HA   ASN  41           HA       ASN  41  -2.375   4.560   8.211
  329   1HB   ASN  41           HB2      ASN  41  -4.336   4.358   9.855
  330   2HB   ASN  41           HB1      ASN  41  -4.006   2.623   9.863
  331   1HD2  ASN  41          HD22      ASN  41  -0.479   4.039  10.918
  332   2HD2  ASN  41          HD21      ASN  41  -1.020   3.819   9.324
  333    H    ALA  42           HN       ALA  42  -3.537   1.842   6.579
  334    HA   ALA  42           HA       ALA  42  -1.690  -0.116   7.607
  335   1HB   ALA  42           HB3      ALA  42  -3.843  -0.530   6.241
  336   2HB   ALA  42           HB2      ALA  42  -2.845  -0.191   4.828
  337   3HB   ALA  42           HB1      ALA  42  -2.443  -1.540   5.888
  338    H    LEU  43           HN       LEU  43  -0.765   2.634   6.529
  339    HA   LEU  43           HA       LEU  43   1.055   1.806   4.361
  340   1HB   LEU  43           HB2      LEU  43   0.439   4.442   5.692
  341   2HB   LEU  43           HB1      LEU  43   1.755   4.271   4.531
  342    HG   LEU  43           HG       LEU  43  -1.043   3.339   3.852
  343   1HD1  LEU  43          HD12      LEU  43   0.096   6.126   3.498
  344   2HD1  LEU  43          HD11      LEU  43  -1.407   5.550   2.778
  345   3HD1  LEU  43          HD13      LEU  43  -1.263   5.678   4.530
  346   1HD2  LEU  43          HD23      LEU  43   1.410   4.169   2.267
  347   2HD2  LEU  43          HD22      LEU  43   0.608   2.601   2.269
  348   3HD2  LEU  43          HD21      LEU  43  -0.179   3.989   1.529
  349    H    GLU  44           HN       GLU  44   1.303   2.830   7.784
  350    HA   GLU  44           HA       GLU  44   4.154   1.876   7.720
  351   1HB   GLU  44           HB2      GLU  44   4.680   3.737   9.327
  352   2HB   GLU  44           HB1      GLU  44   4.277   4.275   7.696
  353   1HG   GLU  44           HG2      GLU  44   2.021   4.836   8.370
  354   2HG   GLU  44           HG1      GLU  44   2.274   4.125   9.965
  355    H    ARG  45           HN       ARG  45   1.136   1.544   9.204
  356    HA   ARG  45           HA       ARG  45   2.129   1.042  11.901
  357   1HB   ARG  45           HB2      ARG  45  -0.083   1.236  12.402
  358   2HB   ARG  45           HB1      ARG  45  -0.385   1.495  10.691
  359   1HG   ARG  45           HG2      ARG  45  -0.453  -1.160  12.154
  360   2HG   ARG  45           HG1      ARG  45  -1.832  -0.259  11.545
  361   1HD   ARG  45           HD2      ARG  45  -0.168  -2.150  10.134
  362   2HD   ARG  45           HD1      ARG  45  -1.630  -1.348   9.562
  363    HE   ARG  45           HE       ARG  45   0.283   0.585   9.226
  364   1HH1  ARG  45          HH21      ARG  45   0.006  -2.759   8.422
  365   2HH1  ARG  45          HH22      ARG  45   0.987  -2.637   7.000
  366   1HH2  ARG  45          HH11      ARG  45   1.573   0.757   7.375
  367   2HH2  ARG  45          HH12      ARG  45   1.870  -0.645   6.403
  368    H    HIS  46           HN       HIS  46   1.474  -1.324  12.845
  369    HA   HIS  46           HA       HIS  46   3.057  -3.218  11.202
  370   1HB   HIS  46           HB2      HIS  46   1.926  -3.498  14.002
  371   2HB   HIS  46           HB1      HIS  46   3.062  -4.607  13.225
  372    HD1  HIS  46           HD1      HIS  46   3.315  -0.871  12.832
  373    HD2  HIS  46           HD2      HIS  46   5.251  -3.933  14.890
  374    HE1  HIS  46           HE1      HIS  46   5.431   0.140  13.788
  375    H    TRP  47           HN       TRP  47   1.582  -3.890   9.549
  376    HA   TRP  47           HA       TRP  47  -0.209  -6.031  10.310
  377   1HB   TRP  47           HB2      TRP  47  -1.639  -3.995  10.780
  378   2HB   TRP  47           HB1      TRP  47  -1.519  -3.601   9.068
  379    HD1  TRP  47           HD1      TRP  47  -2.152  -7.086  10.671
  380    HE1  TRP  47           HE1      TRP  47  -4.299  -8.034   9.632
  381    HE3  TRP  47           HE3      TRP  47  -3.594  -3.085   7.809
  382    HZ2  TRP  47           HZ2      TRP  47  -6.373  -7.223   7.835
  383    HZ3  TRP  47           HZ3      TRP  47  -5.672  -3.205   6.453
  384    HH2  TRP  47           HH2      TRP  47  -7.064  -5.265   6.467
  385    HA   PRO  48           HA       PRO  48   1.864  -5.979   6.116
  386   1HB   PRO  48           HB2      PRO  48   2.279  -8.845   6.609
  387   2HB   PRO  48           HB1      PRO  48   3.482  -7.580   6.305
  388   1HG   PRO  48           HG2      PRO  48   2.989  -8.832   8.800
  389   2HG   PRO  48           HG1      PRO  48   3.947  -7.363   8.545
  390   1HD   PRO  48           HD2      PRO  48   1.282  -7.626   9.741
  391   2HD   PRO  48           HD1      PRO  48   2.350  -6.198   9.720
  392    H    LYS  49           HN       LYS  49  -0.780  -7.746   7.554
  393    HA   LYS  49           HA       LYS  49  -1.534  -9.181   5.149
  394   1HB   LYS  49           HB2      LYS  49  -2.349  -9.959   7.302
  395   2HB   LYS  49           HB1      LYS  49  -3.134  -8.414   7.609
  396   1HG   LYS  49           HG2      LYS  49  -4.731 -10.166   6.843
  397   2HG   LYS  49           HG1      LYS  49  -4.680  -8.784   5.752
  398   1HD   LYS  49           HD2      LYS  49  -3.483  -9.957   4.105
  399   2HD   LYS  49           HD1      LYS  49  -2.885 -11.155   5.252
  400   1HE   LYS  49           HE2      LYS  49  -4.706 -11.998   3.708
  401   2HE   LYS  49           HE1      LYS  49  -5.056 -12.185   5.427
  402   1HZ   LYS  49           HZ3      LYS  49  -6.274 -10.041   5.292
  403   2HZ   LYS  49           HZ2      LYS  49  -6.074 -10.076   3.606
  404   3HZ   LYS  49           HZ1      LYS  49  -6.974 -11.289   4.383
  405    H    GLY  50           HN       GLY  50  -1.980  -5.926   6.305
  406   1HA   GLY  50           HA2      GLY  50  -4.201  -5.290   4.525
  407   2HA   GLY  50           HA1      GLY  50  -3.216  -4.116   5.404
  408    H    GLU  51           HN       GLU  51  -0.748  -5.493   4.279
  409    HA   GLU  51           HA       GLU  51  -0.438  -3.794   1.954
  410   1HB   GLU  51           HB2      GLU  51   1.238  -5.979   3.213
  411   2HB   GLU  51           HB1      GLU  51   1.714  -5.208   1.703
  412   1HG   GLU  51           HG2      GLU  51   2.709  -4.182   3.802
  413   2HG   GLU  51           HG1      GLU  51   1.864  -3.058   2.742
  414    H    GLN  52           HN       GLN  52  -1.073  -7.216   2.543
  415    HA   GLN  52           HA       GLN  52  -0.837  -8.131  -0.151
  416   1HB   GLN  52           HB2      GLN  52  -2.638  -9.136   2.077
  417   2HB   GLN  52           HB1      GLN  52  -2.266 -10.017   0.593
  418   1HG   GLN  52           HG2      GLN  52   0.144  -9.953   1.175
  419   2HG   GLN  52           HG1      GLN  52  -0.255  -9.128   2.681
  420   1HE2  GLN  52          HE22      GLN  52  -2.299 -12.403   3.265
  421   2HE2  GLN  52          HE21      GLN  52  -2.854 -10.950   2.584
  422    H    ILE  53           HN       ILE  53  -3.521  -6.626   1.631
  423    HA   ILE  53           HA       ILE  53  -5.586  -7.045  -0.267
  424    HB   ILE  53           HB       ILE  53  -5.062  -4.665   1.549
  425   1HG1  ILE  53          HG12      ILE  53  -7.024  -6.973   1.799
  426   2HG1  ILE  53          HG11      ILE  53  -5.448  -6.939   2.587
  427   1HG2  ILE  53          HG22      ILE  53  -7.471  -5.381  -0.148
  428   2HG2  ILE  53          HG21      ILE  53  -7.544  -4.241   1.191
  429   3HG2  ILE  53          HG23      ILE  53  -6.527  -3.893  -0.204
  430   1HD1  ILE  53          HD11      ILE  53  -6.324  -4.584   3.493
  431   2HD1  ILE  53          HD13      ILE  53  -7.902  -5.311   3.188
  432   3HD1  ILE  53          HD12      ILE  53  -6.777  -6.084   4.295
  433    H    ILE  54           HN       ILE  54  -3.463  -4.170   0.030
  434    HA   ILE  54           HA       ILE  54  -4.288  -3.001  -2.445
  435    HB   ILE  54           HB       ILE  54  -1.795  -2.673  -0.760
  436   1HG1  ILE  54          HG12      ILE  54  -4.180  -0.869  -1.269
  437   2HG1  ILE  54          HG11      ILE  54  -4.033  -1.942   0.121
  438   1HG2  ILE  54          HG21      ILE  54  -2.615  -1.333  -3.338
  439   2HG2  ILE  54          HG23      ILE  54  -1.567  -0.516  -2.179
  440   3HG2  ILE  54          HG22      ILE  54  -1.053  -2.028  -2.919
  441   1HD1  ILE  54          HD11      ILE  54  -1.672  -0.636   0.363
  442   2HD1  ILE  54          HD13      ILE  54  -2.603   0.624  -0.448
  443   3HD1  ILE  54          HD12      ILE  54  -3.158  -0.032   1.089
  444    H    ALA  55           HN       ALA  55  -1.330  -4.892  -1.688
  445    HA   ALA  55           HA       ALA  55  -0.249  -4.876  -4.295
  446   1HB   ALA  55           HB2      ALA  55   0.728  -5.809  -2.069
  447   2HB   ALA  55           HB1      ALA  55  -0.068  -7.314  -2.527
  448   3HB   ALA  55           HB3      ALA  55   1.164  -6.613  -3.577
  449    H    ASN  56           HN       ASN  56  -2.697  -7.014  -2.876
  450    HA   ASN  56           HA       ASN  56  -2.861  -8.916  -4.971
  451   1HB   ASN  56           HB2      ASN  56  -4.057  -9.165  -2.817
  452   2HB   ASN  56           HB1      ASN  56  -5.133  -7.840  -3.269
  453   1HD2  ASN  56          HD22      ASN  56  -7.284 -10.112  -4.880
  454   2HD2  ASN  56          HD21      ASN  56  -7.111  -8.760  -3.869
  455    H    ALA  57           HN       ALA  57  -4.203  -5.661  -4.707
  456    HA   ALA  57           HA       ALA  57  -6.001  -5.799  -6.907
  457   1HB   ALA  57           HB3      ALA  57  -5.694  -3.915  -5.165
  458   2HB   ALA  57           HB2      ALA  57  -4.419  -3.321  -6.231
  459   3HB   ALA  57           HB1      ALA  57  -6.077  -3.439  -6.819
  460    H    LEU  58           HN       LEU  58  -2.509  -5.328  -6.805
  461    HA   LEU  58           HA       LEU  58  -2.409  -4.752  -9.705
  462   1HB   LEU  58           HB2      LEU  58  -0.343  -4.953  -7.505
  463   2HB   LEU  58           HB1      LEU  58   0.130  -4.848  -9.196
  464    HG   LEU  58           HG       LEU  58  -1.788  -2.841  -8.010
  465   1HD1  LEU  58          HD12      LEU  58   1.242  -2.846  -7.875
  466   2HD1  LEU  58          HD11      LEU  58   0.281  -1.384  -7.666
  467   3HD1  LEU  58          HD13      LEU  58   0.108  -2.720  -6.530
  468   1HD2  LEU  58          HD23      LEU  58   0.139  -2.869 -10.361
  469   2HD2  LEU  58          HD22      LEU  58  -1.615  -2.716 -10.412
  470   3HD2  LEU  58          HD21      LEU  58  -0.637  -1.397  -9.784
  471    H    GLU  59           HN       GLU  59  -2.936  -7.470  -7.995
  472    HA   GLU  59           HA       GLU  59  -2.584  -9.752  -8.415
  473   1HB   GLU  59           HB2      GLU  59  -3.347  -8.786 -10.731
  474   2HB   GLU  59           HB1      GLU  59  -1.658  -8.986 -11.190
  475   1HG   GLU  59           HG2      GLU  59  -1.780 -11.380 -10.551
  476   2HG   GLU  59           HG1      GLU  59  -3.478 -11.170 -10.127
  477    H    THR  60           HN       THR  60  -0.280  -7.758  -7.769
  478    HA   THR  60           HA       THR  60   2.000  -9.530  -8.596
  479    HB   THR  60           HB       THR  60   1.990  -7.042  -9.262
  480    HG1  THR  60           HG1      THR  60   3.843  -8.641  -8.802
  481   1HG2  THR  60          HG22      THR  60   1.274  -6.472  -6.761
  482   2HG2  THR  60          HG21      THR  60   3.017  -6.510  -6.495
  483   3HG2  THR  60          HG23      THR  60   2.328  -5.383  -7.664
  484    H    LYS  61           HN       LYS  61   3.823  -8.569  -6.669
  485    HA   LYS  61           HA       LYS  61   2.704  -9.812  -4.198
  486   1HB   LYS  61           HB2      LYS  61   5.584  -9.460  -5.077
  487   2HB   LYS  61           HB1      LYS  61   5.051 -10.303  -3.621
  488   1HG   LYS  61           HG2      LYS  61   4.129 -12.087  -4.822
  489   2HG   LYS  61           HG1      LYS  61   3.969 -11.154  -6.304
  490   1HD   LYS  61           HD2      LYS  61   6.739 -11.613  -5.226
  491   2HD   LYS  61           HD1      LYS  61   5.922 -12.964  -6.004
  492   1HE   LYS  61           HE2      LYS  61   7.199 -11.819  -7.697
  493   2HE   LYS  61           HE1      LYS  61   5.502 -11.458  -7.997
  494   1HZ   LYS  61           HZ2      LYS  61   7.300  -9.700  -6.421
  495   2HZ   LYS  61           HZ1      LYS  61   7.026  -9.507  -8.086
  496   3HZ   LYS  61           HZ3      LYS  61   5.742  -9.338  -6.992
  497    HA   PRO  62           HA       PRO  62   3.047  -5.814  -2.267
  498   1HB   PRO  62           HB2      PRO  62   3.757  -6.701   0.349
  499   2HB   PRO  62           HB1      PRO  62   2.122  -6.403  -0.255
  500   1HG   PRO  62           HG2      PRO  62   3.461  -8.989   0.229
  501   2HG   PRO  62           HG1      PRO  62   1.738  -8.654   0.004
  502   1HD   PRO  62           HD2      PRO  62   3.457  -9.866  -1.903
  503   2HD   PRO  62           HD1      PRO  62   1.826  -9.224  -2.213
  504    H    GLU  63           HN       GLU  63   5.606  -8.173  -2.130
  505    HA   GLU  63           HA       GLU  63   7.678  -6.579  -0.979
  506   1HB   GLU  63           HB2      GLU  63   8.099  -8.636  -3.152
  507   2HB   GLU  63           HB1      GLU  63   9.188  -8.206  -1.832
  508   1HG   GLU  63           HG2      GLU  63   7.320  -9.001  -0.251
  509   2HG   GLU  63           HG1      GLU  63   6.581  -9.729  -1.679
  510    H    VAL  64           HN       VAL  64   5.969  -6.095  -3.845
  511    HA   VAL  64           HA       VAL  64   8.243  -4.921  -5.343
  512    HB   VAL  64           HB       VAL  64   5.304  -5.004  -6.078
  513   1HG1  VAL  64          HG13      VAL  64   7.826  -4.593  -7.712
  514   2HG1  VAL  64          HG12      VAL  64   6.194  -4.708  -8.372
  515   3HG1  VAL  64          HG11      VAL  64   6.629  -3.356  -7.326
  516   1HG2  VAL  64          HG22      VAL  64   6.216  -7.278  -5.716
  517   2HG2  VAL  64          HG21      VAL  64   5.889  -6.980  -7.422
  518   3HG2  VAL  64          HG23      VAL  64   7.544  -6.914  -6.817
  519    H    ILE  65           HN       ILE  65   5.376  -3.848  -3.557
  520    HA   ILE  65           HA       ILE  65   5.777  -1.058  -4.419
  521    HB   ILE  65           HB       ILE  65   3.860  -2.196  -2.366
  522   1HG1  ILE  65          HG12      ILE  65   2.309  -1.506  -4.517
  523   2HG1  ILE  65          HG11      ILE  65   3.779  -1.995  -5.357
  524   1HG2  ILE  65          HG23      ILE  65   3.986   0.490  -3.764
  525   2HG2  ILE  65          HG22      ILE  65   2.657  -0.047  -2.738
  526   3HG2  ILE  65          HG21      ILE  65   4.258   0.192  -2.049
  527   1HD1  ILE  65          HD12      ILE  65   3.658  -4.108  -3.813
  528   2HD1  ILE  65          HD11      ILE  65   1.980  -3.632  -3.577
  529   3HD1  ILE  65          HD13      ILE  65   2.570  -4.005  -5.196
  530    H    TRP  66           HN       TRP  66   6.743  -3.102  -1.763
  531    HA   TRP  66           HA       TRP  66   8.054  -0.728  -0.487
  532   1HB   TRP  66           HB2      TRP  66   6.398  -2.851   0.893
  533   2HB   TRP  66           HB1      TRP  66   7.505  -1.780   1.747
  534    HD1  TRP  66           HD1      TRP  66   7.011   0.910   1.493
  535    HE1  TRP  66           HE1      TRP  66   4.765   2.151   1.268
  536    HE3  TRP  66           HE3      TRP  66   4.002  -2.975   0.067
  537    HZ2  TRP  66           HZ2      TRP  66   2.042   1.580   0.577
  538    HZ3  TRP  66           HZ3      TRP  66   1.584  -2.601  -0.367
  539    HH2  TRP  66           HH2      TRP  66   0.600  -0.330  -0.115
  540    HA   PRO  67           HA       PRO  67  10.942  -4.330  -1.042
  541   1HB   PRO  67           HB2      PRO  67  12.865  -2.831  -2.444
  542   2HB   PRO  67           HB1      PRO  67  11.630  -3.862  -3.189
  543   1HG   PRO  67           HG2      PRO  67  11.764  -0.914  -3.109
  544   2HG   PRO  67           HG1      PRO  67  10.766  -1.949  -4.138
  545   1HD   PRO  67           HD2      PRO  67   9.921  -0.481  -1.829
  546   2HD   PRO  67           HD1      PRO  67   8.942  -1.596  -2.793
  547    H    SER  68           HN       SER  68  11.334  -0.994   0.037
  548    HA   SER  68           HA       SER  68  13.930  -1.502   1.307
  549   1HB   SER  68           HB2      SER  68  12.097   0.856   1.773
  550   2HB   SER  68           HB1      SER  68  13.839   0.777   2.029
  551    HG   SER  68           HG       SER  68  12.688   1.612  -0.099
  552    H    ARG  69           HN       ARG  69  10.611  -1.842   2.240
  553    HA   ARG  69           HA       ARG  69  11.334  -1.914   5.141
  554   1HB   ARG  69           HB2      ARG  69   8.646  -2.082   3.741
  555   2HB   ARG  69           HB1      ARG  69   8.873  -2.118   5.488
  556   1HG   ARG  69           HG2      ARG  69   9.997   0.155   3.845
  557   2HG   ARG  69           HG1      ARG  69   8.308   0.153   4.336
  558   1HD   ARG  69           HD2      ARG  69  10.135  -0.488   6.563
  559   2HD   ARG  69           HD1      ARG  69  10.441   1.100   5.880
  560    HE   ARG  69           HE       ARG  69   8.259   0.363   7.595
  561   1HH1  ARG  69          HH21      ARG  69   8.848   2.090   4.665
  562   2HH1  ARG  69          HH22      ARG  69   7.412   3.051   4.798
  563   1HH2  ARG  69          HH11      ARG  69   6.401   1.609   7.782
  564   2HH2  ARG  69          HH12      ARG  69   6.032   2.780   6.561
  565    H    TYR  70           HN       TYR  70  11.057  -3.931   2.458
  566    HA   TYR  70           HA       TYR  70  10.427  -6.359   4.111
  567   1HB   TYR  70           HB2      TYR  70  10.246  -5.724   1.156
  568   2HB   TYR  70           HB1      TYR  70  10.328  -7.396   1.709
  569    HD1  TYR  70           HD2      TYR  70   8.548  -4.240   2.783
  570    HD2  TYR  70           HD1      TYR  70   8.259  -8.439   1.888
  571    HE1  TYR  70           HE2      TYR  70   6.124  -4.185   3.320
  572    HE2  TYR  70           HE1      TYR  70   5.834  -8.393   2.440
  573    HH   TYR  70           HH       TYR  70   4.058  -7.016   2.803
  574    H    GLN  71           HN       GLN  71  12.307  -7.297   4.840
  575    HA   GLN  71           HA       GLN  71  14.428  -7.926   2.917
  576   1HB   GLN  71           HB2      GLN  71  16.205  -6.753   4.045
  577   2HB   GLN  71           HB1      GLN  71  14.931  -5.580   3.725
  578   1HG   GLN  71           HG2      GLN  71  14.062  -6.159   6.093
  579   2HG   GLN  71           HG1      GLN  71  15.640  -6.902   6.346
  580   1HE2  GLN  71          HE22      GLN  71  16.204  -3.493   7.505
  581   2HE2  GLN  71          HE21      GLN  71  15.519  -4.949   8.043
  582    H    ALA  72           HN       ALA  72  12.524  -9.287   4.800
  583    HA   ALA  72           HA       ALA  72  14.198 -10.394   6.923
  584   1HB   ALA  72           HB2      ALA  72  11.695 -10.159   7.086
  585   2HB   ALA  72           HB1      ALA  72  11.552 -11.437   5.879
  586   3HB   ALA  72           HB3      ALA  72  12.285 -11.781   7.445
  587    H    GLY  73           HN       GLY  73  15.338 -10.691   4.298
  588   1HA   GLY  73           HA2      GLY  73  16.615 -12.423   3.305
  589   2HA   GLY  73           HA1      GLY  73  15.795 -13.584   4.349
  590    H    GLU  74           HN       GLU  74  13.169 -13.321   3.749
  591    HA   GLU  74           HA       GLU  74  12.879 -13.402   0.789
  592   1HB   GLU  74           HB2      GLU  74  12.212 -15.697   2.657
  593   2HB   GLU  74           HB1      GLU  74  11.652 -15.592   0.989
  594   1HG   GLU  74           HG2      GLU  74  14.120 -15.331   0.336
  595   2HG   GLU  74           HG1      GLU  74  14.497 -15.837   1.982
   
  No H/Q in entry =         595
  Start of MODEL          17
 Raw file had  612 H/Q atoms
  Start of MODEL   17
    1   1H    CYS   1           HT3      CYS   1  21.226  10.775   1.374
    2   2H    CYS   1           HT2      CYS   1  22.319  11.241   2.586
    3   3H    CYS   1           HT1      CYS   1  22.144   9.603   2.183
    4    HA   CYS   1           HA       CYS   1  20.256   9.341   3.371
    5   1HB   CYS   1           HB2      CYS   1  21.548  11.808   4.566
    6   2HB   CYS   1           HB1      CYS   1  20.302  10.859   5.383
    7    HG   CYS   1           HG       CYS   1  21.935   8.984   5.761
    8    H    SER   2           HN       SER   2  19.599  12.424   4.501
    9    HA   SER   2           HA       SER   2  17.684  13.759   4.205
   10   1HB   SER   2           HB2      SER   2  18.204  13.429   1.248
   11   2HB   SER   2           HB1      SER   2  17.569  14.835   2.094
   12    HG   SER   2           HG       SER   2  20.185  13.885   1.868
   13    H    ASN   3           HN       ASN   3  17.416  10.706   4.007
   14    HA   ASN   3           HA       ASN   3  15.350  10.169   2.086
   15   1HB   ASN   3           HB2      ASN   3  14.865   8.204   3.719
   16   2HB   ASN   3           HB1      ASN   3  16.437   8.257   2.928
   17   1HD2  ASN   3          HD22      ASN   3  18.229   8.791   5.935
   18   2HD2  ASN   3          HD21      ASN   3  18.311   8.684   4.241
   19    H    GLU   4           HN       GLU   4  13.159  10.418   2.216
   20    HA   GLU   4           HA       GLU   4  11.991  11.437   4.785
   21   1HB   GLU   4           HB2      GLU   4  11.699  12.499   1.971
   22   2HB   GLU   4           HB1      GLU   4  10.451  12.789   3.183
   23   1HG   GLU   4           HG2      GLU   4  13.377  13.450   3.627
   24   2HG   GLU   4           HG1      GLU   4  12.207  14.610   3.002
   25    H    LYS   5           HN       LYS   5  10.657  10.680   1.573
   26    HA   LYS   5           HA       LYS   5   8.502   9.125   2.797
   27   1HB   LYS   5           HB2      LYS   5   9.259   9.946   0.003
   28   2HB   LYS   5           HB1      LYS   5   8.109   8.628   0.209
   29   1HG   LYS   5           HG2      LYS   5   6.922  10.758   0.006
   30   2HG   LYS   5           HG1      LYS   5   6.707  10.098   1.630
   31   1HD   LYS   5           HD2      LYS   5   8.419  11.571   2.515
   32   2HD   LYS   5           HD1      LYS   5   8.813  12.150   0.896
   33   1HE   LYS   5           HE2      LYS   5   6.059  12.422   2.113
   34   2HE   LYS   5           HE1      LYS   5   7.296  13.670   2.268
   35   1HZ   LYS   5           HZ1      LYS   5   7.441  13.380  -0.298
   36   2HZ   LYS   5           HZ3      LYS   5   5.876  12.751  -0.133
   37   3HZ   LYS   5           HZ2      LYS   5   6.209  14.335   0.381
   38    H    ALA   6           HN       ALA   6  11.581   8.395   2.550
   39    HA   ALA   6           HA       ALA   6  12.691   6.335   2.690
   40   1HB   ALA   6           HB3      ALA   6  10.270   5.539   3.430
   41   2HB   ALA   6           HB2      ALA   6  10.260   4.789   1.833
   42   3HB   ALA   6           HB1      ALA   6  11.514   4.361   3.001
   43    H    ARG   7           HN       ARG   7  12.767   4.184   1.038
   44    HA   ARG   7           HA       ARG   7  13.270   5.465  -1.602
   45   1HB   ARG   7           HB2      ARG   7  13.998   2.611  -0.954
   46   2HB   ARG   7           HB1      ARG   7  14.834   3.767  -1.986
   47   1HG   ARG   7           HG2      ARG   7  14.704   3.785   1.037
   48   2HG   ARG   7           HG1      ARG   7  16.122   3.448   0.051
   49   1HD   ARG   7           HD2      ARG   7  15.467   5.900  -0.940
   50   2HD   ARG   7           HD1      ARG   7  14.858   6.077   0.705
   51    HE   ARG   7           HE       ARG   7  17.573   6.273  -0.052
   52   1HH1  ARG   7          HH21      ARG   7  15.635   4.552   2.216
   53   2HH1  ARG   7          HH22      ARG   7  16.964   4.162   3.251
   54   1HH2  ARG   7          HH11      ARG   7  19.310   5.787   1.289
   55   2HH2  ARG   7          HH12      ARG   7  19.039   4.882   2.742
   56    H    ASP   8           HN       ASP   8  10.960   3.578  -0.037
   57    HA   ASP   8           HA       ASP   8  10.143   1.880  -2.224
   58   1HB   ASP   8           HB2      ASP   8   8.348   2.791   0.025
   59   2HB   ASP   8           HB1      ASP   8   8.354   1.245  -0.832
   60    H    TRP   9           HN       TRP   9   7.508   2.162  -2.520
   61    HA   TRP   9           HA       TRP   9   7.226   4.276  -4.442
   62   1HB   TRP   9           HB2      TRP   9   5.204   2.477  -3.065
   63   2HB   TRP   9           HB1      TRP   9   4.808   3.562  -4.386
   64    HD1  TRP   9           HD1      TRP   9   7.874   1.189  -4.033
   65    HE1  TRP   9           HE1      TRP   9   7.934  -0.332  -6.100
   66    HE3  TRP   9           HE3      TRP   9   3.581   2.705  -6.337
   67    HZ2  TRP   9           HZ2      TRP   9   6.337  -0.880  -8.428
   68    HZ3  TRP   9           HZ3      TRP   9   2.854   1.655  -8.465
   69    HH2  TRP   9           HH2      TRP   9   4.224  -0.135  -9.512
   70    H    HIS  10           HN       HIS  10   7.222   6.365  -3.732
   71    HA   HIS  10           HA       HIS  10   6.711   7.376  -1.209
   72   1HB   HIS  10           HB2      HIS  10   5.822   8.695  -3.792
   73   2HB   HIS  10           HB1      HIS  10   6.169   9.509  -2.261
   74    HD1  HIS  10           HD1      HIS  10   8.775   7.707  -1.665
   75    HD2  HIS  10           HD2      HIS  10   8.006   9.867  -5.146
   76    HE1  HIS  10           HE1      HIS  10  11.023   8.145  -2.750
   77    H    ARG  11           HN       ARG  11   4.760   8.523  -0.379
   78    HA   ARG  11           HA       ARG  11   2.516   6.839  -0.222
   79   1HB   ARG  11           HB2      ARG  11   2.691   9.840   0.149
   80   2HB   ARG  11           HB1      ARG  11   1.313   8.855   0.643
   81   1HG   ARG  11           HG2      ARG  11   2.885   7.478   2.036
   82   2HG   ARG  11           HG1      ARG  11   4.161   8.631   1.650
   83   1HD   ARG  11           HD2      ARG  11   1.558   9.253   3.074
   84   2HD   ARG  11           HD1      ARG  11   3.155   9.194   3.809
   85    HE   ARG  11           HE       ARG  11   3.485  11.080   1.842
   86   1HH1  ARG  11          HH21      ARG  11   1.177  10.508   4.335
   87   2HH1  ARG  11          HH22      ARG  11   0.831  12.187   4.588
   88   1HH2  ARG  11          HH11      ARG  11   3.064  13.286   2.176
   89   2HH2  ARG  11          HH12      ARG  11   1.903  13.758   3.374
   90    H    ALA  12           HN       ALA  12   3.309   9.301  -2.598
   91    HA   ALA  12           HA       ALA  12   0.595   9.231  -3.763
   92   1HB   ALA  12           HB2      ALA  12   1.970  11.321  -3.687
   93   2HB   ALA  12           HB1      ALA  12   3.090  10.574  -4.822
   94   3HB   ALA  12           HB3      ALA  12   1.424  10.890  -5.306
   95    H    ASP  13           HN       ASP  13   3.739   7.771  -4.297
   96    HA   ASP  13           HA       ASP  13   3.274   6.931  -7.015
   97   1HB   ASP  13           HB2      ASP  13   5.052   5.816  -4.836
   98   2HB   ASP  13           HB1      ASP  13   5.082   5.245  -6.507
   99    H    VAL  14           HN       VAL  14   2.242   5.836  -3.902
  100    HA   VAL  14           HA       VAL  14   1.419   3.167  -4.755
  101    HB   VAL  14           HB       VAL  14   0.773   4.849  -2.307
  102   1HG1  VAL  14          HG11      VAL  14  -0.095   2.069  -3.091
  103   2HG1  VAL  14          HG13      VAL  14   0.057   2.524  -1.392
  104   3HG1  VAL  14          HG12      VAL  14  -1.070   3.388  -2.440
  105   1HG2  VAL  14          HG23      VAL  14   3.130   4.026  -2.586
  106   2HG2  VAL  14          HG22      VAL  14   2.324   3.386  -1.156
  107   3HG2  VAL  14          HG21      VAL  14   2.506   2.380  -2.591
  108    H    ILE  15           HN       ILE  15  -0.340   6.099  -3.735
  109    HA   ILE  15           HA       ILE  15  -2.849   5.106  -4.783
  110    HB   ILE  15           HB       ILE  15  -2.134   7.947  -4.034
  111   1HG1  ILE  15          HG12      ILE  15  -3.525   6.033  -2.161
  112   2HG1  ILE  15          HG11      ILE  15  -1.775   5.925  -2.292
  113   1HG2  ILE  15          HG23      ILE  15  -4.734   6.400  -4.208
  114   2HG2  ILE  15          HG22      ILE  15  -4.589   8.041  -3.574
  115   3HG2  ILE  15          HG21      ILE  15  -4.225   7.715  -5.267
  116   1HD1  ILE  15          HD11      ILE  15  -3.071   8.599  -1.846
  117   2HD1  ILE  15          HD13      ILE  15  -2.790   7.502  -0.493
  118   3HD1  ILE  15          HD12      ILE  15  -1.432   8.073  -1.461
  119    H    ALA  16           HN       ALA  16  -0.635   7.723  -5.883
  120    HA   ALA  16           HA       ALA  16  -2.125   8.491  -8.154
  121   1HB   ALA  16           HB3      ALA  16   0.061   9.532  -7.259
  122   2HB   ALA  16           HB2      ALA  16   0.893   8.296  -8.204
  123   3HB   ALA  16           HB1      ALA  16  -0.137   9.476  -9.009
  124    H    GLY  17           HN       GLY  17   0.301   5.923  -7.810
  125   1HA   GLY  17           HA2      GLY  17   0.130   5.018 -10.540
  126   2HA   GLY  17           HA1      GLY  17   0.821   4.116  -9.194
  127    H    LEU  18           HN       LEU  18  -1.392   3.885  -7.518
  128    HA   LEU  18           HA       LEU  18  -2.787   1.698  -8.763
  129   1HB   LEU  18           HB2      LEU  18  -3.123   3.200  -6.170
  130   2HB   LEU  18           HB1      LEU  18  -4.265   1.951  -6.635
  131    HG   LEU  18           HG       LEU  18  -1.275   1.470  -6.554
  132   1HD1  LEU  18          HD11      LEU  18  -2.149   2.175  -4.317
  133   2HD1  LEU  18          HD13      LEU  18  -3.295   0.840  -4.384
  134   3HD1  LEU  18          HD12      LEU  18  -1.565   0.514  -4.342
  135   1HD2  LEU  18          HD21      LEU  18  -3.728  -0.270  -6.836
  136   2HD2  LEU  18          HD23      LEU  18  -2.243  -0.297  -7.778
  137   3HD2  LEU  18          HD22      LEU  18  -2.260  -0.942  -6.142
  138    H    LYS  19           HN       LYS  19  -3.981   4.889  -7.676
  139    HA   LYS  19           HA       LYS  19  -6.609   4.672  -8.684
  140   1HB   LYS  19           HB2      LYS  19  -4.765   6.991  -8.162
  141   2HB   LYS  19           HB1      LYS  19  -6.297   7.296  -8.974
  142   1HG   LYS  19           HG2      LYS  19  -7.446   6.099  -7.082
  143   2HG   LYS  19           HG1      LYS  19  -5.893   6.056  -6.249
  144   1HD   LYS  19           HD2      LYS  19  -6.733   8.035  -5.373
  145   2HD   LYS  19           HD1      LYS  19  -5.918   8.675  -6.800
  146   1HE   LYS  19           HE2      LYS  19  -8.160   9.621  -6.680
  147   2HE   LYS  19           HE1      LYS  19  -8.087   8.516  -8.052
  148   1HZ   LYS  19           HZ1      LYS  19  -8.969   7.549  -5.409
  149   2HZ   LYS  19           HZ3      LYS  19 -10.058   8.367  -6.420
  150   3HZ   LYS  19           HZ2      LYS  19  -9.324   6.930  -6.951
  151    H    LYS  20           HN       LYS  20  -3.635   5.121 -10.360
  152    HA   LYS  20           HA       LYS  20  -4.533   6.440 -12.664
  153   1HB   LYS  20           HB2      LYS  20  -2.144   5.843 -12.189
  154   2HB   LYS  20           HB1      LYS  20  -2.514   4.176 -12.618
  155   1HG   LYS  20           HG2      LYS  20  -3.221   4.915 -14.873
  156   2HG   LYS  20           HG1      LYS  20  -2.821   6.582 -14.453
  157   1HD   LYS  20           HD2      LYS  20  -0.735   4.419 -14.169
  158   2HD   LYS  20           HD1      LYS  20  -1.059   5.127 -15.752
  159   1HE   LYS  20           HE2      LYS  20  -0.597   7.377 -14.854
  160   2HE   LYS  20           HE1      LYS  20  -0.289   6.689 -13.260
  161   1HZ   LYS  20           HZ1      LYS  20   1.303   5.230 -14.904
  162   2HZ   LYS  20           HZ3      LYS  20   1.411   6.787 -15.563
  163   3HZ   LYS  20           HZ2      LYS  20   1.808   6.529 -13.933
  164    H    ARG  21           HN       ARG  21  -5.064   3.192 -11.598
  165    HA   ARG  21           HA       ARG  21  -6.377   2.486 -14.174
  166   1HB   ARG  21           HB2      ARG  21  -5.651   0.936 -11.663
  167   2HB   ARG  21           HB1      ARG  21  -6.711   0.266 -12.900
  168   1HG   ARG  21           HG2      ARG  21  -4.832   0.829 -14.577
  169   2HG   ARG  21           HG1      ARG  21  -3.806   1.058 -13.158
  170   1HD   ARG  21           HD2      ARG  21  -3.594  -1.234 -14.018
  171   2HD   ARG  21           HD1      ARG  21  -4.337  -1.240 -12.415
  172    HE   ARG  21           HE       ARG  21  -6.501  -1.168 -14.141
  173   1HH1  ARG  21          HH21      ARG  21  -3.659  -3.087 -13.784
  174   2HH1  ARG  21          HH22      ARG  21  -4.406  -4.539 -14.362
  175   1HH2  ARG  21          HH11      ARG  21  -7.475  -3.039 -14.953
  176   2HH2  ARG  21          HH12      ARG  21  -6.566  -4.508 -15.039
  177    H    LYS  22           HN       LYS  22  -7.533   1.309 -11.115
  178    HA   LYS  22           HA       LYS  22  -9.580   3.374 -10.900
  179   1HB   LYS  22           HB2      LYS  22 -10.157   1.272 -12.620
  180   2HB   LYS  22           HB1      LYS  22 -10.890   0.707 -11.131
  181   1HG   LYS  22           HG2      LYS  22 -11.388   3.425 -12.384
  182   2HG   LYS  22           HG1      LYS  22 -12.461   2.037 -12.530
  183   1HD   LYS  22           HD2      LYS  22 -12.893   2.014 -10.156
  184   2HD   LYS  22           HD1      LYS  22 -11.643   3.216  -9.857
  185   1HE   LYS  22           HE2      LYS  22 -13.936   4.191  -9.836
  186   2HE   LYS  22           HE1      LYS  22 -12.907   4.903 -11.079
  187   1HZ   LYS  22           HZ2      LYS  22 -13.883   3.127 -12.590
  188   2HZ   LYS  22           HZ1      LYS  22 -15.076   2.921 -11.394
  189   3HZ   LYS  22           HZ3      LYS  22 -14.895   4.424 -12.163
  190    H    LEU  23           HN       LEU  23  -7.626   2.643  -9.047
  191    HA   LEU  23           HA       LEU  23  -9.247   1.234  -6.930
  192   1HB   LEU  23           HB2      LEU  23  -6.257   1.151  -7.290
  193   2HB   LEU  23           HB1      LEU  23  -7.154   0.325  -6.036
  194    HG   LEU  23           HG       LEU  23  -7.590  -0.209  -8.991
  195   1HD1  LEU  23          HD12      LEU  23  -5.709  -1.490  -6.996
  196   2HD1  LEU  23          HD11      LEU  23  -6.172  -2.261  -8.511
  197   3HD1  LEU  23          HD13      LEU  23  -5.286  -0.737  -8.531
  198   1HD2  LEU  23          HD22      LEU  23  -8.232  -1.770  -6.462
  199   2HD2  LEU  23          HD21      LEU  23  -9.407  -0.986  -7.519
  200   3HD2  LEU  23          HD23      LEU  23  -8.481  -2.368  -8.094
  201    H    SER  24           HN       SER  24  -9.038   2.006  -4.814
  202    HA   SER  24           HA       SER  24  -7.289   4.319  -4.263
  203   1HB   SER  24           HB2      SER  24  -9.284   5.593  -3.334
  204   2HB   SER  24           HB1      SER  24  -9.203   5.493  -5.092
  205    HG   SER  24           HG       SER  24 -10.935   4.274  -3.288
  206    H    LEU  25           HN       LEU  25  -6.481   4.021  -2.243
  207    HA   LEU  25           HA       LEU  25  -6.842   1.923  -0.533
  208   1HB   LEU  25           HB2      LEU  25  -6.586   4.787   0.426
  209   2HB   LEU  25           HB1      LEU  25  -6.129   3.342   1.325
  210    HG   LEU  25           HG       LEU  25  -4.918   4.036  -1.370
  211   1HD1  LEU  25          HD12      LEU  25  -4.466   5.860   0.238
  212   2HD1  LEU  25          HD11      LEU  25  -3.844   4.677   1.389
  213   3HD1  LEU  25          HD13      LEU  25  -3.005   4.951  -0.136
  214   1HD2  LEU  25          HD21      LEU  25  -4.280   2.085   0.855
  215   2HD2  LEU  25          HD23      LEU  25  -4.478   1.764  -0.868
  216   3HD2  LEU  25          HD22      LEU  25  -3.039   2.600  -0.285
  217    H    SER  26           HN       SER  26  -8.986   4.747  -0.698
  218    HA   SER  26           HA       SER  26 -10.601   3.977   1.584
  219   1HB   SER  26           HB2      SER  26 -11.335   5.796  -0.721
  220   2HB   SER  26           HB1      SER  26 -12.114   5.740   0.857
  221    HG   SER  26           HG       SER  26  -9.522   6.617   0.156
  222    H    ALA  27           HN       ALA  27 -11.001   3.618  -1.942
  223    HA   ALA  27           HA       ALA  27 -13.608   2.437  -1.764
  224   1HB   ALA  27           HB2      ALA  27 -11.493   2.148  -3.912
  225   2HB   ALA  27           HB1      ALA  27 -13.193   1.701  -4.082
  226   3HB   ALA  27           HB3      ALA  27 -12.743   3.390  -3.852
  227    H    LEU  28           HN       LEU  28 -10.341   0.973  -1.953
  228    HA   LEU  28           HA       LEU  28 -11.254  -1.730  -2.064
  229   1HB   LEU  28           HB2      LEU  28  -8.669  -0.432  -1.163
  230   2HB   LEU  28           HB1      LEU  28  -8.916  -2.168  -0.987
  231    HG   LEU  28           HG       LEU  28  -9.247  -2.454  -3.347
  232   1HD1  LEU  28          HD13      LEU  28  -9.338   0.564  -3.388
  233   2HD1  LEU  28          HD12      LEU  28  -9.026  -0.363  -4.843
  234   3HD1  LEU  28          HD11      LEU  28 -10.548  -0.569  -3.982
  235   1HD2  LEU  28          HD23      LEU  28  -6.883  -2.157  -2.496
  236   2HD2  LEU  28          HD22      LEU  28  -7.081  -1.783  -4.204
  237   3HD2  LEU  28          HD21      LEU  28  -6.969  -0.478  -3.026
  238    H    SER  29           HN       SER  29 -11.019   0.561   0.498
  239    HA   SER  29           HA       SER  29 -11.031  -1.230   2.737
  240   1HB   SER  29           HB2      SER  29 -11.421   0.672   4.014
  241   2HB   SER  29           HB1      SER  29 -10.727   1.382   2.558
  242    HG   SER  29           HG       SER  29 -12.540   2.493   2.651
  243    H    ARG  30           HN       ARG  30 -13.734   0.444   1.055
  244    HA   ARG  30           HA       ARG  30 -15.758  -0.859   2.647
  245   1HB   ARG  30           HB2      ARG  30 -16.476   0.092  -0.102
  246   2HB   ARG  30           HB1      ARG  30 -17.284   0.393   1.438
  247   1HG   ARG  30           HG2      ARG  30 -15.302   1.868   2.049
  248   2HG   ARG  30           HG1      ARG  30 -14.796   1.730   0.365
  249   1HD   ARG  30           HD2      ARG  30 -17.064   2.569  -0.316
  250   2HD   ARG  30           HD1      ARG  30 -17.415   2.858   1.385
  251    HE   ARG  30           HE       ARG  30 -15.013   4.179   0.942
  252   1HH1  ARG  30          HH21      ARG  30 -18.165   4.114  -0.440
  253   2HH1  ARG  30          HH22      ARG  30 -18.126   5.774  -0.941
  254   1HH2  ARG  30          HH11      ARG  30 -14.918   6.323   0.283
  255   2HH2  ARG  30          HH12      ARG  30 -16.266   7.026  -0.544
  256    H    GLN  31           HN       GLN  31 -13.990  -1.759  -0.215
  257    HA   GLN  31           HA       GLN  31 -15.823  -3.743  -1.175
  258   1HB   GLN  31           HB2      GLN  31 -12.827  -3.421  -1.510
  259   2HB   GLN  31           HB1      GLN  31 -13.763  -4.675  -2.320
  260   1HG   GLN  31           HG2      GLN  31 -15.212  -2.317  -2.868
  261   2HG   GLN  31           HG1      GLN  31 -13.532  -1.808  -2.984
  262   1HE2  GLN  31          HE22      GLN  31 -12.872  -3.825  -5.885
  263   2HE2  GLN  31          HE21      GLN  31 -12.137  -3.057  -4.561
  264    H    PHE  32           HN       PHE  32 -13.416  -3.848   1.429
  265    HA   PHE  32           HA       PHE  32 -13.928  -6.804   1.683
  266   1HB   PHE  32           HB2      PHE  32 -11.634  -5.037   2.556
  267   2HB   PHE  32           HB1      PHE  32 -11.876  -6.644   3.250
  268    HD1  PHE  32           HD1      PHE  32 -11.275  -4.777   0.094
  269    HD2  PHE  32           HD2      PHE  32 -11.423  -8.651   1.975
  270    HE1  PHE  32           HE1      PHE  32 -10.269  -5.799  -1.937
  271    HE2  PHE  32           HE2      PHE  32 -10.410  -9.672  -0.058
  272    HZ   PHE  32           HZ       PHE  32  -9.836  -8.245  -2.014
  273    H    GLY  33           HN       GLY  33 -14.207  -3.719   3.367
  274   1HA   GLY  33           HA2      GLY  33 -16.233  -3.805   4.955
  275   2HA   GLY  33           HA1      GLY  33 -15.397  -5.150   5.719
  276    H    TYR  34           HN       TYR  34 -12.823  -4.314   5.900
  277    HA   TYR  34           HA       TYR  34 -12.737  -2.743   8.180
  278   1HB   TYR  34           HB2      TYR  34 -10.558  -2.536   6.099
  279   2HB   TYR  34           HB1      TYR  34 -10.408  -2.528   7.858
  280    HD1  TYR  34           HD2      TYR  34 -11.717  -4.685   8.954
  281    HD2  TYR  34           HD1      TYR  34  -9.812  -4.533   5.093
  282    HE1  TYR  34           HE2      TYR  34 -11.480  -7.152   8.978
  283    HE2  TYR  34           HE1      TYR  34  -9.587  -7.009   5.115
  284    HH   TYR  34           HH       TYR  34 -11.134  -8.975   7.568
  285    H    ALA  35           HN       ALA  35 -13.141  -0.644   8.616
  286    HA   ALA  35           HA       ALA  35 -14.191   1.203   6.804
  287   1HB   ALA  35           HB3      ALA  35 -13.365   1.193   9.552
  288   2HB   ALA  35           HB2      ALA  35 -12.716   2.661   8.826
  289   3HB   ALA  35           HB1      ALA  35 -14.451   2.339   8.770
  290    HA   PRO  36           HA       PRO  36 -10.899   2.901   4.365
  291   1HB   PRO  36           HB2      PRO  36 -11.263   5.687   5.018
  292   2HB   PRO  36           HB1      PRO  36 -11.878   4.823   3.602
  293   1HG   PRO  36           HG2      PRO  36 -13.358   5.712   5.967
  294   2HG   PRO  36           HG1      PRO  36 -13.996   5.066   4.455
  295   1HD   PRO  36           HD2      PRO  36 -13.939   3.720   6.957
  296   2HD   PRO  36           HD1      PRO  36 -14.304   2.994   5.379
  297    H    THR  37           HN       THR  37 -11.108   3.837   7.743
  298    HA   THR  37           HA       THR  37  -8.536   5.085   7.986
  299    HB   THR  37           HB       THR  37  -8.777   4.580  10.418
  300    HG1  THR  37           HG1      THR  37 -11.140   3.685  10.639
  301   1HG2  THR  37          HG22      THR  37  -9.905   6.547   9.408
  302   2HG2  THR  37          HG21      THR  37 -11.332   5.554   9.129
  303   3HG2  THR  37          HG23      THR  37 -10.800   5.884  10.777
  304    H    THR  38           HN       THR  38  -9.559   1.709   8.457
  305    HA   THR  38           HA       THR  38  -7.117   0.680   9.419
  306    HB   THR  38           HB       THR  38  -9.261  -0.554   7.680
  307    HG1  THR  38           HG1      THR  38 -10.093  -0.254   9.637
  308   1HG2  THR  38          HG23      THR  38  -6.748  -1.723   8.836
  309   2HG2  THR  38          HG22      THR  38  -8.204  -2.714   8.719
  310   3HG2  THR  38          HG21      THR  38  -7.497  -2.016   7.262
  311    H    LEU  39           HN       LEU  39  -8.236   0.626   6.005
  312    HA   LEU  39           HA       LEU  39  -5.910  -0.344   4.841
  313   1HB   LEU  39           HB2      LEU  39  -8.295   0.798   3.905
  314   2HB   LEU  39           HB1      LEU  39  -7.055   1.859   3.241
  315    HG   LEU  39           HG       LEU  39  -7.396   0.181   1.604
  316   1HD1  LEU  39          HD11      LEU  39  -4.912   0.557   2.633
  317   2HD1  LEU  39          HD13      LEU  39  -5.059  -1.185   2.879
  318   3HD1  LEU  39          HD12      LEU  39  -5.237  -0.506   1.266
  319   1HD2  LEU  39          HD23      LEU  39  -7.533  -1.681   3.968
  320   2HD2  LEU  39          HD22      LEU  39  -8.626  -1.535   2.599
  321   3HD2  LEU  39          HD21      LEU  39  -7.066  -2.329   2.400
  322    H    ALA  40           HN       ALA  40  -6.642   3.142   5.297
  323    HA   ALA  40           HA       ALA  40  -4.100   4.102   4.500
  324   1HB   ALA  40           HB1      ALA  40  -6.155   5.485   5.011
  325   2HB   ALA  40           HB3      ALA  40  -5.790   5.269   6.726
  326   3HB   ALA  40           HB2      ALA  40  -4.655   6.128   5.680
  327    H    ASN  41           HN       ASN  41  -5.227   3.221   7.771
  328    HA   ASN  41           HA       ASN  41  -2.858   3.779   9.199
  329   1HB   ASN  41           HB2      ASN  41  -4.880   1.565   9.685
  330   2HB   ASN  41           HB1      ASN  41  -3.708   2.155  10.870
  331   1HD2  ASN  41          HD22      ASN  41  -6.991   3.979  11.320
  332   2HD2  ASN  41          HD21      ASN  41  -6.584   2.330  11.277
  333    H    ALA  42           HN       ALA  42  -3.228   1.513   6.712
  334    HA   ALA  42           HA       ALA  42  -1.495  -0.576   7.745
  335   1HB   ALA  42           HB1      ALA  42  -3.131  -0.791   5.777
  336   2HB   ALA  42           HB3      ALA  42  -1.924   0.070   4.816
  337   3HB   ALA  42           HB2      ALA  42  -1.533  -1.488   5.532
  338    H    LEU  43           HN       LEU  43  -0.956   2.530   6.271
  339    HA   LEU  43           HA       LEU  43   1.815   1.923   5.513
  340   1HB   LEU  43           HB2      LEU  43   0.355   4.577   5.679
  341   2HB   LEU  43           HB1      LEU  43   1.917   4.302   4.902
  342    HG   LEU  43           HG       LEU  43  -0.500   2.691   4.053
  343   1HD1  LEU  43          HD12      LEU  43  -1.151   5.100   3.974
  344   2HD1  LEU  43          HD11      LEU  43   0.239   5.414   2.938
  345   3HD1  LEU  43          HD13      LEU  43  -1.068   4.359   2.380
  346   1HD2  LEU  43          HD22      LEU  43   2.040   3.644   2.683
  347   2HD2  LEU  43          HD21      LEU  43   1.673   1.999   3.187
  348   3HD2  LEU  43          HD23      LEU  43   0.755   2.737   1.879
  349    H    GLU  44           HN       GLU  44   0.110   3.201   8.263
  350    HA   GLU  44           HA       GLU  44   2.600   4.300   9.452
  351   1HB   GLU  44           HB2      GLU  44  -0.293   4.358  10.363
  352   2HB   GLU  44           HB1      GLU  44   1.035   5.090  11.245
  353   1HG   GLU  44           HG2      GLU  44   0.568   6.974  10.027
  354   2HG   GLU  44           HG1      GLU  44   1.398   6.164   8.705
  355    H    ARG  45           HN       ARG  45  -0.072   2.311  10.799
  356    HA   ARG  45           HA       ARG  45   1.666   1.177  12.836
  357   1HB   ARG  45           HB2      ARG  45  -1.180   0.724  11.953
  358   2HB   ARG  45           HB1      ARG  45  -0.432  -0.399  13.084
  359   1HG   ARG  45           HG2      ARG  45  -1.614   1.325  14.328
  360   2HG   ARG  45           HG1      ARG  45   0.122   1.519  14.570
  361   1HD   ARG  45           HD2      ARG  45   0.236   3.405  13.162
  362   2HD   ARG  45           HD1      ARG  45  -1.308   3.027  12.380
  363    HE   ARG  45           HE       ARG  45  -2.037   3.446  15.001
  364   1HH1  ARG  45          HH21      ARG  45  -0.150   5.175  12.677
  365   2HH1  ARG  45          HH22      ARG  45  -0.599   6.735  13.285
  366   1HH2  ARG  45          HH11      ARG  45  -2.659   5.485  15.768
  367   2HH2  ARG  45          HH12      ARG  45  -2.010   6.911  15.026
  368    H    HIS  46           HN       HIS  46   2.369  -0.984  13.000
  369    HA   HIS  46           HA       HIS  46   3.209  -2.238  10.542
  370   1HB   HIS  46           HB2      HIS  46   4.065  -4.010  11.993
  371   2HB   HIS  46           HB1      HIS  46   4.446  -2.439  12.691
  372    HD1  HIS  46           HD1      HIS  46   1.913  -1.705  14.198
  373    HD2  HIS  46           HD2      HIS  46   3.447  -5.584  14.145
  374    HE1  HIS  46           HE1      HIS  46   0.984  -2.879  16.249
  375    H    TRP  47           HN       TRP  47   1.785  -3.220   9.217
  376    HA   TRP  47           HA       TRP  47   0.153  -5.428  10.146
  377   1HB   TRP  47           HB2      TRP  47  -1.323  -3.520  10.746
  378   2HB   TRP  47           HB1      TRP  47  -1.262  -2.967   9.069
  379    HD1  TRP  47           HD1      TRP  47  -1.799  -6.555  10.479
  380    HE1  TRP  47           HE1      TRP  47  -3.945  -7.512   9.436
  381    HE3  TRP  47           HE3      TRP  47  -3.349  -2.495   7.755
  382    HZ2  TRP  47           HZ2      TRP  47  -6.063  -6.674   7.673
  383    HZ3  TRP  47           HZ3      TRP  47  -5.425  -2.605   6.408
  384    HH2  TRP  47           HH2      TRP  47  -6.786  -4.683   6.367
  385    HA   PRO  48           HA       PRO  48   1.978  -5.376   5.827
  386   1HB   PRO  48           HB2      PRO  48   2.437  -8.234   6.370
  387   2HB   PRO  48           HB1      PRO  48   3.602  -6.982   5.909
  388   1HG   PRO  48           HG2      PRO  48   3.368  -8.116   8.478
  389   2HG   PRO  48           HG1      PRO  48   4.215  -6.609   8.097
  390   1HD   PRO  48           HD2      PRO  48   1.657  -6.971   9.492
  391   2HD   PRO  48           HD1      PRO  48   2.663  -5.507   9.380
  392    H    LYS  49           HN       LYS  49  -0.525  -7.305   7.379
  393    HA   LYS  49           HA       LYS  49  -1.363  -8.702   4.991
  394   1HB   LYS  49           HB2      LYS  49  -1.975  -9.296   7.383
  395   2HB   LYS  49           HB1      LYS  49  -3.081  -7.929   7.362
  396   1HG   LYS  49           HG2      LYS  49  -4.671  -9.201   6.342
  397   2HG   LYS  49           HG1      LYS  49  -3.594  -9.476   4.978
  398   1HD   LYS  49           HD2      LYS  49  -2.507 -11.321   6.379
  399   2HD   LYS  49           HD1      LYS  49  -3.860 -11.138   7.492
  400   1HE   LYS  49           HE2      LYS  49  -3.931 -11.997   4.595
  401   2HE   LYS  49           HE1      LYS  49  -4.509 -12.881   6.005
  402   1HZ   LYS  49           HZ1      LYS  49  -6.166 -11.118   6.339
  403   2HZ   LYS  49           HZ3      LYS  49  -5.651 -10.382   4.899
  404   3HZ   LYS  49           HZ2      LYS  49  -6.358 -11.928   4.861
  405    H    GLY  50           HN       GLY  50  -1.614  -5.469   6.037
  406   1HA   GLY  50           HA2      GLY  50  -4.032  -4.787   4.531
  407   2HA   GLY  50           HA1      GLY  50  -2.911  -3.640   5.285
  408    H    GLU  51           HN       GLU  51  -0.577  -4.933   3.997
  409    HA   GLU  51           HA       GLU  51  -0.546  -3.380   1.558
  410   1HB   GLU  51           HB2      GLU  51   1.406  -5.557   2.372
  411   2HB   GLU  51           HB1      GLU  51   1.713  -4.178   1.316
  412   1HG   GLU  51           HG2      GLU  51   1.372  -2.642   3.204
  413   2HG   GLU  51           HG1      GLU  51   1.007  -3.994   4.256
  414    H    GLN  52           HN       GLN  52  -1.018  -6.766   2.416
  415    HA   GLN  52           HA       GLN  52  -0.830  -7.895  -0.193
  416   1HB   GLN  52           HB2      GLN  52  -2.470  -8.716   2.222
  417   2HB   GLN  52           HB1      GLN  52  -2.304  -9.702   0.768
  418   1HG   GLN  52           HG2      GLN  52   0.204  -9.572   1.079
  419   2HG   GLN  52           HG1      GLN  52  -0.108  -8.846   2.660
  420   1HE2  GLN  52          HE22      GLN  52  -1.963 -11.975   3.613
  421   2HE2  GLN  52          HE21      GLN  52  -2.436 -10.364   3.384
  422    H    ILE  53           HN       ILE  53  -3.596  -6.547   1.593
  423    HA   ILE  53           HA       ILE  53  -5.632  -7.053  -0.293
  424    HB   ILE  53           HB       ILE  53  -5.191  -4.711   1.587
  425   1HG1  ILE  53          HG12      ILE  53  -7.097  -7.076   1.729
  426   2HG1  ILE  53          HG11      ILE  53  -5.523  -7.044   2.520
  427   1HG2  ILE  53          HG23      ILE  53  -7.577  -5.409  -0.151
  428   2HG2  ILE  53          HG22      ILE  53  -7.685  -4.331   1.239
  429   3HG2  ILE  53          HG21      ILE  53  -6.672  -3.894  -0.136
  430   1HD1  ILE  53          HD12      ILE  53  -6.474  -4.757   3.538
  431   2HD1  ILE  53          HD11      ILE  53  -8.024  -5.529   3.204
  432   3HD1  ILE  53          HD13      ILE  53  -6.865  -6.313   4.273
  433    H    ILE  54           HN       ILE  54  -3.482  -4.192  -0.070
  434    HA   ILE  54           HA       ILE  54  -4.439  -2.924  -2.452
  435    HB   ILE  54           HB       ILE  54  -1.792  -2.753  -0.975
  436   1HG1  ILE  54          HG12      ILE  54  -4.104  -0.796  -1.169
  437   2HG1  ILE  54          HG11      ILE  54  -3.934  -1.991   0.121
  438   1HG2  ILE  54          HG21      ILE  54  -2.815  -1.181  -3.351
  439   2HG2  ILE  54          HG23      ILE  54  -1.527  -0.595  -2.304
  440   3HG2  ILE  54          HG22      ILE  54  -1.302  -2.072  -3.226
  441   1HD1  ILE  54          HD12      ILE  54  -1.554  -0.943   0.450
  442   2HD1  ILE  54          HD11      ILE  54  -2.215   0.426  -0.434
  443   3HD1  ILE  54          HD13      ILE  54  -2.952  -0.079   1.079
  444    H    ALA  55           HN       ALA  55  -1.387  -4.721  -1.957
  445    HA   ALA  55           HA       ALA  55  -0.596  -4.825  -4.657
  446   1HB   ALA  55           HB1      ALA  55   0.829  -5.471  -2.730
  447   2HB   ALA  55           HB3      ALA  55  -0.139  -6.932  -2.527
  448   3HB   ALA  55           HB2      ALA  55   0.822  -6.706  -3.986
  449    H    ASN  56           HN       ASN  56  -2.913  -6.844  -2.943
  450    HA   ASN  56           HA       ASN  56  -3.085  -9.016  -4.743
  451   1HB   ASN  56           HB2      ASN  56  -4.305  -9.000  -2.620
  452   2HB   ASN  56           HB1      ASN  56  -5.317  -7.669  -3.188
  453   1HD2  ASN  56          HD22      ASN  56  -7.600 -10.149  -4.310
  454   2HD2  ASN  56          HD21      ASN  56  -7.339  -8.858  -3.241
  455    H    ALA  57           HN       ALA  57  -4.811  -5.902  -4.792
  456    HA   ALA  57           HA       ALA  57  -6.310  -6.383  -7.166
  457   1HB   ALA  57           HB1      ALA  57  -6.567  -4.506  -5.412
  458   2HB   ALA  57           HB3      ALA  57  -5.313  -3.664  -6.323
  459   3HB   ALA  57           HB2      ALA  57  -6.846  -4.071  -7.102
  460    H    LEU  58           HN       LEU  58  -2.943  -5.641  -6.747
  461    HA   LEU  58           HA       LEU  58  -2.634  -4.733  -9.553
  462   1HB   LEU  58           HB2      LEU  58  -0.807  -4.984  -7.168
  463   2HB   LEU  58           HB1      LEU  58  -0.112  -4.838  -8.779
  464    HG   LEU  58           HG       LEU  58  -2.228  -2.883  -7.877
  465   1HD1  LEU  58          HD13      LEU  58   0.701  -2.898  -7.150
  466   2HD1  LEU  58          HD12      LEU  58  -0.236  -1.403  -7.191
  467   3HD1  LEU  58          HD11      LEU  58  -0.684  -2.698  -6.078
  468   1HD2  LEU  58          HD22      LEU  58   0.127  -2.764  -9.799
  469   2HD2  LEU  58          HD21      LEU  58  -1.583  -2.786 -10.229
  470   3HD2  LEU  58          HD23      LEU  58  -0.901  -1.384  -9.411
  471    H    GLU  59           HN       GLU  59  -3.162  -7.629  -8.191
  472    HA   GLU  59           HA       GLU  59  -2.701  -9.839  -8.798
  473   1HB   GLU  59           HB2      GLU  59  -2.400  -8.253 -11.296
  474   2HB   GLU  59           HB1      GLU  59  -1.656  -9.850 -11.334
  475   1HG   GLU  59           HG2      GLU  59  -4.479  -9.477 -10.320
  476   2HG   GLU  59           HG1      GLU  59  -4.147  -9.659 -12.034
  477    H    THR  60           HN       THR  60  -0.401  -7.696  -8.064
  478    HA   THR  60           HA       THR  60   1.873  -9.595  -8.589
  479    HB   THR  60           HB       THR  60   1.971  -7.182  -9.483
  480    HG1  THR  60           HG1      THR  60   4.010  -7.592  -9.434
  481   1HG2  THR  60          HG23      THR  60   1.083  -6.355  -7.143
  482   2HG2  THR  60          HG22      THR  60   2.786  -6.447  -6.692
  483   3HG2  THR  60          HG21      THR  60   2.282  -5.397  -8.013
  484    H    LYS  61           HN       LYS  61   3.635  -8.680  -6.607
  485    HA   LYS  61           HA       LYS  61   2.162  -9.437  -4.112
  486   1HB   LYS  61           HB2      LYS  61   5.136  -9.760  -4.529
  487   2HB   LYS  61           HB1      LYS  61   4.089 -10.615  -3.392
  488   1HG   LYS  61           HG2      LYS  61   4.228 -12.268  -5.006
  489   2HG   LYS  61           HG1      LYS  61   2.872 -11.370  -5.680
  490   1HD   LYS  61           HD2      LYS  61   4.223 -11.454  -7.563
  491   2HD   LYS  61           HD1      LYS  61   4.844  -9.972  -6.846
  492   1HE   LYS  61           HE2      LYS  61   6.760 -11.293  -7.399
  493   2HE   LYS  61           HE1      LYS  61   6.570 -11.425  -5.650
  494   1HZ   LYS  61           HZ3      LYS  61   5.246 -13.379  -7.393
  495   2HZ   LYS  61           HZ2      LYS  61   6.910 -13.540  -7.081
  496   3HZ   LYS  61           HZ1      LYS  61   5.795 -13.559  -5.802
  497    HA   PRO  62           HA       PRO  62   3.206  -5.482  -2.449
  498   1HB   PRO  62           HB2      PRO  62   4.041  -6.394   0.174
  499   2HB   PRO  62           HB1      PRO  62   2.482  -5.695  -0.289
  500   1HG   PRO  62           HG2      PRO  62   3.079  -8.474   0.326
  501   2HG   PRO  62           HG1      PRO  62   1.507  -7.748  -0.037
  502   1HD   PRO  62           HD2      PRO  62   3.046  -9.474  -1.741
  503   2HD   PRO  62           HD1      PRO  62   1.524  -8.651  -2.132
  504    H    GLU  63           HN       GLU  63   5.430  -8.124  -2.500
  505    HA   GLU  63           HA       GLU  63   7.802  -6.866  -1.527
  506   1HB   GLU  63           HB2      GLU  63   7.605  -8.937  -3.744
  507   2HB   GLU  63           HB1      GLU  63   9.015  -8.602  -2.732
  508   1HG   GLU  63           HG2      GLU  63   7.866  -9.377  -0.753
  509   2HG   GLU  63           HG1      GLU  63   6.345  -9.521  -1.633
  510    H    VAL  64           HN       VAL  64   5.982  -6.311  -4.395
  511    HA   VAL  64           HA       VAL  64   8.267  -5.172  -5.892
  512    HB   VAL  64           HB       VAL  64   5.330  -5.103  -6.614
  513   1HG1  VAL  64          HG12      VAL  64   7.891  -4.992  -8.235
  514   2HG1  VAL  64          HG11      VAL  64   6.266  -5.056  -8.922
  515   3HG1  VAL  64          HG13      VAL  64   6.764  -3.660  -7.964
  516   1HG2  VAL  64          HG22      VAL  64   7.390  -7.297  -6.906
  517   2HG2  VAL  64          HG21      VAL  64   5.759  -7.409  -6.246
  518   3HG2  VAL  64          HG23      VAL  64   5.990  -7.188  -7.981
  519    H    ILE  65           HN       ILE  65   5.534  -4.069  -3.967
  520    HA   ILE  65           HA       ILE  65   5.895  -1.269  -4.820
  521    HB   ILE  65           HB       ILE  65   4.091  -2.470  -2.717
  522   1HG1  ILE  65          HG12      ILE  65   3.287  -1.421  -5.435
  523   2HG1  ILE  65          HG11      ILE  65   3.810  -3.094  -5.241
  524   1HG2  ILE  65          HG22      ILE  65   4.293   0.289  -3.923
  525   2HG2  ILE  65          HG21      ILE  65   2.871  -0.267  -3.047
  526   3HG2  ILE  65          HG23      ILE  65   4.422  -0.143  -2.224
  527   1HD1  ILE  65          HD13      ILE  65   2.021  -3.182  -3.321
  528   2HD1  ILE  65          HD12      ILE  65   1.372  -1.740  -4.093
  529   3HD1  ILE  65          HD11      ILE  65   1.480  -3.249  -4.993
  530    H    TRP  66           HN       TRP  66   7.026  -3.369  -2.311
  531    HA   TRP  66           HA       TRP  66   8.413  -1.052  -1.019
  532   1HB   TRP  66           HB2      TRP  66   6.833  -3.242   0.359
  533   2HB   TRP  66           HB1      TRP  66   7.995  -2.227   1.199
  534    HD1  TRP  66           HD1      TRP  66   7.505   0.455   1.186
  535    HE1  TRP  66           HE1      TRP  66   5.269   1.739   1.145
  536    HE3  TRP  66           HE3      TRP  66   4.366  -3.284  -0.366
  537    HZ2  TRP  66           HZ2      TRP  66   2.502   1.250   0.539
  538    HZ3  TRP  66           HZ3      TRP  66   1.936  -2.849  -0.661
  539    HH2  TRP  66           HH2      TRP  66   1.002  -0.590  -0.212
  540    HA   PRO  67           HA       PRO  67  11.181  -4.724  -1.993
  541   1HB   PRO  67           HB2      PRO  67  12.974  -3.249  -3.571
  542   2HB   PRO  67           HB1      PRO  67  11.626  -4.217  -4.196
  543   1HG   PRO  67           HG2      PRO  67  11.858  -1.264  -3.987
  544   2HG   PRO  67           HG1      PRO  67  10.810  -2.229  -5.035
  545   1HD   PRO  67           HD2      PRO  67  10.014  -0.853  -2.675
  546   2HD   PRO  67           HD1      PRO  67   9.055  -2.055  -3.566
  547    H    SER  68           HN       SER  68  12.245  -1.332  -1.523
  548    HA   SER  68           HA       SER  68  14.745  -2.027  -0.275
  549   1HB   SER  68           HB2      SER  68  14.676   0.099  -1.271
  550   2HB   SER  68           HB1      SER  68  13.138   0.500  -0.515
  551    HG   SER  68           HG       SER  68  14.163   0.755   1.420
  552    H    ARG  69           HN       ARG  69  11.684  -2.366   1.004
  553    HA   ARG  69           HA       ARG  69  12.545  -1.697   3.800
  554   1HB   ARG  69           HB2      ARG  69   9.860  -2.165   2.506
  555   2HB   ARG  69           HB1      ARG  69  10.039  -2.231   4.257
  556   1HG   ARG  69           HG2      ARG  69  11.120   0.150   2.749
  557   2HG   ARG  69           HG1      ARG  69   9.393   0.045   3.080
  558   1HD   ARG  69           HD2      ARG  69  11.339  -0.427   5.326
  559   2HD   ARG  69           HD1      ARG  69  10.971   1.223   4.825
  560    HE   ARG  69           HE       ARG  69   8.481   0.046   5.105
  561   1HH1  ARG  69          HH21      ARG  69  11.306   0.436   7.048
  562   2HH1  ARG  69          HH22      ARG  69  10.433   0.423   8.545
  563   1HH2  ARG  69          HH11      ARG  69   7.334   0.037   7.039
  564   2HH2  ARG  69          HH12      ARG  69   8.186   0.198   8.539
  565    H    TYR  70           HN       TYR  70  11.771  -4.337   1.666
  566    HA   TYR  70           HA       TYR  70  11.782  -6.287   3.943
  567   1HB   TYR  70           HB2      TYR  70  10.822  -6.392   1.072
  568   2HB   TYR  70           HB1      TYR  70  11.160  -7.887   1.943
  569    HD1  TYR  70           HD2      TYR  70  10.155  -7.950   4.437
  570    HD2  TYR  70           HD1      TYR  70   8.649  -5.545   1.208
  571    HE1  TYR  70           HE2      TYR  70   7.960  -7.776   5.596
  572    HE2  TYR  70           HE1      TYR  70   6.448  -5.359   2.364
  573    HH   TYR  70           HH       TYR  70   5.144  -6.570   4.061
  574    H    GLN  71           HN       GLN  71  13.087  -8.276   3.577
  575    HA   GLN  71           HA       GLN  71  15.295  -8.160   1.652
  576   1HB   GLN  71           HB2      GLN  71  15.937  -6.699   3.700
  577   2HB   GLN  71           HB1      GLN  71  16.039  -8.223   4.583
  578   1HG   GLN  71           HG2      GLN  71  18.246  -7.844   3.796
  579   2HG   GLN  71           HG1      GLN  71  17.579  -9.026   2.674
  580   1HE2  GLN  71          HE22      GLN  71  17.578  -5.162   1.267
  581   2HE2  GLN  71          HE21      GLN  71  17.020  -5.479   2.834
  582    H    ALA  72           HN       ALA  72  13.925 -10.125   1.224
  583    HA   ALA  72           HA       ALA  72  15.123 -12.473   2.486
  584   1HB   ALA  72           HB3      ALA  72  13.193 -11.748   4.011
  585   2HB   ALA  72           HB2      ALA  72  12.118 -12.155   2.678
  586   3HB   ALA  72           HB1      ALA  72  13.122 -13.405   3.416
  587    H    GLY  73           HN       GLY  73  14.882 -11.287  -0.216
  588   1HA   GLY  73           HA2      GLY  73  12.936 -12.909  -1.668
  589   2HA   GLY  73           HA1      GLY  73  14.182 -11.892  -2.395
  590    H    GLU  74           HN       GLU  74  15.321 -14.043   0.024
  591    HA   GLU  74           HA       GLU  74  16.695 -15.642  -2.070
  592   1HB   GLU  74           HB2      GLU  74  17.948 -16.541  -0.009
  593   2HB   GLU  74           HB1      GLU  74  18.196 -14.835  -0.401
  594   1HG   GLU  74           HG2      GLU  74  16.735 -14.115   1.322
  595   2HG   GLU  74           HG1      GLU  74  16.041 -15.722   1.524
   
  No H/Q in entry =         595
  Start of MODEL          18
 Raw file had  612 H/Q atoms
  Start of MODEL   18
    1   1H    CYS   1           HT3      CYS   1  17.645   9.817   7.759
    2   2H    CYS   1           HT2      CYS   1  18.846  10.569   8.698
    3   3H    CYS   1           HT1      CYS   1  17.830   9.396   9.390
    4    HA   CYS   1           HA       CYS   1  16.062  10.797   9.582
    5   1HB   CYS   1           HB2      CYS   1  18.561  12.505   9.651
    6   2HB   CYS   1           HB1      CYS   1  16.980  13.112  10.148
    7    HG   CYS   1           HG       CYS   1  17.038  10.887  11.823
    8    H    SER   2           HN       SER   2  17.312  10.651   6.648
    9    HA   SER   2           HA       SER   2  15.398  12.586   5.544
   10   1HB   SER   2           HB2      SER   2  18.280  12.815   4.671
   11   2HB   SER   2           HB1      SER   2  16.950  13.925   4.353
   12    HG   SER   2           HG       SER   2  18.631  14.256   6.190
   13    H    ASN   3           HN       ASN   3  16.571   9.616   5.550
   14    HA   ASN   3           HA       ASN   3  16.919   9.184   2.663
   15   1HB   ASN   3           HB2      ASN   3  17.057   6.772   3.358
   16   2HB   ASN   3           HB1      ASN   3  18.219   7.807   4.189
   17   1HD2  ASN   3          HD22      ASN   3  15.165   6.100   6.312
   18   2HD2  ASN   3          HD21      ASN   3  15.166   6.027   4.616
   19    H    GLU   4           HN       GLU   4  14.285   9.611   4.698
   20    HA   GLU   4           HA       GLU   4  12.456   7.609   3.811
   21   1HB   GLU   4           HB2      GLU   4  12.010  10.456   4.742
   22   2HB   GLU   4           HB1      GLU   4  10.690   9.342   4.392
   23   1HG   GLU   4           HG2      GLU   4  11.183   9.299   6.780
   24   2HG   GLU   4           HG1      GLU   4  11.625   7.751   6.057
   25    H    LYS   5           HN       LYS   5  10.311   8.842   2.687
   26    HA   LYS   5           HA       LYS   5   9.561   8.952   0.420
   27   1HB   LYS   5           HB2      LYS   5   9.329  11.233  -0.092
   28   2HB   LYS   5           HB1      LYS   5   9.539  11.218   1.656
   29   1HG   LYS   5           HG2      LYS   5  12.146  11.447   0.884
   30   2HG   LYS   5           HG1      LYS   5  11.368  12.254  -0.467
   31   1HD   LYS   5           HD2      LYS   5  10.903  12.938   2.453
   32   2HD   LYS   5           HD1      LYS   5  11.981  13.819   1.369
   33   1HE   LYS   5           HE2      LYS   5  10.009  14.198  -0.157
   34   2HE   LYS   5           HE1      LYS   5   8.980  13.508   1.099
   35   1HZ   LYS   5           HZ1      LYS   5  10.833  15.646   1.848
   36   2HZ   LYS   5           HZ3      LYS   5   9.444  16.071   0.974
   37   3HZ   LYS   5           HZ2      LYS   5   9.295  15.277   2.470
   38    H    ALA   6           HN       ALA   6  12.065   7.595   0.386
   39    HA   ALA   6           HA       ALA   6  12.961   8.346  -2.332
   40   1HB   ALA   6           HB1      ALA   6  14.429   9.580  -0.699
   41   2HB   ALA   6           HB3      ALA   6  14.944   8.015  -0.064
   42   3HB   ALA   6           HB2      ALA   6  15.303   8.451  -1.735
   43    H    ARG   7           HN       ARG   7  12.412   6.039   0.144
   44    HA   ARG   7           HA       ARG   7  13.847   3.880  -1.329
   45   1HB   ARG   7           HB2      ARG   7  12.597   4.069   1.419
   46   2HB   ARG   7           HB1      ARG   7  12.894   2.491   0.697
   47   1HG   ARG   7           HG2      ARG   7  14.831   2.874   1.941
   48   2HG   ARG   7           HG1      ARG   7  15.322   3.356   0.322
   49   1HD   ARG   7           HD2      ARG   7  14.517   5.735   1.077
   50   2HD   ARG   7           HD1      ARG   7  14.678   5.091   2.702
   51    HE   ARG   7           HE       ARG   7  16.806   5.998   1.011
   52   1HH1  ARG   7          HH21      ARG   7  15.999   3.355   3.080
   53   2HH1  ARG   7          HH22      ARG   7  17.640   2.848   3.274
   54   1HH2  ARG   7          HH11      ARG   7  18.934   5.354   1.259
   55   2HH2  ARG   7          HH12      ARG   7  19.307   3.982   2.249
   56    H    ASP   8           HN       ASP   8  10.826   3.626   0.450
   57    HA   ASP   8           HA       ASP   8   9.694   1.868  -1.519
   58   1HB   ASP   8           HB2      ASP   8   8.133   3.314   0.625
   59   2HB   ASP   8           HB1      ASP   8   7.828   1.716  -0.071
   60    H    TRP   9           HN       TRP   9   7.251   2.401  -2.036
   61    HA   TRP   9           HA       TRP   9   7.244   4.431  -4.077
   62   1HB   TRP   9           HB2      TRP   9   5.098   2.743  -2.760
   63   2HB   TRP   9           HB1      TRP   9   4.753   3.842  -4.080
   64    HD1  TRP   9           HD1      TRP   9   7.765   1.416  -3.694
   65    HE1  TRP   9           HE1      TRP   9   7.825  -0.099  -5.771
   66    HE3  TRP   9           HE3      TRP   9   3.504   2.980  -6.036
   67    HZ2  TRP   9           HZ2      TRP   9   6.239  -0.630  -8.112
   68    HZ3  TRP   9           HZ3      TRP   9   2.780   1.941  -8.172
   69    HH2  TRP   9           HH2      TRP   9   4.144   0.143  -9.214
   70    H    HIS  10           HN       HIS  10   7.010   6.622  -3.634
   71    HA   HIS  10           HA       HIS  10   6.476   7.805  -1.174
   72   1HB   HIS  10           HB2      HIS  10   7.094   8.933  -3.428
   73   2HB   HIS  10           HB1      HIS  10   5.356   8.987  -3.728
   74    HD1  HIS  10           HD1      HIS  10   7.869  10.092  -1.090
   75    HD2  HIS  10           HD2      HIS  10   4.077  11.120  -2.487
   76    HE1  HIS  10           HE1      HIS  10   7.197  12.199   0.144
   77    H    ARG  11           HN       ARG  11   4.497   8.748  -0.282
   78    HA   ARG  11           HA       ARG  11   2.322   6.981  -0.121
   79   1HB   ARG  11           HB2      ARG  11   1.901   9.959   0.116
   80   2HB   ARG  11           HB1      ARG  11   1.202   8.659   1.084
   81   1HG   ARG  11           HG2      ARG  11   3.579   8.162   1.884
   82   2HG   ARG  11           HG1      ARG  11   4.039   9.700   1.153
   83   1HD   ARG  11           HD2      ARG  11   2.422  10.888   2.543
   84   2HD   ARG  11           HD1      ARG  11   1.863   9.366   3.233
   85    HE   ARG  11           HE       ARG  11   4.599   9.400   3.753
   86   1HH1  ARG  11          HH21      ARG  11   1.892  11.459   4.288
   87   2HH1  ARG  11          HH22      ARG  11   2.523  12.132   5.755
   88   1HH2  ARG  11          HH11      ARG  11   5.454  10.286   5.658
   89   2HH2  ARG  11          HH12      ARG  11   4.536  11.469   6.527
   90    H    ALA  12           HN       ALA  12   2.886   9.619  -2.389
   91    HA   ALA  12           HA       ALA  12   0.265   9.347  -3.662
   92   1HB   ALA  12           HB1      ALA  12   2.770  10.846  -4.469
   93   2HB   ALA  12           HB3      ALA  12   1.234  10.942  -5.329
   94   3HB   ALA  12           HB2      ALA  12   1.354  11.522  -3.667
   95    H    ASP  13           HN       ASP  13   3.426   7.921  -4.031
   96    HA   ASP  13           HA       ASP  13   3.091   7.075  -6.776
   97   1HB   ASP  13           HB2      ASP  13   4.808   6.105  -4.502
   98   2HB   ASP  13           HB1      ASP  13   4.827   5.310  -6.076
   99    H    VAL  14           HN       VAL  14   1.924   6.065  -3.717
  100    HA   VAL  14           HA       VAL  14   1.145   3.374  -4.506
  101    HB   VAL  14           HB       VAL  14   0.386   5.164  -2.180
  102   1HG1  VAL  14          HG11      VAL  14  -0.520   2.367  -2.876
  103   2HG1  VAL  14          HG13      VAL  14  -0.519   2.962  -1.215
  104   3HG1  VAL  14          HG12      VAL  14  -1.510   3.758  -2.438
  105   1HG2  VAL  14          HG22      VAL  14   2.119   2.687  -2.427
  106   2HG2  VAL  14          HG21      VAL  14   2.688   4.333  -2.156
  107   3HG2  VAL  14          HG23      VAL  14   1.751   3.512  -0.912
  108    H    ILE  15           HN       ILE  15  -0.722   6.360  -3.797
  109    HA   ILE  15           HA       ILE  15  -3.127   5.236  -5.008
  110    HB   ILE  15           HB       ILE  15  -2.516   8.093  -4.202
  111   1HG1  ILE  15          HG12      ILE  15  -4.075   6.001  -2.658
  112   2HG1  ILE  15          HG11      ILE  15  -2.344   6.225  -2.424
  113   1HG2  ILE  15          HG22      ILE  15  -5.133   6.638  -4.726
  114   2HG2  ILE  15          HG21      ILE  15  -4.996   8.283  -4.107
  115   3HG2  ILE  15          HG23      ILE  15  -4.437   7.904  -5.735
  116   1HD1  ILE  15          HD12      ILE  15  -2.936   8.727  -2.046
  117   2HD1  ILE  15          HD11      ILE  15  -4.581   8.142  -1.810
  118   3HD1  ILE  15          HD13      ILE  15  -3.287   7.579  -0.758
  119    H    ALA  16           HN       ALA  16  -0.791   7.776  -6.010
  120    HA   ALA  16           HA       ALA  16  -2.077   8.482  -8.427
  121   1HB   ALA  16           HB2      ALA  16   0.030   9.536  -7.424
  122   2HB   ALA  16           HB1      ALA  16   0.924   8.206  -8.161
  123   3HB   ALA  16           HB3      ALA  16   0.025   9.334  -9.174
  124    H    GLY  17           HN       GLY  17   0.262   5.872  -7.791
  125   1HA   GLY  17           HA2      GLY  17   0.268   4.842 -10.474
  126   2HA   GLY  17           HA1      GLY  17   0.795   3.966  -9.037
  127    H    LEU  18           HN       LEU  18  -1.439   3.711  -7.530
  128    HA   LEU  18           HA       LEU  18  -2.913   1.636  -8.839
  129   1HB   LEU  18           HB2      LEU  18  -3.299   3.218  -6.299
  130   2HB   LEU  18           HB1      LEU  18  -4.516   2.052  -6.804
  131    HG   LEU  18           HG       LEU  18  -1.601   1.255  -6.659
  132   1HD1  LEU  18          HD13      LEU  18  -2.440   2.252  -4.429
  133   2HD1  LEU  18          HD12      LEU  18  -3.525   0.866  -4.359
  134   3HD1  LEU  18          HD11      LEU  18  -1.781   0.621  -4.383
  135   1HD2  LEU  18          HD22      LEU  18  -4.259  -0.201  -6.550
  136   2HD2  LEU  18          HD21      LEU  18  -2.974  -0.385  -7.744
  137   3HD2  LEU  18          HD23      LEU  18  -2.745  -0.977  -6.102
  138    H    LYS  19           HN       LYS  19  -4.017   4.879  -7.828
  139    HA   LYS  19           HA       LYS  19  -6.546   4.845  -9.074
  140   1HB   LYS  19           HB2      LYS  19  -5.476   6.597  -7.487
  141   2HB   LYS  19           HB1      LYS  19  -4.815   7.318  -8.953
  142   1HG   LYS  19           HG2      LYS  19  -7.096   7.523  -9.881
  143   2HG   LYS  19           HG1      LYS  19  -7.755   6.815  -8.406
  144   1HD   LYS  19           HD2      LYS  19  -6.588   8.686  -7.131
  145   2HD   LYS  19           HD1      LYS  19  -6.293   9.448  -8.694
  146   1HE   LYS  19           HE2      LYS  19  -8.892   9.006  -7.262
  147   2HE   LYS  19           HE1      LYS  19  -8.315  10.441  -8.109
  148   1HZ   LYS  19           HZ1      LYS  19  -8.521   9.154 -10.201
  149   2HZ   LYS  19           HZ3      LYS  19  -9.253   7.900  -9.326
  150   3HZ   LYS  19           HZ2      LYS  19 -10.005   9.422  -9.419
  151    H    LYS  20           HN       LYS  20  -3.444   4.884 -10.518
  152    HA   LYS  20           HA       LYS  20  -4.006   6.322 -12.905
  153   1HB   LYS  20           HB2      LYS  20  -1.716   5.430 -12.083
  154   2HB   LYS  20           HB1      LYS  20  -2.202   3.900 -12.806
  155   1HG   LYS  20           HG2      LYS  20  -1.081   4.870 -14.601
  156   2HG   LYS  20           HG1      LYS  20  -2.722   5.421 -14.924
  157   1HD   LYS  20           HD2      LYS  20  -2.215   7.556 -13.754
  158   2HD   LYS  20           HD1      LYS  20  -0.564   6.998 -13.483
  159   1HE   LYS  20           HE2      LYS  20  -1.838   7.277 -16.218
  160   2HE   LYS  20           HE1      LYS  20  -0.786   8.490 -15.487
  161   1HZ   LYS  20           HZ1      LYS  20   0.908   6.694 -15.266
  162   2HZ   LYS  20           HZ3      LYS  20  -0.090   5.700 -16.210
  163   3HZ   LYS  20           HZ2      LYS  20   0.548   7.130 -16.868
  164    H    ARG  21           HN       ARG  21  -4.776   3.097 -11.881
  165    HA   ARG  21           HA       ARG  21  -5.911   2.454 -14.559
  166   1HB   ARG  21           HB2      ARG  21  -5.389   0.866 -12.030
  167   2HB   ARG  21           HB1      ARG  21  -6.441   0.244 -13.303
  168   1HG   ARG  21           HG2      ARG  21  -4.676   0.246 -14.904
  169   2HG   ARG  21           HG1      ARG  21  -3.646   1.238 -13.876
  170   1HD   ARG  21           HD2      ARG  21  -3.147  -0.539 -12.428
  171   2HD   ARG  21           HD1      ARG  21  -4.570  -1.468 -12.916
  172    HE   ARG  21           HE       ARG  21  -3.125  -1.363 -15.239
  173   1HH1  ARG  21          HH21      ARG  21  -2.364  -2.117 -11.958
  174   2HH1  ARG  21          HH22      ARG  21  -1.174  -3.305 -12.370
  175   1HH2  ARG  21          HH11      ARG  21  -1.584  -2.914 -15.791
  176   2HH2  ARG  21          HH12      ARG  21  -0.734  -3.759 -14.539
  177    H    LYS  22           HN       LYS  22  -7.325   1.266 -11.619
  178    HA   LYS  22           HA       LYS  22  -9.371   3.356 -11.529
  179   1HB   LYS  22           HB2      LYS  22 -10.064   0.514 -12.370
  180   2HB   LYS  22           HB1      LYS  22 -11.256   1.674 -11.784
  181   1HG   LYS  22           HG2      LYS  22 -10.378   3.245 -13.633
  182   2HG   LYS  22           HG1      LYS  22  -9.600   1.812 -14.308
  183   1HD   LYS  22           HD2      LYS  22 -11.856   0.667 -14.240
  184   2HD   LYS  22           HD1      LYS  22 -12.562   2.227 -13.821
  185   1HE   LYS  22           HE2      LYS  22 -12.769   2.017 -16.197
  186   2HE   LYS  22           HE1      LYS  22 -11.449   3.153 -15.916
  187   1HZ   LYS  22           HZ1      LYS  22 -10.157   0.811 -15.919
  188   2HZ   LYS  22           HZ3      LYS  22 -11.390   0.488 -17.038
  189   3HZ   LYS  22           HZ2      LYS  22 -10.337   1.799 -17.289
  190    H    LEU  23           HN       LEU  23  -7.674   2.854  -9.515
  191    HA   LEU  23           HA       LEU  23  -9.341   1.337  -7.526
  192   1HB   LEU  23           HB2      LEU  23  -6.352   1.237  -7.931
  193   2HB   LEU  23           HB1      LEU  23  -7.132   0.673  -6.459
  194    HG   LEU  23           HG       LEU  23  -7.698  -0.380  -9.249
  195   1HD1  LEU  23          HD11      LEU  23  -5.436  -0.921  -8.432
  196   2HD1  LEU  23          HD13      LEU  23  -6.126  -1.540  -6.930
  197   3HD1  LEU  23          HD12      LEU  23  -6.453  -2.363  -8.459
  198   1HD2  LEU  23          HD23      LEU  23  -8.831  -0.942  -6.512
  199   2HD2  LEU  23          HD22      LEU  23  -9.656  -0.892  -8.067
  200   3HD2  LEU  23          HD21      LEU  23  -8.667  -2.285  -7.642
  201    H    SER  24           HN       SER  24  -9.273   2.141  -5.409
  202    HA   SER  24           HA       SER  24  -7.615   4.497  -4.791
  203   1HB   SER  24           HB2      SER  24  -9.651   5.789  -4.039
  204   2HB   SER  24           HB1      SER  24  -9.523   5.597  -5.786
  205    HG   SER  24           HG       SER  24 -10.802   3.490  -4.914
  206    H    LEU  25           HN       LEU  25  -7.118   4.486  -2.590
  207    HA   LEU  25           HA       LEU  25  -7.439   2.247  -0.996
  208   1HB   LEU  25           HB2      LEU  25  -7.431   5.104   0.005
  209   2HB   LEU  25           HB1      LEU  25  -7.057   3.680   0.976
  210    HG   LEU  25           HG       LEU  25  -5.518   4.179  -1.571
  211   1HD1  LEU  25          HD11      LEU  25  -5.115   5.547   1.098
  212   2HD1  LEU  25          HD13      LEU  25  -3.816   5.368  -0.084
  213   3HD1  LEU  25          HD12      LEU  25  -5.259   6.293  -0.493
  214   1HD2  LEU  25          HD21      LEU  25  -5.259   2.038  -0.299
  215   2HD2  LEU  25          HD23      LEU  25  -3.765   2.971  -0.350
  216   3HD2  LEU  25          HD22      LEU  25  -4.753   2.965   1.112
  217    H    SER  26           HN       SER  26  -9.734   4.934  -1.273
  218    HA   SER  26           HA       SER  26 -11.509   4.100   0.792
  219   1HB   SER  26           HB2      SER  26 -11.574   6.305  -0.444
  220   2HB   SER  26           HB1      SER  26 -12.292   5.446  -1.803
  221    HG   SER  26           HG       SER  26 -14.085   5.815  -0.765
  222    H    ALA  27           HN       ALA  27 -11.173   3.063  -2.557
  223    HA   ALA  27           HA       ALA  27 -13.628   1.525  -2.588
  224   1HB   ALA  27           HB1      ALA  27 -11.157   1.441  -4.337
  225   2HB   ALA  27           HB3      ALA  27 -12.617   0.504  -4.653
  226   3HB   ALA  27           HB2      ALA  27 -12.673   2.267  -4.686
  227    H    LEU  28           HN       LEU  28 -10.182   0.592  -2.288
  228    HA   LEU  28           HA       LEU  28 -10.716  -2.188  -1.894
  229   1HB   LEU  28           HB2      LEU  28  -8.342  -1.216  -0.411
  230   2HB   LEU  28           HB1      LEU  28  -8.444  -2.411  -1.699
  231    HG   LEU  28           HG       LEU  28  -8.547   0.585  -2.156
  232   1HD1  LEU  28          HD11      LEU  28  -6.275  -1.393  -2.199
  233   2HD1  LEU  28          HD13      LEU  28  -6.216   0.104  -3.128
  234   3HD1  LEU  28          HD12      LEU  28  -6.359   0.162  -1.374
  235   1HD2  LEU  28          HD21      LEU  28  -9.616  -0.944  -3.868
  236   2HD2  LEU  28          HD23      LEU  28  -8.263   0.009  -4.480
  237   3HD2  LEU  28          HD22      LEU  28  -8.035  -1.695  -4.078
  238    H    SER  29           HN       SER  29 -10.833   0.558   0.261
  239    HA   SER  29           HA       SER  29 -10.731  -0.864   2.750
  240   1HB   SER  29           HB2      SER  29 -11.421   1.151   3.744
  241   2HB   SER  29           HB1      SER  29 -10.607   1.689   2.277
  242    HG   SER  29           HG       SER  29 -12.919   2.417   2.911
  243    H    ARG  30           HN       ARG  30 -13.575   0.433   0.976
  244    HA   ARG  30           HA       ARG  30 -15.470  -0.922   2.661
  245   1HB   ARG  30           HB2      ARG  30 -17.135  -0.234   0.962
  246   2HB   ARG  30           HB1      ARG  30 -16.077   1.101   1.415
  247   1HG   ARG  30           HG2      ARG  30 -14.683   0.672  -0.581
  248   2HG   ARG  30           HG1      ARG  30 -15.755  -0.650  -1.043
  249   1HD   ARG  30           HD2      ARG  30 -16.602   2.244  -0.720
  250   2HD   ARG  30           HD1      ARG  30 -16.305   1.438  -2.260
  251    HE   ARG  30           HE       ARG  30 -18.183  -0.177  -1.011
  252   1HH1  ARG  30          HH21      ARG  30 -17.869   3.167  -1.782
  253   2HH1  ARG  30          HH22      ARG  30 -19.571   3.415  -1.993
  254   1HH2  ARG  30          HH11      ARG  30 -20.410   0.124  -1.286
  255   2HH2  ARG  30          HH12      ARG  30 -21.009   1.689  -1.723
  256    H    GLN  31           HN       GLN  31 -13.614  -2.004  -0.050
  257    HA   GLN  31           HA       GLN  31 -15.423  -4.003  -1.021
  258   1HB   GLN  31           HB2      GLN  31 -12.457  -3.560  -1.210
  259   2HB   GLN  31           HB1      GLN  31 -13.130  -5.089  -1.765
  260   1HG   GLN  31           HG2      GLN  31 -14.554  -3.982  -3.357
  261   2HG   GLN  31           HG1      GLN  31 -14.165  -2.395  -2.689
  262   1HE2  GLN  31          HE22      GLN  31 -10.711  -3.856  -4.165
  263   2HE2  GLN  31          HE21      GLN  31 -11.427  -4.468  -2.751
  264    H    PHE  32           HN       PHE  32 -13.055  -4.049   1.634
  265    HA   PHE  32           HA       PHE  32 -13.766  -6.917   2.157
  266   1HB   PHE  32           HB2      PHE  32 -11.450  -5.199   3.089
  267   2HB   PHE  32           HB1      PHE  32 -11.780  -6.819   3.710
  268    HD1  PHE  32           HD1      PHE  32 -10.997  -4.885   0.621
  269    HD2  PHE  32           HD2      PHE  32 -11.273  -8.781   2.446
  270    HE1  PHE  32           HE1      PHE  32  -9.902  -5.900  -1.371
  271    HE2  PHE  32           HE2      PHE  32 -10.173  -9.794   0.455
  272    HZ   PHE  32           HZ       PHE  32  -9.490  -8.352  -1.454
  273    H    GLY  33           HN       GLY  33 -13.766  -3.698   3.668
  274   1HA   GLY  33           HA2      GLY  33 -15.862  -3.503   5.185
  275   2HA   GLY  33           HA1      GLY  33 -15.167  -4.876   6.040
  276    H    TYR  34           HN       TYR  34 -12.443  -4.114   6.036
  277    HA   TYR  34           HA       TYR  34 -12.221  -2.590   8.337
  278   1HB   TYR  34           HB2      TYR  34 -10.170  -2.333   6.142
  279   2HB   TYR  34           HB1      TYR  34  -9.916  -2.350   7.887
  280    HD1  TYR  34           HD2      TYR  34 -11.378  -4.630   8.899
  281    HD2  TYR  34           HD1      TYR  34  -9.202  -4.239   5.199
  282    HE1  TYR  34           HE2      TYR  34 -11.077  -7.092   8.817
  283    HE2  TYR  34           HE1      TYR  34  -8.907  -6.702   5.124
  284    HH   TYR  34           HH       TYR  34 -10.164  -8.797   7.739
  285    H    ALA  35           HN       ALA  35 -12.650  -0.535   8.841
  286    HA   ALA  35           HA       ALA  35 -13.748   1.369   7.119
  287   1HB   ALA  35           HB1      ALA  35 -12.497   1.405   9.820
  288   2HB   ALA  35           HB3      ALA  35 -12.637   2.975   9.032
  289   3HB   ALA  35           HB2      ALA  35 -14.078   2.001   9.322
  290    HA   PRO  36           HA       PRO  36 -10.464   3.071   4.721
  291   1HB   PRO  36           HB2      PRO  36 -10.932   5.866   5.371
  292   2HB   PRO  36           HB1      PRO  36 -11.374   5.001   3.892
  293   1HG   PRO  36           HG2      PRO  36 -13.131   5.864   6.030
  294   2HG   PRO  36           HG1      PRO  36 -13.571   5.037   4.530
  295   1HD   PRO  36           HD2      PRO  36 -13.580   3.927   7.178
  296   2HD   PRO  36           HD1      PRO  36 -13.904   3.079   5.654
  297    H    THR  37           HN       THR  37 -10.790   4.000   8.086
  298    HA   THR  37           HA       THR  37  -8.262   5.322   8.387
  299    HB   THR  37           HB       THR  37  -8.525   4.881  10.787
  300    HG1  THR  37           HG1      THR  37 -10.587   3.657  11.235
  301   1HG2  THR  37          HG23      THR  37  -9.901   6.654   9.702
  302   2HG2  THR  37          HG22      THR  37 -11.200   5.478   9.500
  303   3HG2  THR  37          HG21      THR  37 -10.684   5.952  11.118
  304    H    THR  38           HN       THR  38  -9.191   1.928   9.087
  305    HA   THR  38           HA       THR  38  -6.640   0.985   9.826
  306    HB   THR  38           HB       THR  38  -9.023  -0.317   8.512
  307    HG1  THR  38           HG1      THR  38  -9.227  -1.196  10.514
  308   1HG2  THR  38          HG23      THR  38  -6.317  -1.553   9.039
  309   2HG2  THR  38          HG22      THR  38  -7.792  -2.522   9.021
  310   3HG2  THR  38          HG21      THR  38  -7.296  -1.645   7.573
  311    H    LEU  39           HN       LEU  39  -8.108   0.616   6.584
  312    HA   LEU  39           HA       LEU  39  -5.853  -0.289   5.225
  313   1HB   LEU  39           HB2      LEU  39  -8.215   0.003   4.333
  314   2HB   LEU  39           HB1      LEU  39  -7.825   1.702   4.091
  315    HG   LEU  39           HG       LEU  39  -5.906   1.019   2.654
  316   1HD1  LEU  39          HD12      LEU  39  -6.922  -1.709   3.407
  317   2HD1  LEU  39          HD11      LEU  39  -6.290  -1.485   1.776
  318   3HD1  LEU  39          HD13      LEU  39  -5.263  -1.162   3.172
  319   1HD2  LEU  39          HD21      LEU  39  -8.192   1.578   1.793
  320   2HD2  LEU  39          HD23      LEU  39  -7.275   0.518   0.731
  321   3HD2  LEU  39          HD22      LEU  39  -8.549  -0.148   1.753
  322    H    ALA  40           HN       ALA  40  -6.823   3.124   5.691
  323    HA   ALA  40           HA       ALA  40  -4.649   4.317   4.339
  324   1HB   ALA  40           HB3      ALA  40  -6.278   5.215   6.723
  325   2HB   ALA  40           HB2      ALA  40  -5.025   6.232   6.010
  326   3HB   ALA  40           HB1      ALA  40  -6.418   5.747   5.047
  327    H    ASN  41           HN       ASN  41  -4.893   4.040   7.892
  328    HA   ASN  41           HA       ASN  41  -2.154   4.551   8.401
  329   1HB   ASN  41           HB2      ASN  41  -3.979   2.829  10.099
  330   2HB   ASN  41           HB1      ASN  41  -2.570   3.748  10.636
  331   1HD2  ASN  41          HD22      ASN  41  -6.073   5.584  10.726
  332   2HD2  ASN  41          HD21      ASN  41  -5.847   3.901  10.759
  333    H    ALA  42           HN       ALA  42  -3.521   1.784   6.949
  334    HA   ALA  42           HA       ALA  42  -1.667  -0.165   8.038
  335   1HB   ALA  42           HB1      ALA  42  -3.853  -0.744   6.891
  336   2HB   ALA  42           HB3      ALA  42  -3.083  -0.307   5.364
  337   3HB   ALA  42           HB2      ALA  42  -2.456  -1.651   6.313
  338    H    LEU  43           HN       LEU  43  -0.917   2.522   6.514
  339    HA   LEU  43           HA       LEU  43   0.872   1.469   4.435
  340   1HB   LEU  43           HB2      LEU  43   0.413   4.244   5.557
  341   2HB   LEU  43           HB1      LEU  43   1.583   3.900   4.282
  342    HG   LEU  43           HG       LEU  43  -1.287   3.003   3.973
  343   1HD1  LEU  43          HD11      LEU  43  -1.382   5.399   4.546
  344   2HD1  LEU  43          HD13      LEU  43  -0.197   5.751   3.289
  345   3HD1  LEU  43          HD12      LEU  43  -1.793   5.140   2.850
  346   1HD2  LEU  43          HD21      LEU  43   0.931   3.809   2.055
  347   2HD2  LEU  43          HD23      LEU  43   0.305   2.182   2.316
  348   3HD2  LEU  43          HD22      LEU  43  -0.709   3.403   1.556
  349    H    GLU  44           HN       GLU  44   1.096   2.551   7.780
  350    HA   GLU  44           HA       GLU  44   3.988   1.785   7.753
  351   1HB   GLU  44           HB2      GLU  44   4.257   3.669   9.505
  352   2HB   GLU  44           HB1      GLU  44   4.138   4.131   7.809
  353   1HG   GLU  44           HG2      GLU  44   2.693   5.562   9.173
  354   2HG   GLU  44           HG1      GLU  44   1.713   4.559   8.110
  355    H    ARG  45           HN       ARG  45   0.943   1.336   9.134
  356    HA   ARG  45           HA       ARG  45   1.833   0.755  11.847
  357   1HB   ARG  45           HB2      ARG  45  -0.562   1.354  11.103
  358   2HB   ARG  45           HB1      ARG  45  -0.681  -0.315  10.543
  359   1HG   ARG  45           HG2      ARG  45  -1.529  -0.458  12.719
  360   2HG   ARG  45           HG1      ARG  45   0.152  -0.925  12.949
  361   1HD   ARG  45           HD2      ARG  45   0.284   1.831  13.233
  362   2HD   ARG  45           HD1      ARG  45  -1.284   1.468  13.946
  363    HE   ARG  45           HE       ARG  45   1.158   1.088  15.255
  364   1HH1  ARG  45          HH21      ARG  45  -1.536  -0.880  14.349
  365   2HH1  ARG  45          HH22      ARG  45  -1.238  -2.064  15.571
  366   1HH2  ARG  45          HH11      ARG  45   1.534  -0.441  16.855
  367   2HH2  ARG  45          HH12      ARG  45   0.486  -1.814  16.989
  368    H    HIS  46           HN       HIS  46   2.051  -1.387  12.756
  369    HA   HIS  46           HA       HIS  46   3.355  -3.257  10.979
  370   1HB   HIS  46           HB2      HIS  46   3.916  -3.028  13.400
  371   2HB   HIS  46           HB1      HIS  46   2.343  -3.726  13.801
  372    HD1  HIS  46           HD1      HIS  46   5.742  -4.610  12.553
  373    HD2  HIS  46           HD2      HIS  46   2.072  -6.510  13.098
  374    HE1  HIS  46           HE1      HIS  46   6.182  -7.097  12.325
  375    H    TRP  47           HN       TRP  47   1.773  -3.811   9.381
  376    HA   TRP  47           HA       TRP  47   0.084  -6.042  10.127
  377   1HB   TRP  47           HB2      TRP  47  -1.317  -4.062  10.817
  378   2HB   TRP  47           HB1      TRP  47  -1.317  -3.541   9.135
  379    HD1  TRP  47           HD1      TRP  47  -1.841  -7.108  10.602
  380    HE1  TRP  47           HE1      TRP  47  -4.053  -8.023   9.673
  381    HE3  TRP  47           HE3      TRP  47  -3.454  -3.020   7.976
  382    HZ2  TRP  47           HZ2      TRP  47  -6.236  -7.153   8.042
  383    HZ3  TRP  47           HZ3      TRP  47  -5.614  -3.092   6.748
  384    HH2  TRP  47           HH2      TRP  47  -7.008  -5.151   6.782
  385    HA   PRO  48           HA       PRO  48   1.891  -5.742   5.832
  386   1HB   PRO  48           HB2      PRO  48   2.428  -8.612   6.198
  387   2HB   PRO  48           HB1      PRO  48   3.567  -7.302   5.843
  388   1HG   PRO  48           HG2      PRO  48   3.337  -8.631   8.321
  389   2HG   PRO  48           HG1      PRO  48   4.162  -7.084   8.056
  390   1HD   PRO  48           HD2      PRO  48   1.579  -7.592   9.383
  391   2HD   PRO  48           HD1      PRO  48   2.579  -6.118   9.416
  392    H    LYS  49           HN       LYS  49  -0.593  -7.601   7.381
  393    HA   LYS  49           HA       LYS  49  -1.468  -9.010   5.007
  394   1HB   LYS  49           HB2      LYS  49  -2.088  -9.820   7.244
  395   2HB   LYS  49           HB1      LYS  49  -2.973  -8.330   7.556
  396   1HG   LYS  49           HG2      LYS  49  -4.486 -10.177   6.884
  397   2HG   LYS  49           HG1      LYS  49  -4.537  -8.842   5.738
  398   1HD   LYS  49           HD2      LYS  49  -3.328 -10.018   4.105
  399   2HD   LYS  49           HD1      LYS  49  -2.632 -11.135   5.280
  400   1HE   LYS  49           HE2      LYS  49  -5.600 -11.055   4.708
  401   2HE   LYS  49           HE1      LYS  49  -4.495 -12.051   3.762
  402   1HZ   LYS  49           HZ1      LYS  49  -3.883 -12.482   6.431
  403   2HZ   LYS  49           HZ3      LYS  49  -5.573 -12.554   6.317
  404   3HZ   LYS  49           HZ2      LYS  49  -4.614 -13.565   5.346
  405    H    GLY  50           HN       GLY  50  -1.896  -5.799   6.252
  406   1HA   GLY  50           HA2      GLY  50  -4.266  -5.171   4.663
  407   2HA   GLY  50           HA1      GLY  50  -3.243  -4.000   5.502
  408    H    GLU  51           HN       GLU  51  -0.782  -5.075   4.224
  409    HA   GLU  51           HA       GLU  51  -0.828  -3.409   1.854
  410   1HB   GLU  51           HB2      GLU  51   1.243  -5.492   2.613
  411   2HB   GLU  51           HB1      GLU  51   1.475  -4.087   1.570
  412   1HG   GLU  51           HG2      GLU  51   0.868  -2.631   3.544
  413   2HG   GLU  51           HG1      GLU  51   0.908  -4.081   4.544
  414    H    GLN  52           HN       GLN  52  -1.255  -6.796   2.581
  415    HA   GLN  52           HA       GLN  52  -0.985  -7.859  -0.064
  416   1HB   GLN  52           HB2      GLN  52  -2.759  -8.755   2.234
  417   2HB   GLN  52           HB1      GLN  52  -2.414  -9.714   0.798
  418   1HG   GLN  52           HG2      GLN  52  -0.169  -8.633   2.506
  419   2HG   GLN  52           HG1      GLN  52  -0.981 -10.139   2.931
  420   1HE2  GLN  52          HE22      GLN  52   0.301 -10.656  -0.840
  421   2HE2  GLN  52          HE21      GLN  52  -1.020  -9.664  -0.447
  422    H    ILE  53           HN       ILE  53  -3.717  -6.430   1.718
  423    HA   ILE  53           HA       ILE  53  -5.779  -6.879  -0.154
  424    HB   ILE  53           HB       ILE  53  -5.296  -4.429   1.578
  425   1HG1  ILE  53          HG12      ILE  53  -7.052  -6.863   2.050
  426   2HG1  ILE  53          HG11      ILE  53  -5.444  -6.656   2.749
  427   1HG2  ILE  53          HG23      ILE  53  -7.823  -5.402   0.203
  428   2HG2  ILE  53          HG22      ILE  53  -7.746  -4.073   1.361
  429   3HG2  ILE  53          HG21      ILE  53  -6.931  -3.932  -0.194
  430   1HD1  ILE  53          HD12      ILE  53  -6.449  -4.349   3.596
  431   2HD1  ILE  53          HD11      ILE  53  -7.990  -5.178   3.376
  432   3HD1  ILE  53          HD13      ILE  53  -6.783  -5.837   4.476
  433    H    ILE  54           HN       ILE  54  -3.531  -4.084   0.008
  434    HA   ILE  54           HA       ILE  54  -4.484  -2.874  -2.421
  435    HB   ILE  54           HB       ILE  54  -1.841  -2.649  -0.953
  436   1HG1  ILE  54          HG12      ILE  54  -4.180  -0.732  -1.176
  437   2HG1  ILE  54          HG11      ILE  54  -3.986  -1.874   0.154
  438   1HG2  ILE  54          HG22      ILE  54  -2.908  -1.202  -3.385
  439   2HG2  ILE  54          HG21      ILE  54  -1.695  -0.474  -2.332
  440   3HG2  ILE  54          HG23      ILE  54  -1.339  -1.977  -3.179
  441   1HD1  ILE  54          HD11      ILE  54  -1.546  -0.726   0.281
  442   2HD1  ILE  54          HD13      ILE  54  -2.430   0.619  -0.443
  443   3HD1  ILE  54          HD12      ILE  54  -2.941  -0.037   1.109
  444    H    ALA  55           HN       ALA  55  -1.492  -4.782  -1.836
  445    HA   ALA  55           HA       ALA  55  -0.706  -4.902  -4.563
  446   1HB   ALA  55           HB2      ALA  55   0.577  -5.582  -2.390
  447   2HB   ALA  55           HB1      ALA  55  -0.156  -7.165  -2.648
  448   3HB   ALA  55           HB3      ALA  55   0.899  -6.470  -3.880
  449    H    ASN  56           HN       ASN  56  -3.115  -6.702  -2.808
  450    HA   ASN  56           HA       ASN  56  -3.330  -8.990  -4.497
  451   1HB   ASN  56           HB2      ASN  56  -4.513  -8.874  -2.360
  452   2HB   ASN  56           HB1      ASN  56  -5.484  -7.523  -2.941
  453   1HD2  ASN  56          HD22      ASN  56  -7.739 -10.291  -3.550
  454   2HD2  ASN  56          HD21      ASN  56  -7.256  -9.236  -2.312
  455    H    ALA  57           HN       ALA  57  -5.057  -5.876  -4.610
  456    HA   ALA  57           HA       ALA  57  -6.532  -6.432  -6.987
  457   1HB   ALA  57           HB3      ALA  57  -6.860  -4.554  -5.251
  458   2HB   ALA  57           HB2      ALA  57  -5.633  -3.676  -6.161
  459   3HB   ALA  57           HB1      ALA  57  -7.144  -4.146  -6.943
  460    H    LEU  58           HN       LEU  58  -3.196  -5.622  -6.566
  461    HA   LEU  58           HA       LEU  58  -2.931  -4.677  -9.375
  462   1HB   LEU  58           HB2      LEU  58  -1.204  -4.720  -6.928
  463   2HB   LEU  58           HB1      LEU  58  -0.374  -4.770  -8.478
  464    HG   LEU  58           HG       LEU  58  -2.526  -2.712  -7.955
  465   1HD1  LEU  58          HD12      LEU  58   0.417  -2.507  -7.246
  466   2HD1  LEU  58          HD11      LEU  58  -0.715  -1.155  -7.248
  467   3HD1  LEU  58          HD13      LEU  58  -0.933  -2.488  -6.111
  468   1HD2  LEU  58          HD21      LEU  58  -0.129  -2.922  -9.809
  469   2HD2  LEU  58          HD23      LEU  58  -1.834  -2.833 -10.255
  470   3HD2  LEU  58          HD22      LEU  58  -1.026  -1.426  -9.571
  471    H    GLU  59           HN       GLU  59  -3.205  -7.600  -7.887
  472    HA   GLU  59           HA       GLU  59  -2.620  -9.787  -8.517
  473   1HB   GLU  59           HB2      GLU  59  -3.400  -8.731 -10.765
  474   2HB   GLU  59           HB1      GLU  59  -1.684  -8.640 -11.154
  475   1HG   GLU  59           HG2      GLU  59  -1.446 -11.050 -10.877
  476   2HG   GLU  59           HG1      GLU  59  -3.116 -11.185 -10.326
  477    H    THR  60           HN       THR  60  -0.537  -7.525  -7.729
  478    HA   THR  60           HA       THR  60   1.922  -9.094  -8.447
  479    HB   THR  60           HB       THR  60   1.737  -6.628  -9.144
  480    HG1  THR  60           HG1      THR  60   3.877  -6.384  -8.778
  481   1HG2  THR  60          HG22      THR  60   0.751  -6.011  -6.837
  482   2HG2  THR  60          HG21      THR  60   2.415  -6.086  -6.255
  483   3HG2  THR  60          HG23      THR  60   1.973  -4.932  -7.513
  484    H    LYS  61           HN       LYS  61   3.660  -8.310  -6.507
  485    HA   LYS  61           HA       LYS  61   2.406  -9.391  -4.022
  486   1HB   LYS  61           HB2      LYS  61   5.326  -9.253  -4.821
  487   2HB   LYS  61           HB1      LYS  61   4.699 -10.029  -3.371
  488   1HG   LYS  61           HG2      LYS  61   3.711 -11.783  -4.561
  489   2HG   LYS  61           HG1      LYS  61   3.633 -10.869  -6.063
  490   1HD   LYS  61           HD2      LYS  61   6.330 -11.512  -4.880
  491   2HD   LYS  61           HD1      LYS  61   5.457 -12.760  -5.768
  492   1HE   LYS  61           HE2      LYS  61   5.901 -10.001  -6.926
  493   2HE   LYS  61           HE1      LYS  61   7.070 -11.303  -7.132
  494   1HZ   LYS  61           HZ3      LYS  61   4.768 -12.518  -7.771
  495   2HZ   LYS  61           HZ2      LYS  61   4.473 -10.945  -8.339
  496   3HZ   LYS  61           HZ1      LYS  61   5.823 -11.816  -8.896
  497    HA   PRO  62           HA       PRO  62   2.960  -5.416  -2.103
  498   1HB   PRO  62           HB2      PRO  62   3.796  -6.375   0.476
  499   2HB   PRO  62           HB1      PRO  62   2.156  -5.919  -0.013
  500   1HG   PRO  62           HG2      PRO  62   3.255  -8.611   0.401
  501   2HG   PRO  62           HG1      PRO  62   1.565  -8.127   0.191
  502   1HD   PRO  62           HD2      PRO  62   3.177  -9.475  -1.725
  503   2HD   PRO  62           HD1      PRO  62   1.587  -8.737  -2.016
  504    H    GLU  63           HN       GLU  63   5.421  -7.888  -2.003
  505    HA   GLU  63           HA       GLU  63   7.612  -6.363  -1.003
  506   1HB   GLU  63           HB2      GLU  63   7.800  -8.544  -3.094
  507   2HB   GLU  63           HB1      GLU  63   9.005  -8.098  -1.883
  508   1HG   GLU  63           HG2      GLU  63   7.152  -8.680  -0.144
  509   2HG   GLU  63           HG1      GLU  63   6.374  -9.524  -1.484
  510    H    VAL  64           HN       VAL  64   5.831  -5.928  -3.848
  511    HA   VAL  64           HA       VAL  64   8.113  -4.858  -5.416
  512    HB   VAL  64           HB       VAL  64   5.152  -4.833  -6.086
  513   1HG1  VAL  64          HG13      VAL  64   6.665  -3.260  -7.343
  514   2HG1  VAL  64          HG12      VAL  64   7.598  -4.659  -7.875
  515   3HG1  VAL  64          HG11      VAL  64   5.912  -4.483  -8.364
  516   1HG2  VAL  64          HG22      VAL  64   7.320  -6.858  -6.728
  517   2HG2  VAL  64          HG21      VAL  64   5.870  -7.140  -5.764
  518   3HG2  VAL  64          HG23      VAL  64   5.730  -6.828  -7.494
  519    H    ILE  65           HN       ILE  65   5.358  -3.731  -3.517
  520    HA   ILE  65           HA       ILE  65   5.796  -0.927  -4.317
  521    HB   ILE  65           HB       ILE  65   3.934  -2.151  -2.276
  522   1HG1  ILE  65          HG12      ILE  65   3.054  -0.931  -4.883
  523   2HG1  ILE  65          HG11      ILE  65   3.731  -2.560  -4.910
  524   1HG2  ILE  65          HG22      ILE  65   4.283   0.655  -3.316
  525   2HG2  ILE  65          HG21      ILE  65   2.783   0.119  -2.567
  526   3HG2  ILE  65          HG23      ILE  65   4.278   0.115  -1.635
  527   1HD1  ILE  65          HD13      ILE  65   1.436  -1.704  -3.114
  528   2HD1  ILE  65          HD12      ILE  65   1.244  -2.550  -4.649
  529   3HD1  ILE  65          HD11      ILE  65   2.073  -3.337  -3.307
  530    H    TRP  66           HN       TRP  66   6.682  -3.099  -1.729
  531    HA   TRP  66           HA       TRP  66   8.242  -0.883  -0.433
  532   1HB   TRP  66           HB2      TRP  66   6.660  -3.079   0.950
  533   2HB   TRP  66           HB1      TRP  66   7.797  -2.011   1.764
  534    HD1  TRP  66           HD1      TRP  66   7.179   0.606   1.867
  535    HE1  TRP  66           HE1      TRP  66   4.900   1.809   1.783
  536    HE3  TRP  66           HE3      TRP  66   4.283  -3.173   0.029
  537    HZ2  TRP  66           HZ2      TRP  66   2.186   1.239   1.031
  538    HZ3  TRP  66           HZ3      TRP  66   1.852  -2.828  -0.365
  539    HH2  TRP  66           HH2      TRP  66   0.802  -0.627   0.135
  540    HA   PRO  67           HA       PRO  67  10.767  -4.659  -1.581
  541   1HB   PRO  67           HB2      PRO  67  12.739  -3.193  -2.949
  542   2HB   PRO  67           HB1      PRO  67  11.359  -4.012  -3.702
  543   1HG   PRO  67           HG2      PRO  67  11.783  -1.112  -3.281
  544   2HG   PRO  67           HG1      PRO  67  10.668  -1.929  -4.388
  545   1HD   PRO  67           HD2      PRO  67   9.990  -0.663  -1.914
  546   2HD   PRO  67           HD1      PRO  67   8.930  -1.662  -2.925
  547    H    SER  68           HN       SER  68  12.318  -1.483  -0.956
  548    HA   SER  68           HA       SER  68  14.570  -2.575   0.410
  549   1HB   SER  68           HB2      SER  68  15.062  -0.421  -0.206
  550   2HB   SER  68           HB1      SER  68  13.393   0.111  -0.021
  551    HG   SER  68           HG       SER  68  13.735   0.506   2.059
  552    H    ARG  69           HN       ARG  69  11.498  -2.830   1.473
  553    HA   ARG  69           HA       ARG  69  12.160  -2.315   4.349
  554   1HB   ARG  69           HB2      ARG  69   9.533  -2.896   2.965
  555   2HB   ARG  69           HB1      ARG  69   9.705  -2.691   4.705
  556   1HG   ARG  69           HG2      ARG  69  10.742  -0.546   2.852
  557   2HG   ARG  69           HG1      ARG  69   9.018  -0.628   3.205
  558   1HD   ARG  69           HD2      ARG  69  11.220  -0.421   5.285
  559   2HD   ARG  69           HD1      ARG  69  10.170   0.894   4.769
  560    HE   ARG  69           HE       ARG  69   8.418  -1.105   5.585
  561   1HH1  ARG  69          HH21      ARG  69  11.113   0.585   6.914
  562   2HH1  ARG  69          HH22      ARG  69  10.542   0.485   8.546
  563   1HH2  ARG  69          HH11      ARG  69   7.656  -1.255   7.708
  564   2HH2  ARG  69          HH12      ARG  69   8.579  -0.554   8.997
  565    H    TYR  70           HN       TYR  70  11.750  -4.836   2.033
  566    HA   TYR  70           HA       TYR  70  11.565  -6.918   4.200
  567   1HB   TYR  70           HB2      TYR  70  10.837  -6.873   1.262
  568   2HB   TYR  70           HB1      TYR  70  11.100  -8.403   2.094
  569    HD1  TYR  70           HD2      TYR  70   9.759  -8.869   4.250
  570    HD2  TYR  70           HD1      TYR  70   8.794  -5.749   1.472
  571    HE1  TYR  70           HE2      TYR  70   7.455  -8.750   5.188
  572    HE2  TYR  70           HE1      TYR  70   6.490  -5.606   2.400
  573    HH   TYR  70           HH       TYR  70   5.346  -6.180   4.567
  574    H    GLN  71           HN       GLN  71  13.536  -7.824   4.687
  575    HA   GLN  71           HA       GLN  71  15.322  -8.675   2.544
  576   1HB   GLN  71           HB2      GLN  71  17.194  -7.300   3.024
  577   2HB   GLN  71           HB1      GLN  71  15.825  -6.197   2.938
  578   1HG   GLN  71           HG2      GLN  71  15.642  -6.524   5.497
  579   2HG   GLN  71           HG1      GLN  71  17.266  -7.204   5.394
  580   1HE2  GLN  71          HE22      GLN  71  18.437  -3.877   5.755
  581   2HE2  GLN  71          HE21      GLN  71  18.348  -5.424   6.448
  582    H    ALA  72           HN       ALA  72  13.851  -9.560   5.110
  583    HA   ALA  72           HA       ALA  72  15.871 -11.480   5.929
  584   1HB   ALA  72           HB2      ALA  72  16.437  -9.356   7.241
  585   2HB   ALA  72           HB1      ALA  72  14.906  -9.590   8.084
  586   3HB   ALA  72           HB3      ALA  72  16.175 -10.812   8.200
  587    H    GLY  73           HN       GLY  73  12.953 -11.050   5.039
  588   1HA   GLY  73           HA2      GLY  73  11.542 -12.494   7.242
  589   2HA   GLY  73           HA1      GLY  73  10.761 -11.687   5.879
  590    H    GLU  74           HN       GLU  74  13.382 -13.202   4.616
  591    HA   GLU  74           HA       GLU  74  11.719 -15.435   3.601
  592   1HB   GLU  74           HB2      GLU  74  12.968 -14.120   1.955
  593   2HB   GLU  74           HB1      GLU  74  14.478 -14.454   2.807
  594   1HG   GLU  74           HG2      GLU  74  14.377 -16.778   2.280
  595   2HG   GLU  74           HG1      GLU  74  12.698 -16.660   1.754
   
  No H/Q in entry =         595
  Start of MODEL          19
 Raw file had  612 H/Q atoms
  Start of MODEL   19
    1   1H    CYS   1           HT2      CYS   1  15.286  14.836   9.450
    2   2H    CYS   1           HT1      CYS   1  13.989  14.482  10.487
    3   3H    CYS   1           HT3      CYS   1  15.584  14.341  11.047
    4    HA   CYS   1           HA       CYS   1  15.935  12.356  10.058
    5   1HB   CYS   1           HB2      CYS   1  13.839  11.013  10.069
    6   2HB   CYS   1           HB1      CYS   1  13.982  12.027  11.506
    7    HG   CYS   1           HG       CYS   1  12.459  13.609   9.507
    8    H    SER   2           HN       SER   2  15.543  10.893   8.172
    9    HA   SER   2           HA       SER   2  14.150  12.014   5.849
   10   1HB   SER   2           HB2      SER   2  17.171  11.848   5.953
   11   2HB   SER   2           HB1      SER   2  16.265  11.953   4.447
   12    HG   SER   2           HG       SER   2  16.790  14.022   5.074
   13    H    ASN   3           HN       ASN   3  14.055   9.551   7.436
   14    HA   ASN   3           HA       ASN   3  15.163   7.492   5.597
   15   1HB   ASN   3           HB2      ASN   3  14.067   5.962   7.422
   16   2HB   ASN   3           HB1      ASN   3  15.532   6.853   7.827
   17   1HD2  ASN   3          HD22      ASN   3  12.079   8.624   9.184
   18   2HD2  ASN   3          HD21      ASN   3  12.153   8.070   7.581
   19    H    GLU   4           HN       GLU   4  12.265   9.205   6.180
   20    HA   GLU   4           HA       GLU   4  10.402   7.161   5.335
   21   1HB   GLU   4           HB2      GLU   4   8.758   8.936   5.256
   22   2HB   GLU   4           HB1      GLU   4   9.771   9.196   6.672
   23   1HG   GLU   4           HG2      GLU   4  10.064  10.625   4.002
   24   2HG   GLU   4           HG1      GLU   4   9.406  11.314   5.480
   25    H    LYS   5           HN       LYS   5   9.167   7.251   3.279
   26    HA   LYS   5           HA       LYS   5   9.174   7.154   0.933
   27   1HB   LYS   5           HB2      LYS   5  10.260   9.889   1.590
   28   2HB   LYS   5           HB1      LYS   5  10.137   9.371  -0.091
   29   1HG   LYS   5           HG2      LYS   5   8.115  10.626   0.747
   30   2HG   LYS   5           HG1      LYS   5   7.757   9.020   0.115
   31   1HD   LYS   5           HD2      LYS   5   7.577   8.099   2.335
   32   2HD   LYS   5           HD1      LYS   5   8.208   9.577   3.058
   33   1HE   LYS   5           HE2      LYS   5   6.242  10.822   2.340
   34   2HE   LYS   5           HE1      LYS   5   5.628   9.410   1.478
   35   1HZ   LYS   5           HZ2      LYS   5   5.509   8.222   3.576
   36   2HZ   LYS   5           HZ1      LYS   5   6.091   9.586   4.405
   37   3HZ   LYS   5           HZ3      LYS   5   4.579   9.642   3.639
   38    H    ALA   6           HN       ALA   6  11.381   5.799   2.179
   39    HA   ALA   6           HA       ALA   6  13.827   6.523   0.756
   40   1HB   ALA   6           HB2      ALA   6  13.023   4.155   2.453
   41   2HB   ALA   6           HB1      ALA   6  14.577   4.218   1.620
   42   3HB   ALA   6           HB3      ALA   6  14.179   5.430   2.837
   43    H    ARG   7           HN       ARG   7  13.090   3.145   0.650
   44    HA   ARG   7           HA       ARG   7  13.087   3.273  -2.317
   45   1HB   ARG   7           HB2      ARG   7  12.866   0.698  -0.742
   46   2HB   ARG   7           HB1      ARG   7  13.627   0.985  -2.303
   47   1HG   ARG   7           HG2      ARG   7  15.252   2.519  -0.903
   48   2HG   ARG   7           HG1      ARG   7  14.685   1.547   0.457
   49   1HD   ARG   7           HD2      ARG   7  15.221  -0.435  -1.327
   50   2HD   ARG   7           HD1      ARG   7  16.416   0.752  -1.840
   51    HE   ARG   7           HE       ARG   7  16.685  -0.924   0.403
   52   1HH1  ARG   7          HH21      ARG   7  16.776   2.466  -0.273
   53   2HH1  ARG   7          HH22      ARG   7  17.687   2.846   1.144
   54   1HH2  ARG   7          HH11      ARG   7  17.900  -0.428   2.227
   55   2HH2  ARG   7          HH12      ARG   7  18.332   1.218   2.545
   56    H    ASP   8           HN       ASP   8  10.877   3.520   0.090
   57    HA   ASP   8           HA       ASP   8   8.812   1.725  -0.841
   58   1HB   ASP   8           HB2      ASP   8   8.535   4.230   0.851
   59   2HB   ASP   8           HB1      ASP   8   7.349   2.927   0.703
   60    H    TRP   9           HN       TRP   9   6.890   2.284  -1.901
   61    HA   TRP   9           HA       TRP   9   7.144   4.125  -4.112
   62   1HB   TRP   9           HB2      TRP   9   4.873   2.515  -2.903
   63   2HB   TRP   9           HB1      TRP   9   4.616   3.591  -4.271
   64    HD1  TRP   9           HD1      TRP   9   7.628   1.243  -3.627
   65    HE1  TRP   9           HE1      TRP   9   7.865  -0.333  -5.644
   66    HE3  TRP   9           HE3      TRP   9   3.479   2.607  -6.283
   67    HZ2  TRP   9           HZ2      TRP   9   6.456  -0.975  -8.056
   68    HZ3  TRP   9           HZ3      TRP   9   2.933   1.475  -8.429
   69    HH2  TRP   9           HH2      TRP   9   4.416  -0.310  -9.316
   70    H    HIS  10           HN       HIS  10   7.098   6.311  -3.730
   71    HA   HIS  10           HA       HIS  10   6.435   7.738  -1.489
   72   1HB   HIS  10           HB2      HIS  10   7.236   8.605  -3.790
   73   2HB   HIS  10           HB1      HIS  10   5.524   8.731  -4.198
   74    HD1  HIS  10           HD1      HIS  10   8.109  10.122  -1.815
   75    HD2  HIS  10           HD2      HIS  10   4.176  10.883  -2.972
   76    HE1  HIS  10           HE1      HIS  10   7.477  12.350  -0.788
   77    H    ARG  11           HN       ARG  11   4.531   8.625  -0.562
   78    HA   ARG  11           HA       ARG  11   2.221   7.078  -0.482
   79   1HB   ARG  11           HB2      ARG  11   2.705  10.011   0.011
   80   2HB   ARG  11           HB1      ARG  11   1.057   9.386   0.088
   81   1HG   ARG  11           HG2      ARG  11   1.652   7.818   1.819
   82   2HG   ARG  11           HG1      ARG  11   3.367   8.175   1.632
   83   1HD   ARG  11           HD2      ARG  11   1.322  10.255   2.446
   84   2HD   ARG  11           HD1      ARG  11   2.262   9.313   3.605
   85    HE   ARG  11           HE       ARG  11   4.179  10.392   1.925
   86   1HH1  ARG  11          HH21      ARG  11   1.531  11.584   3.784
   87   2HH1  ARG  11          HH22      ARG  11   2.266  13.121   4.091
   88   1HH2  ARG  11          HH11      ARG  11   5.153  12.394   2.309
   89   2HH2  ARG  11          HH12      ARG  11   4.321  13.580   3.258
   90    H    ALA  12           HN       ALA  12   3.146   9.401  -2.923
   91    HA   ALA  12           HA       ALA  12   0.490   9.370  -4.201
   92   1HB   ALA  12           HB3      ALA  12   1.895  11.411  -4.263
   93   2HB   ALA  12           HB2      ALA  12   3.121  10.525  -5.170
   94   3HB   ALA  12           HB1      ALA  12   1.535  10.816  -5.883
   95    H    ASP  13           HN       ASP  13   3.594   7.729  -4.504
   96    HA   ASP  13           HA       ASP  13   3.118   6.679  -7.154
   97   1HB   ASP  13           HB2      ASP  13   4.899   5.840  -4.876
   98   2HB   ASP  13           HB1      ASP  13   4.799   4.882  -6.354
   99    H    VAL  14           HN       VAL  14   1.978   5.960  -4.000
  100    HA   VAL  14           HA       VAL  14   1.085   3.245  -4.605
  101    HB   VAL  14           HB       VAL  14   0.517   5.198  -2.355
  102   1HG1  VAL  14          HG13      VAL  14  -0.596   2.413  -2.790
  103   2HG1  VAL  14          HG12      VAL  14  -0.599   3.228  -1.227
  104   3HG1  VAL  14          HG11      VAL  14  -1.511   3.905  -2.571
  105   1HG2  VAL  14          HG21      VAL  14   2.075   2.609  -2.593
  106   2HG2  VAL  14          HG23      VAL  14   2.713   4.213  -2.243
  107   3HG2  VAL  14          HG22      VAL  14   1.716   3.384  -1.051
  108    H    ILE  15           HN       ILE  15  -0.700   6.295  -3.933
  109    HA   ILE  15           HA       ILE  15  -3.137   5.225  -5.083
  110    HB   ILE  15           HB       ILE  15  -2.428   8.119  -4.526
  111   1HG1  ILE  15          HG12      ILE  15  -3.904   6.139  -2.757
  112   2HG1  ILE  15          HG11      ILE  15  -2.190   6.501  -2.574
  113   1HG2  ILE  15          HG22      ILE  15  -5.082   6.670  -4.804
  114   2HG2  ILE  15          HG21      ILE  15  -4.891   8.370  -4.375
  115   3HG2  ILE  15          HG23      ILE  15  -4.405   7.802  -5.971
  116   1HD1  ILE  15          HD13      ILE  15  -2.999   9.002  -2.476
  117   2HD1  ILE  15          HD12      ILE  15  -4.559   8.282  -2.071
  118   3HD1  ILE  15          HD11      ILE  15  -3.155   7.981  -1.048
  119    H    ALA  16           HN       ALA  16  -0.752   7.645  -6.280
  120    HA   ALA  16           HA       ALA  16  -2.056   8.165  -8.739
  121   1HB   ALA  16           HB1      ALA  16   0.070   9.277  -7.785
  122   2HB   ALA  16           HB3      ALA  16   0.948   7.940  -8.529
  123   3HB   ALA  16           HB2      ALA  16  -0.004   9.037  -9.529
  124    H    GLY  17           HN       GLY  17   0.398   5.700  -7.984
  125   1HA   GLY  17           HA2      GLY  17   0.415   4.469 -10.557
  126   2HA   GLY  17           HA1      GLY  17   0.922   3.693  -9.058
  127    H    LEU  18           HN       LEU  18  -1.293   3.461  -7.568
  128    HA   LEU  18           HA       LEU  18  -2.755   1.344  -8.834
  129   1HB   LEU  18           HB2      LEU  18  -3.255   2.966  -6.327
  130   2HB   LEU  18           HB1      LEU  18  -4.296   1.631  -6.804
  131    HG   LEU  18           HG       LEU  18  -1.315   1.213  -6.588
  132   1HD1  LEU  18          HD12      LEU  18  -2.241   2.207  -4.424
  133   2HD1  LEU  18          HD11      LEU  18  -3.269   0.781  -4.315
  134   3HD1  LEU  18          HD13      LEU  18  -1.514   0.613  -4.275
  135   1HD2  LEU  18          HD22      LEU  18  -3.729  -0.592  -6.206
  136   2HD2  LEU  18          HD21      LEU  18  -2.701  -0.560  -7.632
  137   3HD2  LEU  18          HD23      LEU  18  -2.050  -1.106  -6.092
  138    H    LYS  19           HN       LYS  19  -3.938   4.544  -7.766
  139    HA   LYS  19           HA       LYS  19  -6.461   4.431  -8.998
  140   1HB   LYS  19           HB2      LYS  19  -5.586   6.225  -7.421
  141   2HB   LYS  19           HB1      LYS  19  -4.755   6.929  -8.805
  142   1HG   LYS  19           HG2      LYS  19  -6.901   7.192  -9.982
  143   2HG   LYS  19           HG1      LYS  19  -7.749   6.450  -8.631
  144   1HD   LYS  19           HD2      LYS  19  -6.004   8.850  -8.106
  145   2HD   LYS  19           HD1      LYS  19  -7.591   9.095  -8.834
  146   1HE   LYS  19           HE2      LYS  19  -7.133   7.547  -6.266
  147   2HE   LYS  19           HE1      LYS  19  -7.610   9.241  -6.329
  148   1HZ   LYS  19           HZ3      LYS  19  -9.340   7.960  -8.019
  149   2HZ   LYS  19           HZ2      LYS  19  -9.198   6.908  -6.695
  150   3HZ   LYS  19           HZ1      LYS  19  -9.687   8.518  -6.455
  151    H    LYS  20           HN       LYS  20  -3.413   4.434 -10.511
  152    HA   LYS  20           HA       LYS  20  -3.893   5.943 -12.851
  153   1HB   LYS  20           HB2      LYS  20  -1.712   4.772 -12.212
  154   2HB   LYS  20           HB1      LYS  20  -2.441   3.289 -12.826
  155   1HG   LYS  20           HG2      LYS  20  -1.435   3.982 -14.794
  156   2HG   LYS  20           HG1      LYS  20  -2.938   4.882 -14.955
  157   1HD   LYS  20           HD2      LYS  20  -1.428   6.610 -15.297
  158   2HD   LYS  20           HD1      LYS  20  -1.582   6.716 -13.544
  159   1HE   LYS  20           HE2      LYS  20   0.652   5.500 -15.167
  160   2HE   LYS  20           HE1      LYS  20   0.751   6.718 -13.896
  161   1HZ   LYS  20           HZ3      LYS  20  -0.202   3.966 -13.377
  162   2HZ   LYS  20           HZ2      LYS  20   1.439   4.389 -13.278
  163   3HZ   LYS  20           HZ1      LYS  20   0.305   5.128 -12.253
  164    H    ARG  21           HN       ARG  21  -4.988   2.760 -11.906
  165    HA   ARG  21           HA       ARG  21  -6.346   2.387 -14.517
  166   1HB   ARG  21           HB2      ARG  21  -6.338   0.635 -12.022
  167   2HB   ARG  21           HB1      ARG  21  -6.964   0.187 -13.606
  168   1HG   ARG  21           HG2      ARG  21  -4.441   0.857 -14.330
  169   2HG   ARG  21           HG1      ARG  21  -4.126   0.379 -12.667
  170   1HD   ARG  21           HD2      ARG  21  -5.070  -1.279 -14.976
  171   2HD   ARG  21           HD1      ARG  21  -3.872  -1.674 -13.747
  172    HE   ARG  21           HE       ARG  21  -6.627  -2.409 -13.710
  173   1HH1  ARG  21          HH21      ARG  21  -4.246  -1.012 -11.647
  174   2HH1  ARG  21          HH22      ARG  21  -5.105  -1.384 -10.196
  175   1HH2  ARG  21          HH11      ARG  21  -7.753  -2.903 -11.836
  176   2HH2  ARG  21          HH12      ARG  21  -7.096  -2.449 -10.298
  177    H    LYS  22           HN       LYS  22  -7.784   1.391 -11.491
  178    HA   LYS  22           HA       LYS  22  -9.462   3.763 -11.274
  179   1HB   LYS  22           HB2      LYS  22 -10.616   1.112 -12.205
  180   2HB   LYS  22           HB1      LYS  22 -11.602   2.363 -11.448
  181   1HG   LYS  22           HG2      LYS  22 -10.620   3.957 -13.240
  182   2HG   LYS  22           HG1      LYS  22 -10.108   2.492 -14.071
  183   1HD   LYS  22           HD2      LYS  22 -12.502   1.688 -13.938
  184   2HD   LYS  22           HD1      LYS  22 -12.934   3.292 -13.345
  185   1HE   LYS  22           HE2      LYS  22 -11.486   2.794 -15.959
  186   2HE   LYS  22           HE1      LYS  22 -13.228   3.029 -15.827
  187   1HZ   LYS  22           HZ2      LYS  22 -12.552   5.149 -14.551
  188   2HZ   LYS  22           HZ1      LYS  22 -11.055   4.951 -15.329
  189   3HZ   LYS  22           HZ3      LYS  22 -12.466   5.147 -16.248
  190    H    LEU  23           HN       LEU  23  -7.902   3.224  -9.338
  191    HA   LEU  23           HA       LEU  23  -9.477   1.659  -7.316
  192   1HB   LEU  23           HB2      LEU  23  -6.469   1.855  -7.471
  193   2HB   LEU  23           HB1      LEU  23  -7.392   0.884  -6.339
  194    HG   LEU  23           HG       LEU  23  -7.430   0.489  -9.347
  195   1HD1  LEU  23          HD11      LEU  23  -5.851  -0.855  -7.141
  196   2HD1  LEU  23          HD13      LEU  23  -6.067  -1.570  -8.740
  197   3HD1  LEU  23          HD12      LEU  23  -5.219  -0.034  -8.572
  198   1HD2  LEU  23          HD23      LEU  23  -8.543  -1.076  -6.999
  199   2HD2  LEU  23          HD22      LEU  23  -9.442  -0.400  -8.355
  200   3HD2  LEU  23          HD21      LEU  23  -8.367  -1.771  -8.607
  201    H    SER  24           HN       SER  24  -9.336   2.437  -5.165
  202    HA   SER  24           HA       SER  24  -7.887   4.959  -4.638
  203   1HB   SER  24           HB2      SER  24 -10.002   5.997  -3.717
  204   2HB   SER  24           HB1      SER  24  -9.982   5.836  -5.473
  205    HG   SER  24           HG       SER  24 -11.006   3.762  -3.874
  206    H    LEU  25           HN       LEU  25  -7.026   4.759  -2.587
  207    HA   LEU  25           HA       LEU  25  -7.268   2.521  -0.959
  208   1HB   LEU  25           HB2      LEU  25  -6.866   5.395  -0.082
  209   2HB   LEU  25           HB1      LEU  25  -6.616   3.999   0.970
  210    HG   LEU  25           HG       LEU  25  -5.208   4.120  -1.702
  211   1HD1  LEU  25          HD11      LEU  25  -4.757   6.288  -0.578
  212   2HD1  LEU  25          HD13      LEU  25  -4.216   5.417   0.858
  213   3HD1  LEU  25          HD12      LEU  25  -3.315   5.274  -0.654
  214   1HD2  LEU  25          HD22      LEU  25  -4.565   2.909   1.016
  215   2HD2  LEU  25          HD21      LEU  25  -5.057   2.034  -0.435
  216   3HD2  LEU  25          HD23      LEU  25  -3.492   2.845  -0.382
  217    H    SER  26           HN       SER  26  -9.600   5.070  -1.355
  218    HA   SER  26           HA       SER  26 -11.064   4.462   1.093
  219   1HB   SER  26           HB2      SER  26 -12.789   5.952   0.150
  220   2HB   SER  26           HB1      SER  26 -11.195   6.694   0.050
  221    HG   SER  26           HG       SER  26 -11.102   6.146  -2.107
  222    H    ALA  27           HN       ALA  27 -11.245   3.484  -2.292
  223    HA   ALA  27           HA       ALA  27 -13.770   2.075  -1.955
  224   1HB   ALA  27           HB1      ALA  27 -11.677   1.964  -4.143
  225   2HB   ALA  27           HB3      ALA  27 -13.248   1.171  -4.223
  226   3HB   ALA  27           HB2      ALA  27 -13.152   2.931  -4.150
  227    H    LEU  28           HN       LEU  28 -10.334   1.099  -2.079
  228    HA   LEU  28           HA       LEU  28 -10.848  -1.709  -1.961
  229   1HB   LEU  28           HB2      LEU  28  -8.467   0.006  -1.259
  230   2HB   LEU  28           HB1      LEU  28  -8.448  -1.731  -0.962
  231    HG   LEU  28           HG       LEU  28  -8.920  -2.189  -3.298
  232   1HD1  LEU  28          HD12      LEU  28  -9.173   0.814  -3.459
  233   2HD1  LEU  28          HD11      LEU  28  -8.849  -0.159  -4.885
  234   3HD1  LEU  28          HD13      LEU  28 -10.330  -0.412  -3.974
  235   1HD2  LEU  28          HD21      LEU  28  -6.550  -1.797  -2.595
  236   2HD2  LEU  28          HD23      LEU  28  -6.833  -1.393  -4.285
  237   3HD2  LEU  28          HD22      LEU  28  -6.717  -0.112  -3.081
  238    H    SER  29           HN       SER  29 -10.792   0.776   0.483
  239    HA   SER  29           HA       SER  29 -10.558  -0.994   2.760
  240   1HB   SER  29           HB2      SER  29 -10.126   1.195   3.393
  241   2HB   SER  29           HB1      SER  29 -11.352   1.856   2.318
  242    HG   SER  29           HG       SER  29 -12.922   0.951   3.763
  243    H    ARG  30           HN       ARG  30 -13.431   0.729   1.432
  244    HA   ARG  30           HA       ARG  30 -15.274  -0.759   3.067
  245   1HB   ARG  30           HB2      ARG  30 -17.029   0.233   1.642
  246   2HB   ARG  30           HB1      ARG  30 -15.855   1.447   2.150
  247   1HG   ARG  30           HG2      ARG  30 -14.643   1.016  -0.049
  248   2HG   ARG  30           HG1      ARG  30 -16.060   0.096  -0.550
  249   1HD   ARG  30           HD2      ARG  30 -15.921   3.018   0.186
  250   2HD   ARG  30           HD1      ARG  30 -16.366   2.337  -1.370
  251    HE   ARG  30           HE       ARG  30 -18.118   2.845   0.860
  252   1HH1  ARG  30          HH21      ARG  30 -17.469   0.461  -1.552
  253   2HH1  ARG  30          HH22      ARG  30 -19.001  -0.323  -1.363
  254   1HH2  ARG  30          HH11      ARG  30 -20.104   1.835   1.110
  255   2HH2  ARG  30          HH12      ARG  30 -20.489   0.452   0.140
  256    H    GLN  31           HN       GLN  31 -13.756  -1.467   0.022
  257    HA   GLN  31           HA       GLN  31 -15.732  -3.286  -0.984
  258   1HB   GLN  31           HB2      GLN  31 -12.830  -2.779  -1.487
  259   2HB   GLN  31           HB1      GLN  31 -13.502  -4.288  -2.092
  260   1HG   GLN  31           HG2      GLN  31 -15.252  -3.033  -3.297
  261   2HG   GLN  31           HG1      GLN  31 -14.581  -1.513  -2.697
  262   1HE2  GLN  31          HE22      GLN  31 -12.874  -3.333  -5.888
  263   2HE2  GLN  31          HE21      GLN  31 -14.266  -3.961  -5.142
  264    H    PHE  32           HN       PHE  32 -13.151  -3.676   1.399
  265    HA   PHE  32           HA       PHE  32 -13.772  -6.606   1.570
  266   1HB   PHE  32           HB2      PHE  32 -11.451  -4.906   2.504
  267   2HB   PHE  32           HB1      PHE  32 -11.732  -6.511   3.184
  268    HD1  PHE  32           HD2      PHE  32 -11.585  -8.532   1.788
  269    HD2  PHE  32           HD1      PHE  32 -10.782  -4.618   0.170
  270    HE1  PHE  32           HE2      PHE  32 -10.559  -9.575  -0.226
  271    HE2  PHE  32           HE1      PHE  32  -9.761  -5.663  -1.844
  272    HZ   PHE  32           HZ       PHE  32  -9.648  -8.139  -2.042
  273    H    GLY  33           HN       GLY  33 -14.032  -3.586   3.355
  274   1HA   GLY  33           HA2      GLY  33 -16.004  -3.623   4.955
  275   2HA   GLY  33           HA1      GLY  33 -15.295  -5.087   5.625
  276    H    TYR  34           HN       TYR  34 -12.609  -4.406   5.803
  277    HA   TYR  34           HA       TYR  34 -12.392  -3.090   8.228
  278   1HB   TYR  34           HB2      TYR  34 -10.316  -2.758   6.055
  279   2HB   TYR  34           HB1      TYR  34 -10.061  -2.765   7.798
  280    HD1  TYR  34           HD2      TYR  34 -11.399  -5.042   8.877
  281    HD2  TYR  34           HD1      TYR  34  -9.442  -4.678   5.052
  282    HE1  TYR  34           HE2      TYR  34 -11.074  -7.503   8.808
  283    HE2  TYR  34           HE1      TYR  34  -9.117  -7.136   4.994
  284    HH   TYR  34           HH       TYR  34  -9.994  -9.188   7.752
  285    H    ALA  35           HN       ALA  35 -12.799  -1.061   8.896
  286    HA   ALA  35           HA       ALA  35 -13.857   0.973   7.337
  287   1HB   ALA  35           HB3      ALA  35 -12.842   0.704  10.033
  288   2HB   ALA  35           HB2      ALA  35 -12.376   2.281   9.403
  289   3HB   ALA  35           HB1      ALA  35 -14.076   1.813   9.446
  290    HA   PRO  36           HA       PRO  36 -10.653   2.846   4.984
  291   1HB   PRO  36           HB2      PRO  36 -10.968   5.581   5.813
  292   2HB   PRO  36           HB1      PRO  36 -11.666   4.809   4.384
  293   1HG   PRO  36           HG2      PRO  36 -13.020   5.588   6.855
  294   2HG   PRO  36           HG1      PRO  36 -13.736   5.001   5.348
  295   1HD   PRO  36           HD2      PRO  36 -13.509   3.554   7.804
  296   2HD   PRO  36           HD1      PRO  36 -14.045   2.918   6.235
  297    H    THR  37           HN       THR  37 -10.797   3.844   8.396
  298    HA   THR  37           HA       THR  37  -8.185   4.939   8.620
  299    HB   THR  37           HB       THR  37  -8.390   4.593  10.990
  300    HG1  THR  37           HG1      THR  37 -10.163   2.562  10.178
  301   1HG2  THR  37          HG23      THR  37  -9.991   6.199   9.977
  302   2HG2  THR  37          HG22      THR  37 -11.175   4.901   9.840
  303   3HG2  THR  37          HG21      THR  37 -10.638   5.442  11.430
  304    H    THR  38           HN       THR  38  -9.284   1.563   8.978
  305    HA   THR  38           HA       THR  38  -6.809   0.419   9.727
  306    HB   THR  38           HB       THR  38  -9.102  -0.662   8.061
  307    HG1  THR  38           HG1      THR  38  -8.833  -0.207  10.578
  308   1HG2  THR  38          HG22      THR  38  -6.500  -1.949   8.851
  309   2HG2  THR  38          HG21      THR  38  -7.967  -2.925   8.788
  310   3HG2  THR  38          HG23      THR  38  -7.402  -2.090   7.340
  311    H    LEU  39           HN       LEU  39  -8.124   0.188   6.419
  312    HA   LEU  39           HA       LEU  39  -5.740  -0.460   5.131
  313   1HB   LEU  39           HB2      LEU  39  -8.072  -0.389   4.132
  314   2HB   LEU  39           HB1      LEU  39  -7.878   1.355   3.989
  315    HG   LEU  39           HG       LEU  39  -5.953   1.053   2.506
  316   1HD1  LEU  39          HD11      LEU  39  -6.308  -1.831   3.282
  317   2HD1  LEU  39          HD13      LEU  39  -5.737  -1.475   1.648
  318   3HD1  LEU  39          HD12      LEU  39  -4.820  -0.912   3.045
  319   1HD2  LEU  39          HD23      LEU  39  -8.405   0.930   1.699
  320   2HD2  LEU  39          HD22      LEU  39  -7.156   0.361   0.593
  321   3HD2  LEU  39          HD21      LEU  39  -8.122  -0.800   1.508
  322    H    ALA  40           HN       ALA  40  -7.029   2.807   5.765
  323    HA   ALA  40           HA       ALA  40  -4.998   4.289   4.483
  324   1HB   ALA  40           HB3      ALA  40  -7.069   5.273   5.474
  325   2HB   ALA  40           HB2      ALA  40  -6.392   5.009   7.081
  326   3HB   ALA  40           HB1      ALA  40  -5.610   6.129   5.968
  327    H    ASN  41           HN       ASN  41  -5.145   3.755   8.015
  328    HA   ASN  41           HA       ASN  41  -2.432   4.444   8.504
  329   1HB   ASN  41           HB2      ASN  41  -4.085   2.508  10.145
  330   2HB   ASN  41           HB1      ASN  41  -2.744   3.511  10.700
  331   1HD2  ASN  41          HD22      ASN  41  -5.198   5.847  11.732
  332   2HD2  ASN  41          HD21      ASN  41  -3.976   4.773  12.219
  333    H    ALA  42           HN       ALA  42  -3.612   1.712   6.884
  334    HA   ALA  42           HA       ALA  42  -1.716  -0.234   7.877
  335   1HB   ALA  42           HB1      ALA  42  -3.873  -0.710   6.573
  336   2HB   ALA  42           HB3      ALA  42  -2.967  -0.256   5.128
  337   3HB   ALA  42           HB2      ALA  42  -2.449  -1.637   6.096
  338    H    LEU  43           HN       LEU  43  -1.061   2.584   6.437
  339    HA   LEU  43           HA       LEU  43   0.932   1.629   4.485
  340   1HB   LEU  43           HB2      LEU  43   0.353   4.426   5.497
  341   2HB   LEU  43           HB1      LEU  43   1.391   4.023   4.130
  342    HG   LEU  43           HG       LEU  43  -1.487   3.100   4.192
  343   1HD1  LEU  43          HD13      LEU  43  -1.425   5.582   4.552
  344   2HD1  LEU  43          HD12      LEU  43  -0.516   5.732   3.048
  345   3HD1  LEU  43          HD11      LEU  43  -2.166   5.113   3.023
  346   1HD2  LEU  43          HD21      LEU  43   0.535   3.690   2.001
  347   2HD2  LEU  43          HD23      LEU  43  -0.088   2.106   2.470
  348   3HD2  LEU  43          HD22      LEU  43  -1.153   3.280   1.702
  349    H    GLU  44           HN       GLU  44   0.794   2.665   7.816
  350    HA   GLU  44           HA       GLU  44   3.758   2.275   8.017
  351   1HB   GLU  44           HB2      GLU  44   2.069   4.457   9.259
  352   2HB   GLU  44           HB1      GLU  44   3.691   4.054   9.828
  353   1HG   GLU  44           HG2      GLU  44   4.668   4.606   7.711
  354   2HG   GLU  44           HG1      GLU  44   3.086   4.729   6.941
  355    H    ARG  45           HN       ARG  45   0.610   1.566   9.212
  356    HA   ARG  45           HA       ARG  45   1.460   0.780  11.885
  357   1HB   ARG  45           HB2      ARG  45  -0.914   1.402  11.234
  358   2HB   ARG  45           HB1      ARG  45  -1.006  -0.136  10.378
  359   1HG   ARG  45           HG2      ARG  45  -1.874  -0.786  12.432
  360   2HG   ARG  45           HG1      ARG  45  -0.170  -1.125  12.710
  361   1HD   ARG  45           HD2      ARG  45  -1.436   1.527  13.454
  362   2HD   ARG  45           HD1      ARG  45  -1.381   0.158  14.554
  363    HE   ARG  45           HE       ARG  45   1.253   0.469  13.703
  364   1HH1  ARG  45          HH21      ARG  45  -1.191   2.420  15.153
  365   2HH1  ARG  45          HH22      ARG  45  -0.069   3.415  16.020
  366   1HH2  ARG  45          HH11      ARG  45   2.732   1.764  14.816
  367   2HH2  ARG  45          HH12      ARG  45   2.152   3.049  15.820
  368    H    HIS  46           HN       HIS  46   2.295  -1.180  12.497
  369    HA   HIS  46           HA       HIS  46   3.344  -2.993  10.565
  370   1HB   HIS  46           HB2      HIS  46   4.177  -2.769  12.910
  371   2HB   HIS  46           HB1      HIS  46   2.715  -3.586  13.473
  372    HD1  HIS  46           HD1      HIS  46   5.820  -4.192  11.391
  373    HD2  HIS  46           HD2      HIS  46   2.713  -6.375  13.115
  374    HE1  HIS  46           HE1      HIS  46   6.436  -6.637  11.139
  375    H    TRP  47           HN       TRP  47   1.854  -3.833   9.159
  376    HA   TRP  47           HA       TRP  47   0.240  -6.049  10.073
  377   1HB   TRP  47           HB2      TRP  47  -1.247  -4.136  10.673
  378   2HB   TRP  47           HB1      TRP  47  -1.212  -3.611   8.993
  379    HD1  TRP  47           HD1      TRP  47  -1.688  -7.206  10.393
  380    HE1  TRP  47           HE1      TRP  47  -3.870  -8.149   9.420
  381    HE3  TRP  47           HE3      TRP  47  -3.353  -3.105   7.835
  382    HZ2  TRP  47           HZ2      TRP  47  -6.057  -7.289   7.771
  383    HZ3  TRP  47           HZ3      TRP  47  -5.494  -3.190   6.575
  384    HH2  TRP  47           HH2      TRP  47  -6.849  -5.277   6.543
  385    HA   PRO  48           HA       PRO  48   2.114  -5.929   5.800
  386   1HB   PRO  48           HB2      PRO  48   2.515  -8.813   6.238
  387   2HB   PRO  48           HB1      PRO  48   3.715  -7.560   5.872
  388   1HG   PRO  48           HG2      PRO  48   3.377  -8.809   8.378
  389   2HG   PRO  48           HG1      PRO  48   4.275  -7.309   8.089
  390   1HD   PRO  48           HD2      PRO  48   1.662  -7.663   9.387
  391   2HD   PRO  48           HD1      PRO  48   2.712  -6.224   9.379
  392    H    LYS  49           HN       LYS  49  -0.471  -7.702   7.296
  393    HA   LYS  49           HA       LYS  49  -1.354  -9.059   4.890
  394   1HB   LYS  49           HB2      LYS  49  -1.970  -9.569   7.372
  395   2HB   LYS  49           HB1      LYS  49  -3.174  -8.303   7.173
  396   1HG   LYS  49           HG2      LYS  49  -4.425 -10.156   6.539
  397   2HG   LYS  49           HG1      LYS  49  -3.792  -9.656   4.973
  398   1HD   LYS  49           HD2      LYS  49  -1.877 -11.269   5.329
  399   2HD   LYS  49           HD1      LYS  49  -2.715 -11.848   6.770
  400   1HE   LYS  49           HE2      LYS  49  -3.783 -11.893   3.934
  401   2HE   LYS  49           HE1      LYS  49  -3.278 -13.290   4.886
  402   1HZ   LYS  49           HZ3      LYS  49  -5.030 -12.175   6.541
  403   2HZ   LYS  49           HZ2      LYS  49  -5.706 -11.705   5.053
  404   3HZ   LYS  49           HZ1      LYS  49  -5.454 -13.351   5.392
  405    H    GLY  50           HN       GLY  50  -1.787  -5.856   6.227
  406   1HA   GLY  50           HA2      GLY  50  -4.080  -5.129   4.606
  407   2HA   GLY  50           HA1      GLY  50  -2.991  -3.997   5.416
  408    H    GLU  51           HN       GLU  51  -0.608  -5.197   4.136
  409    HA   GLU  51           HA       GLU  51  -0.569  -3.555   1.758
  410   1HB   GLU  51           HB2      GLU  51   1.397  -5.757   2.429
  411   2HB   GLU  51           HB1      GLU  51   1.692  -4.281   1.508
  412   1HG   GLU  51           HG2      GLU  51   1.287  -2.935   3.534
  413   2HG   GLU  51           HG1      GLU  51   1.012  -4.410   4.454
  414    H    GLN  52           HN       GLN  52  -1.102  -6.958   2.459
  415    HA   GLN  52           HA       GLN  52  -0.872  -7.968  -0.205
  416   1HB   GLN  52           HB2      GLN  52  -2.610  -8.888   2.108
  417   2HB   GLN  52           HB1      GLN  52  -2.373  -9.806   0.622
  418   1HG   GLN  52           HG2      GLN  52  -0.024  -8.874   2.279
  419   2HG   GLN  52           HG1      GLN  52  -0.857 -10.387   2.637
  420   1HE2  GLN  52          HE22      GLN  52   1.832 -11.348   0.311
  421   2HE2  GLN  52          HE21      GLN  52   1.691 -10.832   1.924
  422    H    ILE  53           HN       ILE  53  -3.587  -6.502   1.576
  423    HA   ILE  53           HA       ILE  53  -5.632  -6.927  -0.342
  424    HB   ILE  53           HB       ILE  53  -5.254  -4.424   1.339
  425   1HG1  ILE  53          HG12      ILE  53  -6.540  -7.085   2.042
  426   2HG1  ILE  53          HG11      ILE  53  -5.058  -6.432   2.743
  427   1HG2  ILE  53          HG23      ILE  53  -7.086  -4.620  -0.530
  428   2HG2  ILE  53          HG22      ILE  53  -7.879  -5.710   0.602
  429   3HG2  ILE  53          HG21      ILE  53  -7.552  -4.043   1.066
  430   1HD1  ILE  53          HD11      ILE  53  -6.406  -4.436   3.520
  431   2HD1  ILE  53          HD13      ILE  53  -7.856  -5.298   3.006
  432   3HD1  ILE  53          HD12      ILE  53  -6.849  -5.961   4.291
  433    H    ILE  54           HN       ILE  54  -3.450  -4.088  -0.023
  434    HA   ILE  54           HA       ILE  54  -4.350  -2.850  -2.436
  435    HB   ILE  54           HB       ILE  54  -1.828  -2.591  -0.787
  436   1HG1  ILE  54          HG12      ILE  54  -4.134  -0.696  -1.319
  437   2HG1  ILE  54          HG11      ILE  54  -4.078  -1.800   0.048
  438   1HG2  ILE  54          HG23      ILE  54  -2.602  -1.213  -3.359
  439   2HG2  ILE  54          HG22      ILE  54  -1.500  -0.464  -2.207
  440   3HG2  ILE  54          HG21      ILE  54  -1.075  -1.994  -2.965
  441   1HD1  ILE  54          HD13      ILE  54  -1.723  -0.651   0.482
  442   2HD1  ILE  54          HD12      ILE  54  -2.435   0.663  -0.451
  443   3HD1  ILE  54          HD11      ILE  54  -3.205   0.118   1.032
  444    H    ALA  55           HN       ALA  55  -1.393  -4.821  -1.845
  445    HA   ALA  55           HA       ALA  55  -0.490  -4.789  -4.539
  446   1HB   ALA  55           HB1      ALA  55  -0.195  -6.939  -2.422
  447   2HB   ALA  55           HB3      ALA  55   0.712  -6.896  -3.934
  448   3HB   ALA  55           HB2      ALA  55   0.929  -5.615  -2.738
  449    H    ASN  56           HN       ASN  56  -2.945  -6.739  -2.946
  450    HA   ASN  56           HA       ASN  56  -3.265  -8.776  -4.896
  451   1HB   ASN  56           HB2      ASN  56  -4.424  -8.805  -2.706
  452   2HB   ASN  56           HB1      ASN  56  -5.427  -7.453  -3.232
  453   1HD2  ASN  56          HD22      ASN  56  -7.636  -9.486  -5.063
  454   2HD2  ASN  56          HD21      ASN  56  -7.271  -7.940  -4.466
  455    H    ALA  57           HN       ALA  57  -4.496  -5.460  -4.785
  456    HA   ALA  57           HA       ALA  57  -6.317  -5.659  -6.959
  457   1HB   ALA  57           HB2      ALA  57  -6.153  -3.704  -5.412
  458   2HB   ALA  57           HB1      ALA  57  -4.644  -3.248  -6.200
  459   3HB   ALA  57           HB3      ALA  57  -6.153  -3.235  -7.108
  460    H    LEU  58           HN       LEU  58  -2.822  -4.981  -6.939
  461    HA   LEU  58           HA       LEU  58  -2.787  -4.772  -9.890
  462   1HB   LEU  58           HB2      LEU  58  -0.548  -4.757  -7.841
  463   2HB   LEU  58           HB1      LEU  58  -0.355  -4.425  -9.553
  464    HG   LEU  58           HG       LEU  58  -2.236  -2.832  -7.804
  465   1HD1  LEU  58          HD11      LEU  58   0.691  -2.338  -8.426
  466   2HD1  LEU  58          HD13      LEU  58  -0.385  -1.129  -7.727
  467   3HD1  LEU  58          HD12      LEU  58  -0.018  -2.606  -6.836
  468   1HD2  LEU  58          HD23      LEU  58  -1.007  -2.469 -10.552
  469   2HD2  LEU  58          HD22      LEU  58  -2.711  -2.464 -10.114
  470   3HD2  LEU  58          HD21      LEU  58  -1.684  -1.112  -9.659
  471    H    GLU  59           HN       GLU  59  -3.109  -7.290  -7.861
  472    HA   GLU  59           HA       GLU  59  -2.574  -9.571  -7.994
  473   1HB   GLU  59           HB2      GLU  59  -3.405  -9.027 -10.396
  474   2HB   GLU  59           HB1      GLU  59  -1.701  -9.042 -10.843
  475   1HG   GLU  59           HG2      GLU  59  -1.462 -11.338 -10.106
  476   2HG   GLU  59           HG1      GLU  59  -3.087 -11.336  -9.419
  477    H    THR  60           HN       THR  60  -0.510  -7.458  -7.373
  478    HA   THR  60           HA       THR  60   1.970  -8.956  -8.151
  479    HB   THR  60           HB       THR  60   1.720  -6.490  -8.786
  480    HG1  THR  60           HG1      THR  60   3.866  -6.138  -8.314
  481   1HG2  THR  60          HG22      THR  60   0.762  -6.020  -6.372
  482   2HG2  THR  60          HG21      THR  60   2.468  -5.905  -5.934
  483   3HG2  THR  60          HG23      THR  60   1.795  -4.821  -7.153
  484    H    LYS  61           HN       LYS  61   3.740  -8.346  -6.281
  485    HA   LYS  61           HA       LYS  61   2.558  -9.450  -3.781
  486   1HB   LYS  61           HB2      LYS  61   5.517  -9.229  -4.340
  487   2HB   LYS  61           HB1      LYS  61   4.677 -10.393  -3.319
  488   1HG   LYS  61           HG2      LYS  61   3.721 -11.487  -5.284
  489   2HG   LYS  61           HG1      LYS  61   4.449 -10.279  -6.344
  490   1HD   LYS  61           HD2      LYS  61   6.703 -11.028  -5.212
  491   2HD   LYS  61           HD1      LYS  61   5.791 -12.476  -4.780
  492   1HE   LYS  61           HE2      LYS  61   6.420 -11.410  -7.534
  493   2HE   LYS  61           HE1      LYS  61   6.786 -13.002  -6.868
  494   1HZ   LYS  61           HZ1      LYS  61   4.341 -13.361  -6.716
  495   2HZ   LYS  61           HZ3      LYS  61   4.120 -11.921  -7.585
  496   3HZ   LYS  61           HZ2      LYS  61   4.930 -13.229  -8.303
  497    HA   PRO  62           HA       PRO  62   3.209  -5.565  -1.699
  498   1HB   PRO  62           HB2      PRO  62   4.225  -6.643   0.771
  499   2HB   PRO  62           HB1      PRO  62   2.561  -6.159   0.419
  500   1HG   PRO  62           HG2      PRO  62   3.657  -8.869   0.644
  501   2HG   PRO  62           HG1      PRO  62   1.963  -8.370   0.536
  502   1HD   PRO  62           HD2      PRO  62   3.481  -9.630  -1.518
  503   2HD   PRO  62           HD1      PRO  62   1.871  -8.902  -1.688
  504    H    GLU  63           HN       GLU  63   5.723  -8.019  -1.761
  505    HA   GLU  63           HA       GLU  63   7.931  -6.464  -0.864
  506   1HB   GLU  63           HB2      GLU  63   8.221  -8.520  -3.050
  507   2HB   GLU  63           HB1      GLU  63   9.288  -8.192  -1.683
  508   1HG   GLU  63           HG2      GLU  63   7.321  -8.958  -0.198
  509   2HG   GLU  63           HG1      GLU  63   6.625  -9.613  -1.677
  510    H    VAL  64           HN       VAL  64   6.046  -6.127  -3.699
  511    HA   VAL  64           HA       VAL  64   8.235  -4.900  -5.280
  512    HB   VAL  64           HB       VAL  64   5.288  -4.995  -5.965
  513   1HG1  VAL  64          HG13      VAL  64   7.820  -4.802  -7.625
  514   2HG1  VAL  64          HG12      VAL  64   6.183  -4.887  -8.275
  515   3HG1  VAL  64          HG11      VAL  64   6.681  -3.492  -7.321
  516   1HG2  VAL  64          HG22      VAL  64   7.455  -7.050  -6.501
  517   2HG2  VAL  64          HG21      VAL  64   6.029  -7.275  -5.491
  518   3HG2  VAL  64          HG23      VAL  64   5.849  -7.066  -7.231
  519    H    ILE  65           HN       ILE  65   5.416  -3.916  -3.382
  520    HA   ILE  65           HA       ILE  65   5.697  -1.113  -4.273
  521    HB   ILE  65           HB       ILE  65   3.831  -2.383  -2.265
  522   1HG1  ILE  65          HG12      ILE  65   3.005  -1.300  -4.954
  523   2HG1  ILE  65          HG11      ILE  65   3.748  -2.899  -4.880
  524   1HG2  ILE  65          HG21      ILE  65   4.010   0.404  -3.421
  525   2HG2  ILE  65          HG23      ILE  65   2.564  -0.208  -2.623
  526   3HG2  ILE  65          HG22      ILE  65   4.071  -0.059  -1.721
  527   1HD1  ILE  65          HD12      ILE  65   2.052  -3.600  -3.204
  528   2HD1  ILE  65          HD11      ILE  65   1.284  -2.021  -3.335
  529   3HD1  ILE  65          HD13      ILE  65   1.307  -3.107  -4.723
  530    H    TRP  66           HN       TRP  66   6.713  -3.095  -1.555
  531    HA   TRP  66           HA       TRP  66   7.910  -0.631  -0.311
  532   1HB   TRP  66           HB2      TRP  66   6.423  -2.873   1.083
  533   2HB   TRP  66           HB1      TRP  66   7.460  -1.726   1.933
  534    HD1  TRP  66           HD1      TRP  66   6.750   0.896   1.780
  535    HE1  TRP  66           HE1      TRP  66   4.427   1.982   1.522
  536    HE3  TRP  66           HE3      TRP  66   4.085  -3.140   0.127
  537    HZ2  TRP  66           HZ2      TRP  66   1.776   1.239   0.714
  538    HZ3  TRP  66           HZ3      TRP  66   1.660  -2.926  -0.386
  539    HH2  TRP  66           HH2      TRP  66   0.509  -0.743  -0.096
  540    HA   PRO  67           HA       PRO  67  11.062  -4.024  -0.825
  541   1HB   PRO  67           HB2      PRO  67  12.841  -2.431  -2.309
  542   2HB   PRO  67           HB1      PRO  67  11.685  -3.583  -3.003
  543   1HG   PRO  67           HG2      PRO  67  11.578  -0.630  -3.019
  544   2HG   PRO  67           HG1      PRO  67  10.677  -1.778  -4.016
  545   1HD   PRO  67           HD2      PRO  67   9.680  -0.303  -1.765
  546   2HD   PRO  67           HD1      PRO  67   8.831  -1.565  -2.681
  547    H    SER  68           HN       SER  68  10.990  -0.711   0.175
  548    HA   SER  68           HA       SER  68  13.625  -0.404   1.217
  549   1HB   SER  68           HB2      SER  68  11.469   0.954   2.738
  550   2HB   SER  68           HB1      SER  68  12.846   1.646   1.880
  551    HG   SER  68           HG       SER  68  10.568   0.521   0.619
  552    H    ARG  69           HN       ARG  69  11.669  -2.826   2.080
  553    HA   ARG  69           HA       ARG  69  12.751  -2.858   4.869
  554   1HB   ARG  69           HB2      ARG  69   9.884  -3.408   4.039
  555   2HB   ARG  69           HB1      ARG  69  10.546  -3.842   5.618
  556   1HG   ARG  69           HG2      ARG  69  11.225  -1.398   5.863
  557   2HG   ARG  69           HG1      ARG  69  10.247  -1.072   4.433
  558   1HD   ARG  69           HD2      ARG  69   8.525  -2.582   6.036
  559   2HD   ARG  69           HD1      ARG  69   9.377  -1.579   7.208
  560    HE   ARG  69           HE       ARG  69   7.267  -0.677   5.603
  561   1HH1  ARG  69          HH21      ARG  69  10.575   0.184   6.113
  562   2HH1  ARG  69          HH22      ARG  69  10.351   1.826   5.621
  563   1HH2  ARG  69          HH11      ARG  69   6.971   1.456   4.970
  564   2HH2  ARG  69          HH12      ARG  69   8.316   2.545   4.980
  565    H    TYR  70           HN       TYR  70  12.452  -4.411   1.929
  566    HA   TYR  70           HA       TYR  70  12.756  -7.138   3.174
  567   1HB   TYR  70           HB2      TYR  70  11.716  -6.197   0.492
  568   2HB   TYR  70           HB1      TYR  70  12.292  -7.849   0.705
  569    HD1  TYR  70           HD2      TYR  70  11.359  -9.151   2.795
  570    HD2  TYR  70           HD1      TYR  70   9.499  -5.692   1.038
  571    HE1  TYR  70           HE2      TYR  70   9.198  -9.778   3.858
  572    HE2  TYR  70           HE1      TYR  70   7.330  -6.312   2.103
  573    HH   TYR  70           HH       TYR  70   6.890  -9.394   3.697
  574    H    GLN  71           HN       GLN  71  13.688  -6.637  -0.116
  575    HA   GLN  71           HA       GLN  71  16.496  -6.085   0.486
  576   1HB   GLN  71           HB2      GLN  71  16.404  -8.458   1.079
  577   2HB   GLN  71           HB1      GLN  71  15.647  -8.838  -0.467
  578   1HG   GLN  71           HG2      GLN  71  17.608  -8.297  -1.690
  579   2HG   GLN  71           HG1      GLN  71  18.330  -7.456  -0.317
  580   1HE2  GLN  71          HE22      GLN  71  19.225 -10.550   1.360
  581   2HE2  GLN  71          HE21      GLN  71  18.666  -8.985   1.700
  582    H    ALA  72           HN       ALA  72  15.377  -8.140  -2.139
  583    HA   ALA  72           HA       ALA  72  15.006  -5.940  -4.007
  584   1HB   ALA  72           HB1      ALA  72  17.550  -7.573  -4.039
  585   2HB   ALA  72           HB3      ALA  72  16.952  -6.735  -5.471
  586   3HB   ALA  72           HB2      ALA  72  17.389  -5.818  -4.031
  587    H    GLY  73           HN       GLY  73  13.866  -8.596  -3.004
  588   1HA   GLY  73           HA2      GLY  73  12.376  -9.444  -5.133
  589   2HA   GLY  73           HA1      GLY  73  13.896 -10.303  -5.389
  590    H    GLU  74           HN       GLU  74  14.727 -11.196  -3.063
  591    HA   GLU  74           HA       GLU  74  12.557 -13.008  -2.171
  592   1HB   GLU  74           HB2      GLU  74  15.551 -12.949  -1.737
  593   2HB   GLU  74           HB1      GLU  74  14.496 -14.074  -0.882
  594   1HG   GLU  74           HG2      GLU  74  15.445 -15.094  -2.931
  595   2HG   GLU  74           HG1      GLU  74  13.689 -14.976  -3.018
   
  No H/Q in entry =         595
  Start of MODEL          20
 Raw file had  612 H/Q atoms
  Start of MODEL   20
    1   1H    CYS   1           HT3      CYS   1   8.894  12.880  11.906
    2   2H    CYS   1           HT2      CYS   1   7.848  11.560  11.681
    3   3H    CYS   1           HT1      CYS   1   8.439  11.925  13.232
    4    HA   CYS   1           HA       CYS   1  10.511  11.084  12.822
    5   1HB   CYS   1           HB2      CYS   1   8.780   9.501  10.900
    6   2HB   CYS   1           HB1      CYS   1  10.211   8.925  11.756
    7    HG   CYS   1           HG       CYS   1   7.457   9.512  13.095
    8    H    SER   2           HN       SER   2  12.292  10.716  11.341
    9    HA   SER   2           HA       SER   2  12.297  12.607   9.112
   10   1HB   SER   2           HB2      SER   2  14.405  10.656  10.084
   11   2HB   SER   2           HB1      SER   2  14.660  11.880   8.842
   12    HG   SER   2           HG       SER   2  14.003  13.434  10.455
   13    H    ASN   3           HN       ASN   3  11.918  12.114   7.006
   14    HA   ASN   3           HA       ASN   3  12.451   9.451   5.932
   15   1HB   ASN   3           HB2      ASN   3   9.627  10.428   6.392
   16   2HB   ASN   3           HB1      ASN   3  10.003   9.243   5.141
   17   1HD2  ASN   3          HD22      ASN   3  11.291   6.928   7.781
   18   2HD2  ASN   3          HD21      ASN   3  11.966   7.679   6.417
   19    H    GLU   4           HN       GLU   4  10.349  12.269   5.231
   20    HA   GLU   4           HA       GLU   4  10.280  13.671   3.364
   21   1HB   GLU   4           HB2      GLU   4  12.780  13.823   4.113
   22   2HB   GLU   4           HB1      GLU   4  13.097  12.822   2.696
   23   1HG   GLU   4           HG2      GLU   4  13.322  15.074   1.943
   24   2HG   GLU   4           HG1      GLU   4  11.743  14.549   1.362
   25    H    LYS   5           HN       LYS   5   9.763  10.677   3.170
   26    HA   LYS   5           HA       LYS   5   9.356   9.082   1.483
   27   1HB   LYS   5           HB2      LYS   5   8.990  11.641  -0.103
   28   2HB   LYS   5           HB1      LYS   5   8.388  10.051  -0.572
   29   1HG   LYS   5           HG2      LYS   5   6.831   9.978   1.203
   30   2HG   LYS   5           HG1      LYS   5   7.653  11.257   2.097
   31   1HD   LYS   5           HD2      LYS   5   7.034  12.875   0.311
   32   2HD   LYS   5           HD1      LYS   5   6.149  11.593  -0.515
   33   1HE   LYS   5           HE2      LYS   5   4.866  11.298   1.707
   34   2HE   LYS   5           HE1      LYS   5   5.542  12.865   2.152
   35   1HZ   LYS   5           HZ1      LYS   5   4.177  12.499  -0.433
   36   2HZ   LYS   5           HZ3      LYS   5   3.280  12.792   0.976
   37   3HZ   LYS   5           HZ2      LYS   5   4.428  13.929   0.449
   38    H    ALA   6           HN       ALA   6  11.419   8.135   1.232
   39    HA   ALA   6           HA       ALA   6  12.784   8.818  -1.298
   40   1HB   ALA   6           HB1      ALA   6  14.083   9.020   1.425
   41   2HB   ALA   6           HB3      ALA   6  15.029   8.739  -0.036
   42   3HB   ALA   6           HB2      ALA   6  14.078  10.216   0.129
   43    H    ARG   7           HN       ARG   7  11.536   6.610   0.790
   44    HA   ARG   7           HA       ARG   7  13.502   4.464   0.215
   45   1HB   ARG   7           HB2      ARG   7  11.125   4.730   2.048
   46   2HB   ARG   7           HB1      ARG   7  11.731   3.129   1.639
   47   1HG   ARG   7           HG2      ARG   7  13.734   3.429   2.762
   48   2HG   ARG   7           HG1      ARG   7  13.730   5.179   2.534
   49   1HD   ARG   7           HD2      ARG   7  13.317   4.627   4.892
   50   2HD   ARG   7           HD1      ARG   7  11.888   5.377   4.182
   51    HE   ARG   7           HE       ARG   7  11.438   2.668   3.839
   52   1HH1  ARG   7          HH21      ARG   7  12.294   4.734   6.459
   53   2HH1  ARG   7          HH22      ARG   7  11.472   3.786   7.653
   54   1HH2  ARG   7          HH11      ARG   7  10.354   1.417   5.384
   55   2HH2  ARG   7          HH12      ARG   7  10.373   1.908   7.044
   56    H    ASP   8           HN       ASP   8  10.319   3.384   0.548
   57    HA   ASP   8           HA       ASP   8  10.353   2.179  -2.083
   58   1HB   ASP   8           HB2      ASP   8   8.071   2.271  -0.100
   59   2HB   ASP   8           HB1      ASP   8   8.343   1.079  -1.375
   60    H    TRP   9           HN       TRP   9   7.441   2.301  -2.315
   61    HA   TRP   9           HA       TRP   9   7.168   4.380  -4.256
   62   1HB   TRP   9           HB2      TRP   9   5.140   2.654  -2.780
   63   2HB   TRP   9           HB1      TRP   9   4.730   3.704  -4.125
   64    HD1  TRP   9           HD1      TRP   9   7.744   1.259  -3.757
   65    HE1  TRP   9           HE1      TRP   9   7.747  -0.308  -5.788
   66    HE3  TRP   9           HE3      TRP   9   3.441   2.799  -6.063
   67    HZ2  TRP   9           HZ2      TRP   9   6.129  -0.886  -8.072
   68    HZ3  TRP   9           HZ3      TRP   9   2.681   1.693  -8.157
   69    HH2  TRP   9           HH2      TRP   9   4.020  -0.146  -9.162
   70    H    HIS  10           HN       HIS  10   7.046   6.532  -3.706
   71    HA   HIS  10           HA       HIS  10   6.664   7.618  -1.161
   72   1HB   HIS  10           HB2      HIS  10   5.558   8.960  -3.637
   73   2HB   HIS  10           HB1      HIS  10   6.254   9.716  -2.204
   74    HD1  HIS  10           HD1      HIS  10   8.899   8.417  -1.850
   75    HD2  HIS  10           HD2      HIS  10   7.411   9.292  -5.645
   76    HE1  HIS  10           HE1      HIS  10  10.903   8.536  -3.398
   77    H    ARG  11           HN       ARG  11   4.697   8.836  -0.362
   78    HA   ARG  11           HA       ARG  11   2.504   7.144   0.031
   79   1HB   ARG  11           HB2      ARG  11   2.661  10.165   0.070
   80   2HB   ARG  11           HB1      ARG  11   1.228   9.271   0.578
   81   1HG   ARG  11           HG2      ARG  11   2.603   8.047   2.242
   82   2HG   ARG  11           HG1      ARG  11   4.005   9.006   1.764
   83   1HD   ARG  11           HD2      ARG  11   2.583  11.071   2.299
   84   2HD   ARG  11           HD1      ARG  11   1.464   9.959   3.089
   85    HE   ARG  11           HE       ARG  11   3.899   9.322   4.222
   86   1HH1  ARG  11          HH21      ARG  11   2.086  12.202   3.691
   87   2HH1  ARG  11          HH22      ARG  11   2.669  12.995   5.116
   88   1HH2  ARG  11          HH11      ARG  11   4.668  10.336   6.092
   89   2HH2  ARG  11          HH12      ARG  11   4.130  11.936   6.479
   90    H    ALA  12           HN       ALA  12   2.789   9.740  -2.420
   91    HA   ALA  12           HA       ALA  12   0.182   9.027  -3.536
   92   1HB   ALA  12           HB2      ALA  12   1.248  11.351  -3.568
   93   2HB   ALA  12           HB1      ALA  12   2.232  10.753  -4.905
   94   3HB   ALA  12           HB3      ALA  12   0.473  10.794  -5.049
   95    H    ASP  13           HN       ASP  13   3.403   7.864  -3.975
   96    HA   ASP  13           HA       ASP  13   3.115   7.013  -6.725
   97   1HB   ASP  13           HB2      ASP  13   4.780   5.994  -4.430
   98   2HB   ASP  13           HB1      ASP  13   4.852   5.262  -6.029
   99    H    VAL  14           HN       VAL  14   1.896   6.081  -3.685
  100    HA   VAL  14           HA       VAL  14   1.045   3.393  -4.479
  101    HB   VAL  14           HB       VAL  14   0.355   5.132  -2.082
  102   1HG1  VAL  14          HG13      VAL  14  -0.334   2.250  -2.718
  103   2HG1  VAL  14          HG12      VAL  14  -0.506   2.976  -1.122
  104   3HG1  VAL  14          HG11      VAL  14  -1.472   3.573  -2.470
  105   1HG2  VAL  14          HG21      VAL  14   2.222   2.783  -2.493
  106   2HG2  VAL  14          HG23      VAL  14   2.673   4.435  -2.073
  107   3HG2  VAL  14          HG22      VAL  14   1.798   3.437  -0.911
  108    H    ILE  15           HN       ILE  15  -0.793   6.394  -3.575
  109    HA   ILE  15           HA       ILE  15  -3.255   5.447  -4.709
  110    HB   ILE  15           HB       ILE  15  -2.313   8.307  -4.288
  111   1HG1  ILE  15          HG12      ILE  15  -3.827   8.144  -2.285
  112   2HG1  ILE  15          HG11      ILE  15  -3.991   6.429  -2.607
  113   1HG2  ILE  15          HG23      ILE  15  -5.011   7.105  -4.969
  114   2HG2  ILE  15          HG22      ILE  15  -4.835   8.726  -4.294
  115   3HG2  ILE  15          HG21      ILE  15  -4.126   8.344  -5.859
  116   1HD1  ILE  15          HD13      ILE  15  -1.250   7.585  -2.352
  117   2HD1  ILE  15          HD12      ILE  15  -2.183   7.306  -0.890
  118   3HD1  ILE  15          HD11      ILE  15  -1.807   5.964  -1.961
  119    H    ALA  16           HN       ALA  16  -0.859   7.766  -6.016
  120    HA   ALA  16           HA       ALA  16  -2.091   8.214  -8.500
  121   1HB   ALA  16           HB2      ALA  16  -0.004   9.335  -7.529
  122   2HB   ALA  16           HB1      ALA  16   0.900   7.961  -8.163
  123   3HB   ALA  16           HB3      ALA  16   0.015   9.019  -9.263
  124    H    GLY  17           HN       GLY  17   0.578   5.926  -7.907
  125   1HA   GLY  17           HA2      GLY  17   0.575   4.613 -10.365
  126   2HA   GLY  17           HA1      GLY  17   1.001   3.831  -8.844
  127    H    LEU  18           HN       LEU  18  -1.160   3.411  -7.464
  128    HA   LEU  18           HA       LEU  18  -2.609   1.389  -8.870
  129   1HB   LEU  18           HB2      LEU  18  -3.148   2.847  -6.275
  130   2HB   LEU  18           HB1      LEU  18  -4.120   1.486  -6.827
  131    HG   LEU  18           HG       LEU  18  -1.120   1.213  -6.645
  132   1HD1  LEU  18          HD12      LEU  18  -3.117   0.815  -4.399
  133   2HD1  LEU  18          HD11      LEU  18  -1.415   0.357  -4.343
  134   3HD1  LEU  18          HD13      LEU  18  -1.871   2.055  -4.458
  135   1HD2  LEU  18          HD22      LEU  18  -3.461  -0.712  -6.368
  136   2HD2  LEU  18          HD21      LEU  18  -2.376  -0.595  -7.753
  137   3HD2  LEU  18          HD23      LEU  18  -1.767  -1.164  -6.202
  138    H    LYS  19           HN       LYS  19  -3.853   4.496  -7.593
  139    HA   LYS  19           HA       LYS  19  -6.395   4.379  -8.788
  140   1HB   LYS  19           HB2      LYS  19  -5.445   6.112  -7.128
  141   2HB   LYS  19           HB1      LYS  19  -4.828   6.954  -8.549
  142   1HG   LYS  19           HG2      LYS  19  -7.140   6.999  -9.482
  143   2HG   LYS  19           HG1      LYS  19  -7.725   6.258  -7.990
  144   1HD   LYS  19           HD2      LYS  19  -6.929   8.158  -6.684
  145   2HD   LYS  19           HD1      LYS  19  -6.210   8.881  -8.122
  146   1HE   LYS  19           HE2      LYS  19  -9.157   8.241  -7.986
  147   2HE   LYS  19           HE1      LYS  19  -8.512   9.772  -7.395
  148   1HZ   LYS  19           HZ1      LYS  19  -7.338   9.448  -9.832
  149   2HZ   LYS  19           HZ3      LYS  19  -8.923   8.895 -10.085
  150   3HZ   LYS  19           HZ2      LYS  19  -8.656  10.464  -9.486
  151    H    LYS  20           HN       LYS  20  -3.372   4.633 -10.328
  152    HA   LYS  20           HA       LYS  20  -3.975   6.239 -12.579
  153   1HB   LYS  20           HB2      LYS  20  -1.701   5.209 -11.984
  154   2HB   LYS  20           HB1      LYS  20  -2.302   3.715 -12.704
  155   1HG   LYS  20           HG2      LYS  20  -2.746   4.938 -14.819
  156   2HG   LYS  20           HG1      LYS  20  -2.072   6.397 -14.100
  157   1HD   LYS  20           HD2      LYS  20  -0.454   3.848 -14.144
  158   2HD   LYS  20           HD1      LYS  20  -0.529   4.868 -15.579
  159   1HE   LYS  20           HE2      LYS  20   0.203   6.813 -14.131
  160   2HE   LYS  20           HE1      LYS  20   0.469   5.655 -12.826
  161   1HZ   LYS  20           HZ2      LYS  20   1.658   4.757 -15.240
  162   2HZ   LYS  20           HZ1      LYS  20   2.221   6.312 -14.847
  163   3HZ   LYS  20           HZ3      LYS  20   2.383   5.045 -13.730
  164    H    ARG  21           HN       ARG  21  -4.990   3.072 -11.684
  165    HA   ARG  21           HA       ARG  21  -6.241   2.616 -14.351
  166   1HB   ARG  21           HB2      ARG  21  -5.842   0.881 -11.887
  167   2HB   ARG  21           HB1      ARG  21  -6.884   0.403 -13.227
  168   1HG   ARG  21           HG2      ARG  21  -5.055   0.416 -14.777
  169   2HG   ARG  21           HG1      ARG  21  -4.003   1.222 -13.627
  170   1HD   ARG  21           HD2      ARG  21  -3.361  -0.757 -12.714
  171   2HD   ARG  21           HD1      ARG  21  -5.028  -1.264 -12.468
  172    HE   ARG  21           HE       ARG  21  -3.243  -2.277 -14.443
  173   1HH1  ARG  21          HH21      ARG  21  -6.443  -0.988 -14.270
  174   2HH1  ARG  21          HH22      ARG  21  -6.980  -1.802 -15.701
  175   1HH2  ARG  21          HH11      ARG  21  -3.936  -3.354 -16.285
  176   2HH2  ARG  21          HH12      ARG  21  -5.565  -3.144 -16.835
  177    H    LYS  22           HN       LYS  22  -7.610   1.471 -11.345
  178    HA   LYS  22           HA       LYS  22  -9.478   3.702 -11.143
  179   1HB   LYS  22           HB2      LYS  22 -10.171   1.361 -12.726
  180   2HB   LYS  22           HB1      LYS  22 -11.254   1.437 -11.348
  181   1HG   LYS  22           HG2      LYS  22 -10.709   3.841 -13.105
  182   2HG   LYS  22           HG1      LYS  22 -11.993   2.690 -13.462
  183   1HD   LYS  22           HD2      LYS  22 -11.839   3.858 -10.689
  184   2HD   LYS  22           HD1      LYS  22 -12.489   4.851 -11.990
  185   1HE   LYS  22           HE2      LYS  22 -14.124   3.063 -12.528
  186   2HE   LYS  22           HE1      LYS  22 -13.492   2.097 -11.195
  187   1HZ   LYS  22           HZ2      LYS  22 -13.980   4.240  -9.838
  188   2HZ   LYS  22           HZ1      LYS  22 -15.050   4.587 -11.111
  189   3HZ   LYS  22           HZ3      LYS  22 -15.243   3.165 -10.207
  190    H    LEU  23           HN       LEU  23  -7.669   2.851  -9.252
  191    HA   LEU  23           HA       LEU  23  -9.368   1.417  -7.218
  192   1HB   LEU  23           HB2      LEU  23  -6.360   1.635  -7.225
  193   2HB   LEU  23           HB1      LEU  23  -7.345   0.620  -6.185
  194    HG   LEU  23           HG       LEU  23  -7.219   0.316  -9.200
  195   1HD1  LEU  23          HD12      LEU  23  -5.713  -1.063  -6.960
  196   2HD1  LEU  23          HD11      LEU  23  -5.834  -1.727  -8.595
  197   3HD1  LEU  23          HD13      LEU  23  -5.033  -0.181  -8.323
  198   1HD2  LEU  23          HD22      LEU  23  -8.378  -1.342  -6.939
  199   2HD2  LEU  23          HD21      LEU  23  -9.261  -0.623  -8.283
  200   3HD2  LEU  23          HD23      LEU  23  -8.151  -1.966  -8.572
  201    H    SER  24           HN       SER  24  -9.407   2.253  -5.118
  202    HA   SER  24           HA       SER  24  -7.921   4.732  -4.506
  203   1HB   SER  24           HB2      SER  24 -10.122   5.799  -3.733
  204   2HB   SER  24           HB1      SER  24  -9.852   5.749  -5.473
  205    HG   SER  24           HG       SER  24 -11.782   4.844  -5.371
  206    H    LEU  25           HN       LEU  25  -7.204   4.463  -2.430
  207    HA   LEU  25           HA       LEU  25  -7.645   2.296  -0.783
  208   1HB   LEU  25           HB2      LEU  25  -7.328   5.121   0.264
  209   2HB   LEU  25           HB1      LEU  25  -6.915   3.633   1.118
  210    HG   LEU  25           HG       LEU  25  -5.650   4.314  -1.547
  211   1HD1  LEU  25          HD13      LEU  25  -5.255   6.192   0.039
  212   2HD1  LEU  25          HD12      LEU  25  -4.608   5.041   1.207
  213   3HD1  LEU  25          HD11      LEU  25  -3.772   5.307  -0.324
  214   1HD2  LEU  25          HD22      LEU  25  -4.879   2.551   0.805
  215   2HD2  LEU  25          HD21      LEU  25  -5.355   2.017  -0.806
  216   3HD2  LEU  25          HD23      LEU  25  -3.832   2.869  -0.577
  217    H    SER  26           HN       SER  26  -9.784   5.082  -1.113
  218    HA   SER  26           HA       SER  26 -11.410   4.459   1.177
  219   1HB   SER  26           HB2      SER  26 -12.112   5.939  -1.369
  220   2HB   SER  26           HB1      SER  26 -13.092   5.929   0.096
  221    HG   SER  26           HG       SER  26 -10.760   6.559   0.950
  222    H    ALA  27           HN       ALA  27 -11.519   3.461  -2.223
  223    HA   ALA  27           HA       ALA  27 -14.030   2.005  -1.869
  224   1HB   ALA  27           HB1      ALA  27 -13.426   2.974  -4.054
  225   2HB   ALA  27           HB3      ALA  27 -12.009   1.923  -4.127
  226   3HB   ALA  27           HB2      ALA  27 -13.628   1.226  -4.173
  227    H    LEU  28           HN       LEU  28 -10.588   1.099  -2.191
  228    HA   LEU  28           HA       LEU  28 -11.010  -1.723  -2.116
  229   1HB   LEU  28           HB2      LEU  28  -8.670   0.060  -1.441
  230   2HB   LEU  28           HB1      LEU  28  -8.578  -1.681  -1.191
  231    HG   LEU  28           HG       LEU  28  -8.992  -2.127  -3.508
  232   1HD1  LEU  28          HD12      LEU  28  -9.584   0.834  -3.693
  233   2HD1  LEU  28          HD11      LEU  28  -9.278  -0.163  -5.111
  234   3HD1  LEU  28          HD13      LEU  28 -10.662  -0.507  -4.075
  235   1HD2  LEU  28          HD22      LEU  28  -6.680  -1.268  -2.756
  236   2HD2  LEU  28          HD21      LEU  28  -7.020  -1.230  -4.487
  237   3HD2  LEU  28          HD23      LEU  28  -7.126   0.252  -3.535
  238    H    SER  29           HN       SER  29 -10.708   0.674   0.453
  239    HA   SER  29           HA       SER  29 -10.417  -1.205   2.609
  240   1HB   SER  29           HB2      SER  29 -11.047   0.656   4.057
  241   2HB   SER  29           HB1      SER  29  -9.937   1.223   2.812
  242    HG   SER  29           HG       SER  29 -11.913   1.775   1.612
  243    H    ARG  30           HN       ARG  30 -13.321   0.581   1.463
  244    HA   ARG  30           HA       ARG  30 -15.083  -0.901   3.189
  245   1HB   ARG  30           HB2      ARG  30 -16.873   0.249   2.116
  246   2HB   ARG  30           HB1      ARG  30 -15.529   1.387   2.172
  247   1HG   ARG  30           HG2      ARG  30 -14.919   0.561  -0.167
  248   2HG   ARG  30           HG1      ARG  30 -16.494  -0.226  -0.195
  249   1HD   ARG  30           HD2      ARG  30 -17.134   2.341   0.655
  250   2HD   ARG  30           HD1      ARG  30 -15.828   2.643  -0.487
  251    HE   ARG  30           HE       ARG  30 -18.470   2.102  -1.231
  252   1HH1  ARG  30          HH21      ARG  30 -15.363   0.694  -1.802
  253   2HH1  ARG  30          HH22      ARG  30 -15.841  -0.050  -3.288
  254   1HH2  ARG  30          HH11      ARG  30 -19.084   1.152  -3.166
  255   2HH2  ARG  30          HH12      ARG  30 -17.936   0.214  -4.062
  256    H    GLN  31           HN       GLN  31 -13.688  -1.651   0.115
  257    HA   GLN  31           HA       GLN  31 -15.748  -3.455  -0.798
  258   1HB   GLN  31           HB2      GLN  31 -12.881  -2.937  -1.487
  259   2HB   GLN  31           HB1      GLN  31 -13.579  -4.457  -2.030
  260   1HG   GLN  31           HG2      GLN  31 -15.393  -3.243  -3.158
  261   2HG   GLN  31           HG1      GLN  31 -14.736  -1.707  -2.590
  262   1HE2  GLN  31          HE22      GLN  31 -13.196  -3.417  -5.905
  263   2HE2  GLN  31          HE21      GLN  31 -14.563  -4.041  -5.117
  264    H    PHE  32           HN       PHE  32 -13.086  -3.774   1.472
  265    HA   PHE  32           HA       PHE  32 -13.619  -6.718   1.699
  266   1HB   PHE  32           HB2      PHE  32 -11.269  -4.971   2.471
  267   2HB   PHE  32           HB1      PHE  32 -11.478  -6.585   3.154
  268    HD1  PHE  32           HD2      PHE  32 -11.339  -8.594   1.759
  269    HD2  PHE  32           HD1      PHE  32 -10.823  -4.669   0.064
  270    HE1  PHE  32           HE2      PHE  32 -10.447  -9.612  -0.326
  271    HE2  PHE  32           HE1      PHE  32  -9.935  -5.686  -2.024
  272    HZ   PHE  32           HZ       PHE  32  -9.746  -8.158  -2.220
  273    H    GLY  33           HN       GLY  33 -14.026  -3.683   3.361
  274   1HA   GLY  33           HA2      GLY  33 -15.841  -3.760   5.102
  275   2HA   GLY  33           HA1      GLY  33 -15.024  -5.171   5.768
  276    H    TYR  34           HN       TYR  34 -12.374  -4.358   5.802
  277    HA   TYR  34           HA       TYR  34 -12.165  -2.916   8.179
  278   1HB   TYR  34           HB2      TYR  34 -10.089  -2.644   6.004
  279   2HB   TYR  34           HB1      TYR  34  -9.848  -2.683   7.751
  280    HD1  TYR  34           HD2      TYR  34 -11.216  -4.924   8.805
  281    HD2  TYR  34           HD1      TYR  34  -9.274  -4.575   4.973
  282    HE1  TYR  34           HE2      TYR  34 -10.952  -7.391   8.715
  283    HE2  TYR  34           HE1      TYR  34  -9.013  -7.040   4.887
  284    HH   TYR  34           HH       TYR  34  -8.910  -8.963   6.975
  285    H    ALA  35           HN       ALA  35 -12.765  -0.886   8.674
  286    HA   ALA  35           HA       ALA  35 -13.789   1.036   6.984
  287   1HB   ALA  35           HB3      ALA  35 -12.904   0.926   9.714
  288   2HB   ALA  35           HB2      ALA  35 -12.341   2.453   9.035
  289   3HB   ALA  35           HB1      ALA  35 -14.060   2.054   9.004
  290    HA   PRO  36           HA       PRO  36 -10.603   2.880   4.585
  291   1HB   PRO  36           HB2      PRO  36 -10.972   5.642   5.306
  292   2HB   PRO  36           HB1      PRO  36 -11.634   4.803   3.897
  293   1HG   PRO  36           HG2      PRO  36 -13.040   5.657   6.312
  294   2HG   PRO  36           HG1      PRO  36 -13.722   4.983   4.825
  295   1HD   PRO  36           HD2      PRO  36 -13.490   3.659   7.353
  296   2HD   PRO  36           HD1      PRO  36 -14.005   2.943   5.811
  297    H    THR  37           HN       THR  37 -10.778   3.810   7.970
  298    HA   THR  37           HA       THR  37  -8.220   5.058   8.199
  299    HB   THR  37           HB       THR  37  -8.421   4.495  10.622
  300    HG1  THR  37           HG1      THR  37  -9.828   3.048  11.265
  301   1HG2  THR  37          HG21      THR  37  -9.646   6.426   9.524
  302   2HG2  THR  37          HG23      THR  37 -11.072   5.389   9.469
  303   3HG2  THR  37          HG22      THR  37 -10.369   5.840  11.022
  304    H    THR  38           HN       THR  38  -9.185   1.667   8.794
  305    HA   THR  38           HA       THR  38  -6.655   0.662   9.518
  306    HB   THR  38           HB       THR  38  -9.027  -0.565   8.107
  307    HG1  THR  38           HG1      THR  38  -9.317  -0.179  10.254
  308   1HG2  THR  38          HG23      THR  38  -6.314  -1.751   8.552
  309   2HG2  THR  38          HG22      THR  38  -7.710  -2.763   8.912
  310   3HG2  THR  38          HG21      THR  38  -7.500  -2.101   7.292
  311    H    LEU  39           HN       LEU  39  -8.089   0.282   6.259
  312    HA   LEU  39           HA       LEU  39  -5.804  -0.576   4.927
  313   1HB   LEU  39           HB2      LEU  39  -8.133  -0.365   3.975
  314   2HB   LEU  39           HB1      LEU  39  -7.818   1.357   3.768
  315    HG   LEU  39           HG       LEU  39  -5.788   0.741   2.399
  316   1HD1  LEU  39          HD11      LEU  39  -6.913  -2.009   2.904
  317   2HD1  LEU  39          HD13      LEU  39  -6.110  -1.676   1.371
  318   3HD1  LEU  39          HD12      LEU  39  -5.232  -1.482   2.883
  319   1HD2  LEU  39          HD22      LEU  39  -8.493  -0.226   1.430
  320   2HD2  LEU  39          HD21      LEU  39  -7.898   1.432   1.375
  321   3HD2  LEU  39          HD23      LEU  39  -7.128   0.191   0.391
  322    H    ALA  40           HN       ALA  40  -6.893   2.847   4.993
  323    HA   ALA  40           HA       ALA  40  -4.586   3.935   3.791
  324   1HB   ALA  40           HB1      ALA  40  -6.738   5.158   4.351
  325   2HB   ALA  40           HB3      ALA  40  -6.157   5.269   6.011
  326   3HB   ALA  40           HB2      ALA  40  -5.263   6.053   4.709
  327    H    ASN  41           HN       ASN  41  -5.279   3.865   7.293
  328    HA   ASN  41           HA       ASN  41  -2.721   4.669   8.168
  329   1HB   ASN  41           HB2      ASN  41  -4.882   4.386   9.533
  330   2HB   ASN  41           HB1      ASN  41  -4.437   2.681   9.667
  331   1HD2  ASN  41          HD22      ASN  41  -2.947   4.398  12.608
  332   2HD2  ASN  41          HD21      ASN  41  -4.516   4.079  12.045
  333    H    ALA  42           HN       ALA  42  -3.502   1.812   6.528
  334    HA   ALA  42           HA       ALA  42  -1.657   0.034   7.880
  335   1HB   ALA  42           HB3      ALA  42  -3.595  -0.627   6.310
  336   2HB   ALA  42           HB2      ALA  42  -2.496  -0.222   4.989
  337   3HB   ALA  42           HB1      ALA  42  -2.077  -1.506   6.124
  338    H    LEU  43           HN       LEU  43  -1.124   2.776   6.091
  339    HA   LEU  43           HA       LEU  43   1.270   1.845   4.666
  340   1HB   LEU  43           HB2      LEU  43   0.297   4.679   5.136
  341   2HB   LEU  43           HB1      LEU  43   1.510   4.173   3.962
  342    HG   LEU  43           HG       LEU  43  -1.278   3.006   3.886
  343   1HD1  LEU  43          HD11      LEU  43  -0.340   5.575   2.574
  344   2HD1  LEU  43          HD13      LEU  43  -1.865   4.757   2.232
  345   3HD1  LEU  43          HD12      LEU  43  -1.571   5.439   3.831
  346   1HD2  LEU  43          HD23      LEU  43   0.894   3.473   1.815
  347   2HD2  LEU  43          HD22      LEU  43   0.433   1.918   2.507
  348   3HD2  LEU  43          HD21      LEU  43  -0.692   2.786   1.467
  349    H    GLU  44           HN       GLU  44   0.549   2.741   7.842
  350    HA   GLU  44           HA       GLU  44   3.447   3.295   8.397
  351   1HB   GLU  44           HB2      GLU  44   1.019   4.650   9.602
  352   2HB   GLU  44           HB1      GLU  44   2.653   4.808  10.244
  353   1HG   GLU  44           HG2      GLU  44   3.345   5.578   7.902
  354   2HG   GLU  44           HG1      GLU  44   1.621   5.715   7.549
  355    H    ARG  45           HN       ARG  45   0.361   2.028   9.642
  356    HA   ARG  45           HA       ARG  45   1.593   0.989  12.064
  357   1HB   ARG  45           HB2      ARG  45  -1.107   0.809  10.764
  358   2HB   ARG  45           HB1      ARG  45  -0.698  -0.418  11.967
  359   1HG   ARG  45           HG2      ARG  45  -0.147   1.366  13.584
  360   2HG   ARG  45           HG1      ARG  45  -0.594   2.585  12.395
  361   1HD   ARG  45           HD2      ARG  45  -2.872   1.447  12.279
  362   2HD   ARG  45           HD1      ARG  45  -2.399   0.531  13.706
  363    HE   ARG  45           HE       ARG  45  -3.373   3.231  13.660
  364   1HH1  ARG  45          HH21      ARG  45  -0.939   1.290  15.152
  365   2HH1  ARG  45          HH22      ARG  45  -0.597   2.451  16.388
  366   1HH2  ARG  45          HH11      ARG  45  -2.941   4.739  15.269
  367   2HH2  ARG  45          HH12      ARG  45  -1.728   4.396  16.458
  368    H    HIS  46           HN       HIS  46   2.353  -1.070  12.457
  369    HA   HIS  46           HA       HIS  46   3.274  -2.612  10.199
  370   1HB   HIS  46           HB2      HIS  46   4.501  -2.588  12.328
  371   2HB   HIS  46           HB1      HIS  46   3.132  -3.354  13.138
  372    HD1  HIS  46           HD1      HIS  46   5.832  -4.046  10.595
  373    HD2  HIS  46           HD2      HIS  46   2.870  -6.129  12.668
  374    HE1  HIS  46           HE1      HIS  46   6.254  -6.509  10.169
  375    H    TRP  47           HN       TRP  47   1.815  -3.638   8.959
  376    HA   TRP  47           HA       TRP  47   0.293  -5.854  10.022
  377   1HB   TRP  47           HB2      TRP  47  -1.240  -4.029  10.658
  378   2HB   TRP  47           HB1      TRP  47  -1.237  -3.437   8.998
  379    HD1  TRP  47           HD1      TRP  47  -1.634  -7.062  10.329
  380    HE1  TRP  47           HE1      TRP  47  -3.790  -8.043   9.324
  381    HE3  TRP  47           HE3      TRP  47  -3.363  -2.971   7.790
  382    HZ2  TRP  47           HZ2      TRP  47  -5.969  -7.216   7.659
  383    HZ3  TRP  47           HZ3      TRP  47  -5.485  -3.091   6.505
  384    HH2  TRP  47           HH2      TRP  47  -6.794  -5.208   6.441
  385    HA   PRO  48           HA       PRO  48   1.968  -5.801   5.665
  386   1HB   PRO  48           HB2      PRO  48   2.511  -8.650   6.163
  387   2HB   PRO  48           HB1      PRO  48   3.639  -7.360   5.718
  388   1HG   PRO  48           HG2      PRO  48   3.457  -8.551   8.266
  389   2HG   PRO  48           HG1      PRO  48   4.266  -7.014   7.905
  390   1HD   PRO  48           HD2      PRO  48   1.713  -7.472   9.301
  391   2HD   PRO  48           HD1      PRO  48   2.701  -5.990   9.241
  392    H    LYS  49           HN       LYS  49  -0.512  -7.668   7.266
  393    HA   LYS  49           HA       LYS  49  -1.371  -9.112   4.902
  394   1HB   LYS  49           HB2      LYS  49  -1.971  -9.618   7.368
  395   2HB   LYS  49           HB1      LYS  49  -3.171  -8.341   7.198
  396   1HG   LYS  49           HG2      LYS  49  -4.455 -10.181   6.589
  397   2HG   LYS  49           HG1      LYS  49  -3.852  -9.683   5.010
  398   1HD   LYS  49           HD2      LYS  49  -2.021 -11.334   5.188
  399   2HD   LYS  49           HD1      LYS  49  -2.614 -11.818   6.777
  400   1HE   LYS  49           HE2      LYS  49  -4.318 -11.941   4.280
  401   2HE   LYS  49           HE1      LYS  49  -3.358 -13.303   4.856
  402   1HZ   LYS  49           HZ1      LYS  49  -4.750 -12.321   7.043
  403   2HZ   LYS  49           HZ3      LYS  49  -5.869 -12.395   5.770
  404   3HZ   LYS  49           HZ2      LYS  49  -5.009 -13.789   6.225
  405    H    GLY  50           HN       GLY  50  -1.843  -5.883   6.115
  406   1HA   GLY  50           HA2      GLY  50  -4.176  -5.292   4.470
  407   2HA   GLY  50           HA1      GLY  50  -3.171  -4.101   5.302
  408    H    GLU  51           HN       GLU  51  -0.723  -5.336   4.053
  409    HA   GLU  51           HA       GLU  51  -0.632  -3.645   1.701
  410   1HB   GLU  51           HB2      GLU  51   1.287  -5.886   2.405
  411   2HB   GLU  51           HB1      GLU  51   1.616  -4.465   1.416
  412   1HG   GLU  51           HG2      GLU  51   0.828  -4.263   4.334
  413   2HG   GLU  51           HG1      GLU  51   2.504  -4.386   3.808
  414    H    GLN  52           HN       GLN  52  -1.129  -7.060   2.367
  415    HA   GLN  52           HA       GLN  52  -0.946  -8.030  -0.309
  416   1HB   GLN  52           HB2      GLN  52  -2.524  -8.996   2.092
  417   2HB   GLN  52           HB1      GLN  52  -2.447  -9.882   0.568
  418   1HG   GLN  52           HG2      GLN  52   0.009  -9.971   0.734
  419   2HG   GLN  52           HG1      GLN  52  -0.056  -9.082   2.254
  420   1HE2  GLN  52          HE22      GLN  52  -2.154 -12.260   3.235
  421   2HE2  GLN  52          HE21      GLN  52  -2.760 -10.835   2.539
  422    H    ILE  53           HN       ILE  53  -3.623  -6.559   1.524
  423    HA   ILE  53           HA       ILE  53  -5.705  -7.030  -0.365
  424    HB   ILE  53           HB       ILE  53  -5.225  -4.680   1.500
  425   1HG1  ILE  53          HG12      ILE  53  -7.131  -7.039   1.697
  426   2HG1  ILE  53          HG11      ILE  53  -5.563  -6.971   2.499
  427   1HG2  ILE  53          HG23      ILE  53  -7.631  -5.395  -0.200
  428   2HG2  ILE  53          HG22      ILE  53  -7.709  -4.280   1.162
  429   3HG2  ILE  53          HG21      ILE  53  -6.709  -3.892  -0.232
  430   1HD1  ILE  53          HD13      ILE  53  -6.534  -4.647   3.421
  431   2HD1  ILE  53          HD12      ILE  53  -8.075  -5.446   3.115
  432   3HD1  ILE  53          HD11      ILE  53  -6.911  -6.172   4.216
  433    H    ILE  54           HN       ILE  54  -3.588  -4.164  -0.029
  434    HA   ILE  54           HA       ILE  54  -4.460  -2.887  -2.426
  435    HB   ILE  54           HB       ILE  54  -1.883  -2.683  -0.846
  436   1HG1  ILE  54          HG12      ILE  54  -4.268  -0.818  -1.071
  437   2HG1  ILE  54          HG11      ILE  54  -4.070  -2.006   0.219
  438   1HG2  ILE  54          HG21      ILE  54  -2.857  -1.182  -3.274
  439   2HG2  ILE  54          HG23      ILE  54  -1.756  -0.427  -2.126
  440   3HG2  ILE  54          HG22      ILE  54  -1.268  -1.885  -2.984
  441   1HD1  ILE  54          HD11      ILE  54  -1.674  -0.766   0.441
  442   2HD1  ILE  54          HD13      ILE  54  -2.613   0.573  -0.221
  443   3HD1  ILE  54          HD12      ILE  54  -3.107  -0.192   1.285
  444    H    ALA  55           HN       ALA  55  -1.523  -4.859  -1.827
  445    HA   ALA  55           HA       ALA  55  -0.557  -4.804  -4.497
  446   1HB   ALA  55           HB1      ALA  55  -0.303  -6.974  -2.391
  447   2HB   ALA  55           HB3      ALA  55   0.658  -6.892  -3.868
  448   3HB   ALA  55           HB2      ALA  55   0.813  -5.631  -2.644
  449    H    ASN  56           HN       ASN  56  -2.978  -6.855  -2.940
  450    HA   ASN  56           HA       ASN  56  -3.233  -8.844  -4.940
  451   1HB   ASN  56           HB2      ASN  56  -4.425  -9.045  -2.811
  452   2HB   ASN  56           HB1      ASN  56  -5.396  -7.621  -3.194
  453   1HD2  ASN  56          HD22      ASN  56  -6.403 -11.223  -4.782
  454   2HD2  ASN  56          HD21      ASN  56  -5.050 -11.057  -3.772
  455    H    ALA  57           HN       ALA  57  -4.466  -5.546  -4.790
  456    HA   ALA  57           HA       ALA  57  -6.295  -5.707  -6.962
  457   1HB   ALA  57           HB2      ALA  57  -5.888  -3.771  -5.286
  458   2HB   ALA  57           HB1      ALA  57  -4.631  -3.252  -6.409
  459   3HB   ALA  57           HB3      ALA  57  -6.307  -3.347  -6.945
  460    H    LEU  58           HN       LEU  58  -2.783  -5.134  -6.929
  461    HA   LEU  58           HA       LEU  58  -2.746  -4.840  -9.867
  462   1HB   LEU  58           HB2      LEU  58  -0.531  -4.933  -7.798
  463   2HB   LEU  58           HB1      LEU  58  -0.277  -4.659  -9.513
  464    HG   LEU  58           HG       LEU  58  -2.021  -2.911  -7.758
  465   1HD1  LEU  58          HD12      LEU  58   0.823  -2.509  -8.738
  466   2HD1  LEU  58          HD11      LEU  58  -0.132  -1.308  -7.871
  467   3HD1  LEU  58          HD13      LEU  58   0.340  -2.805  -7.069
  468   1HD2  LEU  58          HD22      LEU  58  -1.137  -2.821 -10.648
  469   2HD2  LEU  58          HD21      LEU  58  -2.741  -2.544  -9.973
  470   3HD2  LEU  58          HD23      LEU  58  -1.487  -1.321  -9.791
  471    H    GLU  59           HN       GLU  59  -3.122  -7.405  -7.877
  472    HA   GLU  59           HA       GLU  59  -2.759  -9.711  -8.147
  473   1HB   GLU  59           HB2      GLU  59  -3.493  -8.924 -10.543
  474   2HB   GLU  59           HB1      GLU  59  -1.797  -9.151 -10.956
  475   1HG   GLU  59           HG2      GLU  59  -1.901 -11.486 -10.202
  476   2HG   GLU  59           HG1      GLU  59  -3.584 -11.265  -9.715
  477    H    THR  60           HN       THR  60  -0.526  -7.694  -7.516
  478    HA   THR  60           HA       THR  60   1.827  -9.404  -8.271
  479    HB   THR  60           HB       THR  60   1.761  -6.930  -8.953
  480    HG1  THR  60           HG1      THR  60   3.743  -7.632  -9.053
  481   1HG2  THR  60          HG23      THR  60   0.876  -6.326  -6.552
  482   2HG2  THR  60          HG22      THR  60   2.585  -6.374  -6.116
  483   3HG2  THR  60          HG21      THR  60   2.023  -5.247  -7.349
  484    H    LYS  61           HN       LYS  61   3.625  -8.629  -6.377
  485    HA   LYS  61           HA       LYS  61   2.426  -9.705  -3.867
  486   1HB   LYS  61           HB2      LYS  61   5.386  -9.570  -4.448
  487   2HB   LYS  61           HB1      LYS  61   4.529 -10.675  -3.377
  488   1HG   LYS  61           HG2      LYS  61   4.800 -12.131  -5.145
  489   2HG   LYS  61           HG1      LYS  61   3.331 -11.354  -5.714
  490   1HD   LYS  61           HD2      LYS  61   4.692 -11.154  -7.598
  491   2HD   LYS  61           HD1      LYS  61   5.017  -9.622  -6.795
  492   1HE   LYS  61           HE2      LYS  61   7.171 -10.422  -7.289
  493   2HE   LYS  61           HE1      LYS  61   6.948 -10.914  -5.612
  494   1HZ   LYS  61           HZ2      LYS  61   6.430 -12.625  -7.985
  495   2HZ   LYS  61           HZ1      LYS  61   7.801 -12.722  -6.986
  496   3HZ   LYS  61           HZ3      LYS  61   6.270 -13.096  -6.360
  497    HA   PRO  62           HA       PRO  62   3.099  -5.760  -1.936
  498   1HB   PRO  62           HB2      PRO  62   4.060  -6.720   0.591
  499   2HB   PRO  62           HB1      PRO  62   2.391  -6.297   0.178
  500   1HG   PRO  62           HG2      PRO  62   3.575  -8.975   0.507
  501   2HG   PRO  62           HG1      PRO  62   1.866  -8.520   0.421
  502   1HD   PRO  62           HD2      PRO  62   3.343  -9.823  -1.621
  503   2HD   PRO  62           HD1      PRO  62   1.741  -9.076  -1.799
  504    H    GLU  63           HN       GLU  63   5.590  -8.210  -1.966
  505    HA   GLU  63           HA       GLU  63   7.812  -6.703  -1.030
  506   1HB   GLU  63           HB2      GLU  63   7.616  -8.973  -3.025
  507   2HB   GLU  63           HB1      GLU  63   9.155  -8.312  -2.474
  508   1HG   GLU  63           HG2      GLU  63   8.683 -10.196  -1.067
  509   2HG   GLU  63           HG1      GLU  63   8.369  -8.759  -0.097
  510    H    VAL  64           HN       VAL  64   5.946  -6.202  -3.837
  511    HA   VAL  64           HA       VAL  64   8.189  -5.023  -5.387
  512    HB   VAL  64           HB       VAL  64   5.233  -5.113  -6.059
  513   1HG1  VAL  64          HG13      VAL  64   7.735  -4.642  -7.712
  514   2HG1  VAL  64          HG12      VAL  64   6.119  -4.852  -8.386
  515   3HG1  VAL  64          HG11      VAL  64   6.471  -3.463  -7.359
  516   1HG2  VAL  64          HG22      VAL  64   7.469  -7.018  -6.822
  517   2HG2  VAL  64          HG21      VAL  64   6.139  -7.384  -5.723
  518   3HG2  VAL  64          HG23      VAL  64   5.816  -7.085  -7.432
  519    H    ILE  65           HN       ILE  65   5.363  -4.003  -3.520
  520    HA   ILE  65           HA       ILE  65   5.752  -1.175  -4.303
  521    HB   ILE  65           HB       ILE  65   3.801  -2.451  -2.375
  522   1HG1  ILE  65          HG12      ILE  65   3.079  -1.315  -5.073
  523   2HG1  ILE  65          HG11      ILE  65   3.779  -2.932  -4.999
  524   1HG2  ILE  65          HG22      ILE  65   4.097   0.352  -3.463
  525   2HG2  ILE  65          HG21      ILE  65   2.589  -0.240  -2.768
  526   3HG2  ILE  65          HG23      ILE  65   4.044  -0.156  -1.775
  527   1HD1  ILE  65          HD12      ILE  65   2.011  -3.579  -3.348
  528   2HD1  ILE  65          HD11      ILE  65   1.268  -1.995  -3.575
  529   3HD1  ILE  65          HD13      ILE  65   1.359  -3.130  -4.922
  530    H    TRP  66           HN       TRP  66   6.776  -3.310  -1.748
  531    HA   TRP  66           HA       TRP  66   7.985  -0.960  -0.343
  532   1HB   TRP  66           HB2      TRP  66   6.421  -3.211   0.932
  533   2HB   TRP  66           HB1      TRP  66   7.504  -2.159   1.842
  534    HD1  TRP  66           HD1      TRP  66   6.904   0.492   1.849
  535    HE1  TRP  66           HE1      TRP  66   4.625   1.684   1.672
  536    HE3  TRP  66           HE3      TRP  66   4.074  -3.331  -0.019
  537    HZ2  TRP  66           HZ2      TRP  66   1.941   1.093   0.840
  538    HZ3  TRP  66           HZ3      TRP  66   1.658  -2.995  -0.497
  539    HH2  TRP  66           HH2      TRP  66   0.592  -0.789  -0.071
  540    HA   PRO  67           HA       PRO  67  10.999  -4.446  -1.027
  541   1HB   PRO  67           HB2      PRO  67  12.819  -2.879  -2.496
  542   2HB   PRO  67           HB1      PRO  67  11.621  -3.985  -3.191
  543   1HG   PRO  67           HG2      PRO  67  11.611  -1.036  -3.183
  544   2HG   PRO  67           HG1      PRO  67  10.629  -2.147  -4.150
  545   1HD   PRO  67           HD2      PRO  67   9.791  -0.650  -1.835
  546   2HD   PRO  67           HD1      PRO  67   8.840  -1.829  -2.757
  547    H    SER  68           HN       SER  68  11.834  -0.972  -0.554
  548    HA   SER  68           HA       SER  68  14.252  -1.428   0.878
  549   1HB   SER  68           HB2      SER  68  13.251   0.782  -0.095
  550   2HB   SER  68           HB1      SER  68  12.483   0.932   1.484
  551    HG   SER  68           HG       SER  68  15.103   0.213   1.653
  552    H    ARG  69           HN       ARG  69  11.301  -2.467   1.787
  553    HA   ARG  69           HA       ARG  69  11.704  -1.990   4.712
  554   1HB   ARG  69           HB2      ARG  69   9.359  -2.906   3.040
  555   2HB   ARG  69           HB1      ARG  69   9.373  -3.113   4.787
  556   1HG   ARG  69           HG2      ARG  69   9.993  -0.412   3.592
  557   2HG   ARG  69           HG1      ARG  69   8.325  -0.926   3.747
  558   1HD   ARG  69           HD2      ARG  69  10.353  -0.577   5.962
  559   2HD   ARG  69           HD1      ARG  69   8.869   0.332   5.732
  560    HE   ARG  69           HE       ARG  69   9.153  -2.124   7.182
  561   1HH1  ARG  69          HH21      ARG  69   7.051  -0.598   4.906
  562   2HH1  ARG  69          HH22      ARG  69   5.758  -1.718   5.167
  563   1HH2  ARG  69          HH11      ARG  69   7.472  -3.574   7.528
  564   2HH2  ARG  69          HH12      ARG  69   5.992  -3.392   6.649
  565    H    TYR  70           HN       TYR  70  11.815  -4.393   2.211
  566    HA   TYR  70           HA       TYR  70  12.142  -6.597   4.221
  567   1HB   TYR  70           HB2      TYR  70  11.503  -6.506   1.259
  568   2HB   TYR  70           HB1      TYR  70  12.045  -7.996   2.026
  569    HD1  TYR  70           HD2      TYR  70  10.773  -8.770   4.172
  570    HD2  TYR  70           HD1      TYR  70   9.250  -5.893   1.364
  571    HE1  TYR  70           HE2      TYR  70   8.468  -9.157   5.029
  572    HE2  TYR  70           HE1      TYR  70   6.940  -6.266   2.219
  573    HH   TYR  70           HH       TYR  70   5.956  -8.782   3.795
  574    H    GLN  71           HN       GLN  71  13.819  -8.312   3.051
  575    HA   GLN  71           HA       GLN  71  16.103  -6.982   1.801
  576   1HB   GLN  71           HB2      GLN  71  16.451  -6.370   4.166
  577   2HB   GLN  71           HB1      GLN  71  16.371  -8.075   4.619
  578   1HG   GLN  71           HG2      GLN  71  18.383  -8.589   3.465
  579   2HG   GLN  71           HG1      GLN  71  18.355  -7.068   2.572
  580   1HE2  GLN  71          HE22      GLN  71  19.175  -6.644   6.579
  581   2HE2  GLN  71          HE21      GLN  71  17.877  -7.627   6.097
  582    H    ALA  72           HN       ALA  72  15.890  -8.590   0.206
  583    HA   ALA  72           HA       ALA  72  16.097 -10.728  -0.751
  584   1HB   ALA  72           HB2      ALA  72  18.428 -10.240   0.134
  585   2HB   ALA  72           HB1      ALA  72  18.009 -11.207   1.548
  586   3HB   ALA  72           HB3      ALA  72  18.042 -11.951  -0.051
  587    H    GLY  73           HN       GLY  73  13.949 -11.433  -0.191
  588   1HA   GLY  73           HA2      GLY  73  13.475 -12.784   2.355
  589   2HA   GLY  73           HA1      GLY  73  12.349 -12.705   1.000
  590    H    GLU  74           HN       GLU  74  12.317 -15.114   1.971
  591    HA   GLU  74           HA       GLU  74  14.433 -16.788   0.728
  592   1HB   GLU  74           HB2      GLU  74  13.177 -18.661   1.867
  593   2HB   GLU  74           HB1      GLU  74  13.810 -17.437   2.969
  594   1HG   GLU  74           HG2      GLU  74  11.638 -16.372   3.130
  595   2HG   GLU  74           HG1      GLU  74  10.979 -17.440   1.887
   
  No H/Q in entry =         595
  Start of MODEL          21
 Raw file had  612 H/Q atoms
  Start of MODEL   21
    1   1H    CYS   1           HT2      CYS   1  19.040  14.027   2.423
    2   2H    CYS   1           HT1      CYS   1  20.417  14.658   1.653
    3   3H    CYS   1           HT3      CYS   1  20.488  14.224   3.290
    4    HA   CYS   1           HA       CYS   1  20.073  16.345   3.751
    5   1HB   CYS   1           HB2      CYS   1  18.875  16.750   1.004
    6   2HB   CYS   1           HB1      CYS   1  19.597  17.963   2.062
    7    HG   CYS   1           HG       CYS   1  21.648  15.856   1.406
    8    H    SER   2           HN       SER   2  17.503  14.758   1.871
    9    HA   SER   2           HA       SER   2  15.612  15.272   4.069
   10   1HB   SER   2           HB2      SER   2  15.190  17.301   2.923
   11   2HB   SER   2           HB1      SER   2  15.370  16.547   1.342
   12    HG   SER   2           HG       SER   2  13.317  15.990   3.231
   13    H    ASN   3           HN       ASN   3  15.034  14.612   0.621
   14    HA   ASN   3           HA       ASN   3  13.859  12.818  -0.357
   15   1HB   ASN   3           HB2      ASN   3  15.603  11.163   1.481
   16   2HB   ASN   3           HB1      ASN   3  14.986  10.720  -0.112
   17   1HD2  ASN   3          HD22      ASN   3  17.262  13.644  -1.267
   18   2HD2  ASN   3          HD21      ASN   3  15.597  13.676  -0.939
   19    H    GLU   4           HN       GLU   4  11.988  13.657   1.130
   20    HA   GLU   4           HA       GLU   4  11.318  12.021   3.434
   21   1HB   GLU   4           HB2      GLU   4   9.174  13.204   3.374
   22   2HB   GLU   4           HB1      GLU   4  10.494  14.352   3.145
   23   1HG   GLU   4           HG2      GLU   4  10.157  14.070   0.641
   24   2HG   GLU   4           HG1      GLU   4   8.677  13.190   1.021
   25    H    LYS   5           HN       LYS   5  11.357  11.337   0.184
   26    HA   LYS   5           HA       LYS   5   8.891   9.706   0.150
   27   1HB   LYS   5           HB2      LYS   5   9.533   9.185  -2.159
   28   2HB   LYS   5           HB1      LYS   5   9.589  10.926  -1.890
   29   1HG   LYS   5           HG2      LYS   5  12.072  10.635  -1.374
   30   2HG   LYS   5           HG1      LYS   5  11.918   8.997  -2.009
   31   1HD   LYS   5           HD2      LYS   5  11.209  11.523  -3.534
   32   2HD   LYS   5           HD1      LYS   5  12.694  10.597  -3.747
   33   1HE   LYS   5           HE2      LYS   5  11.156   8.579  -4.211
   34   2HE   LYS   5           HE1      LYS   5   9.860   9.765  -4.387
   35   1HZ   LYS   5           HZ1      LYS   5  12.131  10.616  -5.822
   36   2HZ   LYS   5           HZ3      LYS   5  11.749   9.030  -6.283
   37   3HZ   LYS   5           HZ2      LYS   5  10.577  10.255  -6.405
   38    H    ALA   6           HN       ALA   6  11.916   9.314   1.422
   39    HA   ALA   6           HA       ALA   6  13.261   7.438   1.908
   40   1HB   ALA   6           HB2      ALA   6  11.088   7.121   3.212
   41   2HB   ALA   6           HB1      ALA   6  10.609   5.990   1.947
   42   3HB   ALA   6           HB3      ALA   6  12.036   5.661   2.927
   43    H    ARG   7           HN       ARG   7  12.519   4.653   1.309
   44    HA   ARG   7           HA       ARG   7  13.320   4.634  -1.566
   45   1HB   ARG   7           HB2      ARG   7  13.108   2.163   0.162
   46   2HB   ARG   7           HB1      ARG   7  14.194   2.484  -1.188
   47   1HG   ARG   7           HG2      ARG   7  14.342   3.818   1.529
   48   2HG   ARG   7           HG1      ARG   7  15.380   2.507   0.978
   49   1HD   ARG   7           HD2      ARG   7  15.973   4.034  -1.009
   50   2HD   ARG   7           HD1      ARG   7  15.231   5.335  -0.077
   51    HE   ARG   7           HE       ARG   7  17.017   4.182   1.699
   52   1HH1  ARG   7          HH21      ARG   7  17.137   5.460  -1.506
   53   2HH1  ARG   7          HH22      ARG   7  18.782   5.987  -1.375
   54   1HH2  ARG   7          HH11      ARG   7  19.160   4.871   1.888
   55   2HH2  ARG   7          HH12      ARG   7  19.924   5.661   0.548
   56    H    ASP   8           HN       ASP   8  10.697   4.014   0.557
   57    HA   ASP   8           HA       ASP   8   9.293   2.088  -1.058
   58   1HB   ASP   8           HB2      ASP   8   7.987   3.994   0.887
   59   2HB   ASP   8           HB1      ASP   8   7.516   2.339   0.479
   60    H    TRP   9           HN       TRP   9   7.063   2.571  -1.827
   61    HA   TRP   9           HA       TRP   9   7.093   4.545  -3.941
   62   1HB   TRP   9           HB2      TRP   9   4.978   2.733  -2.724
   63   2HB   TRP   9           HB1      TRP   9   4.639   3.803  -4.074
   64    HD1  TRP   9           HD1      TRP   9   7.790   1.612  -3.509
   65    HE1  TRP   9           HE1      TRP   9   8.061   0.061  -5.545
   66    HE3  TRP   9           HE3      TRP   9   3.531   2.787  -6.082
   67    HZ2  TRP   9           HZ2      TRP   9   6.635  -0.643  -7.933
   68    HZ3  TRP   9           HZ3      TRP   9   2.993   1.643  -8.223
   69    HH2  TRP   9           HH2      TRP   9   4.543  -0.068  -9.152
   70    H    HIS  10           HN       HIS  10   6.930   6.725  -3.350
   71    HA   HIS  10           HA       HIS  10   6.126   7.859  -0.971
   72   1HB   HIS  10           HB2      HIS  10   6.956   9.078  -3.063
   73   2HB   HIS  10           HB1      HIS  10   5.281   9.065  -3.619
   74    HD1  HIS  10           HD1      HIS  10   6.641   9.699  -0.113
   75    HD2  HIS  10           HD2      HIS  10   4.391  11.632  -3.043
   76    HE1  HIS  10           HE1      HIS  10   5.831  11.865   0.920
   77    H    ARG  11           HN       ARG  11   4.096   8.764  -0.188
   78    HA   ARG  11           HA       ARG  11   1.907   7.016  -0.246
   79   1HB   ARG  11           HB2      ARG  11   2.176   8.830   1.418
   80   2HB   ARG  11           HB1      ARG  11   1.803  10.017   0.171
   81   1HG   ARG  11           HG2      ARG  11  -0.416   9.111  -0.127
   82   2HG   ARG  11           HG1      ARG  11  -0.050   7.743   0.908
   83   1HD   ARG  11           HD2      ARG  11  -0.609   8.914   2.772
   84   2HD   ARG  11           HD1      ARG  11   0.452  10.250   2.340
   85    HE   ARG  11           HE       ARG  11  -2.404  10.229   2.158
   86   1HH1  ARG  11          HH21      ARG  11   0.338  11.050   0.239
   87   2HH1  ARG  11          HH22      ARG  11  -0.545  12.127  -0.788
   88   1HH2  ARG  11          HH11      ARG  11  -3.562  11.627   0.837
   89   2HH2  ARG  11          HH12      ARG  11  -2.749  12.457  -0.451
   90    H    ALA  12           HN       ALA  12   2.852   9.398  -2.591
   91    HA   ALA  12           HA       ALA  12   0.221   9.343  -3.947
   92   1HB   ALA  12           HB2      ALA  12   2.841  10.673  -4.697
   93   2HB   ALA  12           HB1      ALA  12   1.320  10.866  -5.572
   94   3HB   ALA  12           HB3      ALA  12   1.466  11.453  -3.915
   95    H    ASP  13           HN       ASP  13   3.417   7.896  -4.211
   96    HA   ASP  13           HA       ASP  13   3.068   6.906  -6.901
   97   1HB   ASP  13           HB2      ASP  13   4.849   6.048  -4.619
   98   2HB   ASP  13           HB1      ASP  13   4.901   5.279  -6.205
   99    H    VAL  14           HN       VAL  14   1.980   5.918  -3.757
  100    HA   VAL  14           HA       VAL  14   1.279   3.190  -4.549
  101    HB   VAL  14           HB       VAL  14   0.654   4.924  -2.145
  102   1HG1  VAL  14          HG12      VAL  14  -0.520   2.249  -2.911
  103   2HG1  VAL  14          HG11      VAL  14  -0.356   2.718  -1.220
  104   3HG1  VAL  14          HG13      VAL  14  -1.356   3.680  -2.309
  105   1HG2  VAL  14          HG21      VAL  14   2.899   3.822  -2.393
  106   2HG2  VAL  14          HG23      VAL  14   2.008   3.288  -0.970
  107   3HG2  VAL  14          HG22      VAL  14   2.080   2.260  -2.403
  108    H    ILE  15           HN       ILE  15  -0.645   6.110  -3.747
  109    HA   ILE  15           HA       ILE  15  -3.078   4.951  -4.824
  110    HB   ILE  15           HB       ILE  15  -2.485   7.859  -4.211
  111   1HG1  ILE  15          HG12      ILE  15  -3.741   5.735  -2.435
  112   2HG1  ILE  15          HG11      ILE  15  -2.054   6.223  -2.318
  113   1HG2  ILE  15          HG21      ILE  15  -5.058   6.262  -4.451
  114   2HG2  ILE  15          HG23      ILE  15  -4.968   7.936  -3.911
  115   3HG2  ILE  15          HG22      ILE  15  -4.502   7.518  -5.557
  116   1HD1  ILE  15          HD13      ILE  15  -3.047   8.650  -2.112
  117   2HD1  ILE  15          HD12      ILE  15  -4.521   7.797  -1.645
  118   3HD1  ILE  15          HD11      ILE  15  -3.045   7.585  -0.708
  119    H    ALA  16           HN       ALA  16  -0.862   7.516  -6.041
  120    HA   ALA  16           HA       ALA  16  -2.300   8.072  -8.417
  121   1HB   ALA  16           HB1      ALA  16  -0.199   9.256  -7.538
  122   2HB   ALA  16           HB3      ALA  16   0.720   7.961  -8.307
  123   3HB   ALA  16           HB2      ALA  16  -0.296   9.020  -9.282
  124    H    GLY  17           HN       GLY  17   0.143   5.579  -7.780
  125   1HA   GLY  17           HA2      GLY  17   0.188   4.505 -10.439
  126   2HA   GLY  17           HA1      GLY  17   0.748   3.672  -8.990
  127    H    LEU  18           HN       LEU  18  -1.497   3.327  -7.495
  128    HA   LEU  18           HA       LEU  18  -2.862   1.218  -8.899
  129   1HB   LEU  18           HB2      LEU  18  -3.558   2.639  -6.310
  130   2HB   LEU  18           HB1      LEU  18  -4.305   1.146  -6.860
  131    HG   LEU  18           HG       LEU  18  -1.307   1.311  -6.596
  132   1HD1  LEU  18          HD13      LEU  18  -2.395   2.029  -4.416
  133   2HD1  LEU  18          HD12      LEU  18  -3.195   0.460  -4.380
  134   3HD1  LEU  18          HD11      LEU  18  -1.438   0.557  -4.309
  135   1HD2  LEU  18          HD23      LEU  18  -3.344  -0.934  -6.353
  136   2HD2  LEU  18          HD22      LEU  18  -2.291  -0.640  -7.733
  137   3HD2  LEU  18          HD21      LEU  18  -1.599  -1.126  -6.189
  138    H    LYS  19           HN       LYS  19  -3.745   4.533  -8.075
  139    HA   LYS  19           HA       LYS  19  -6.459   4.448  -8.946
  140   1HB   LYS  19           HB2      LYS  19  -5.525   6.259  -7.554
  141   2HB   LYS  19           HB1      LYS  19  -4.544   6.797  -8.912
  142   1HG   LYS  19           HG2      LYS  19  -6.411   7.506 -10.153
  143   2HG   LYS  19           HG1      LYS  19  -7.537   6.542  -9.201
  144   1HD   LYS  19           HD2      LYS  19  -5.983   8.664  -7.747
  145   2HD   LYS  19           HD1      LYS  19  -7.265   9.203  -8.827
  146   1HE   LYS  19           HE2      LYS  19  -8.113   8.884  -6.527
  147   2HE   LYS  19           HE1      LYS  19  -8.886   7.767  -7.651
  148   1HZ   LYS  19           HZ3      LYS  19  -7.244   6.081  -6.968
  149   2HZ   LYS  19           HZ2      LYS  19  -6.641   7.160  -5.802
  150   3HZ   LYS  19           HZ1      LYS  19  -8.237   6.586  -5.689
  151    H    LYS  20           HN       LYS  20  -3.541   4.422 -10.789
  152    HA   LYS  20           HA       LYS  20  -4.327   5.814 -13.108
  153   1HB   LYS  20           HB2      LYS  20  -2.470   3.522 -12.599
  154   2HB   LYS  20           HB1      LYS  20  -2.901   3.839 -14.270
  155   1HG   LYS  20           HG2      LYS  20  -1.993   6.126 -12.525
  156   2HG   LYS  20           HG1      LYS  20  -0.794   5.027 -13.204
  157   1HD   LYS  20           HD2      LYS  20  -1.685   5.449 -15.474
  158   2HD   LYS  20           HD1      LYS  20  -2.867   6.568 -14.795
  159   1HE   LYS  20           HE2      LYS  20  -1.143   8.074 -14.065
  160   2HE   LYS  20           HE1      LYS  20   0.120   6.897 -14.424
  161   1HZ   LYS  20           HZ2      LYS  20  -1.124   7.087 -16.784
  162   2HZ   LYS  20           HZ1      LYS  20  -1.310   8.674 -16.203
  163   3HZ   LYS  20           HZ3      LYS  20   0.241   8.003 -16.354
  164    H    ARG  21           HN       ARG  21  -5.302   2.680 -11.934
  165    HA   ARG  21           HA       ARG  21  -6.884   2.187 -14.405
  166   1HB   ARG  21           HB2      ARG  21  -6.377   0.572 -11.871
  167   2HB   ARG  21           HB1      ARG  21  -7.555   0.090 -13.087
  168   1HG   ARG  21           HG2      ARG  21  -5.714  -1.102 -13.853
  169   2HG   ARG  21           HG1      ARG  21  -5.466   0.399 -14.738
  170   1HD   ARG  21           HD2      ARG  21  -4.052   1.158 -12.721
  171   2HD   ARG  21           HD1      ARG  21  -4.085  -0.539 -12.214
  172    HE   ARG  21           HE       ARG  21  -3.250  -0.693 -14.833
  173   1HH1  ARG  21          HH21      ARG  21  -2.322   1.151 -12.073
  174   2HH1  ARG  21          HH22      ARG  21  -0.648   1.215 -12.513
  175   1HH2  ARG  21          HH11      ARG  21  -1.075  -0.622 -15.423
  176   2HH2  ARG  21          HH12      ARG  21   0.058   0.214 -14.415
  177    H    LYS  22           HN       LYS  22  -8.018   1.235 -11.283
  178    HA   LYS  22           HA       LYS  22  -9.714   3.587 -10.930
  179   1HB   LYS  22           HB2      LYS  22 -10.878   0.888 -11.701
  180   2HB   LYS  22           HB1      LYS  22 -11.823   2.126 -10.879
  181   1HG   LYS  22           HG2      LYS  22 -11.099   3.703 -12.789
  182   2HG   LYS  22           HG1      LYS  22 -10.591   2.244 -13.637
  183   1HD   LYS  22           HD2      LYS  22 -12.935   1.329 -13.180
  184   2HD   LYS  22           HD1      LYS  22 -13.373   2.968 -12.699
  185   1HE   LYS  22           HE2      LYS  22 -12.500   3.749 -14.948
  186   2HE   LYS  22           HE1      LYS  22 -12.382   2.051 -15.407
  187   1HZ   LYS  22           HZ3      LYS  22 -14.784   1.874 -14.752
  188   2HZ   LYS  22           HZ2      LYS  22 -14.814   3.570 -14.669
  189   3HZ   LYS  22           HZ1      LYS  22 -14.475   2.795 -16.142
  190    H    LEU  23           HN       LEU  23  -7.994   3.123  -9.091
  191    HA   LEU  23           HA       LEU  23  -9.367   1.498  -6.964
  192   1HB   LEU  23           HB2      LEU  23  -6.394   1.763  -7.349
  193   2HB   LEU  23           HB1      LEU  23  -7.202   0.771  -6.146
  194    HG   LEU  23           HG       LEU  23  -7.596   0.357  -9.121
  195   1HD1  LEU  23          HD12      LEU  23  -5.526  -0.819  -7.246
  196   2HD1  LEU  23          HD11      LEU  23  -5.944  -1.538  -8.803
  197   3HD1  LEU  23          HD13      LEU  23  -5.237   0.075  -8.740
  198   1HD2  LEU  23          HD23      LEU  23  -8.059  -1.341  -6.648
  199   2HD2  LEU  23          HD22      LEU  23  -9.291  -0.695  -7.732
  200   3HD2  LEU  23          HD21      LEU  23  -8.192  -1.951  -8.295
  201    H    SER  24           HN       SER  24  -9.258   2.326  -4.888
  202    HA   SER  24           HA       SER  24  -7.672   4.746  -4.322
  203   1HB   SER  24           HB2      SER  24  -9.617   6.038  -3.561
  204   2HB   SER  24           HB1      SER  24  -9.797   5.633  -5.266
  205    HG   SER  24           HG       SER  24 -11.004   3.748  -4.453
  206    H    LEU  25           HN       LEU  25  -6.828   4.399  -2.273
  207    HA   LEU  25           HA       LEU  25  -7.301   2.184  -0.674
  208   1HB   LEU  25           HB2      LEU  25  -6.799   4.966   0.424
  209   2HB   LEU  25           HB1      LEU  25  -6.461   3.441   1.245
  210    HG   LEU  25           HG       LEU  25  -5.212   4.012  -1.442
  211   1HD1  LEU  25          HD11      LEU  25  -4.227   4.949   1.272
  212   2HD1  LEU  25          HD13      LEU  25  -3.225   4.902  -0.180
  213   3HD1  LEU  25          HD12      LEU  25  -4.632   5.965  -0.113
  214   1HD2  LEU  25          HD23      LEU  25  -5.062   1.731  -0.416
  215   2HD2  LEU  25          HD22      LEU  25  -3.486   2.494  -0.594
  216   3HD2  LEU  25          HD21      LEU  25  -4.267   2.446   0.987
  217    H    SER  26           HN       SER  26  -9.395   4.911  -1.094
  218    HA   SER  26           HA       SER  26 -10.996   4.378   1.290
  219   1HB   SER  26           HB2      SER  26 -12.328   6.189   0.604
  220   2HB   SER  26           HB1      SER  26 -10.742   6.618  -0.032
  221    HG   SER  26           HG       SER  26 -12.550   6.769  -1.541
  222    H    ALA  27           HN       ALA  27 -11.321   3.781  -2.213
  223    HA   ALA  27           HA       ALA  27 -13.871   2.465  -2.017
  224   1HB   ALA  27           HB1      ALA  27 -12.971   3.328  -4.158
  225   2HB   ALA  27           HB3      ALA  27 -11.693   2.114  -4.102
  226   3HB   ALA  27           HB2      ALA  27 -13.376   1.615  -4.275
  227    H    LEU  28           HN       LEU  28 -10.516   1.238  -2.031
  228    HA   LEU  28           HA       LEU  28 -11.176  -1.533  -1.928
  229   1HB   LEU  28           HB2      LEU  28  -8.790   0.093  -1.047
  230   2HB   LEU  28           HB1      LEU  28  -8.874  -1.625  -0.660
  231    HG   LEU  28           HG       LEU  28  -9.173  -2.159  -3.038
  232   1HD1  LEU  28          HD12      LEU  28  -9.037   0.842  -3.325
  233   2HD1  LEU  28          HD11      LEU  28  -8.723  -0.244  -4.675
  234   3HD1  LEU  28          HD13      LEU  28 -10.303  -0.244  -3.892
  235   1HD2  LEU  28          HD22      LEU  28  -6.877  -1.859  -1.955
  236   2HD2  LEU  28          HD21      LEU  28  -6.913  -1.750  -3.715
  237   3HD2  LEU  28          HD23      LEU  28  -6.819  -0.282  -2.741
  238    H    SER  29           HN       SER  29 -11.171   0.980   0.488
  239    HA   SER  29           HA       SER  29 -11.212  -0.700   2.816
  240   1HB   SER  29           HB2      SER  29 -11.728   1.245   4.001
  241   2HB   SER  29           HB1      SER  29 -10.934   1.901   2.577
  242    HG   SER  29           HG       SER  29 -13.731   1.595   2.991
  243    H    ARG  30           HN       ARG  30 -13.807   0.661   0.775
  244    HA   ARG  30           HA       ARG  30 -15.942  -0.475   2.359
  245   1HB   ARG  30           HB2      ARG  30 -16.216   0.161  -0.577
  246   2HB   ARG  30           HB1      ARG  30 -17.400   0.359   0.719
  247   1HG   ARG  30           HG2      ARG  30 -15.804   2.094   1.713
  248   2HG   ARG  30           HG1      ARG  30 -14.941   2.026   0.177
  249   1HD   ARG  30           HD2      ARG  30 -17.883   2.668   0.486
  250   2HD   ARG  30           HD1      ARG  30 -16.610   3.854   0.195
  251    HE   ARG  30           HE       ARG  30 -16.299   2.066  -1.886
  252   1HH1  ARG  30          HH21      ARG  30 -18.907   3.846  -0.516
  253   2HH1  ARG  30          HH22      ARG  30 -19.746   4.038  -2.019
  254   1HH2  ARG  30          HH11      ARG  30 -17.374   2.304  -3.863
  255   2HH2  ARG  30          HH12      ARG  30 -18.877   3.161  -3.916
  256    H    GLN  31           HN       GLN  31 -13.883  -1.692  -0.177
  257    HA   GLN  31           HA       GLN  31 -15.545  -3.835  -1.080
  258   1HB   GLN  31           HB2      GLN  31 -12.547  -3.438  -1.036
  259   2HB   GLN  31           HB1      GLN  31 -13.301  -4.863  -1.745
  260   1HG   GLN  31           HG2      GLN  31 -14.684  -3.319  -3.188
  261   2HG   GLN  31           HG1      GLN  31 -13.706  -1.979  -2.583
  262   1HE2  GLN  31          HE22      GLN  31 -12.065  -4.650  -5.229
  263   2HE2  GLN  31          HE21      GLN  31 -13.529  -5.019  -4.453
  264    H    PHE  32           HN       PHE  32 -13.073  -3.682   1.495
  265    HA   PHE  32           HA       PHE  32 -13.870  -6.428   2.376
  266   1HB   PHE  32           HB2      PHE  32 -11.464  -4.679   2.953
  267   2HB   PHE  32           HB1      PHE  32 -11.800  -6.158   3.862
  268    HD1  PHE  32           HD1      PHE  32 -11.052  -4.785   0.490
  269    HD2  PHE  32           HD2      PHE  32 -11.530  -8.345   2.871
  270    HE1  PHE  32           HE1      PHE  32 -10.133  -6.155  -1.374
  271    HE2  PHE  32           HE2      PHE  32 -10.605  -9.714   1.011
  272    HZ   PHE  32           HZ       PHE  32  -9.911  -8.619  -1.112
  273    H    GLY  33           HN       GLY  33 -14.165  -3.092   3.211
  274   1HA   GLY  33           HA2      GLY  33 -15.521  -2.110   4.856
  275   2HA   GLY  33           HA1      GLY  33 -16.019  -3.729   5.338
  276    H    TYR  34           HN       TYR  34 -12.663  -2.512   5.311
  277    HA   TYR  34           HA       TYR  34 -12.541  -3.104   8.239
  278   1HB   TYR  34           HB2      TYR  34 -10.448  -2.773   6.084
  279   2HB   TYR  34           HB1      TYR  34 -10.017  -2.696   7.792
  280    HD1  TYR  34           HD2      TYR  34 -11.208  -4.673   9.265
  281    HD2  TYR  34           HD1      TYR  34 -10.235  -4.874   5.067
  282    HE1  TYR  34           HE2      TYR  34 -11.224  -7.155   9.376
  283    HE2  TYR  34           HE1      TYR  34 -10.252  -7.354   5.184
  284    HH   TYR  34           HH       TYR  34  -9.891  -9.110   7.062
  285    H    ALA  35           HN       ALA  35 -13.560  -0.616   6.650
  286    HA   ALA  35           HA       ALA  35 -13.855   1.593   7.323
  287   1HB   ALA  35           HB2      ALA  35 -12.977   0.602   9.632
  288   2HB   ALA  35           HB1      ALA  35 -11.534   1.531   9.225
  289   3HB   ALA  35           HB3      ALA  35 -13.092   2.344   9.385
  290    HA   PRO  36           HA       PRO  36 -10.835   3.324   4.574
  291   1HB   PRO  36           HB2      PRO  36 -10.998   6.036   5.439
  292   2HB   PRO  36           HB1      PRO  36 -11.943   5.287   4.143
  293   1HG   PRO  36           HG2      PRO  36 -12.815   6.031   6.861
  294   2HG   PRO  36           HG1      PRO  36 -13.803   5.637   5.447
  295   1HD   PRO  36           HD2      PRO  36 -13.386   3.966   7.706
  296   2HD   PRO  36           HD1      PRO  36 -14.098   3.479   6.149
  297    H    THR  37           HN       THR  37 -10.675   3.860   8.022
  298    HA   THR  37           HA       THR  37  -8.039   5.037   8.063
  299    HB   THR  37           HB       THR  37  -8.099   4.606  10.465
  300    HG1  THR  37           HG1      THR  37 -10.568   3.366  10.324
  301   1HG2  THR  37          HG21      THR  37  -9.545   6.417   9.403
  302   2HG2  THR  37          HG23      THR  37 -10.905   5.309   9.585
  303   3HG2  THR  37          HG22      THR  37 -10.042   5.887  11.010
  304    H    THR  38           HN       THR  38  -9.238   1.679   8.301
  305    HA   THR  38           HA       THR  38  -6.803   0.475   9.090
  306    HB   THR  38           HB       THR  38  -9.014  -0.552   7.288
  307    HG1  THR  38           HG1      THR  38  -9.515  -0.226   9.472
  308   1HG2  THR  38          HG22      THR  38  -6.368  -1.748   7.950
  309   2HG2  THR  38          HG21      THR  38  -7.756  -2.799   8.217
  310   3HG2  THR  38          HG23      THR  38  -7.468  -2.114   6.619
  311    H    LEU  39           HN       LEU  39  -7.986   0.508   5.707
  312    HA   LEU  39           HA       LEU  39  -5.580  -0.185   4.499
  313   1HB   LEU  39           HB2      LEU  39  -8.103   0.856   3.658
  314   2HB   LEU  39           HB1      LEU  39  -6.889   1.853   2.881
  315    HG   LEU  39           HG       LEU  39  -7.324   0.107   1.355
  316   1HD1  LEU  39          HD11      LEU  39  -4.777   0.422   2.275
  317   2HD1  LEU  39          HD13      LEU  39  -4.991  -1.307   2.577
  318   3HD1  LEU  39          HD12      LEU  39  -5.200  -0.660   0.950
  319   1HD2  LEU  39          HD22      LEU  39  -7.127  -1.785   3.718
  320   2HD2  LEU  39          HD21      LEU  39  -8.584  -1.367   2.818
  321   3HD2  LEU  39          HD23      LEU  39  -7.306  -2.302   2.042
  322    H    ALA  40           HN       ALA  40  -6.701   3.108   5.290
  323    HA   ALA  40           HA       ALA  40  -4.472   4.531   4.301
  324   1HB   ALA  40           HB1      ALA  40  -6.562   5.578   5.185
  325   2HB   ALA  40           HB3      ALA  40  -6.041   5.164   6.819
  326   3HB   ALA  40           HB2      ALA  40  -5.099   6.303   5.854
  327    H    ASN  41           HN       ASN  41  -4.954   3.899   7.783
  328    HA   ASN  41           HA       ASN  41  -2.249   4.347   8.492
  329   1HB   ASN  41           HB2      ASN  41  -4.318   4.178  10.021
  330   2HB   ASN  41           HB1      ASN  41  -4.045   2.432   9.991
  331   1HD2  ASN  41          HD22      ASN  41  -2.126   3.879  12.874
  332   2HD2  ASN  41          HD21      ASN  41  -3.765   3.853  12.435
  333    H    ALA  42           HN       ALA  42  -3.564   1.681   6.797
  334    HA   ALA  42           HA       ALA  42  -1.724  -0.326   7.797
  335   1HB   ALA  42           HB1      ALA  42  -3.823  -0.959   6.643
  336   2HB   ALA  42           HB3      ALA  42  -3.205  -0.247   5.154
  337   3HB   ALA  42           HB2      ALA  42  -2.412  -1.654   5.852
  338    H    LEU  43           HN       LEU  43  -0.889   2.433   6.548
  339    HA   LEU  43           HA       LEU  43   0.900   1.558   4.386
  340   1HB   LEU  43           HB2      LEU  43   0.361   4.190   5.768
  341   2HB   LEU  43           HB1      LEU  43   1.721   4.013   4.659
  342    HG   LEU  43           HG       LEU  43  -1.040   3.149   3.792
  343   1HD1  LEU  43          HD12      LEU  43   0.072   5.971   3.706
  344   2HD1  LEU  43          HD11      LEU  43  -1.372   5.430   2.850
  345   3HD1  LEU  43          HD13      LEU  43  -1.340   5.432   4.613
  346   1HD2  LEU  43          HD21      LEU  43   1.425   4.211   2.363
  347   2HD2  LEU  43          HD23      LEU  43   0.807   2.559   2.312
  348   3HD2  LEU  43          HD22      LEU  43  -0.108   3.866   1.567
  349    H    GLU  44           HN       GLU  44   1.132   2.528   7.789
  350    HA   GLU  44           HA       GLU  44   3.903   1.406   7.844
  351   1HB   GLU  44           HB2      GLU  44   4.466   3.216   9.517
  352   2HB   GLU  44           HB1      GLU  44   4.239   3.780   7.864
  353   1HG   GLU  44           HG2      GLU  44   3.032   5.316   9.217
  354   2HG   GLU  44           HG1      GLU  44   1.806   4.262   8.524
  355    H    ARG  45           HN       ARG  45   0.846   1.022   8.945
  356    HA   ARG  45           HA       ARG  45   1.373   0.630  11.787
  357   1HB   ARG  45           HB2      ARG  45  -0.889   1.174  11.051
  358   2HB   ARG  45           HB1      ARG  45  -0.933  -0.268  10.033
  359   1HG   ARG  45           HG2      ARG  45  -0.901  -1.724  11.924
  360   2HG   ARG  45           HG1      ARG  45  -0.464  -0.412  13.017
  361   1HD   ARG  45           HD2      ARG  45  -3.041  -0.262  11.461
  362   2HD   ARG  45           HD1      ARG  45  -2.955  -1.224  12.936
  363    HE   ARG  45           HE       ARG  45  -1.873   1.210  13.686
  364   1HH1  ARG  45          HH21      ARG  45  -4.757   0.140  12.130
  365   2HH1  ARG  45          HH22      ARG  45  -5.737   1.416  12.772
  366   1HH2  ARG  45          HH11      ARG  45  -3.138   2.886  14.533
  367   2HH2  ARG  45          HH12      ARG  45  -4.820   2.971  14.127
  368    H    HIS  46           HN       HIS  46   1.489  -1.421  12.872
  369    HA   HIS  46           HA       HIS  46   3.019  -3.436  11.476
  370   1HB   HIS  46           HB2      HIS  46   1.618  -3.448  14.168
  371   2HB   HIS  46           HB1      HIS  46   2.631  -4.774  13.589
  372    HD1  HIS  46           HD1      HIS  46   4.841  -4.588  14.720
  373    HD2  HIS  46           HD2      HIS  46   3.386  -0.849  13.584
  374    HE1  HIS  46           HE1      HIS  46   6.637  -2.907  15.324
  375    H    TRP  47           HN       TRP  47   1.442  -3.774   9.676
  376    HA   TRP  47           HA       TRP  47  -0.223  -6.109  10.196
  377   1HB   TRP  47           HB2      TRP  47  -1.725  -4.262  10.918
  378   2HB   TRP  47           HB1      TRP  47  -1.556  -3.524   9.326
  379    HD1  TRP  47           HD1      TRP  47  -2.268  -7.177  10.426
  380    HE1  TRP  47           HE1      TRP  47  -4.302  -8.022   9.096
  381    HE3  TRP  47           HE3      TRP  47  -3.394  -2.953   7.777
  382    HZ2  TRP  47           HZ2      TRP  47  -6.179  -7.039   7.159
  383    HZ3  TRP  47           HZ3      TRP  47  -5.313  -2.929   6.198
  384    HH2  TRP  47           HH2      TRP  47  -6.708  -4.965   5.893
  385    HA   PRO  48           HA       PRO  48   1.809  -5.508   6.033
  386   1HB   PRO  48           HB2      PRO  48   2.452  -8.351   6.143
  387   2HB   PRO  48           HB1      PRO  48   3.559  -6.969   6.105
  388   1HG   PRO  48           HG2      PRO  48   3.012  -8.653   8.352
  389   2HG   PRO  48           HG1      PRO  48   3.969  -7.161   8.353
  390   1HD   PRO  48           HD2      PRO  48   1.293  -7.603   9.443
  391   2HD   PRO  48           HD1      PRO  48   2.325  -6.159   9.608
  392    H    LYS  49           HN       LYS  49  -0.737  -7.511   7.276
  393    HA   LYS  49           HA       LYS  49  -1.396  -8.814   4.773
  394   1HB   LYS  49           HB2      LYS  49  -2.178  -9.506   7.121
  395   2HB   LYS  49           HB1      LYS  49  -3.352  -8.202   6.994
  396   1HG   LYS  49           HG2      LYS  49  -4.611  -9.972   6.162
  397   2HG   LYS  49           HG1      LYS  49  -3.923  -9.345   4.667
  398   1HD   LYS  49           HD2      LYS  49  -2.102 -11.024   4.816
  399   2HD   LYS  49           HD1      LYS  49  -2.822 -11.657   6.295
  400   1HE   LYS  49           HE2      LYS  49  -3.464 -12.972   4.271
  401   2HE   LYS  49           HE1      LYS  49  -4.854 -12.267   5.092
  402   1HZ   LYS  49           HZ2      LYS  49  -3.791 -10.450   3.200
  403   2HZ   LYS  49           HZ1      LYS  49  -4.134 -11.935   2.450
  404   3HZ   LYS  49           HZ3      LYS  49  -5.354 -11.109   3.289
  405    H    GLY  50           HN       GLY  50  -1.807  -5.622   5.971
  406   1HA   GLY  50           HA2      GLY  50  -4.125  -4.922   4.343
  407   2HA   GLY  50           HA1      GLY  50  -3.032  -3.780   5.131
  408    H    GLU  51           HN       GLU  51  -0.626  -4.985   3.942
  409    HA   GLU  51           HA       GLU  51  -0.587  -3.486   1.466
  410   1HB   GLU  51           HB2      GLU  51   1.446  -5.566   2.298
  411   2HB   GLU  51           HB1      GLU  51   1.704  -4.110   1.341
  412   1HG   GLU  51           HG2      GLU  51   1.112  -2.737   3.339
  413   2HG   GLU  51           HG1      GLU  51   0.986  -4.221   4.280
  414    H    GLN  52           HN       GLN  52  -1.106  -6.823   2.396
  415    HA   GLN  52           HA       GLN  52  -0.736  -8.067  -0.148
  416   1HB   GLN  52           HB2      GLN  52  -2.595  -8.764   2.149
  417   2HB   GLN  52           HB1      GLN  52  -2.311  -9.811   0.760
  418   1HG   GLN  52           HG2      GLN  52  -0.023  -8.762   2.430
  419   2HG   GLN  52           HG1      GLN  52  -0.886 -10.231   2.877
  420   1HE2  GLN  52          HE22      GLN  52   1.851 -11.462   0.770
  421   2HE2  GLN  52          HE21      GLN  52   1.625 -10.862   2.341
  422    H    ILE  53           HN       ILE  53  -3.601  -6.573   1.372
  423    HA   ILE  53           HA       ILE  53  -5.485  -7.120  -0.674
  424    HB   ILE  53           HB       ILE  53  -5.238  -4.630   1.046
  425   1HG1  ILE  53          HG12      ILE  53  -7.021  -7.042   1.486
  426   2HG1  ILE  53          HG11      ILE  53  -5.394  -6.960   2.162
  427   1HG2  ILE  53          HG22      ILE  53  -7.578  -5.777  -0.515
  428   2HG2  ILE  53          HG21      ILE  53  -7.695  -4.437   0.624
  429   3HG2  ILE  53          HG23      ILE  53  -6.747  -4.257  -0.849
  430   1HD1  ILE  53          HD13      ILE  53  -6.138  -4.675   3.150
  431   2HD1  ILE  53          HD12      ILE  53  -7.776  -5.215   2.796
  432   3HD1  ILE  53          HD11      ILE  53  -6.764  -6.140   3.896
  433    H    ILE  54           HN       ILE  54  -3.295  -4.318  -0.302
  434    HA   ILE  54           HA       ILE  54  -4.033  -3.017  -2.736
  435    HB   ILE  54           HB       ILE  54  -1.492  -2.989  -1.087
  436   1HG1  ILE  54          HG12      ILE  54  -3.679  -0.919  -1.466
  437   2HG1  ILE  54          HG11      ILE  54  -3.646  -2.077  -0.136
  438   1HG2  ILE  54          HG21      ILE  54  -2.221  -1.504  -3.611
  439   2HG2  ILE  54          HG23      ILE  54  -1.113  -0.794  -2.437
  440   3HG2  ILE  54          HG22      ILE  54  -0.713  -2.323  -3.213
  441   1HD1  ILE  54          HD11      ILE  54  -1.156  -1.070   0.157
  442   2HD1  ILE  54          HD13      ILE  54  -1.921   0.330  -0.594
  443   3HD1  ILE  54          HD12      ILE  54  -2.558  -0.320   0.912
  444    H    ALA  55           HN       ALA  55  -1.276  -5.193  -2.024
  445    HA   ALA  55           HA       ALA  55  -0.217  -5.273  -4.649
  446   1HB   ALA  55           HB3      ALA  55   0.741  -6.256  -2.455
  447   2HB   ALA  55           HB2      ALA  55  -0.251  -7.670  -2.807
  448   3HB   ALA  55           HB1      ALA  55   1.011  -7.173  -3.936
  449    H    ASN  56           HN       ASN  56  -2.875  -7.046  -3.163
  450    HA   ASN  56           HA       ASN  56  -3.275  -9.005  -5.181
  451   1HB   ASN  56           HB2      ASN  56  -4.443  -8.920  -2.944
  452   2HB   ASN  56           HB1      ASN  56  -5.453  -7.623  -3.589
  453   1HD2  ASN  56          HD22      ASN  56  -6.539 -11.366  -4.352
  454   2HD2  ASN  56          HD21      ASN  56  -5.506 -10.900  -3.089
  455    H    ALA  57           HN       ALA  57  -4.232  -5.619  -4.989
  456    HA   ALA  57           HA       ALA  57  -6.042  -5.611  -7.189
  457   1HB   ALA  57           HB2      ALA  57  -5.677  -3.748  -5.496
  458   2HB   ALA  57           HB1      ALA  57  -4.227  -3.320  -6.404
  459   3HB   ALA  57           HB3      ALA  57  -5.811  -3.222  -7.173
  460    H    LEU  58           HN       LEU  58  -2.525  -5.067  -7.066
  461    HA   LEU  58           HA       LEU  58  -2.414  -4.840 -10.013
  462   1HB   LEU  58           HB2      LEU  58  -0.237  -4.837  -7.898
  463   2HB   LEU  58           HB1      LEU  58   0.008  -4.503  -9.606
  464    HG   LEU  58           HG       LEU  58  -1.876  -2.917  -7.844
  465   1HD1  LEU  58          HD13      LEU  58   1.018  -2.424  -8.602
  466   2HD1  LEU  58          HD12      LEU  58  -0.032  -1.178  -7.930
  467   3HD1  LEU  58          HD11      LEU  58   0.356  -2.609  -6.978
  468   1HD2  LEU  58          HD22      LEU  58  -0.870  -2.663 -10.687
  469   2HD2  LEU  58          HD21      LEU  58  -2.522  -2.539 -10.081
  470   3HD2  LEU  58          HD23      LEU  58  -1.379  -1.229  -9.801
  471    H    GLU  59           HN       GLU  59  -2.824  -7.367  -8.016
  472    HA   GLU  59           HA       GLU  59  -2.292  -9.650  -8.133
  473   1HB   GLU  59           HB2      GLU  59  -3.112  -9.051 -10.542
  474   2HB   GLU  59           HB1      GLU  59  -1.409  -9.148 -10.982
  475   1HG   GLU  59           HG2      GLU  59  -1.285 -11.451 -10.234
  476   2HG   GLU  59           HG1      GLU  59  -2.917 -11.371  -9.566
  477    H    THR  60           HN       THR  60  -0.207  -7.561  -7.518
  478    HA   THR  60           HA       THR  60   2.254  -9.092  -8.301
  479    HB   THR  60           HB       THR  60   2.007  -6.600  -8.917
  480    HG1  THR  60           HG1      THR  60   4.220  -6.255  -8.258
  481   1HG2  THR  60          HG21      THR  60   1.171  -6.113  -6.479
  482   2HG2  THR  60          HG23      THR  60   2.892  -6.096  -6.089
  483   3HG2  THR  60          HG22      THR  60   2.245  -4.956  -7.268
  484    H    LYS  61           HN       LYS  61   4.025  -8.452  -6.414
  485    HA   LYS  61           HA       LYS  61   2.829  -9.590  -3.939
  486   1HB   LYS  61           HB2      LYS  61   5.781  -9.302  -4.474
  487   2HB   LYS  61           HB1      LYS  61   4.965 -10.482  -3.454
  488   1HG   LYS  61           HG2      LYS  61   3.986 -11.536  -5.469
  489   2HG   LYS  61           HG1      LYS  61   4.832 -10.361  -6.480
  490   1HD   LYS  61           HD2      LYS  61   6.961 -11.246  -5.115
  491   2HD   LYS  61           HD1      LYS  61   5.946 -12.675  -4.926
  492   1HE   LYS  61           HE2      LYS  61   6.646 -11.365  -7.573
  493   2HE   LYS  61           HE1      LYS  61   7.390 -12.831  -6.936
  494   1HZ   LYS  61           HZ2      LYS  61   4.469 -12.712  -7.137
  495   2HZ   LYS  61           HZ1      LYS  61   5.368 -12.957  -8.558
  496   3HZ   LYS  61           HZ3      LYS  61   5.510 -14.050  -7.269
  497    HA   PRO  62           HA       PRO  62   3.280  -5.698  -1.849
  498   1HB   PRO  62           HB2      PRO  62   4.267  -6.715   0.655
  499   2HB   PRO  62           HB1      PRO  62   2.593  -6.319   0.243
  500   1HG   PRO  62           HG2      PRO  62   3.829  -8.971   0.501
  501   2HG   PRO  62           HG1      PRO  62   2.112  -8.560   0.364
  502   1HD   PRO  62           HD2      PRO  62   3.717  -9.747  -1.661
  503   2HD   PRO  62           HD1      PRO  62   2.086  -9.074  -1.865
  504    H    GLU  63           HN       GLU  63   5.972  -8.002  -1.718
  505    HA   GLU  63           HA       GLU  63   7.992  -6.194  -0.824
  506   1HB   GLU  63           HB2      GLU  63   9.566  -7.783  -2.042
  507   2HB   GLU  63           HB1      GLU  63   8.511  -8.528  -0.842
  508   1HG   GLU  63           HG2      GLU  63   7.027  -9.353  -2.520
  509   2HG   GLU  63           HG1      GLU  63   7.788  -8.366  -3.772
  510    H    VAL  64           HN       VAL  64   6.157  -5.997  -3.627
  511    HA   VAL  64           HA       VAL  64   8.327  -4.912  -5.330
  512    HB   VAL  64           HB       VAL  64   5.341  -5.096  -5.846
  513   1HG1  VAL  64          HG12      VAL  64   7.733  -4.468  -7.594
  514   2HG1  VAL  64          HG11      VAL  64   6.152  -4.908  -8.242
  515   3HG1  VAL  64          HG13      VAL  64   6.334  -3.442  -7.280
  516   1HG2  VAL  64          HG23      VAL  64   7.644  -6.907  -6.643
  517   2HG2  VAL  64          HG22      VAL  64   6.335  -7.311  -5.536
  518   3HG2  VAL  64          HG21      VAL  64   5.994  -7.056  -7.243
  519    H    ILE  65           HN       ILE  65   5.601  -3.777  -3.397
  520    HA   ILE  65           HA       ILE  65   5.982  -0.988  -4.316
  521    HB   ILE  65           HB       ILE  65   4.117  -2.214  -2.274
  522   1HG1  ILE  65          HG12      ILE  65   3.226  -0.981  -4.865
  523   2HG1  ILE  65          HG11      ILE  65   3.932  -2.598  -4.912
  524   1HG2  ILE  65          HG22      ILE  65   4.272   0.604  -3.360
  525   2HG2  ILE  65          HG21      ILE  65   2.945  -0.016  -2.378
  526   3HG2  ILE  65          HG23      ILE  65   4.564   0.111  -1.691
  527   1HD1  ILE  65          HD13      ILE  65   1.632  -1.815  -3.092
  528   2HD1  ILE  65          HD12      ILE  65   1.437  -2.621  -4.647
  529   3HD1  ILE  65          HD11      ILE  65   2.285  -3.433  -3.334
  530    H    TRP  66           HN       TRP  66   6.962  -3.111  -1.751
  531    HA   TRP  66           HA       TRP  66   8.429  -0.847  -0.436
  532   1HB   TRP  66           HB2      TRP  66   6.909  -3.106   0.903
  533   2HB   TRP  66           HB1      TRP  66   8.069  -2.079   1.747
  534    HD1  TRP  66           HD1      TRP  66   7.493   0.534   1.946
  535    HE1  TRP  66           HE1      TRP  66   5.242   1.794   1.874
  536    HE3  TRP  66           HE3      TRP  66   4.519  -3.119  -0.033
  537    HZ2  TRP  66           HZ2      TRP  66   2.522   1.314   1.077
  538    HZ3  TRP  66           HZ3      TRP  66   2.101  -2.693  -0.447
  539    HH2  TRP  66           HH2      TRP  66   1.104  -0.488   0.107
  540    HA   PRO  67           HA       PRO  67  11.149  -4.394  -1.765
  541   1HB   PRO  67           HB2      PRO  67  13.063  -2.713  -2.973
  542   2HB   PRO  67           HB1      PRO  67  11.749  -3.556  -3.813
  543   1HG   PRO  67           HG2      PRO  67  12.001  -0.681  -3.205
  544   2HG   PRO  67           HG1      PRO  67  10.902  -1.483  -4.336
  545   1HD   PRO  67           HD2      PRO  67  10.248  -0.424  -1.753
  546   2HD   PRO  67           HD1      PRO  67   9.184  -1.344  -2.833
  547    H    SER  68           HN       SER  68  12.757  -1.273  -0.993
  548    HA   SER  68           HA       SER  68  14.972  -2.401   0.328
  549   1HB   SER  68           HB2      SER  68  15.552  -0.232   0.907
  550   2HB   SER  68           HB1      SER  68  14.395   0.086  -0.385
  551    HG   SER  68           HG       SER  68  12.816   0.009   1.484
  552    H    ARG  69           HN       ARG  69  11.924  -2.931   1.352
  553    HA   ARG  69           HA       ARG  69  12.597  -2.717   4.266
  554   1HB   ARG  69           HB2      ARG  69  10.012  -2.896   2.721
  555   2HB   ARG  69           HB1      ARG  69  10.055  -3.324   4.433
  556   1HG   ARG  69           HG2      ARG  69  11.105  -0.699   3.335
  557   2HG   ARG  69           HG1      ARG  69   9.468  -0.895   3.949
  558   1HD   ARG  69           HD2      ARG  69  10.908  -1.937   6.040
  559   2HD   ARG  69           HD1      ARG  69  12.035  -0.723   5.446
  560    HE   ARG  69           HE       ARG  69   9.736  -0.194   7.008
  561   1HH1  ARG  69          HH21      ARG  69  11.159   0.852   4.048
  562   2HH1  ARG  69          HH22      ARG  69  10.301   2.351   4.018
  563   1HH2  ARG  69          HH11      ARG  69   8.616   1.755   6.980
  564   2HH2  ARG  69          HH12      ARG  69   8.860   2.863   5.671
  565    H    TYR  70           HN       TYR  70  12.632  -4.882   1.719
  566    HA   TYR  70           HA       TYR  70  12.420  -7.250   3.566
  567   1HB   TYR  70           HB2      TYR  70  11.454  -6.866   0.719
  568   2HB   TYR  70           HB1      TYR  70  11.835  -8.474   1.327
  569    HD1  TYR  70           HD2      TYR  70  10.719  -9.229   3.540
  570    HD2  TYR  70           HD1      TYR  70   9.378  -5.893   1.191
  571    HE1  TYR  70           HE2      TYR  70   8.504  -9.327   4.674
  572    HE2  TYR  70           HE1      TYR  70   7.158  -5.975   2.318
  573    HH   TYR  70           HH       TYR  70   6.606  -7.701   5.147
  574    H    GLN  71           HN       GLN  71  14.413  -8.134   3.797
  575    HA   GLN  71           HA       GLN  71  16.138  -8.510   1.446
  576   1HB   GLN  71           HB2      GLN  71  18.088  -7.413   2.601
  577   2HB   GLN  71           HB1      GLN  71  16.837  -6.287   2.081
  578   1HG   GLN  71           HG2      GLN  71  16.849  -7.459   4.865
  579   2HG   GLN  71           HG1      GLN  71  17.754  -5.999   4.474
  580   1HE2  GLN  71          HE22      GLN  71  14.247  -5.113   5.591
  581   2HE2  GLN  71          HE21      GLN  71  15.466  -6.068   6.286
  582    H    ALA  72           HN       ALA  72  14.860 -10.424   2.953
  583    HA   ALA  72           HA       ALA  72  16.817 -11.475   4.925
  584   1HB   ALA  72           HB2      ALA  72  14.278 -11.505   5.276
  585   2HB   ALA  72           HB1      ALA  72  14.224 -12.761   4.037
  586   3HB   ALA  72           HB3      ALA  72  15.116 -13.035   5.535
  587    H    GLY  73           HN       GLY  73  17.367 -11.341   1.968
  588   1HA   GLY  73           HA2      GLY  73  17.153 -13.959   0.830
  589   2HA   GLY  73           HA1      GLY  73  18.304 -12.725   0.317
  590    H    GLU  74           HN       GLU  74  19.580 -14.906   0.142
  591    HA   GLU  74           HA       GLU  74  20.709 -15.759   2.755
  592   1HB   GLU  74           HB2      GLU  74  21.038 -16.805  -0.071
  593   2HB   GLU  74           HB1      GLU  74  21.905 -17.458   1.319
  594   1HG   GLU  74           HG2      GLU  74  18.892 -17.219   1.284
  595   2HG   GLU  74           HG1      GLU  74  19.722 -18.650   0.672
   
  No H/Q in entry =         595
  Start of MODEL          22
 Raw file had  612 H/Q atoms
  Start of MODEL   22
    1   1H    CYS   1           HT3      CYS   1  17.509  18.203  -4.585
    2   2H    CYS   1           HT2      CYS   1  18.569  17.465  -5.689
    3   3H    CYS   1           HT1      CYS   1  17.500  18.678  -6.213
    4    HA   CYS   1           HA       CYS   1  15.663  17.321  -6.135
    5   1HB   CYS   1           HB2      CYS   1  17.506  16.586  -7.787
    6   2HB   CYS   1           HB1      CYS   1  17.811  15.261  -6.664
    7    HG   CYS   1           HG       CYS   1  14.865  15.394  -7.306
    8    H    SER   2           HN       SER   2  14.541  16.700  -4.344
    9    HA   SER   2           HA       SER   2  15.846  15.148  -2.212
   10   1HB   SER   2           HB2      SER   2  13.016  16.180  -2.544
   11   2HB   SER   2           HB1      SER   2  13.597  15.327  -1.116
   12    HG   SER   2           HG       SER   2  13.764  17.583  -0.860
   13    H    ASN   3           HN       ASN   3  15.545  12.970  -1.845
   14    HA   ASN   3           HA       ASN   3  14.406  11.363  -3.983
   15   1HB   ASN   3           HB2      ASN   3  16.360  10.618  -2.626
   16   2HB   ASN   3           HB1      ASN   3  15.307  10.513  -1.214
   17   1HD2  ASN   3          HD22      ASN   3  15.001   7.106  -2.281
   18   2HD2  ASN   3          HD21      ASN   3  15.838   8.133  -1.220
   19    H    GLU   4           HN       GLU   4  12.574   9.925  -3.758
   20    HA   GLU   4           HA       GLU   4  10.403  11.108  -2.200
   21   1HB   GLU   4           HB2      GLU   4   8.963   9.663  -3.393
   22   2HB   GLU   4           HB1      GLU   4  10.232  10.045  -4.553
   23   1HG   GLU   4           HG2      GLU   4  11.392   7.892  -3.639
   24   2HG   GLU   4           HG1      GLU   4   9.797   7.495  -2.997
   25    H    LYS   5           HN       LYS   5   9.568  10.332  -0.283
   26    HA   LYS   5           HA       LYS   5   9.642   9.156   1.761
   27   1HB   LYS   5           HB2      LYS   5   9.696   6.974  -0.336
   28   2HB   LYS   5           HB1      LYS   5   9.559   6.621   1.382
   29   1HG   LYS   5           HG2      LYS   5   7.674   8.624   0.154
   30   2HG   LYS   5           HG1      LYS   5   7.376   6.908  -0.099
   31   1HD   LYS   5           HD2      LYS   5   7.925   7.880   2.694
   32   2HD   LYS   5           HD1      LYS   5   6.330   8.148   1.995
   33   1HE   LYS   5           HE2      LYS   5   5.981   5.798   1.662
   34   2HE   LYS   5           HE1      LYS   5   7.665   5.429   2.032
   35   1HZ   LYS   5           HZ1      LYS   5   6.280   6.890   4.099
   36   2HZ   LYS   5           HZ3      LYS   5   5.653   5.340   3.810
   37   3HZ   LYS   5           HZ2      LYS   5   7.290   5.528   4.218
   38    H    ALA   6           HN       ALA   6  11.456   6.595   0.295
   39    HA   ALA   6           HA       ALA   6  14.092   7.558   1.039
   40   1HB   ALA   6           HB3      ALA   6  13.180   6.995   3.279
   41   2HB   ALA   6           HB2      ALA   6  12.839   5.360   2.713
   42   3HB   ALA   6           HB1      ALA   6  14.507   5.922   2.829
   43    H    ARG   7           HN       ARG   7  12.185   4.575   0.698
   44    HA   ARG   7           HA       ARG   7  13.934   3.728  -1.566
   45   1HB   ARG   7           HB2      ARG   7  13.194   2.019   0.834
   46   2HB   ARG   7           HB1      ARG   7  13.946   1.403  -0.630
   47   1HG   ARG   7           HG2      ARG   7  15.173   3.576   1.093
   48   2HG   ARG   7           HG1      ARG   7  15.541   1.865   1.284
   49   1HD   ARG   7           HD2      ARG   7  16.055   2.000  -1.318
   50   2HD   ARG   7           HD1      ARG   7  16.272   3.715  -0.965
   51    HE   ARG   7           HE       ARG   7  17.767   2.452   0.989
   52   1HH1  ARG   7          HH21      ARG   7  17.533   2.335  -2.448
   53   2HH1  ARG   7          HH22      ARG   7  19.198   1.920  -2.681
   54   1HH2  ARG   7          HH11      ARG   7  19.941   1.910   0.708
   55   2HH2  ARG   7          HH12      ARG   7  20.563   1.679  -0.892
   56    H    ASP   8           HN       ASP   8  10.980   3.454   0.301
   57    HA   ASP   8           HA       ASP   8   9.620   1.651  -1.499
   58   1HB   ASP   8           HB2      ASP   8   8.389   3.565   0.496
   59   2HB   ASP   8           HB1      ASP   8   7.672   2.083  -0.149
   60    H    TRP   9           HN       TRP   9   7.364   2.407  -2.272
   61    HA   TRP   9           HA       TRP   9   7.685   4.300  -4.424
   62   1HB   TRP   9           HB2      TRP   9   5.310   2.871  -3.171
   63   2HB   TRP   9           HB1      TRP   9   5.128   3.973  -4.527
   64    HD1  TRP   9           HD1      TRP   9   7.905   1.330  -3.972
   65    HE1  TRP   9           HE1      TRP   9   7.932  -0.248  -6.003
   66    HE3  TRP   9           HE3      TRP   9   3.823   3.099  -6.503
   67    HZ2  TRP   9           HZ2      TRP   9   6.392  -0.748  -8.371
   68    HZ3  TRP   9           HZ3      TRP   9   3.109   2.031  -8.632
   69    HH2  TRP   9           HH2      TRP   9   4.388   0.115  -9.567
   70    H    HIS  10           HN       HIS  10   7.186   6.527  -4.403
   71    HA   HIS  10           HA       HIS  10   7.010   8.063  -2.084
   72   1HB   HIS  10           HB2      HIS  10   7.141   8.826  -4.581
   73   2HB   HIS  10           HB1      HIS  10   5.381   8.826  -4.515
   74    HD1  HIS  10           HD1      HIS  10   4.844   9.970  -1.754
   75    HD2  HIS  10           HD2      HIS  10   7.780  11.506  -4.281
   76    HE1  HIS  10           HE1      HIS  10   5.254  12.353  -1.008
   77    H    ARG  11           HN       ARG  11   5.260   8.805  -0.769
   78    HA   ARG  11           HA       ARG  11   3.185   7.015  -0.228
   79   1HB   ARG  11           HB2      ARG  11   2.182   8.709   1.115
   80   2HB   ARG  11           HB1      ARG  11   3.912   9.019   1.163
   81   1HG   ARG  11           HG2      ARG  11   3.271  11.162   0.661
   82   2HG   ARG  11           HG1      ARG  11   3.247  10.561  -0.989
   83   1HD   ARG  11           HD2      ARG  11   0.752   9.864  -0.321
   84   2HD   ARG  11           HD1      ARG  11   0.949  11.161   0.852
   85    HE   ARG  11           HE       ARG  11   0.353  11.530  -1.879
   86   1HH1  ARG  11          HH21      ARG  11   2.644  12.672   0.442
   87   2HH1  ARG  11          HH22      ARG  11   3.096  14.047  -0.499
   88   1HH2  ARG  11          HH11      ARG  11   0.916  13.333  -3.090
   89   2HH2  ARG  11          HH12      ARG  11   2.114  14.431  -2.486
   90    H    ALA  12           HN       ALA  12   3.205   9.625  -2.634
   91    HA   ALA  12           HA       ALA  12   0.389   9.049  -3.330
   92   1HB   ALA  12           HB3      ALA  12   2.421  11.042  -4.297
   93   2HB   ALA  12           HB2      ALA  12   0.953  10.733  -5.226
   94   3HB   ALA  12           HB1      ALA  12   0.840  11.326  -3.572
   95    H    ASP  13           HN       ASP  13   3.533   7.937  -4.255
   96    HA   ASP  13           HA       ASP  13   2.867   7.165  -6.967
   97   1HB   ASP  13           HB2      ASP  13   4.953   6.260  -4.992
   98   2HB   ASP  13           HB1      ASP  13   4.753   5.423  -6.529
   99    H    VAL  14           HN       VAL  14   2.194   6.000  -3.812
  100    HA   VAL  14           HA       VAL  14   1.341   3.332  -4.666
  101    HB   VAL  14           HB       VAL  14   0.888   4.850  -2.068
  102   1HG1  VAL  14          HG11      VAL  14   0.427   1.964  -2.874
  103   2HG1  VAL  14          HG13      VAL  14   0.497   2.494  -1.193
  104   3HG1  VAL  14          HG12      VAL  14  -0.765   3.109  -2.261
  105   1HG2  VAL  14          HG23      VAL  14   2.971   2.826  -2.927
  106   2HG2  VAL  14          HG22      VAL  14   3.243   4.490  -2.414
  107   3HG2  VAL  14          HG21      VAL  14   2.695   3.289  -1.246
  108    H    ILE  15           HN       ILE  15  -0.305   6.219  -3.346
  109    HA   ILE  15           HA       ILE  15  -2.964   5.339  -3.970
  110    HB   ILE  15           HB       ILE  15  -1.797   8.126  -3.611
  111   1HG1  ILE  15          HG12      ILE  15  -2.632   8.077  -1.412
  112   2HG1  ILE  15          HG11      ILE  15  -3.751   6.773  -1.757
  113   1HG2  ILE  15          HG22      ILE  15  -4.631   7.214  -4.132
  114   2HG2  ILE  15          HG21      ILE  15  -4.298   8.729  -3.290
  115   3HG2  ILE  15          HG23      ILE  15  -3.724   8.495  -4.941
  116   1HD1  ILE  15          HD11      ILE  15  -0.751   6.457  -1.702
  117   2HD1  ILE  15          HD13      ILE  15  -1.801   6.087  -0.348
  118   3HD1  ILE  15          HD12      ILE  15  -1.939   5.166  -1.840
  119    H    ALA  16           HN       ALA  16  -0.957   7.798  -5.599
  120    HA   ALA  16           HA       ALA  16  -2.574   8.205  -7.857
  121   1HB   ALA  16           HB2      ALA  16  -0.462   9.472  -7.103
  122   2HB   ALA  16           HB1      ALA  16   0.438   8.247  -7.995
  123   3HB   ALA  16           HB3      ALA  16  -0.714   9.283  -8.838
  124    H    GLY  17           HN       GLY  17   0.317   6.117  -7.710
  125   1HA   GLY  17           HA2      GLY  17   0.225   4.980 -10.225
  126   2HA   GLY  17           HA1      GLY  17   0.724   4.078  -8.794
  127    H    LEU  18           HN       LEU  18  -1.515   3.700  -7.373
  128    HA   LEU  18           HA       LEU  18  -2.921   1.678  -8.844
  129   1HB   LEU  18           HB2      LEU  18  -3.321   3.004  -6.164
  130   2HB   LEU  18           HB1      LEU  18  -4.453   1.786  -6.752
  131    HG   LEU  18           HG       LEU  18  -1.482   1.225  -6.745
  132   1HD1  LEU  18          HD12      LEU  18  -2.071   1.947  -4.457
  133   2HD1  LEU  18          HD11      LEU  18  -3.388   0.778  -4.430
  134   3HD1  LEU  18          HD13      LEU  18  -1.716   0.223  -4.515
  135   1HD2  LEU  18          HD22      LEU  18  -3.993  -0.469  -6.581
  136   2HD2  LEU  18          HD21      LEU  18  -2.843  -0.412  -7.914
  137   3HD2  LEU  18          HD23      LEU  18  -2.373  -1.117  -6.370
  138    H    LYS  19           HN       LYS  19  -3.796   5.006  -7.930
  139    HA   LYS  19           HA       LYS  19  -6.511   4.883  -8.847
  140   1HB   LYS  19           HB2      LYS  19  -4.561   7.013  -8.112
  141   2HB   LYS  19           HB1      LYS  19  -5.881   7.533  -9.154
  142   1HG   LYS  19           HG2      LYS  19  -7.475   6.475  -7.507
  143   2HG   LYS  19           HG1      LYS  19  -6.101   6.231  -6.428
  144   1HD   LYS  19           HD2      LYS  19  -5.634   8.705  -6.606
  145   2HD   LYS  19           HD1      LYS  19  -7.159   8.868  -7.478
  146   1HE   LYS  19           HE2      LYS  19  -6.930   7.634  -4.721
  147   2HE   LYS  19           HE1      LYS  19  -7.339   9.327  -5.006
  148   1HZ   LYS  19           HZ3      LYS  19  -8.843   7.105  -6.253
  149   2HZ   LYS  19           HZ2      LYS  19  -9.259   7.741  -4.733
  150   3HZ   LYS  19           HZ1      LYS  19  -9.302   8.731  -6.113
  151    H    LYS  20           HN       LYS  20  -3.535   5.133 -10.582
  152    HA   LYS  20           HA       LYS  20  -4.378   6.510 -12.889
  153   1HB   LYS  20           HB2      LYS  20  -2.351   4.309 -12.512
  154   2HB   LYS  20           HB1      LYS  20  -2.667   4.988 -14.105
  155   1HG   LYS  20           HG2      LYS  20  -2.180   7.260 -13.187
  156   2HG   LYS  20           HG1      LYS  20  -1.751   6.507 -11.655
  157   1HD   LYS  20           HD2      LYS  20   0.302   6.854 -12.867
  158   2HD   LYS  20           HD1      LYS  20  -0.041   5.126 -12.894
  159   1HE   LYS  20           HE2      LYS  20  -1.079   6.800 -15.165
  160   2HE   LYS  20           HE1      LYS  20   0.640   6.414 -15.124
  161   1HZ   LYS  20           HZ2      LYS  20  -0.569   4.054 -14.523
  162   2HZ   LYS  20           HZ1      LYS  20  -1.587   4.719 -15.710
  163   3HZ   LYS  20           HZ3      LYS  20   0.062   4.493 -16.040
  164    H    ARG  21           HN       ARG  21  -4.927   3.180 -11.954
  165    HA   ARG  21           HA       ARG  21  -6.323   2.666 -14.520
  166   1HB   ARG  21           HB2      ARG  21  -5.738   0.959 -12.076
  167   2HB   ARG  21           HB1      ARG  21  -6.707   0.401 -13.442
  168   1HG   ARG  21           HG2      ARG  21  -4.849   0.684 -14.965
  169   2HG   ARG  21           HG1      ARG  21  -3.881   1.455 -13.708
  170   1HD   ARG  21           HD2      ARG  21  -3.110  -0.796 -13.810
  171   2HD   ARG  21           HD1      ARG  21  -4.139  -0.717 -12.378
  172    HE   ARG  21           HE       ARG  21  -5.879  -1.510 -14.369
  173   1HH1  ARG  21          HH21      ARG  21  -2.799  -2.534 -13.212
  174   2HH1  ARG  21          HH22      ARG  21  -3.058  -4.202 -13.596
  175   1HH2  ARG  21          HH11      ARG  21  -6.238  -3.690 -14.877
  176   2HH2  ARG  21          HH12      ARG  21  -5.005  -4.857 -14.536
  177    H    LYS  22           HN       LYS  22  -7.500   1.367 -11.525
  178    HA   LYS  22           HA       LYS  22  -9.519   3.458 -11.201
  179   1HB   LYS  22           HB2      LYS  22 -11.404   1.710 -11.404
  180   2HB   LYS  22           HB1      LYS  22 -10.682   2.271 -12.915
  181   1HG   LYS  22           HG2      LYS  22  -9.358   0.292 -13.130
  182   2HG   LYS  22           HG1      LYS  22  -9.704  -0.202 -11.474
  183   1HD   LYS  22           HD2      LYS  22 -11.039  -1.500 -13.110
  184   2HD   LYS  22           HD1      LYS  22 -12.066  -0.543 -12.044
  185   1HE   LYS  22           HE2      LYS  22 -12.611  -0.484 -14.562
  186   2HE   LYS  22           HE1      LYS  22 -12.509   1.065 -13.728
  187   1HZ   LYS  22           HZ1      LYS  22 -10.003   0.094 -14.783
  188   2HZ   LYS  22           HZ3      LYS  22 -11.163   0.448 -15.966
  189   3HZ   LYS  22           HZ2      LYS  22 -10.686   1.647 -14.862
  190    H    LEU  23           HN       LEU  23  -7.851   3.051  -9.252
  191    HA   LEU  23           HA       LEU  23  -9.334   1.342  -7.288
  192   1HB   LEU  23           HB2      LEU  23  -6.394   1.287  -7.927
  193   2HB   LEU  23           HB1      LEU  23  -6.962   0.823  -6.327
  194    HG   LEU  23           HG       LEU  23  -7.891  -0.431  -8.930
  195   1HD1  LEU  23          HD12      LEU  23  -5.495  -0.843  -8.315
  196   2HD1  LEU  23          HD11      LEU  23  -6.054  -1.519  -6.781
  197   3HD1  LEU  23          HD13      LEU  23  -6.481  -2.305  -8.304
  198   1HD2  LEU  23          HD22      LEU  23  -8.644  -0.782  -6.038
  199   2HD2  LEU  23          HD21      LEU  23  -9.652  -0.923  -7.478
  200   3HD2  LEU  23          HD23      LEU  23  -8.555  -2.230  -7.038
  201    H    SER  24           HN       SER  24  -9.294   2.050  -5.194
  202    HA   SER  24           HA       SER  24  -7.729   4.428  -4.434
  203   1HB   SER  24           HB2      SER  24  -9.932   5.444  -3.512
  204   2HB   SER  24           HB1      SER  24  -9.626   5.605  -5.240
  205    HG   SER  24           HG       SER  24 -11.342   3.818  -3.878
  206    H    LEU  25           HN       LEU  25  -7.144   4.179  -2.276
  207    HA   LEU  25           HA       LEU  25  -7.499   1.801  -0.875
  208   1HB   LEU  25           HB2      LEU  25  -7.371   4.530   0.436
  209   2HB   LEU  25           HB1      LEU  25  -6.925   2.989   1.170
  210    HG   LEU  25           HG       LEU  25  -5.563   3.861  -1.381
  211   1HD1  LEU  25          HD13      LEU  25  -4.799   4.737   1.422
  212   2HD1  LEU  25          HD12      LEU  25  -3.828   4.983  -0.028
  213   3HD1  LEU  25          HD11      LEU  25  -5.384   5.793   0.137
  214   1HD2  LEU  25          HD21      LEU  25  -5.226   1.570  -0.412
  215   2HD2  LEU  25          HD23      LEU  25  -3.738   2.510  -0.483
  216   3HD2  LEU  25          HD22      LEU  25  -4.591   2.319   1.050
  217    H    SER  26           HN       SER  26  -9.729   4.505  -1.101
  218    HA   SER  26           HA       SER  26 -11.455   3.703   1.053
  219   1HB   SER  26           HB2      SER  26 -11.767   5.916   0.309
  220   2HB   SER  26           HB1      SER  26 -11.803   5.435  -1.384
  221    HG   SER  26           HG       SER  26 -13.840   5.750   0.252
  222    H    ALA  27           HN       ALA  27 -11.232   2.794  -2.336
  223    HA   ALA  27           HA       ALA  27 -13.759   1.406  -2.445
  224   1HB   ALA  27           HB3      ALA  27 -12.353   2.238  -4.416
  225   2HB   ALA  27           HB2      ALA  27 -11.341   0.817  -4.159
  226   3HB   ALA  27           HB1      ALA  27 -13.043   0.624  -4.579
  227    H    LEU  28           HN       LEU  28 -10.430   0.047  -2.435
  228    HA   LEU  28           HA       LEU  28 -11.302  -2.608  -1.892
  229   1HB   LEU  28           HB2      LEU  28  -8.815  -2.747  -0.922
  230   2HB   LEU  28           HB1      LEU  28  -9.118  -2.638  -2.652
  231    HG   LEU  28           HG       LEU  28  -8.924  -0.016  -1.222
  232   1HD1  LEU  28          HD12      LEU  28  -6.599  -1.922  -1.492
  233   2HD1  LEU  28          HD11      LEU  28  -6.373  -0.175  -1.438
  234   3HD1  LEU  28          HD13      LEU  28  -7.107  -1.009  -0.072
  235   1HD2  LEU  28          HD23      LEU  28  -9.194  -0.206  -3.686
  236   2HD2  LEU  28          HD22      LEU  28  -7.668   0.571  -3.265
  237   3HD2  LEU  28          HD21      LEU  28  -7.688  -1.121  -3.767
  238    H    SER  29           HN       SER  29 -10.560   0.091   0.272
  239    HA   SER  29           HA       SER  29 -10.442  -1.458   2.682
  240   1HB   SER  29           HB2      SER  29 -10.955   0.667   3.825
  241   2HB   SER  29           HB1      SER  29  -9.694   0.868   2.613
  242    HG   SER  29           HG       SER  29 -12.213   1.928   2.746
  243    H    ARG  30           HN       ARG  30 -13.141   0.415   1.246
  244    HA   ARG  30           HA       ARG  30 -15.093  -0.563   3.130
  245   1HB   ARG  30           HB2      ARG  30 -15.576   1.534   2.149
  246   2HB   ARG  30           HB1      ARG  30 -15.250   0.943   0.520
  247   1HG   ARG  30           HG2      ARG  30 -17.284  -0.254   0.415
  248   2HG   ARG  30           HG1      ARG  30 -17.500  -0.218   2.162
  249   1HD   ARG  30           HD2      ARG  30 -18.106   2.076   2.151
  250   2HD   ARG  30           HD1      ARG  30 -17.465   2.321   0.526
  251    HE   ARG  30           HE       ARG  30 -19.473   0.433   0.186
  252   1HH1  ARG  30          HH21      ARG  30 -19.178   3.566   1.596
  253   2HH1  ARG  30          HH22      ARG  30 -20.816   4.018   1.258
  254   1HH2  ARG  30          HH11      ARG  30 -21.613   1.003  -0.258
  255   2HH2  ARG  30          HH12      ARG  30 -22.194   2.566   0.210
  256    H    GLN  31           HN       GLN  31 -14.058  -1.665  -0.065
  257    HA   GLN  31           HA       GLN  31 -16.305  -3.368  -0.546
  258   1HB   GLN  31           HB2      GLN  31 -13.479  -3.347  -1.590
  259   2HB   GLN  31           HB1      GLN  31 -14.658  -4.544  -2.118
  260   1HG   GLN  31           HG2      GLN  31 -16.098  -2.884  -3.031
  261   2HG   GLN  31           HG1      GLN  31 -15.244  -1.578  -2.202
  262   1HE2  GLN  31          HE22      GLN  31 -12.579  -3.066  -4.805
  263   2HE2  GLN  31          HE21      GLN  31 -13.003  -3.853  -3.363
  264    H    PHE  32           HN       PHE  32 -13.408  -3.853   1.400
  265    HA   PHE  32           HA       PHE  32 -14.119  -6.743   1.733
  266   1HB   PHE  32           HB2      PHE  32 -11.637  -5.127   2.326
  267   2HB   PHE  32           HB1      PHE  32 -11.904  -6.678   3.122
  268    HD1  PHE  32           HD1      PHE  32 -11.397  -5.012  -0.165
  269    HD2  PHE  32           HD2      PHE  32 -11.831  -8.768   1.903
  270    HE1  PHE  32           HE1      PHE  32 -10.652  -6.220  -2.205
  271    HE2  PHE  32           HE2      PHE  32 -11.081  -9.976  -0.137
  272    HZ   PHE  32           HZ       PHE  32 -10.493  -8.702  -2.192
  273    H    GLY  33           HN       GLY  33 -14.243  -3.674   3.381
  274   1HA   GLY  33           HA2      GLY  33 -16.044  -3.730   5.192
  275   2HA   GLY  33           HA1      GLY  33 -15.125  -5.061   5.888
  276    H    TYR  34           HN       TYR  34 -12.542  -4.203   5.769
  277    HA   TYR  34           HA       TYR  34 -12.231  -2.584   8.003
  278   1HB   TYR  34           HB2      TYR  34 -10.310  -2.460   5.677
  279   2HB   TYR  34           HB1      TYR  34  -9.953  -2.283   7.393
  280    HD1  TYR  34           HD2      TYR  34 -11.135  -4.433   8.798
  281    HD2  TYR  34           HD1      TYR  34  -9.497  -4.472   4.808
  282    HE1  TYR  34           HE2      TYR  34 -10.766  -6.880   8.974
  283    HE2  TYR  34           HE1      TYR  34  -9.129  -6.919   4.993
  284    HH   TYR  34           HH       TYR  34 -10.560  -8.839   7.287
  285    H    ALA  35           HN       ALA  35 -12.707  -0.512   8.428
  286    HA   ALA  35           HA       ALA  35 -13.868   1.279   6.634
  287   1HB   ALA  35           HB2      ALA  35 -12.805   1.380   9.345
  288   2HB   ALA  35           HB1      ALA  35 -12.515   2.908   8.520
  289   3HB   ALA  35           HB3      ALA  35 -14.158   2.280   8.667
  290    HA   PRO  36           HA       PRO  36 -10.720   2.969   4.066
  291   1HB   PRO  36           HB2      PRO  36 -11.143   5.770   4.597
  292   2HB   PRO  36           HB1      PRO  36 -11.770   4.823   3.242
  293   1HG   PRO  36           HG2      PRO  36 -13.217   5.800   5.590
  294   2HG   PRO  36           HG1      PRO  36 -13.871   5.027   4.139
  295   1HD   PRO  36           HD2      PRO  36 -13.666   3.859   6.736
  296   2HD   PRO  36           HD1      PRO  36 -14.106   3.031   5.227
  297    H    THR  37           HN       THR  37 -10.891   4.252   7.358
  298    HA   THR  37           HA       THR  37  -8.296   5.467   7.397
  299    HB   THR  37           HB       THR  37  -8.518   5.107   9.926
  300    HG1  THR  37           HG1      THR  37 -11.180   4.511   9.521
  301   1HG2  THR  37          HG21      THR  37 -10.781   6.440   8.415
  302   2HG2  THR  37          HG23      THR  37 -10.362   6.748  10.100
  303   3HG2  THR  37          HG22      THR  37  -9.230   7.177   8.817
  304    H    THR  38           HN       THR  38  -9.375   2.152   8.017
  305    HA   THR  38           HA       THR  38  -7.022   1.127   9.191
  306    HB   THR  38           HB       THR  38  -9.031  -0.161   7.333
  307    HG1  THR  38           HG1      THR  38  -9.968  -0.755   9.171
  308   1HG2  THR  38          HG22      THR  38  -6.528  -1.256   8.558
  309   2HG2  THR  38          HG21      THR  38  -7.966  -2.274   8.604
  310   3HG2  THR  38          HG23      THR  38  -7.336  -1.712   7.056
  311    H    LEU  39           HN       LEU  39  -7.857   0.863   5.699
  312    HA   LEU  39           HA       LEU  39  -5.375  -0.073   4.826
  313   1HB   LEU  39           HB2      LEU  39  -7.585   1.489   3.569
  314   2HB   LEU  39           HB1      LEU  39  -6.059   1.504   2.714
  315    HG   LEU  39           HG       LEU  39  -7.734  -0.302   2.069
  316   1HD1  LEU  39          HD11      LEU  39  -5.374  -0.352   1.381
  317   2HD1  LEU  39          HD13      LEU  39  -4.935  -1.153   2.888
  318   3HD1  LEU  39          HD12      LEU  39  -5.961  -1.978   1.722
  319   1HD2  LEU  39          HD22      LEU  39  -8.017  -0.833   4.674
  320   2HD2  LEU  39          HD21      LEU  39  -8.159  -2.109   3.468
  321   3HD2  LEU  39          HD23      LEU  39  -6.658  -1.915   4.368
  322    H    ALA  40           HN       ALA  40  -6.361   3.332   5.230
  323    HA   ALA  40           HA       ALA  40  -3.958   4.531   4.359
  324   1HB   ALA  40           HB3      ALA  40  -5.934   5.363   6.495
  325   2HB   ALA  40           HB2      ALA  40  -4.582   6.380   6.000
  326   3HB   ALA  40           HB1      ALA  40  -5.831   5.945   4.833
  327    H    ASN  41           HN       ASN  41  -4.836   4.022   7.789
  328    HA   ASN  41           HA       ASN  41  -2.248   4.447   8.840
  329   1HB   ASN  41           HB2      ASN  41  -4.373   2.588   9.948
  330   2HB   ASN  41           HB1      ASN  41  -3.052   3.333  10.854
  331   1HD2  ASN  41          HD22      ASN  41  -6.450   5.405  10.308
  332   2HD2  ASN  41          HD21      ASN  41  -6.306   3.756   9.935
  333    H    ALA  42           HN       ALA  42  -3.227   1.906   6.830
  334    HA   ALA  42           HA       ALA  42  -1.650  -0.212   8.021
  335   1HB   ALA  42           HB3      ALA  42  -3.551  -0.438   6.279
  336   2HB   ALA  42           HB2      ALA  42  -2.322  -0.033   5.082
  337   3HB   ALA  42           HB1      ALA  42  -2.139  -1.474   6.079
  338    H    LEU  43           HN       LEU  43  -0.702   2.663   6.724
  339    HA   LEU  43           HA       LEU  43   1.648   1.678   5.253
  340   1HB   LEU  43           HB2      LEU  43   0.800   4.465   6.087
  341   2HB   LEU  43           HB1      LEU  43   2.212   4.112   5.090
  342    HG   LEU  43           HG       LEU  43  -0.560   3.162   4.324
  343   1HD1  LEU  43          HD13      LEU  43  -0.605   5.622   4.590
  344   2HD1  LEU  43          HD12      LEU  43   0.787   5.756   3.516
  345   3HD1  LEU  43          HD11      LEU  43  -0.749   5.152   2.897
  346   1HD2  LEU  43          HD22      LEU  43   2.083   3.523   2.879
  347   2HD2  LEU  43          HD21      LEU  43   1.123   2.052   3.040
  348   3HD2  LEU  43          HD23      LEU  43   0.562   3.364   2.008
  349    H    GLU  44           HN       GLU  44   0.902   3.084   8.413
  350    HA   GLU  44           HA       GLU  44   3.765   2.665   9.223
  351   1HB   GLU  44           HB2      GLU  44   1.675   4.531  10.385
  352   2HB   GLU  44           HB1      GLU  44   3.319   4.335  10.992
  353   1HG   GLU  44           HG2      GLU  44   4.149   4.989   8.697
  354   2HG   GLU  44           HG1      GLU  44   2.483   5.396   8.283
  355    H    ARG  45           HN       ARG  45   0.459   1.784   9.813
  356    HA   ARG  45           HA       ARG  45   0.883   0.782  12.510
  357   1HB   ARG  45           HB2      ARG  45  -1.358   1.451  11.465
  358   2HB   ARG  45           HB1      ARG  45  -1.294  -0.081  10.592
  359   1HG   ARG  45           HG2      ARG  45  -2.549  -0.536  12.571
  360   2HG   ARG  45           HG1      ARG  45  -0.958  -1.223  12.838
  361   1HD   ARG  45           HD2      ARG  45  -0.640   0.085  14.665
  362   2HD   ARG  45           HD1      ARG  45  -0.959   1.549  13.747
  363    HE   ARG  45           HE       ARG  45  -2.689   0.382  15.681
  364   1HH1  ARG  45          HH21      ARG  45  -2.854   1.504  12.417
  365   2HH1  ARG  45          HH22      ARG  45  -4.554   1.816  12.483
  366   1HH2  ARG  45          HH11      ARG  45  -4.890   0.786  15.773
  367   2HH2  ARG  45          HH12      ARG  45  -5.707   1.411  14.381
  368    H    HIS  46           HN       HIS  46   1.830  -1.127  13.060
  369    HA   HIS  46           HA       HIS  46   3.031  -2.861  11.146
  370   1HB   HIS  46           HB2      HIS  46   3.650  -2.703  13.590
  371   2HB   HIS  46           HB1      HIS  46   2.188  -3.621  13.962
  372    HD1  HIS  46           HD1      HIS  46   2.134  -6.126  13.286
  373    HD2  HIS  46           HD2      HIS  46   5.718  -4.217  12.333
  374    HE1  HIS  46           HE1      HIS  46   3.778  -7.952  12.672
  375    H    TRP  47           HN       TRP  47   1.546  -3.579   9.595
  376    HA   TRP  47           HA       TRP  47  -0.105  -5.852  10.345
  377   1HB   TRP  47           HB2      TRP  47  -1.600  -3.979  10.992
  378   2HB   TRP  47           HB1      TRP  47  -1.480  -3.330   9.359
  379    HD1  TRP  47           HD1      TRP  47  -2.132  -6.934  10.640
  380    HE1  TRP  47           HE1      TRP  47  -4.220  -7.837   9.441
  381    HE3  TRP  47           HE3      TRP  47  -3.408  -2.816   7.887
  382    HZ2  TRP  47           HZ2      TRP  47  -6.188  -6.938   7.559
  383    HZ3  TRP  47           HZ3      TRP  47  -5.401  -2.863   6.401
  384    HH2  TRP  47           HH2      TRP  47  -6.793  -4.920   6.237
  385    HA   PRO  48           HA       PRO  48   1.806  -5.523   6.090
  386   1HB   PRO  48           HB2      PRO  48   2.436  -8.368   6.434
  387   2HB   PRO  48           HB1      PRO  48   3.540  -7.007   6.170
  388   1HG   PRO  48           HG2      PRO  48   3.188  -8.420   8.609
  389   2HG   PRO  48           HG1      PRO  48   4.056  -6.889   8.406
  390   1HD   PRO  48           HD2      PRO  48   1.446  -7.358   9.653
  391   2HD   PRO  48           HD1      PRO  48   2.433  -5.876   9.677
  392    H    LYS  49           HN       LYS  49  -0.719  -7.428   7.529
  393    HA   LYS  49           HA       LYS  49  -1.423  -8.890   5.131
  394   1HB   LYS  49           HB2      LYS  49  -2.177  -9.402   7.537
  395   2HB   LYS  49           HB1      LYS  49  -3.365  -8.123   7.318
  396   1HG   LYS  49           HG2      LYS  49  -3.263 -10.171   5.131
  397   2HG   LYS  49           HG1      LYS  49  -3.849 -10.737   6.686
  398   1HD   LYS  49           HD2      LYS  49  -5.573  -9.031   6.726
  399   2HD   LYS  49           HD1      LYS  49  -4.923  -8.291   5.264
  400   1HE   LYS  49           HE2      LYS  49  -5.389 -10.388   4.019
  401   2HE   LYS  49           HE1      LYS  49  -6.093 -11.079   5.480
  402   1HZ   LYS  49           HZ2      LYS  49  -7.393  -8.744   5.296
  403   2HZ   LYS  49           HZ1      LYS  49  -7.187  -9.128   3.653
  404   3HZ   LYS  49           HZ3      LYS  49  -7.979 -10.217   4.683
  405    H    GLY  50           HN       GLY  50  -1.940  -5.657   6.267
  406   1HA   GLY  50           HA2      GLY  50  -4.165  -5.029   4.504
  407   2HA   GLY  50           HA1      GLY  50  -3.132  -3.852   5.324
  408    H    GLU  51           HN       GLU  51  -0.697  -5.238   4.199
  409    HA   GLU  51           HA       GLU  51  -0.479  -3.652   1.787
  410   1HB   GLU  51           HB2      GLU  51   1.362  -5.877   2.720
  411   2HB   GLU  51           HB1      GLU  51   1.758  -4.573   1.607
  412   1HG   GLU  51           HG2      GLU  51   0.875  -4.057   4.453
  413   2HG   GLU  51           HG1      GLU  51   2.566  -4.278   4.009
  414    H    GLN  52           HN       GLN  52  -1.032  -7.079   2.530
  415    HA   GLN  52           HA       GLN  52  -0.784  -8.112  -0.108
  416   1HB   GLN  52           HB2      GLN  52  -2.360  -8.936   2.333
  417   2HB   GLN  52           HB1      GLN  52  -2.505  -9.834   0.822
  418   1HG   GLN  52           HG2      GLN  52  -0.807 -10.874   2.202
  419   2HG   GLN  52           HG1      GLN  52  -0.026 -10.134   0.811
  420   1HE2  GLN  52          HE22      GLN  52   1.080  -9.020   4.497
  421   2HE2  GLN  52          HE21      GLN  52   0.104 -10.374   4.190
  422    H    ILE  53           HN       ILE  53  -3.568  -6.673   1.596
  423    HA   ILE  53           HA       ILE  53  -5.550  -7.173  -0.368
  424    HB   ILE  53           HB       ILE  53  -5.214  -4.824   1.522
  425   1HG1  ILE  53          HG12      ILE  53  -7.015  -7.268   1.651
  426   2HG1  ILE  53          HG11      ILE  53  -5.468  -7.139   2.488
  427   1HG2  ILE  53          HG23      ILE  53  -7.547  -5.635  -0.240
  428   2HG2  ILE  53          HG22      ILE  53  -7.705  -4.536   1.129
  429   3HG2  ILE  53          HG21      ILE  53  -6.696  -4.088  -0.244
  430   1HD1  ILE  53          HD12      ILE  53  -6.578  -4.865   3.404
  431   2HD1  ILE  53          HD11      ILE  53  -8.064  -5.753   3.073
  432   3HD1  ILE  53          HD13      ILE  53  -6.873  -6.413   4.188
  433    H    ILE  54           HN       ILE  54  -3.469  -4.279  -0.011
  434    HA   ILE  54           HA       ILE  54  -4.403  -3.001  -2.395
  435    HB   ILE  54           HB       ILE  54  -1.780  -2.729  -0.900
  436   1HG1  ILE  54          HG12      ILE  54  -4.263  -0.986  -0.935
  437   2HG1  ILE  54          HG11      ILE  54  -3.940  -2.200   0.306
  438   1HG2  ILE  54          HG22      ILE  54  -3.024  -1.122  -3.136
  439   2HG2  ILE  54          HG21      ILE  54  -1.766  -0.472  -2.089
  440   3HG2  ILE  54          HG23      ILE  54  -1.427  -1.865  -3.112
  441   1HD1  ILE  54          HD13      ILE  54  -1.599  -0.861   0.451
  442   2HD1  ILE  54          HD12      ILE  54  -2.616   0.450  -0.144
  443   3HD1  ILE  54          HD11      ILE  54  -3.018  -0.358   1.366
  444    H    ALA  55           HN       ALA  55  -1.348  -4.809  -1.848
  445    HA   ALA  55           HA       ALA  55  -0.465  -4.713  -4.540
  446   1HB   ALA  55           HB3      ALA  55   0.737  -5.542  -2.377
  447   2HB   ALA  55           HB2      ALA  55   0.047  -7.111  -2.784
  448   3HB   ALA  55           HB1      ALA  55   1.140  -6.307  -3.913
  449    H    ASN  56           HN       ASN  56  -2.615  -7.006  -2.908
  450    HA   ASN  56           HA       ASN  56  -2.815  -8.960  -4.940
  451   1HB   ASN  56           HB2      ASN  56  -4.781  -7.955  -2.875
  452   2HB   ASN  56           HB1      ASN  56  -5.209  -9.240  -4.002
  453   1HD2  ASN  56          HD22      ASN  56  -2.336 -11.245  -2.601
  454   2HD2  ASN  56          HD21      ASN  56  -2.632 -10.550  -4.120
  455    H    ALA  57           HN       ALA  57  -4.316  -5.788  -4.645
  456    HA   ALA  57           HA       ALA  57  -6.271  -6.081  -6.690
  457   1HB   ALA  57           HB3      ALA  57  -5.825  -4.144  -4.957
  458   2HB   ALA  57           HB2      ALA  57  -4.859  -3.460  -6.264
  459   3HB   ALA  57           HB1      ALA  57  -6.579  -3.779  -6.507
  460    H    LEU  58           HN       LEU  58  -2.827  -5.254  -6.863
  461    HA   LEU  58           HA       LEU  58  -3.001  -4.814  -9.781
  462   1HB   LEU  58           HB2      LEU  58  -0.728  -4.750  -7.782
  463   2HB   LEU  58           HB1      LEU  58  -0.473  -4.561  -9.510
  464    HG   LEU  58           HG       LEU  58  -2.483  -2.816  -8.087
  465   1HD1  LEU  58          HD13      LEU  58   0.525  -2.465  -8.187
  466   2HD1  LEU  58          HD12      LEU  58  -0.585  -1.129  -7.882
  467   3HD1  LEU  58          HD11      LEU  58  -0.510  -2.487  -6.759
  468   1HD2  LEU  58          HD22      LEU  58  -0.724  -2.492 -10.547
  469   2HD2  LEU  58          HD21      LEU  58  -2.472  -2.704 -10.526
  470   3HD2  LEU  58          HD23      LEU  58  -1.758  -1.221  -9.898
  471    H    GLU  59           HN       GLU  59  -3.251  -7.485  -8.061
  472    HA   GLU  59           HA       GLU  59  -2.788  -9.736  -8.445
  473   1HB   GLU  59           HB2      GLU  59  -3.456  -8.754 -10.814
  474   2HB   GLU  59           HB1      GLU  59  -1.766  -9.081 -11.190
  475   1HG   GLU  59           HG2      GLU  59  -2.975 -11.051 -11.766
  476   2HG   GLU  59           HG1      GLU  59  -2.149 -11.427 -10.263
  477    H    THR  60           HN       THR  60  -0.524  -7.608  -7.841
  478    HA   THR  60           HA       THR  60   1.788  -9.415  -8.486
  479    HB   THR  60           HB       THR  60   1.785  -6.972  -9.319
  480    HG1  THR  60           HG1      THR  60   3.648  -8.254  -9.188
  481   1HG2  THR  60          HG21      THR  60   0.959  -6.165  -6.996
  482   2HG2  THR  60          HG23      THR  60   2.641  -6.346  -6.498
  483   3HG2  THR  60          HG22      THR  60   2.222  -5.226  -7.796
  484    H    LYS  61           HN       LYS  61   3.597  -8.579  -6.627
  485    HA   LYS  61           HA       LYS  61   2.340  -9.489  -4.082
  486   1HB   LYS  61           HB2      LYS  61   5.309  -9.425  -4.620
  487   2HB   LYS  61           HB1      LYS  61   4.412 -10.461  -3.512
  488   1HG   LYS  61           HG2      LYS  61   4.938 -11.884  -5.319
  489   2HG   LYS  61           HG1      LYS  61   3.259 -11.442  -5.582
  490   1HD   LYS  61           HD2      LYS  61   3.730 -10.366  -7.551
  491   2HD   LYS  61           HD1      LYS  61   5.146  -9.562  -6.885
  492   1HE   LYS  61           HE2      LYS  61   5.140 -12.492  -7.646
  493   2HE   LYS  61           HE1      LYS  61   5.593 -11.212  -8.771
  494   1HZ   LYS  61           HZ1      LYS  61   6.851 -11.641  -6.117
  495   2HZ   LYS  61           HZ3      LYS  61   7.500 -12.186  -7.584
  496   3HZ   LYS  61           HZ2      LYS  61   7.332 -10.519  -7.299
  497    HA   PRO  62           HA       PRO  62   3.063  -5.453  -2.361
  498   1HB   PRO  62           HB2      PRO  62   3.857  -6.270   0.262
  499   2HB   PRO  62           HB1      PRO  62   2.220  -5.862  -0.269
  500   1HG   PRO  62           HG2      PRO  62   3.357  -8.524   0.281
  501   2HG   PRO  62           HG1      PRO  62   1.659  -8.056   0.105
  502   1HD   PRO  62           HD2      PRO  62   3.188  -9.500  -1.797
  503   2HD   PRO  62           HD1      PRO  62   1.605  -8.741  -2.078
  504    H    GLU  63           HN       GLU  63   5.409  -7.936  -2.479
  505    HA   GLU  63           HA       GLU  63   7.684  -6.549  -1.409
  506   1HB   GLU  63           HB2      GLU  63   7.811  -8.606  -3.619
  507   2HB   GLU  63           HB1      GLU  63   8.971  -8.316  -2.320
  508   1HG   GLU  63           HG2      GLU  63   7.098  -8.967  -0.699
  509   2HG   GLU  63           HG1      GLU  63   6.222  -9.561  -2.111
  510    H    VAL  64           HN       VAL  64   5.871  -6.061  -4.259
  511    HA   VAL  64           HA       VAL  64   8.133  -4.925  -5.799
  512    HB   VAL  64           HB       VAL  64   5.185  -4.906  -6.492
  513   1HG1  VAL  64          HG12      VAL  64   6.649  -3.386  -7.787
  514   2HG1  VAL  64          HG11      VAL  64   7.702  -4.745  -8.182
  515   3HG1  VAL  64          HG13      VAL  64   6.046  -4.706  -8.790
  516   1HG2  VAL  64          HG23      VAL  64   7.319  -7.004  -6.951
  517   2HG2  VAL  64          HG22      VAL  64   5.764  -7.209  -6.145
  518   3HG2  VAL  64          HG21      VAL  64   5.826  -6.936  -7.886
  519    H    ILE  65           HN       ILE  65   5.316  -3.825  -3.957
  520    HA   ILE  65           HA       ILE  65   5.772  -1.024  -4.771
  521    HB   ILE  65           HB       ILE  65   3.834  -2.206  -2.770
  522   1HG1  ILE  65          HG12      ILE  65   3.057  -1.092  -5.462
  523   2HG1  ILE  65          HG11      ILE  65   3.719  -2.725  -5.390
  524   1HG2  ILE  65          HG22      ILE  65   4.211   0.564  -3.916
  525   2HG2  ILE  65          HG21      ILE  65   2.691   0.050  -3.186
  526   3HG2  ILE  65          HG23      ILE  65   4.165   0.088  -2.219
  527   1HD1  ILE  65          HD11      ILE  65   1.995  -3.359  -3.736
  528   2HD1  ILE  65          HD13      ILE  65   1.320  -1.732  -3.813
  529   3HD1  ILE  65          HD12      ILE  65   1.259  -2.779  -5.229
  530    H    TRP  66           HN       TRP  66   6.597  -3.166  -2.130
  531    HA   TRP  66           HA       TRP  66   7.983  -0.874  -0.761
  532   1HB   TRP  66           HB2      TRP  66   6.352  -3.105   0.472
  533   2HB   TRP  66           HB1      TRP  66   7.475  -2.114   1.403
  534    HD1  TRP  66           HD1      TRP  66   6.949   0.562   1.461
  535    HE1  TRP  66           HE1      TRP  66   4.705   1.819   1.336
  536    HE3  TRP  66           HE3      TRP  66   3.983  -3.152  -0.421
  537    HZ2  TRP  66           HZ2      TRP  66   1.992   1.316   0.548
  538    HZ3  TRP  66           HZ3      TRP  66   1.566  -2.740  -0.845
  539    HH2  TRP  66           HH2      TRP  66   0.571  -0.513  -0.363
  540    HA   PRO  67           HA       PRO  67  10.872  -4.473  -1.527
  541   1HB   PRO  67           HB2      PRO  67  12.766  -2.933  -2.925
  542   2HB   PRO  67           HB1      PRO  67  11.535  -3.966  -3.676
  543   1HG   PRO  67           HG2      PRO  67  11.633  -1.015  -3.536
  544   2HG   PRO  67           HG1      PRO  67  10.655  -2.048  -4.591
  545   1HD   PRO  67           HD2      PRO  67   9.751  -0.620  -2.268
  546   2HD   PRO  67           HD1      PRO  67   8.831  -1.786  -3.236
  547    H    SER  68           HN       SER  68  10.923  -1.350  -0.163
  548    HA   SER  68           HA       SER  68  13.356  -0.645   0.739
  549   1HB   SER  68           HB2      SER  68  12.262  -0.256   3.059
  550   2HB   SER  68           HB1      SER  68  11.558   0.549   1.657
  551    HG   SER  68           HG       SER  68   9.868  -0.414   2.641
  552    H    ARG  69           HN       ARG  69  11.891  -2.331   3.412
  553    HA   ARG  69           HA       ARG  69  14.421  -3.882   3.735
  554   1HB   ARG  69           HB2      ARG  69  12.158  -3.356   5.687
  555   2HB   ARG  69           HB1      ARG  69  13.675  -4.179   6.064
  556   1HG   ARG  69           HG2      ARG  69  14.956  -2.199   5.655
  557   2HG   ARG  69           HG1      ARG  69  13.573  -1.373   4.933
  558   1HD   ARG  69           HD2      ARG  69  13.550  -2.346   7.795
  559   2HD   ARG  69           HD1      ARG  69  14.134  -0.741   7.353
  560    HE   ARG  69           HE       ARG  69  11.646  -0.882   6.150
  561   1HH1  ARG  69          HH21      ARG  69  12.925  -1.409   9.307
  562   2HH1  ARG  69          HH22      ARG  69  11.481  -0.911  10.121
  563   1HH2  ARG  69          HH11      ARG  69   9.751  -0.227   7.194
  564   2HH2  ARG  69          HH12      ARG  69   9.682  -0.242   8.924
  565    H    TYR  70           HN       TYR  70  12.641  -4.895   1.762
  566    HA   TYR  70           HA       TYR  70  11.383  -7.280   3.099
  567   1HB   TYR  70           HB2      TYR  70  10.945  -5.931   0.425
  568   2HB   TYR  70           HB1      TYR  70  10.391  -7.579   0.723
  569    HD1  TYR  70           HD2      TYR  70  10.371  -4.225   2.446
  570    HD2  TYR  70           HD1      TYR  70   8.212  -7.823   1.496
  571    HE1  TYR  70           HE2      TYR  70   8.365  -3.327   3.611
  572    HE2  TYR  70           HE1      TYR  70   6.202  -6.932   2.662
  573    HH   TYR  70           HH       TYR  70   6.338  -4.006   4.575
  574    H    GLN  71           HN       GLN  71  12.285  -9.281   2.729
  575    HA   GLN  71           HA       GLN  71  13.978  -9.769   0.390
  576   1HB   GLN  71           HB2      GLN  71  15.505  -8.609   2.002
  577   2HB   GLN  71           HB1      GLN  71  15.220  -9.909   3.156
  578   1HG   GLN  71           HG2      GLN  71  16.039 -11.535   1.411
  579   2HG   GLN  71           HG1      GLN  71  16.477 -10.152   0.409
  580   1HE2  GLN  71          HE22      GLN  71  18.706 -11.011   3.739
  581   2HE2  GLN  71          HE21      GLN  71  17.182 -11.731   3.538
  582    H    ALA  72           HN       ALA  72  14.768 -11.612   3.196
  583    HA   ALA  72           HA       ALA  72  13.394 -13.944   2.055
  584   1HB   ALA  72           HB3      ALA  72  15.736 -13.974   3.083
  585   2HB   ALA  72           HB2      ALA  72  14.942 -13.827   4.651
  586   3HB   ALA  72           HB1      ALA  72  14.634 -15.237   3.636
  587    H    GLY  73           HN       GLY  73  12.429 -11.461   4.014
  588   1HA   GLY  73           HA2      GLY  73  10.914 -13.011   5.981
  589   2HA   GLY  73           HA1      GLY  73  10.811 -11.268   5.734
  590    H    GLU  74           HN       GLU  74   8.576 -11.071   5.544
  591    HA   GLU  74           HA       GLU  74   7.139 -12.813   3.621
  592   1HB   GLU  74           HB2      GLU  74   6.189 -12.226   5.898
  593   2HB   GLU  74           HB1      GLU  74   6.022 -10.567   5.319
  594   1HG   GLU  74           HG2      GLU  74   3.905 -11.625   4.940
  595   2HG   GLU  74           HG1      GLU  74   4.690 -11.512   3.365
   
  No H/Q in entry =         595
  Start of MODEL          23
 Raw file had  612 H/Q atoms
  Start of MODEL   23
    1   1H    CYS   1           HT1      CYS   1  15.398  16.127   3.062
    2   2H    CYS   1           HT3      CYS   1  14.805  16.669   1.569
    3   3H    CYS   1           HT2      CYS   1  15.069  15.011   1.824
    4    HA   CYS   1           HA       CYS   1  16.854  15.813   0.496
    5   1HB   CYS   1           HB2      CYS   1  17.160  17.891   2.687
    6   2HB   CYS   1           HB1      CYS   1  18.278  17.671   1.340
    7    HG   CYS   1           HG       CYS   1  16.754  19.040  -0.039
    8    H    SER   2           HN       SER   2  16.573  13.642   2.129
    9    HA   SER   2           HA       SER   2  19.306  13.249   3.064
   10   1HB   SER   2           HB2      SER   2  17.015  13.364   5.036
   11   2HB   SER   2           HB1      SER   2  18.542  12.562   5.390
   12    HG   SER   2           HG       SER   2  19.274  14.467   5.850
   13    H    ASN   3           HN       ASN   3  15.966  12.005   3.052
   14    HA   ASN   3           HA       ASN   3  16.908   9.486   1.905
   15   1HB   ASN   3           HB2      ASN   3  15.744   8.184   3.831
   16   2HB   ASN   3           HB1      ASN   3  17.359   8.829   4.125
   17   1HD2  ASN   3          HD22      ASN   3  16.212  11.380   6.379
   18   2HD2  ASN   3          HD21      ASN   3  17.448  10.997   5.279
   19    H    GLU   4           HN       GLU   4  14.135   9.088   3.794
   20    HA   GLU   4           HA       GLU   4  11.933   8.652   3.170
   21   1HB   GLU   4           HB2      GLU   4  10.713  10.589   2.312
   22   2HB   GLU   4           HB1      GLU   4  11.841  11.078   3.568
   23   1HG   GLU   4           HG2      GLU   4  13.355  12.019   1.974
   24   2HG   GLU   4           HG1      GLU   4  12.520  11.257   0.620
   25    H    LYS   5           HN       LYS   5  10.329   8.604   1.218
   26    HA   LYS   5           HA       LYS   5   9.926   7.373  -0.773
   27   1HB   LYS   5           HB2      LYS   5  11.786   9.637  -1.514
   28   2HB   LYS   5           HB1      LYS   5  11.190   8.526  -2.744
   29   1HG   LYS   5           HG2      LYS   5   9.690  10.394  -2.705
   30   2HG   LYS   5           HG1      LYS   5   8.846   9.041  -1.972
   31   1HD   LYS   5           HD2      LYS   5  10.362  10.711  -0.032
   32   2HD   LYS   5           HD1      LYS   5   9.053  11.560  -0.839
   33   1HE   LYS   5           HE2      LYS   5   8.675   8.865   0.489
   34   2HE   LYS   5           HE1      LYS   5   8.427  10.394   1.331
   35   1HZ   LYS   5           HZ1      LYS   5   7.108  10.510  -1.137
   36   2HZ   LYS   5           HZ3      LYS   5   6.665   9.060  -0.377
   37   3HZ   LYS   5           HZ2      LYS   5   6.434  10.544   0.422
   38    H    ALA   6           HN       ALA   6  12.998   8.093  -2.111
   39    HA   ALA   6           HA       ALA   6  14.737   6.707  -2.830
   40   1HB   ALA   6           HB3      ALA   6  15.305   7.023  -0.445
   41   2HB   ALA   6           HB2      ALA   6  14.378   5.579  -0.044
   42   3HB   ALA   6           HB1      ALA   6  15.826   5.449  -1.041
   43    H    ARG   7           HN       ARG   7  13.461   4.187  -0.718
   44    HA   ARG   7           HA       ARG   7  13.226   2.413  -3.091
   45   1HB   ARG   7           HB2      ARG   7  13.414   1.957  -0.109
   46   2HB   ARG   7           HB1      ARG   7  12.887   0.668  -1.181
   47   1HG   ARG   7           HG2      ARG   7  15.238   0.386  -0.890
   48   2HG   ARG   7           HG1      ARG   7  15.004   1.021  -2.511
   49   1HD   ARG   7           HD2      ARG   7  16.227   2.888  -2.041
   50   2HD   ARG   7           HD1      ARG   7  15.313   3.213  -0.575
   51    HE   ARG   7           HE       ARG   7  17.958   2.139  -0.723
   52   1HH1  ARG   7          HH21      ARG   7  14.944   1.510   0.837
   53   2HH1  ARG   7          HH22      ARG   7  15.664   0.648   2.157
   54   1HH2  ARG   7          HH11      ARG   7  18.905   1.030   0.985
   55   2HH2  ARG   7          HH12      ARG   7  17.904   0.374   2.238
   56    H    ASP   8           HN       ASP   8  11.304   3.660  -0.395
   57    HA   ASP   8           HA       ASP   8   8.979   2.069  -0.985
   58   1HB   ASP   8           HB2      ASP   8   8.930   4.757   0.403
   59   2HB   ASP   8           HB1      ASP   8   7.870   3.366   0.664
   60    H    TRP   9           HN       TRP   9   7.130   2.585  -2.114
   61    HA   TRP   9           HA       TRP   9   7.356   4.317  -4.411
   62   1HB   TRP   9           HB2      TRP   9   5.068   2.835  -3.074
   63   2HB   TRP   9           HB1      TRP   9   4.800   3.872  -4.468
   64    HD1  TRP   9           HD1      TRP   9   7.738   1.438  -3.837
   65    HE1  TRP   9           HE1      TRP   9   7.844  -0.215  -5.809
   66    HE3  TRP   9           HE3      TRP   9   3.571   2.890  -6.414
   67    HZ2  TRP   9           HZ2      TRP   9   6.330  -0.872  -8.162
   68    HZ3  TRP   9           HZ3      TRP   9   2.908   1.723  -8.505
   69    HH2  TRP   9           HH2      TRP   9   4.282  -0.153  -9.381
   70    H    HIS  10           HN       HIS  10   7.207   6.523  -4.297
   71    HA   HIS  10           HA       HIS  10   6.729   8.122  -2.114
   72   1HB   HIS  10           HB2      HIS  10   7.275   8.762  -4.592
   73   2HB   HIS  10           HB1      HIS  10   5.528   8.918  -4.769
   74    HD1  HIS  10           HD1      HIS  10   8.383  10.882  -3.949
   75    HD2  HIS  10           HD2      HIS  10   4.495  10.704  -2.465
   76    HE1  HIS  10           HE1      HIS  10   7.983  13.062  -2.725
   77    H    ARG  11           HN       ARG  11   4.944   8.955  -1.032
   78    HA   ARG  11           HA       ARG  11   2.662   7.445  -0.620
   79   1HB   ARG  11           HB2      ARG  11   2.850  10.472  -0.600
   80   2HB   ARG  11           HB1      ARG  11   1.530   9.550   0.118
   81   1HG   ARG  11           HG2      ARG  11   3.346   8.300   1.446
   82   2HG   ARG  11           HG1      ARG  11   4.434   9.588   0.948
   83   1HD   ARG  11           HD2      ARG  11   1.945   9.792   2.636
   84   2HD   ARG  11           HD1      ARG  11   3.581  10.264   3.074
   85    HE   ARG  11           HE       ARG  11   1.611  11.924   1.819
   86   1HH1  ARG  11          HH21      ARG  11   4.959  11.116   1.541
   87   2HH1  ARG  11          HH22      ARG  11   5.343  12.520   0.605
   88   1HH2  ARG  11          HH11      ARG  11   2.109  13.753   0.629
   89   2HH2  ARG  11          HH12      ARG  11   3.737  14.014   0.098
   90    H    ALA  12           HN       ALA  12   3.216   9.739  -3.229
   91    HA   ALA  12           HA       ALA  12   0.477   9.470  -4.258
   92   1HB   ALA  12           HB2      ALA  12   1.707  11.603  -4.491
   93   2HB   ALA  12           HB1      ALA  12   2.916  10.786  -5.484
   94   3HB   ALA  12           HB3      ALA  12   1.257  10.936  -6.060
   95    H    ASP  13           HN       ASP  13   3.645   8.030  -4.794
   96    HA   ASP  13           HA       ASP  13   3.051   6.902  -7.377
   97   1HB   ASP  13           HB2      ASP  13   4.973   6.111  -5.192
   98   2HB   ASP  13           HB1      ASP  13   4.848   5.206  -6.701
   99    H    VAL  14           HN       VAL  14   2.128   6.179  -4.145
  100    HA   VAL  14           HA       VAL  14   1.295   3.434  -4.679
  101    HB   VAL  14           HB       VAL  14   0.668   5.366  -2.425
  102   1HG1  VAL  14          HG13      VAL  14  -0.213   2.521  -2.910
  103   2HG1  VAL  14          HG12      VAL  14  -0.113   3.192  -1.282
  104   3HG1  VAL  14          HG11      VAL  14  -1.199   3.915  -2.468
  105   1HG2  VAL  14          HG22      VAL  14   2.460   2.927  -2.639
  106   2HG2  VAL  14          HG21      VAL  14   2.987   4.601  -2.472
  107   3HG2  VAL  14          HG23      VAL  14   2.141   3.806  -1.143
  108    H    ILE  15           HN       ILE  15  -0.566   6.423  -3.928
  109    HA   ILE  15           HA       ILE  15  -3.000   5.216  -4.984
  110    HB   ILE  15           HB       ILE  15  -2.497   8.143  -4.381
  111   1HG1  ILE  15          HG12      ILE  15  -3.755   6.105  -2.520
  112   2HG1  ILE  15          HG11      ILE  15  -2.020   6.408  -2.498
  113   1HG2  ILE  15          HG23      ILE  15  -5.018   6.453  -4.530
  114   2HG2  ILE  15          HG22      ILE  15  -4.966   8.156  -4.077
  115   3HG2  ILE  15          HG21      ILE  15  -4.521   7.666  -5.708
  116   1HD1  ILE  15          HD12      ILE  15  -2.562   8.869  -2.184
  117   2HD1  ILE  15          HD11      ILE  15  -4.233   8.379  -1.906
  118   3HD1  ILE  15          HD13      ILE  15  -2.959   7.822  -0.826
  119    H    ALA  16           HN       ALA  16  -0.804   7.783  -6.212
  120    HA   ALA  16           HA       ALA  16  -2.264   8.355  -8.567
  121   1HB   ALA  16           HB2      ALA  16  -0.115   9.491  -7.664
  122   2HB   ALA  16           HB1      ALA  16   0.749   8.249  -8.570
  123   3HB   ALA  16           HB3      ALA  16  -0.317   9.373  -9.409
  124    H    GLY  17           HN       GLY  17   0.297   5.932  -8.052
  125   1HA   GLY  17           HA2      GLY  17   0.210   4.844 -10.695
  126   2HA   GLY  17           HA1      GLY  17   0.840   4.017  -9.272
  127    H    LEU  18           HN       LEU  18  -1.316   3.670  -7.671
  128    HA   LEU  18           HA       LEU  18  -2.721   1.526  -8.947
  129   1HB   LEU  18           HB2      LEU  18  -3.044   3.014  -6.346
  130   2HB   LEU  18           HB1      LEU  18  -4.236   1.808  -6.819
  131    HG   LEU  18           HG       LEU  18  -1.289   1.137  -6.863
  132   1HD1  LEU  18          HD13      LEU  18  -3.163   0.910  -4.490
  133   2HD1  LEU  18          HD12      LEU  18  -1.527   0.256  -4.574
  134   3HD1  LEU  18          HD11      LEU  18  -1.782   1.995  -4.600
  135   1HD2  LEU  18          HD21      LEU  18  -3.843  -0.463  -6.496
  136   2HD2  LEU  18          HD23      LEU  18  -2.789  -0.485  -7.908
  137   3HD2  LEU  18          HD22      LEU  18  -2.227  -1.144  -6.376
  138    H    LYS  19           HN       LYS  19  -3.915   4.730  -7.896
  139    HA   LYS  19           HA       LYS  19  -6.508   4.475  -9.006
  140   1HB   LYS  19           HB2      LYS  19  -5.524   6.309  -7.436
  141   2HB   LYS  19           HB1      LYS  19  -5.047   7.117  -8.927
  142   1HG   LYS  19           HG2      LYS  19  -7.396   7.041  -9.710
  143   2HG   LYS  19           HG1      LYS  19  -7.865   6.257  -8.202
  144   1HD   LYS  19           HD2      LYS  19  -6.733   8.336  -7.066
  145   2HD   LYS  19           HD1      LYS  19  -6.926   9.087  -8.649
  146   1HE   LYS  19           HE2      LYS  19  -9.405   8.235  -8.459
  147   2HE   LYS  19           HE1      LYS  19  -9.045   8.138  -6.736
  148   1HZ   LYS  19           HZ1      LYS  19  -8.430  10.576  -8.277
  149   2HZ   LYS  19           HZ3      LYS  19  -9.988  10.312  -7.660
  150   3HZ   LYS  19           HZ2      LYS  19  -8.661  10.403  -6.602
  151    H    LYS  20           HN       LYS  20  -3.516   4.728 -10.614
  152    HA   LYS  20           HA       LYS  20  -4.280   6.216 -12.906
  153   1HB   LYS  20           HB2      LYS  20  -2.256   5.562 -13.830
  154   2HB   LYS  20           HB1      LYS  20  -1.932   5.111 -12.161
  155   1HG   LYS  20           HG2      LYS  20  -2.783   2.790 -12.720
  156   2HG   LYS  20           HG1      LYS  20  -2.832   3.290 -14.412
  157   1HD   LYS  20           HD2      LYS  20  -0.401   3.932 -14.207
  158   2HD   LYS  20           HD1      LYS  20  -0.397   3.174 -12.616
  159   1HE   LYS  20           HE2      LYS  20  -1.084   1.805 -15.232
  160   2HE   LYS  20           HE1      LYS  20   0.405   1.590 -14.311
  161   1HZ   LYS  20           HZ1      LYS  20  -2.238   1.103 -13.087
  162   2HZ   LYS  20           HZ3      LYS  20  -1.455  -0.102 -13.985
  163   3HZ   LYS  20           HZ2      LYS  20  -0.716   0.531 -12.594
  164    H    ARG  21           HN       ARG  21  -5.100   3.078 -11.814
  165    HA   ARG  21           HA       ARG  21  -6.382   2.373 -14.410
  166   1HB   ARG  21           HB2      ARG  21  -5.789   0.876 -11.844
  167   2HB   ARG  21           HB1      ARG  21  -6.973   0.257 -12.998
  168   1HG   ARG  21           HG2      ARG  21  -5.357   0.042 -14.714
  169   2HG   ARG  21           HG1      ARG  21  -4.182   1.033 -13.859
  170   1HD   ARG  21           HD2      ARG  21  -4.204  -0.775 -12.038
  171   2HD   ARG  21           HD1      ARG  21  -5.070  -1.792 -13.187
  172    HE   ARG  21           HE       ARG  21  -2.245  -1.313 -13.130
  173   1HH1  ARG  21          HH21      ARG  21  -4.868  -1.493 -15.370
  174   2HH1  ARG  21          HH22      ARG  21  -3.838  -1.632 -16.753
  175   1HH2  ARG  21          HH11      ARG  21  -0.905  -1.514 -14.918
  176   2HH2  ARG  21          HH12      ARG  21  -1.601  -1.651 -16.498
  177    H    LYS  22           HN       LYS  22  -7.686   1.369 -11.364
  178    HA   LYS  22           HA       LYS  22  -9.618   3.559 -11.217
  179   1HB   LYS  22           HB2      LYS  22 -10.498   0.731 -11.919
  180   2HB   LYS  22           HB1      LYS  22 -11.594   1.984 -11.342
  181   1HG   LYS  22           HG2      LYS  22 -10.710   3.422 -13.285
  182   2HG   LYS  22           HG1      LYS  22 -10.024   1.927 -13.923
  183   1HD   LYS  22           HD2      LYS  22 -12.395   0.936 -13.634
  184   2HD   LYS  22           HD1      LYS  22 -12.931   2.608 -13.465
  185   1HE   LYS  22           HE2      LYS  22 -13.168   2.120 -15.781
  186   2HE   LYS  22           HE1      LYS  22 -11.681   3.062 -15.665
  187   1HZ   LYS  22           HZ3      LYS  22 -11.113   0.329 -15.275
  188   2HZ   LYS  22           HZ2      LYS  22 -11.995   0.514 -16.714
  189   3HZ   LYS  22           HZ1      LYS  22 -10.545   1.368 -16.489
  190    H    LEU  23           HN       LEU  23  -7.767   2.950  -9.335
  191    HA   LEU  23           HA       LEU  23  -9.335   1.522  -7.200
  192   1HB   LEU  23           HB2      LEU  23  -6.355   1.546  -7.681
  193   2HB   LEU  23           HB1      LEU  23  -7.116   0.879  -6.241
  194    HG   LEU  23           HG       LEU  23  -7.586  -0.061  -9.089
  195   1HD1  LEU  23          HD11      LEU  23  -6.050  -1.265  -6.765
  196   2HD1  LEU  23          HD13      LEU  23  -6.335  -2.058  -8.318
  197   3HD1  LEU  23          HD12      LEU  23  -5.354  -0.597  -8.244
  198   1HD2  LEU  23          HD23      LEU  23  -8.805  -0.768  -6.423
  199   2HD2  LEU  23          HD22      LEU  23  -9.574  -0.651  -8.004
  200   3HD2  LEU  23          HD21      LEU  23  -8.578  -2.051  -7.614
  201    H    SER  24           HN       SER  24  -9.094   2.308  -5.095
  202    HA   SER  24           HA       SER  24  -7.512   4.739  -4.599
  203   1HB   SER  24           HB2      SER  24  -9.627   5.829  -3.592
  204   2HB   SER  24           HB1      SER  24  -9.475   5.850  -5.349
  205    HG   SER  24           HG       SER  24 -11.172   4.372  -3.695
  206    H    LEU  25           HN       LEU  25  -6.859   4.738  -2.406
  207    HA   LEU  25           HA       LEU  25  -7.042   2.435  -0.834
  208   1HB   LEU  25           HB2      LEU  25  -6.934   5.306   0.147
  209   2HB   LEU  25           HB1      LEU  25  -6.604   3.888   1.153
  210    HG   LEU  25           HG       LEU  25  -5.078   4.194  -1.431
  211   1HD1  LEU  25          HD13      LEU  25  -4.442   5.674   1.142
  212   2HD1  LEU  25          HD12      LEU  25  -3.355   5.526  -0.240
  213   3HD1  LEU  25          HD11      LEU  25  -4.872   6.410  -0.403
  214   1HD2  LEU  25          HD22      LEU  25  -4.888   2.167   0.040
  215   2HD2  LEU  25          HD21      LEU  25  -3.358   3.021  -0.155
  216   3HD2  LEU  25          HD23      LEU  25  -4.288   3.206   1.332
  217    H    SER  26           HN       SER  26  -9.530   4.681  -1.543
  218    HA   SER  26           HA       SER  26 -11.170   4.051   0.805
  219   1HB   SER  26           HB2      SER  26 -11.706   6.177   0.021
  220   2HB   SER  26           HB1      SER  26 -11.472   5.722  -1.663
  221    HG   SER  26           HG       SER  26 -13.571   5.564  -1.644
  222    H    ALA  27           HN       ALA  27 -10.915   3.024  -2.562
  223    HA   ALA  27           HA       ALA  27 -13.350   1.476  -2.580
  224   1HB   ALA  27           HB2      ALA  27 -10.858   1.331  -4.297
  225   2HB   ALA  27           HB1      ALA  27 -12.326   0.403  -4.609
  226   3HB   ALA  27           HB3      ALA  27 -12.364   2.164  -4.681
  227    H    LEU  28           HN       LEU  28  -9.909   0.541  -2.148
  228    HA   LEU  28           HA       LEU  28 -10.393  -2.236  -1.771
  229   1HB   LEU  28           HB2      LEU  28  -8.217  -0.342  -0.950
  230   2HB   LEU  28           HB1      LEU  28  -8.214  -1.960  -0.259
  231    HG   LEU  28           HG       LEU  28  -6.811  -1.796  -2.275
  232   1HD1  LEU  28          HD11      LEU  28  -8.377  -3.872  -1.634
  233   2HD1  LEU  28          HD13      LEU  28  -9.111  -3.495  -3.193
  234   3HD1  LEU  28          HD12      LEU  28  -7.398  -3.879  -3.097
  235   1HD2  LEU  28          HD21      LEU  28  -8.231  -0.018  -3.348
  236   2HD2  LEU  28          HD23      LEU  28  -7.741  -1.316  -4.433
  237   3HD2  LEU  28          HD22      LEU  28  -9.382  -1.279  -3.786
  238    H    SER  29           HN       SER  29 -10.418   0.466   0.525
  239    HA   SER  29           HA       SER  29 -10.682  -1.100   2.895
  240   1HB   SER  29           HB2      SER  29 -11.867   1.639   2.357
  241   2HB   SER  29           HB1      SER  29 -11.533   0.934   3.936
  242    HG   SER  29           HG       SER  29  -9.577   1.634   3.716
  243    H    ARG  30           HN       ARG  30 -13.172   0.445   0.851
  244    HA   ARG  30           HA       ARG  30 -15.404  -0.655   2.298
  245   1HB   ARG  30           HB2      ARG  30 -15.889   1.287   1.070
  246   2HB   ARG  30           HB1      ARG  30 -15.032   0.713  -0.357
  247   1HG   ARG  30           HG2      ARG  30 -16.783  -0.811  -0.917
  248   2HG   ARG  30           HG1      ARG  30 -17.549  -0.623   0.659
  249   1HD   ARG  30           HD2      ARG  30 -18.699   0.660  -1.170
  250   2HD   ARG  30           HD1      ARG  30 -18.139   1.681   0.155
  251    HE   ARG  30           HE       ARG  30 -16.029   1.696  -1.653
  252   1HH1  ARG  30          HH21      ARG  30 -19.410   2.367  -1.724
  253   2HH1  ARG  30          HH22      ARG  30 -19.284   3.548  -2.985
  254   1HH2  ARG  30          HH11      ARG  30 -15.842   3.233  -3.300
  255   2HH2  ARG  30          HH12      ARG  30 -17.261   4.039  -3.877
  256    H    GLN  31           HN       GLN  31 -13.507  -1.805  -0.450
  257    HA   GLN  31           HA       GLN  31 -15.361  -3.822  -1.285
  258   1HB   GLN  31           HB2      GLN  31 -12.392  -3.441  -1.654
  259   2HB   GLN  31           HB1      GLN  31 -13.220  -4.862  -2.289
  260   1HG   GLN  31           HG2      GLN  31 -14.625  -3.548  -3.695
  261   2HG   GLN  31           HG1      GLN  31 -14.181  -2.052  -2.864
  262   1HE2  GLN  31          HE22      GLN  31 -10.907  -3.515  -4.777
  263   2HE2  GLN  31          HE21      GLN  31 -11.638  -4.370  -3.506
  264    H    PHE  32           HN       PHE  32 -12.865  -3.799   1.217
  265    HA   PHE  32           HA       PHE  32 -13.373  -6.704   1.737
  266   1HB   PHE  32           HB2      PHE  32 -11.179  -4.785   2.547
  267   2HB   PHE  32           HB1      PHE  32 -11.420  -6.305   3.410
  268    HD1  PHE  32           HD1      PHE  32 -10.508  -4.779   0.168
  269    HD2  PHE  32           HD2      PHE  32 -11.023  -8.459   2.346
  270    HE1  PHE  32           HE1      PHE  32  -9.345  -6.017  -1.650
  271    HE2  PHE  32           HE2      PHE  32  -9.858  -9.698   0.529
  272    HZ   PHE  32           HZ       PHE  32  -9.021  -8.478  -1.470
  273    H    GLY  33           HN       GLY  33 -13.906  -3.506   3.075
  274   1HA   GLY  33           HA2      GLY  33 -15.892  -3.331   4.571
  275   2HA   GLY  33           HA1      GLY  33 -15.321  -4.777   5.393
  276    H    TYR  34           HN       TYR  34 -12.576  -4.116   5.669
  277    HA   TYR  34           HA       TYR  34 -12.525  -2.708   8.066
  278   1HB   TYR  34           HB2      TYR  34 -10.278  -2.468   6.062
  279   2HB   TYR  34           HB1      TYR  34 -10.172  -2.465   7.819
  280    HD1  TYR  34           HD2      TYR  34 -11.629  -4.687   8.814
  281    HD2  TYR  34           HD1      TYR  34  -9.380  -4.414   5.147
  282    HE1  TYR  34           HE2      TYR  34 -11.342  -7.154   8.807
  283    HE2  TYR  34           HE1      TYR  34  -9.095  -6.880   5.146
  284    HH   TYR  34           HH       TYR  34  -9.097  -8.740   6.955
  285    H    ALA  35           HN       ALA  35 -12.982  -0.649   8.597
  286    HA   ALA  35           HA       ALA  35 -13.873   1.341   6.897
  287   1HB   ALA  35           HB1      ALA  35 -12.686   1.304   9.627
  288   2HB   ALA  35           HB3      ALA  35 -12.758   2.884   8.850
  289   3HB   ALA  35           HB2      ALA  35 -14.235   1.954   9.098
  290    HA   PRO  36           HA       PRO  36 -10.460   2.914   4.583
  291   1HB   PRO  36           HB2      PRO  36 -10.853   5.719   5.198
  292   2HB   PRO  36           HB1      PRO  36 -11.307   4.856   3.724
  293   1HG   PRO  36           HG2      PRO  36 -13.052   5.780   5.865
  294   2HG   PRO  36           HG1      PRO  36 -13.510   5.017   4.334
  295   1HD   PRO  36           HD2      PRO  36 -13.640   3.834   6.937
  296   2HD   PRO  36           HD1      PRO  36 -13.913   3.025   5.381
  297    H    THR  37           HN       THR  37 -10.914   4.101   7.874
  298    HA   THR  37           HA       THR  37  -8.329   5.228   8.274
  299    HB   THR  37           HB       THR  37  -8.770   4.789  10.700
  300    HG1  THR  37           HG1      THR  37 -11.253   3.977  10.560
  301   1HG2  THR  37          HG22      THR  37  -9.694   6.783   9.582
  302   2HG2  THR  37          HG21      THR  37 -11.126   5.860   9.123
  303   3HG2  THR  37          HG23      THR  37 -10.795   6.184  10.824
  304    H    THR  38           HN       THR  38  -9.518   1.920   8.924
  305    HA   THR  38           HA       THR  38  -7.107   0.837   9.917
  306    HB   THR  38           HB       THR  38  -9.348  -0.390   8.298
  307    HG1  THR  38           HG1      THR  38  -9.456   0.396  10.601
  308   1HG2  THR  38          HG22      THR  38  -6.840  -1.650   9.393
  309   2HG2  THR  38          HG21      THR  38  -8.331  -2.581   9.269
  310   3HG2  THR  38          HG23      THR  38  -7.603  -1.888   7.819
  311    H    LEU  39           HN       LEU  39  -8.287   0.345   6.571
  312    HA   LEU  39           HA       LEU  39  -5.907  -0.617   5.501
  313   1HB   LEU  39           HB2      LEU  39  -8.075  -0.536   4.282
  314   2HB   LEU  39           HB1      LEU  39  -7.889   1.208   4.106
  315    HG   LEU  39           HG       LEU  39  -5.857   0.900   2.793
  316   1HD1  LEU  39          HD13      LEU  39  -6.242  -1.975   3.604
  317   2HD1  LEU  39          HD12      LEU  39  -5.493  -1.635   2.047
  318   3HD1  LEU  39          HD11      LEU  39  -4.754  -1.031   3.527
  319   1HD2  LEU  39          HD22      LEU  39  -8.122  -0.868   1.841
  320   2HD2  LEU  39          HD21      LEU  39  -7.995   0.872   1.609
  321   3HD2  LEU  39          HD23      LEU  39  -6.843  -0.199   0.828
  322    H    ALA  40           HN       ALA  40  -6.926   2.801   5.703
  323    HA   ALA  40           HA       ALA  40  -4.658   3.952   4.469
  324   1HB   ALA  40           HB3      ALA  40  -6.678   5.235   5.118
  325   2HB   ALA  40           HB2      ALA  40  -6.244   5.043   6.816
  326   3HB   ALA  40           HB1      ALA  40  -5.208   5.985   5.743
  327    H    ASN  41           HN       ASN  41  -5.189   3.704   7.992
  328    HA   ASN  41           HA       ASN  41  -2.556   4.344   8.779
  329   1HB   ASN  41           HB2      ASN  41  -4.466   4.269  10.341
  330   2HB   ASN  41           HB1      ASN  41  -4.530   2.510  10.177
  331   1HD2  ASN  41          HD22      ASN  41  -2.353   2.317  12.950
  332   2HD2  ASN  41          HD21      ASN  41  -3.861   1.901  12.292
  333    H    ALA  42           HN       ALA  42  -3.571   1.580   7.089
  334    HA   ALA  42           HA       ALA  42  -1.759  -0.340   8.282
  335   1HB   ALA  42           HB3      ALA  42  -3.806  -0.829   6.791
  336   2HB   ALA  42           HB2      ALA  42  -2.753  -0.435   5.431
  337   3HB   ALA  42           HB1      ALA  42  -2.353  -1.783   6.493
  338    H    LEU  43           HN       LEU  43  -0.985   2.456   6.910
  339    HA   LEU  43           HA       LEU  43   1.113   1.528   5.073
  340   1HB   LEU  43           HB2      LEU  43   0.201   4.235   6.050
  341   2HB   LEU  43           HB1      LEU  43   1.667   4.054   5.083
  342    HG   LEU  43           HG       LEU  43  -0.880   2.773   4.100
  343   1HD1  LEU  43          HD11      LEU  43  -0.188   5.708   3.782
  344   2HD1  LEU  43          HD13      LEU  43  -1.476   4.863   2.925
  345   3HD1  LEU  43          HD12      LEU  43  -1.562   5.057   4.674
  346   1HD2  LEU  43          HD21      LEU  43   1.359   2.461   2.968
  347   2HD2  LEU  43          HD23      LEU  43   0.124   3.169   1.928
  348   3HD2  LEU  43          HD22      LEU  43   1.371   4.192   2.640
  349    H    GLU  44           HN       GLU  44   0.821   2.349   8.443
  350    HA   GLU  44           HA       GLU  44   3.791   2.042   8.730
  351   1HB   GLU  44           HB2      GLU  44   3.619   3.713  10.623
  352   2HB   GLU  44           HB1      GLU  44   3.381   4.389   9.012
  353   1HG   GLU  44           HG2      GLU  44   0.936   4.248   9.307
  354   2HG   GLU  44           HG1      GLU  44   1.169   3.567  10.918
  355    H    ARG  45           HN       ARG  45   0.612   1.248   9.897
  356    HA   ARG  45           HA       ARG  45   1.512   0.329  12.501
  357   1HB   ARG  45           HB2      ARG  45  -0.878   0.997  11.908
  358   2HB   ARG  45           HB1      ARG  45  -1.004  -0.552  11.072
  359   1HG   ARG  45           HG2      ARG  45  -1.842  -0.995  13.246
  360   2HG   ARG  45           HG1      ARG  45  -0.199  -1.623  13.257
  361   1HD   ARG  45           HD2      ARG  45   0.009   1.107  14.060
  362   2HD   ARG  45           HD1      ARG  45  -1.361   0.453  14.942
  363    HE   ARG  45           HE       ARG  45   1.358  -0.022  15.563
  364   1HH1  ARG  45          HH21      ARG  45  -1.490  -1.856  14.913
  365   2HH1  ARG  45          HH22      ARG  45  -0.950  -3.246  15.792
  366   1HH2  ARG  45          HH11      ARG  45   2.075  -1.826  16.707
  367   2HH2  ARG  45          HH12      ARG  45   1.065  -3.229  16.805
  368    H    HIS  46           HN       HIS  46   2.073  -1.721  13.144
  369    HA   HIS  46           HA       HIS  46   3.261  -3.485  11.238
  370   1HB   HIS  46           HB2      HIS  46   2.310  -4.268  14.006
  371   2HB   HIS  46           HB1      HIS  46   3.656  -4.953  13.090
  372    HD1  HIS  46           HD1      HIS  46   3.657  -3.334  15.965
  373    HD2  HIS  46           HD2      HIS  46   5.062  -2.008  12.271
  374    HE1  HIS  46           HE1      HIS  46   5.345  -1.509  16.452
  375    H    TRP  47           HN       TRP  47   1.667  -4.022   9.654
  376    HA   TRP  47           HA       TRP  47   0.011  -6.309  10.340
  377   1HB   TRP  47           HB2      TRP  47  -1.430  -4.437  11.118
  378   2HB   TRP  47           HB1      TRP  47  -1.360  -3.733   9.504
  379    HD1  TRP  47           HD1      TRP  47  -1.993  -7.404  10.606
  380    HE1  TRP  47           HE1      TRP  47  -4.165  -8.203   9.481
  381    HE3  TRP  47           HE3      TRP  47  -3.391  -3.090   8.237
  382    HZ2  TRP  47           HZ2      TRP  47  -6.235  -7.158   7.798
  383    HZ3  TRP  47           HZ3      TRP  47  -5.475  -3.017   6.884
  384    HH2  TRP  47           HH2      TRP  47  -6.900  -5.044   6.668
  385    HA   PRO  48           HA       PRO  48   1.833  -5.770   6.052
  386   1HB   PRO  48           HB2      PRO  48   2.468  -8.627   6.255
  387   2HB   PRO  48           HB1      PRO  48   3.566  -7.258   6.021
  388   1HG   PRO  48           HG2      PRO  48   3.266  -8.775   8.409
  389   2HG   PRO  48           HG1      PRO  48   4.154  -7.252   8.239
  390   1HD   PRO  48           HD2      PRO  48   1.592  -7.723   9.567
  391   2HD   PRO  48           HD1      PRO  48   2.585  -6.244   9.577
  392    H    LYS  49           HN       LYS  49  -0.634  -7.737   7.489
  393    HA   LYS  49           HA       LYS  49  -1.423  -9.084   5.053
  394   1HB   LYS  49           HB2      LYS  49  -2.210 -10.124   7.024
  395   2HB   LYS  49           HB1      LYS  49  -2.726  -8.604   7.728
  396   1HG   LYS  49           HG2      LYS  49  -4.680  -9.915   7.067
  397   2HG   LYS  49           HG1      LYS  49  -4.585  -8.475   6.076
  398   1HD   LYS  49           HD2      LYS  49  -5.075 -10.183   4.530
  399   2HD   LYS  49           HD1      LYS  49  -3.342  -9.988   4.358
  400   1HE   LYS  49           HE2      LYS  49  -4.042 -12.380   4.505
  401   2HE   LYS  49           HE1      LYS  49  -2.941 -11.925   5.800
  402   1HZ   LYS  49           HZ3      LYS  49  -5.878 -11.809   6.120
  403   2HZ   LYS  49           HZ2      LYS  49  -4.996 -13.224   6.443
  404   3HZ   LYS  49           HZ1      LYS  49  -4.690 -11.808   7.331
  405    H    GLY  50           HN       GLY  50  -1.890  -5.915   6.368
  406   1HA   GLY  50           HA2      GLY  50  -4.205  -5.252   4.713
  407   2HA   GLY  50           HA1      GLY  50  -3.221  -4.102   5.628
  408    H    GLU  51           HN       GLU  51  -0.737  -5.276   4.383
  409    HA   GLU  51           HA       GLU  51  -0.583  -3.489   2.117
  410   1HB   GLU  51           HB2      GLU  51   1.243  -5.648   3.220
  411   2HB   GLU  51           HB1      GLU  51   1.648  -4.700   1.797
  412   1HG   GLU  51           HG2      GLU  51   2.567  -3.858   4.043
  413   2HG   GLU  51           HG1      GLU  51   1.755  -2.680   3.020
  414    H    GLN  52           HN       GLN  52  -1.154  -6.904   2.661
  415    HA   GLN  52           HA       GLN  52  -0.915  -7.840  -0.030
  416   1HB   GLN  52           HB2      GLN  52  -2.604  -8.789   2.303
  417   2HB   GLN  52           HB1      GLN  52  -2.501  -9.659   0.774
  418   1HG   GLN  52           HG2      GLN  52   0.050  -8.902   2.185
  419   2HG   GLN  52           HG1      GLN  52  -0.875 -10.277   2.781
  420   1HE2  GLN  52          HE22      GLN  52   0.772 -10.538  -0.984
  421   2HE2  GLN  52          HE21      GLN  52   0.413  -9.006  -0.351
  422    H    ILE  53           HN       ILE  53  -3.586  -6.374   1.792
  423    HA   ILE  53           HA       ILE  53  -5.671  -6.782  -0.071
  424    HB   ILE  53           HB       ILE  53  -5.134  -4.427   1.769
  425   1HG1  ILE  53          HG12      ILE  53  -6.975  -6.832   2.023
  426   2HG1  ILE  53          HG11      ILE  53  -5.409  -6.677   2.819
  427   1HG2  ILE  53          HG21      ILE  53  -7.626  -5.173   0.204
  428   2HG2  ILE  53          HG23      ILE  53  -7.593  -3.981   1.502
  429   3HG2  ILE  53          HG22      ILE  53  -6.676  -3.698   0.027
  430   1HD1  ILE  53          HD13      ILE  53  -6.469  -4.392   3.709
  431   2HD1  ILE  53          HD12      ILE  53  -7.984  -5.246   3.405
  432   3HD1  ILE  53          HD11      ILE  53  -6.802  -5.922   4.519
  433    H    ILE  54           HN       ILE  54  -3.486  -3.934   0.156
  434    HA   ILE  54           HA       ILE  54  -4.437  -2.740  -2.274
  435    HB   ILE  54           HB       ILE  54  -1.806  -2.450  -0.797
  436   1HG1  ILE  54          HG12      ILE  54  -4.192  -0.593  -1.004
  437   2HG1  ILE  54          HG11      ILE  54  -4.007  -1.774   0.290
  438   1HG2  ILE  54          HG21      ILE  54  -2.940  -1.003  -3.196
  439   2HG2  ILE  54          HG23      ILE  54  -1.721  -0.264  -2.158
  440   3HG2  ILE  54          HG22      ILE  54  -1.353  -1.748  -3.033
  441   1HD1  ILE  54          HD11      ILE  54  -1.628  -0.617   0.580
  442   2HD1  ILE  54          HD13      ILE  54  -2.431   0.734  -0.221
  443   3HD1  ILE  54          HD12      ILE  54  -3.065   0.105   1.295
  444    H    ALA  55           HN       ALA  55  -1.445  -4.646  -1.684
  445    HA   ALA  55           HA       ALA  55  -0.570  -4.671  -4.385
  446   1HB   ALA  55           HB1      ALA  55   0.719  -5.441  -2.325
  447   2HB   ALA  55           HB3      ALA  55  -0.190  -6.949  -2.429
  448   3HB   ALA  55           HB2      ALA  55   0.879  -6.470  -3.748
  449    H    ASN  56           HN       ASN  56  -2.890  -6.714  -2.698
  450    HA   ASN  56           HA       ASN  56  -3.161  -8.789  -4.603
  451   1HB   ASN  56           HB2      ASN  56  -4.252  -8.927  -2.427
  452   2HB   ASN  56           HB1      ASN  56  -5.261  -7.531  -2.810
  453   1HD2  ASN  56          HD22      ASN  56  -7.434  -9.375  -4.982
  454   2HD2  ASN  56          HD21      ASN  56  -6.858  -7.818  -4.627
  455    H    ALA  57           HN       ALA  57  -4.535  -5.537  -4.522
  456    HA   ALA  57           HA       ALA  57  -6.411  -5.861  -6.633
  457   1HB   ALA  57           HB3      ALA  57  -5.949  -3.849  -4.984
  458   2HB   ALA  57           HB2      ALA  57  -4.926  -3.269  -6.297
  459   3HB   ALA  57           HB1      ALA  57  -6.646  -3.547  -6.573
  460    H    LEU  58           HN       LEU  58  -2.927  -5.117  -6.752
  461    HA   LEU  58           HA       LEU  58  -3.023  -4.862  -9.697
  462   1HB   LEU  58           HB2      LEU  58  -0.793  -4.751  -7.649
  463   2HB   LEU  58           HB1      LEU  58  -0.485  -4.696  -9.379
  464    HG   LEU  58           HG       LEU  58  -2.435  -2.776  -8.103
  465   1HD1  LEU  58          HD12      LEU  58   0.580  -2.494  -8.311
  466   2HD1  LEU  58          HD11      LEU  58  -0.516  -1.157  -7.961
  467   3HD1  LEU  58          HD13      LEU  58  -0.378  -2.504  -6.831
  468   1HD2  LEU  58          HD21      LEU  58  -0.710  -2.751 -10.607
  469   2HD2  LEU  58          HD23      LEU  58  -2.470  -2.785 -10.526
  470   3HD2  LEU  58          HD22      LEU  58  -1.596  -1.343 -10.027
  471    H    GLU  59           HN       GLU  59  -3.406  -7.414  -7.821
  472    HA   GLU  59           HA       GLU  59  -2.920  -9.701  -7.992
  473   1HB   GLU  59           HB2      GLU  59  -2.275  -8.905 -10.849
  474   2HB   GLU  59           HB1      GLU  59  -2.600 -10.542 -10.283
  475   1HG   GLU  59           HG2      GLU  59  -4.858  -9.836  -9.558
  476   2HG   GLU  59           HG1      GLU  59  -4.535  -8.212 -10.165
  477    H    THR  60           HN       THR  60  -0.667  -7.598  -7.552
  478    HA   THR  60           HA       THR  60   1.644  -9.368  -8.289
  479    HB   THR  60           HB       THR  60   1.562  -6.933  -9.120
  480    HG1  THR  60           HG1      THR  60   3.477  -8.472  -8.457
  481   1HG2  THR  60          HG22      THR  60   0.829  -6.167  -6.726
  482   2HG2  THR  60          HG21      THR  60   2.553  -6.253  -6.362
  483   3HG2  THR  60          HG23      THR  60   1.973  -5.172  -7.628
  484    H    LYS  61           HN       LYS  61   3.524  -8.512  -6.503
  485    HA   LYS  61           HA       LYS  61   2.401  -9.471  -3.914
  486   1HB   LYS  61           HB2      LYS  61   5.268  -9.338  -4.885
  487   2HB   LYS  61           HB1      LYS  61   4.734 -10.073  -3.376
  488   1HG   LYS  61           HG2      LYS  61   3.711 -11.880  -4.451
  489   2HG   LYS  61           HG1      LYS  61   3.529 -11.014  -5.973
  490   1HD   LYS  61           HD2      LYS  61   6.309 -11.549  -4.946
  491   2HD   LYS  61           HD1      LYS  61   5.416 -12.869  -5.698
  492   1HE   LYS  61           HE2      LYS  61   5.060 -11.480  -7.713
  493   2HE   LYS  61           HE1      LYS  61   5.962 -10.163  -6.963
  494   1HZ   LYS  61           HZ2      LYS  61   7.835 -11.811  -6.739
  495   2HZ   LYS  61           HZ1      LYS  61   6.963 -12.824  -7.786
  496   3HZ   LYS  61           HZ3      LYS  61   7.482 -11.301  -8.320
  497    HA   PRO  62           HA       PRO  62   3.069  -5.441  -2.130
  498   1HB   PRO  62           HB2      PRO  62   4.024  -6.323   0.431
  499   2HB   PRO  62           HB1      PRO  62   2.370  -5.905   0.000
  500   1HG   PRO  62           HG2      PRO  62   3.519  -8.573   0.426
  501   2HG   PRO  62           HG1      PRO  62   1.816  -8.105   0.318
  502   1HD   PRO  62           HD2      PRO  62   3.291  -9.494  -1.672
  503   2HD   PRO  62           HD1      PRO  62   1.692  -8.749  -1.879
  504    H    GLU  63           HN       GLU  63   5.535  -7.913  -2.119
  505    HA   GLU  63           HA       GLU  63   7.773  -6.405  -1.238
  506   1HB   GLU  63           HB2      GLU  63   7.937  -8.456  -3.447
  507   2HB   GLU  63           HB1      GLU  63   9.115  -8.110  -2.180
  508   1HG   GLU  63           HG2      GLU  63   7.338  -8.869  -0.512
  509   2HG   GLU  63           HG1      GLU  63   6.438  -9.482  -1.896
  510    H    VAL  64           HN       VAL  64   5.848  -5.986  -4.010
  511    HA   VAL  64           HA       VAL  64   8.020  -4.781  -5.628
  512    HB   VAL  64           HB       VAL  64   5.056  -4.951  -6.228
  513   1HG1  VAL  64          HG12      VAL  64   7.530  -4.428  -7.897
  514   2HG1  VAL  64          HG11      VAL  64   5.950  -4.793  -8.591
  515   3HG1  VAL  64          HG13      VAL  64   6.173  -3.335  -7.625
  516   1HG2  VAL  64          HG21      VAL  64   7.333  -6.858  -6.852
  517   2HG2  VAL  64          HG23      VAL  64   5.897  -7.205  -5.887
  518   3HG2  VAL  64          HG22      VAL  64   5.748  -6.933  -7.622
  519    H    ILE  65           HN       ILE  65   5.297  -3.747  -3.621
  520    HA   ILE  65           HA       ILE  65   5.574  -0.955  -4.565
  521    HB   ILE  65           HB       ILE  65   3.774  -2.147  -2.448
  522   1HG1  ILE  65          HG12      ILE  65   2.971  -1.129  -5.181
  523   2HG1  ILE  65          HG11      ILE  65   3.511  -2.795  -4.966
  524   1HG2  ILE  65          HG21      ILE  65   4.004   0.610  -3.656
  525   2HG2  ILE  65          HG23      ILE  65   2.544   0.063  -2.831
  526   3HG2  ILE  65          HG22      ILE  65   4.066   0.167  -1.950
  527   1HD1  ILE  65          HD11      ILE  65   1.732  -2.925  -3.075
  528   2HD1  ILE  65          HD13      ILE  65   1.072  -1.453  -3.787
  529   3HD1  ILE  65          HD12      ILE  65   1.161  -2.930  -4.739
  530    H    TRP  66           HN       TRP  66   6.672  -2.938  -1.896
  531    HA   TRP  66           HA       TRP  66   7.942  -0.492  -0.687
  532   1HB   TRP  66           HB2      TRP  66   6.510  -2.759   0.717
  533   2HB   TRP  66           HB1      TRP  66   7.619  -1.668   1.552
  534    HD1  TRP  66           HD1      TRP  66   6.997   0.987   1.458
  535    HE1  TRP  66           HE1      TRP  66   4.704   2.155   1.337
  536    HE3  TRP  66           HE3      TRP  66   4.095  -2.943  -0.054
  537    HZ2  TRP  66           HZ2      TRP  66   1.989   1.515   0.681
  538    HZ3  TRP  66           HZ3      TRP  66   1.655  -2.637  -0.424
  539    HH2  TRP  66           HH2      TRP  66   0.603  -0.414  -0.058
  540    HA   PRO  67           HA       PRO  67  11.084  -3.807  -1.535
  541   1HB   PRO  67           HB2      PRO  67  12.820  -2.048  -2.887
  542   2HB   PRO  67           HB1      PRO  67  11.675  -3.156  -3.665
  543   1HG   PRO  67           HG2      PRO  67  11.519  -0.220  -3.420
  544   2HG   PRO  67           HG1      PRO  67  10.603  -1.293  -4.485
  545   1HD   PRO  67           HD2      PRO  67   9.661  -0.027  -2.092
  546   2HD   PRO  67           HD1      PRO  67   8.794  -1.216  -3.086
  547    H    SER  68           HN       SER  68  10.994  -0.650  -0.131
  548    HA   SER  68           HA       SER  68  13.631  -0.320   0.815
  549   1HB   SER  68           HB2      SER  68  11.505   1.212   1.012
  550   2HB   SER  68           HB1      SER  68  11.289   0.404   2.562
  551    HG   SER  68           HG       SER  68  13.018   1.380   3.309
  552    H    ARG  69           HN       ARG  69  11.764  -2.973   1.388
  553    HA   ARG  69           HA       ARG  69  13.300  -3.617   3.860
  554   1HB   ARG  69           HB2      ARG  69  10.314  -3.806   3.454
  555   2HB   ARG  69           HB1      ARG  69  11.124  -4.908   4.571
  556   1HG   ARG  69           HG2      ARG  69  11.664  -1.947   4.778
  557   2HG   ARG  69           HG1      ARG  69  10.171  -2.597   5.448
  558   1HD   ARG  69           HD2      ARG  69  11.299  -3.921   7.023
  559   2HD   ARG  69           HD1      ARG  69  12.809  -3.895   6.114
  560    HE   ARG  69           HE       ARG  69  12.396  -1.240   6.792
  561   1HH1  ARG  69          HH21      ARG  69  12.517  -4.260   8.455
  562   2HH1  ARG  69          HH22      ARG  69  13.125  -3.576   9.925
  563   1HH2  ARG  69          HH11      ARG  69  13.191  -0.332   8.704
  564   2HH2  ARG  69          HH12      ARG  69  13.513  -1.355  10.063
  565    H    TYR  70           HN       TYR  70  11.623  -4.670   0.966
  566    HA   TYR  70           HA       TYR  70  12.627  -7.465   1.330
  567   1HB   TYR  70           HB2      TYR  70  10.736  -6.217  -0.697
  568   2HB   TYR  70           HB1      TYR  70  11.186  -7.918  -0.671
  569    HD1  TYR  70           HD2      TYR  70  10.801  -9.205   1.594
  570    HD2  TYR  70           HD1      TYR  70   8.899  -5.495   0.549
  571    HE1  TYR  70           HE2      TYR  70   9.011  -9.654   3.264
  572    HE2  TYR  70           HE1      TYR  70   7.090  -5.938   2.205
  573    HH   TYR  70           HH       TYR  70   6.216  -8.511   3.316
  574    H    GLN  71           HN       GLN  71  13.496  -8.438  -0.829
  575    HA   GLN  71           HA       GLN  71  14.774  -6.537  -2.648
  576   1HB   GLN  71           HB2      GLN  71  16.252  -6.663  -0.558
  577   2HB   GLN  71           HB1      GLN  71  16.595  -8.325  -1.023
  578   1HG   GLN  71           HG2      GLN  71  17.017  -5.953  -2.864
  579   2HG   GLN  71           HG1      GLN  71  18.287  -6.645  -1.855
  580   1HE2  GLN  71          HE22      GLN  71  17.545  -8.347  -5.381
  581   2HE2  GLN  71          HE21      GLN  71  17.030  -6.788  -4.951
  582    H    ALA  72           HN       ALA  72  15.979  -9.770  -1.800
  583    HA   ALA  72           HA       ALA  72  16.217 -11.649  -3.192
  584   1HB   ALA  72           HB1      ALA  72  13.849 -11.840  -2.479
  585   2HB   ALA  72           HB3      ALA  72  13.364 -10.879  -3.875
  586   3HB   ALA  72           HB2      ALA  72  14.091 -12.468  -4.110
  587    H    GLY  73           HN       GLY  73  17.767 -10.674  -4.653
  588   1HA   GLY  73           HA2      GLY  73  16.926  -9.154  -6.964
  589   2HA   GLY  73           HA1      GLY  73  18.518  -9.879  -6.737
  590    H    GLU  74           HN       GLU  74  16.269 -12.266  -6.228
  591    HA   GLU  74           HA       GLU  74  16.741 -13.383  -8.941
  592   1HB   GLU  74           HB2      GLU  74  15.786 -15.473  -7.915
  593   2HB   GLU  74           HB1      GLU  74  17.232 -14.877  -7.097
  594   1HG   GLU  74           HG2      GLU  74  15.850 -13.799  -5.381
  595   2HG   GLU  74           HG1      GLU  74  14.383 -14.324  -6.211
   
  No H/Q in entry =         595
  Start of MODEL          24
 Raw file had  612 H/Q atoms
  Start of MODEL   24
    1   1H    CYS   1           HT1      CYS   1  10.218   6.506   7.062
    2   2H    CYS   1           HT3      CYS   1  11.751   5.902   7.468
    3   3H    CYS   1           HT2      CYS   1  10.439   4.837   7.289
    4    HA   CYS   1           HA       CYS   1   9.425   5.529   9.249
    5   1HB   CYS   1           HB2      CYS   1  12.419   5.639   9.740
    6   2HB   CYS   1           HB1      CYS   1  11.182   5.269  10.941
    7    HG   CYS   1           HG       CYS   1  12.146   3.008   9.943
    8    H    SER   2           HN       SER   2  11.802   7.827   8.049
    9    HA   SER   2           HA       SER   2  10.283  10.015   9.317
   10   1HB   SER   2           HB2      SER   2  13.251   9.694   9.861
   11   2HB   SER   2           HB1      SER   2  12.207  10.984  10.445
   12    HG   SER   2           HG       SER   2  10.972   9.274  11.482
   13    H    ASN   3           HN       ASN   3  12.094   8.735   6.802
   14    HA   ASN   3           HA       ASN   3  13.047  11.326   5.751
   15   1HB   ASN   3           HB2      ASN   3  14.341   9.175   5.478
   16   2HB   ASN   3           HB1      ASN   3  13.073   8.628   4.380
   17   1HD2  ASN   3          HD22      ASN   3  14.637  10.266   1.695
   18   2HD2  ASN   3          HD21      ASN   3  13.813   8.898   2.270
   19    H    GLU   4           HN       GLU   4  10.070   9.928   5.876
   20    HA   GLU   4           HA       GLU   4   8.091  10.406   4.712
   21   1HB   GLU   4           HB2      GLU   4   9.390  12.672   4.403
   22   2HB   GLU   4           HB1      GLU   4   9.604  12.115   2.745
   23   1HG   GLU   4           HG2      GLU   4   7.108  11.754   2.633
   24   2HG   GLU   4           HG1      GLU   4   6.985  12.567   4.195
   25    H    LYS   5           HN       LYS   5  10.677  10.371   2.237
   26    HA   LYS   5           HA       LYS   5   9.052   8.513   0.593
   27   1HB   LYS   5           HB2      LYS   5  11.747   9.544  -0.269
   28   2HB   LYS   5           HB1      LYS   5  10.305   9.241  -1.240
   29   1HG   LYS   5           HG2      LYS   5   9.242  11.185   0.119
   30   2HG   LYS   5           HG1      LYS   5  10.899  11.582   0.570
   31   1HD   LYS   5           HD2      LYS   5  11.483  11.671  -1.865
   32   2HD   LYS   5           HD1      LYS   5   9.774  11.437  -2.244
   33   1HE   LYS   5           HE2      LYS   5  10.170  13.811  -2.273
   34   2HE   LYS   5           HE1      LYS   5   9.291  13.457  -0.783
   35   1HZ   LYS   5           HZ1      LYS   5  12.110  13.188  -0.458
   36   2HZ   LYS   5           HZ3      LYS   5  11.690  14.748  -0.971
   37   3HZ   LYS   5           HZ2      LYS   5  11.001  14.107   0.444
   38    H    ALA   6           HN       ALA   6  12.547   8.708   1.328
   39    HA   ALA   6           HA       ALA   6  14.030   7.044   2.049
   40   1HB   ALA   6           HB3      ALA   6  11.840   6.469   3.466
   41   2HB   ALA   6           HB2      ALA   6  11.822   5.046   2.430
   42   3HB   ALA   6           HB1      ALA   6  13.224   5.377   3.447
   43    H    ARG   7           HN       ARG   7  13.147   4.111   1.530
   44    HA   ARG   7           HA       ARG   7  14.064   4.077  -1.302
   45   1HB   ARG   7           HB2      ARG   7  13.790   1.948   0.835
   46   2HB   ARG   7           HB1      ARG   7  14.186   1.569  -0.840
   47   1HG   ARG   7           HG2      ARG   7  16.160   1.743   0.699
   48   2HG   ARG   7           HG1      ARG   7  16.244   2.782  -0.716
   49   1HD   ARG   7           HD2      ARG   7  15.698   4.720   0.549
   50   2HD   ARG   7           HD1      ARG   7  15.162   3.775   1.935
   51    HE   ARG   7           HE       ARG   7  17.851   4.679   1.353
   52   1HH1  ARG   7          HH21      ARG   7  16.118   1.957   2.597
   53   2HH1  ARG   7          HH22      ARG   7  17.517   1.254   3.337
   54   1HH2  ARG   7          HH11      ARG   7  19.659   3.777   2.313
   55   2HH2  ARG   7          HH12      ARG   7  19.519   2.282   3.178
   56    H    ASP   8           HN       ASP   8  11.233   3.633   0.619
   57    HA   ASP   8           HA       ASP   8   9.848   1.778  -1.099
   58   1HB   ASP   8           HB2      ASP   8   8.512   3.837   0.676
   59   2HB   ASP   8           HB1      ASP   8   7.930   2.229   0.233
   60    H    TRP   9           HN       TRP   9   7.525   2.678  -1.799
   61    HA   TRP   9           HA       TRP   9   7.962   4.353  -4.115
   62   1HB   TRP   9           HB2      TRP   9   5.527   3.125  -2.775
   63   2HB   TRP   9           HB1      TRP   9   5.372   4.200  -4.159
   64    HD1  TRP   9           HD1      TRP   9   8.081   1.507  -3.610
   65    HE1  TRP   9           HE1      TRP   9   8.033  -0.106  -5.610
   66    HE3  TRP   9           HE3      TRP   9   3.937   3.266  -6.041
   67    HZ2  TRP   9           HZ2      TRP   9   6.406  -0.639  -7.912
   68    HZ3  TRP   9           HZ3      TRP   9   3.138   2.156  -8.121
   69    HH2  TRP   9           HH2      TRP   9   4.368   0.207  -9.053
   70    H    HIS  10           HN       HIS  10   5.100   5.282  -2.768
   71    HA   HIS  10           HA       HIS  10   5.909   7.326  -0.938
   72   1HB   HIS  10           HB2      HIS  10   6.764   8.205  -3.244
   73   2HB   HIS  10           HB1      HIS  10   5.060   8.478  -3.607
   74    HD1  HIS  10           HD1      HIS  10   3.755  10.148  -1.983
   75    HD2  HIS  10           HD2      HIS  10   7.897  10.103  -1.510
   76    HE1  HIS  10           HE1      HIS  10   4.349  12.223  -0.659
   77    H    ARG  11           HN       ARG  11   4.058   8.392  -0.085
   78    HA   ARG  11           HA       ARG  11   1.672   6.917  -0.077
   79   1HB   ARG  11           HB2      ARG  11   2.028   9.890   0.407
   80   2HB   ARG  11           HB1      ARG  11   0.632   8.933   0.909
   81   1HG   ARG  11           HG2      ARG  11   2.020   7.565   2.355
   82   2HG   ARG  11           HG1      ARG  11   3.483   8.355   1.763
   83   1HD   ARG  11           HD2      ARG  11   1.238   9.893   3.082
   84   2HD   ARG  11           HD1      ARG  11   2.573   9.200   4.004
   85    HE   ARG  11           HE       ARG  11   3.869  10.652   2.054
   86   1HH1  ARG  11          HH21      ARG  11   1.325  11.259   4.290
   87   2HH1  ARG  11          HH22      ARG  11   1.730  12.929   4.513
   88   1HH2  ARG  11          HH11      ARG  11   4.424  12.842   2.322
   89   2HH2  ARG  11          HH12      ARG  11   3.486  13.829   3.393
   90    H    ALA  12           HN       ALA  12   2.779   9.351  -2.343
   91    HA   ALA  12           HA       ALA  12   0.129   9.474  -3.677
   92   1HB   ALA  12           HB1      ALA  12   2.779  10.826  -4.252
   93   2HB   ALA  12           HB3      ALA  12   1.329  11.037  -5.234
   94   3HB   ALA  12           HB2      ALA  12   1.339  11.562  -3.551
   95    H    ASP  13           HN       ASP  13   3.366   8.128  -4.126
   96    HA   ASP  13           HA       ASP  13   2.935   7.222  -6.827
   97   1HB   ASP  13           HB2      ASP  13   4.855   6.420  -4.648
   98   2HB   ASP  13           HB1      ASP  13   4.829   5.586  -6.204
   99    H    VAL  14           HN       VAL  14   1.950   6.118  -3.723
  100    HA   VAL  14           HA       VAL  14   1.314   3.392  -4.573
  101    HB   VAL  14           HB       VAL  14   0.619   5.066  -2.141
  102   1HG1  VAL  14          HG12      VAL  14  -0.282   2.281  -2.891
  103   2HG1  VAL  14          HG11      VAL  14  -0.240   2.835  -1.218
  104   3HG1  VAL  14          HG13      VAL  14  -1.281   3.647  -2.389
  105   1HG2  VAL  14          HG22      VAL  14   2.937   4.204  -2.348
  106   2HG2  VAL  14          HG21      VAL  14   2.084   3.464  -0.992
  107   3HG2  VAL  14          HG23      VAL  14   2.302   2.567  -2.495
  108    H    ILE  15           HN       ILE  15  -0.690   6.181  -3.558
  109    HA   ILE  15           HA       ILE  15  -3.130   5.099  -4.632
  110    HB   ILE  15           HB       ILE  15  -2.413   7.967  -3.950
  111   1HG1  ILE  15          HG12      ILE  15  -4.000   6.113  -2.180
  112   2HG1  ILE  15          HG11      ILE  15  -2.244   5.997  -2.171
  113   1HG2  ILE  15          HG22      ILE  15  -5.090   6.576  -4.262
  114   2HG2  ILE  15          HG21      ILE  15  -4.873   8.215  -3.656
  115   3HG2  ILE  15          HG23      ILE  15  -4.430   7.825  -5.314
  116   1HD1  ILE  15          HD12      ILE  15  -2.110   8.425  -1.684
  117   2HD1  ILE  15          HD11      ILE  15  -3.867   8.487  -1.584
  118   3HD1  ILE  15          HD13      ILE  15  -2.949   7.530  -0.423
  119    H    ALA  16           HN       ALA  16  -0.995   7.726  -5.830
  120    HA   ALA  16           HA       ALA  16  -2.476   8.360  -8.140
  121   1HB   ALA  16           HB3      ALA  16  -0.369   9.505  -7.232
  122   2HB   ALA  16           HB2      ALA  16   0.544   8.267  -8.093
  123   3HB   ALA  16           HB1      ALA  16  -0.498   9.376  -8.987
  124    H    GLY  17           HN       GLY  17   0.199   6.022  -7.847
  125   1HA   GLY  17           HA2      GLY  17   0.038   5.048 -10.517
  126   2HA   GLY  17           HA1      GLY  17   0.752   4.184  -9.160
  127    H    LEU  18           HN       LEU  18  -1.377   3.733  -7.512
  128    HA   LEU  18           HA       LEU  18  -2.670   1.517  -8.759
  129   1HB   LEU  18           HB2      LEU  18  -3.096   3.046  -6.199
  130   2HB   LEU  18           HB1      LEU  18  -4.204   1.756  -6.644
  131    HG   LEU  18           HG       LEU  18  -1.213   1.296  -6.586
  132   1HD1  LEU  18          HD11      LEU  18  -2.061   2.143  -4.352
  133   2HD1  LEU  18          HD13      LEU  18  -3.150   0.763  -4.314
  134   3HD1  LEU  18          HD12      LEU  18  -1.404   0.513  -4.306
  135   1HD2  LEU  18          HD22      LEU  18  -3.658  -0.491  -6.373
  136   2HD2  LEU  18          HD21      LEU  18  -2.505  -0.456  -7.701
  137   3HD2  LEU  18          HD23      LEU  18  -2.015  -1.056  -6.121
  138    H    LYS  19           HN       LYS  19  -3.777   4.820  -8.103
  139    HA   LYS  19           HA       LYS  19  -6.485   4.482  -8.952
  140   1HB   LYS  19           HB2      LYS  19  -4.608   6.816  -8.680
  141   2HB   LYS  19           HB1      LYS  19  -6.114   7.063  -9.555
  142   1HG   LYS  19           HG2      LYS  19  -7.348   6.145  -7.578
  143   2HG   LYS  19           HG1      LYS  19  -5.818   6.084  -6.703
  144   1HD   LYS  19           HD2      LYS  19  -6.566   8.186  -6.040
  145   2HD   LYS  19           HD1      LYS  19  -5.652   8.634  -7.480
  146   1HE   LYS  19           HE2      LYS  19  -7.804   9.739  -7.562
  147   2HE   LYS  19           HE1      LYS  19  -7.796   8.476  -8.791
  148   1HZ   LYS  19           HZ1      LYS  19  -8.830   7.991  -6.065
  149   2HZ   LYS  19           HZ3      LYS  19  -9.816   8.623  -7.290
  150   3HZ   LYS  19           HZ2      LYS  19  -9.112   7.090  -7.478
  151    H    LYS  20           HN       LYS  20  -3.540   4.625 -10.699
  152    HA   LYS  20           HA       LYS  20  -4.302   5.732 -13.122
  153   1HB   LYS  20           HB2      LYS  20  -1.994   4.950 -12.620
  154   2HB   LYS  20           HB1      LYS  20  -2.544   3.283 -12.782
  155   1HG   LYS  20           HG2      LYS  20  -2.605   3.378 -15.079
  156   2HG   LYS  20           HG1      LYS  20  -3.213   5.029 -15.105
  157   1HD   LYS  20           HD2      LYS  20  -0.368   4.537 -14.233
  158   2HD   LYS  20           HD1      LYS  20  -0.759   4.499 -15.951
  159   1HE   LYS  20           HE2      LYS  20  -1.682   6.752 -15.841
  160   2HE   LYS  20           HE1      LYS  20  -1.441   6.798 -14.095
  161   1HZ   LYS  20           HZ1      LYS  20   0.950   6.092 -15.466
  162   2HZ   LYS  20           HZ3      LYS  20   0.351   7.580 -16.016
  163   3HZ   LYS  20           HZ2      LYS  20   0.674   7.354 -14.362
  164    H    ARG  21           HN       ARG  21  -5.096   2.553 -11.872
  165    HA   ARG  21           HA       ARG  21  -6.548   1.916 -14.387
  166   1HB   ARG  21           HB2      ARG  21  -6.215   0.340 -11.809
  167   2HB   ARG  21           HB1      ARG  21  -6.964  -0.252 -13.293
  168   1HG   ARG  21           HG2      ARG  21  -4.576   0.579 -14.300
  169   2HG   ARG  21           HG1      ARG  21  -4.071   0.178 -12.665
  170   1HD   ARG  21           HD2      ARG  21  -5.071  -1.610 -14.842
  171   2HD   ARG  21           HD1      ARG  21  -3.780  -1.894 -13.678
  172    HE   ARG  21           HE       ARG  21  -6.438  -2.847 -13.448
  173   1HH1  ARG  21          HH21      ARG  21  -4.120  -1.133 -11.559
  174   2HH1  ARG  21          HH22      ARG  21  -4.917  -1.454 -10.058
  175   1HH2  ARG  21          HH11      ARG  21  -7.468  -3.304 -11.519
  176   2HH2  ARG  21          HH12      ARG  21  -6.814  -2.702 -10.034
  177    H    LYS  22           HN       LYS  22  -7.765   0.929 -11.282
  178    HA   LYS  22           HA       LYS  22  -9.612   3.178 -11.094
  179   1HB   LYS  22           HB2      LYS  22 -11.643   1.637 -11.162
  180   2HB   LYS  22           HB1      LYS  22 -10.869   1.918 -12.722
  181   1HG   LYS  22           HG2      LYS  22  -9.794  -0.209 -12.687
  182   2HG   LYS  22           HG1      LYS  22 -10.154  -0.446 -10.977
  183   1HD   LYS  22           HD2      LYS  22 -12.539  -0.621 -11.462
  184   2HD   LYS  22           HD1      LYS  22 -12.247  -0.263 -13.165
  185   1HE   LYS  22           HE2      LYS  22 -11.185  -2.670 -11.656
  186   2HE   LYS  22           HE1      LYS  22 -12.504  -2.687 -12.828
  187   1HZ   LYS  22           HZ2      LYS  22 -10.411  -1.408 -14.075
  188   2HZ   LYS  22           HZ1      LYS  22  -9.701  -2.730 -13.281
  189   3HZ   LYS  22           HZ3      LYS  22 -10.968  -2.984 -14.381
  190    H    LEU  23           HN       LEU  23  -7.802   2.594  -9.229
  191    HA   LEU  23           HA       LEU  23  -9.350   1.150  -7.083
  192   1HB   LEU  23           HB2      LEU  23  -6.343   1.311  -7.279
  193   2HB   LEU  23           HB1      LEU  23  -7.280   0.320  -6.178
  194    HG   LEU  23           HG       LEU  23  -7.333  -0.002  -9.195
  195   1HD1  LEU  23          HD12      LEU  23  -5.689  -1.361  -7.049
  196   2HD1  LEU  23          HD11      LEU  23  -5.957  -2.081  -8.635
  197   3HD1  LEU  23          HD13      LEU  23  -5.108  -0.544  -8.500
  198   1HD2  LEU  23          HD22      LEU  23  -8.327  -1.703  -6.881
  199   2HD2  LEU  23          HD21      LEU  23  -9.320  -0.906  -8.098
  200   3HD2  LEU  23          HD23      LEU  23  -8.277  -2.248  -8.555
  201    H    SER  24           HN       SER  24  -9.418   2.110  -5.088
  202    HA   SER  24           HA       SER  24  -7.765   4.490  -4.531
  203   1HB   SER  24           HB2      SER  24  -9.906   5.721  -3.790
  204   2HB   SER  24           HB1      SER  24  -9.588   5.643  -5.521
  205    HG   SER  24           HG       SER  24 -10.963   3.739  -5.507
  206    H    LEU  25           HN       LEU  25  -7.012   4.166  -2.510
  207    HA   LEU  25           HA       LEU  25  -7.503   2.119  -0.795
  208   1HB   LEU  25           HB2      LEU  25  -7.141   4.968   0.161
  209   2HB   LEU  25           HB1      LEU  25  -6.769   3.510   1.082
  210    HG   LEU  25           HG       LEU  25  -5.445   4.184  -1.566
  211   1HD1  LEU  25          HD12      LEU  25  -4.970   5.925   0.138
  212   2HD1  LEU  25          HD11      LEU  25  -4.443   4.668   1.259
  213   3HD1  LEU  25          HD13      LEU  25  -3.535   4.962  -0.222
  214   1HD2  LEU  25          HD23      LEU  25  -4.950   2.150   0.636
  215   2HD2  LEU  25          HD22      LEU  25  -5.210   1.851  -1.083
  216   3HD2  LEU  25          HD21      LEU  25  -3.706   2.584  -0.536
  217    H    SER  26           HN       SER  26  -9.406   5.141  -0.710
  218    HA   SER  26           HA       SER  26 -11.127   4.394   1.415
  219   1HB   SER  26           HB2      SER  26 -11.912   6.075  -0.979
  220   2HB   SER  26           HB1      SER  26 -12.638   6.109   0.625
  221    HG   SER  26           HG       SER  26 -10.104   6.470   1.034
  222    H    ALA  27           HN       ALA  27 -11.285   3.613  -2.029
  223    HA   ALA  27           HA       ALA  27 -13.918   2.358  -1.798
  224   1HB   ALA  27           HB2      ALA  27 -11.826   2.297  -3.993
  225   2HB   ALA  27           HB1      ALA  27 -13.425   1.564  -4.127
  226   3HB   ALA  27           HB3      ALA  27 -13.267   3.311  -3.941
  227    H    LEU  28           HN       LEU  28 -10.566   1.166  -2.213
  228    HA   LEU  28           HA       LEU  28 -11.230  -1.598  -2.194
  229   1HB   LEU  28           HB2      LEU  28  -8.747  -0.040  -1.490
  230   2HB   LEU  28           HB1      LEU  28  -8.806  -1.778  -1.198
  231    HG   LEU  28           HG       LEU  28  -9.307  -2.206  -3.532
  232   1HD1  LEU  28          HD13      LEU  28  -9.331   0.813  -3.766
  233   2HD1  LEU  28          HD12      LEU  28  -9.265  -0.273  -5.152
  234   3HD1  LEU  28          HD11      LEU  28 -10.665  -0.292  -4.091
  235   1HD2  LEU  28          HD22      LEU  28  -7.017  -0.236  -3.223
  236   2HD2  LEU  28          HD21      LEU  28  -6.932  -1.974  -2.928
  237   3HD2  LEU  28          HD23      LEU  28  -7.209  -1.370  -4.561
  238    H    SER  29           HN       SER  29 -10.621   0.677   0.451
  239    HA   SER  29           HA       SER  29 -10.630  -1.283   2.544
  240   1HB   SER  29           HB2      SER  29 -10.698   0.531   4.014
  241   2HB   SER  29           HB1      SER  29 -10.083   1.319   2.563
  242    HG   SER  29           HG       SER  29 -11.850   2.445   2.497
  243    H    ARG  30           HN       ARG  30 -13.148   0.598   0.940
  244    HA   ARG  30           HA       ARG  30 -15.338  -0.325   2.569
  245   1HB   ARG  30           HB2      ARG  30 -15.287   1.771   1.140
  246   2HB   ARG  30           HB1      ARG  30 -15.446   0.728  -0.269
  247   1HG   ARG  30           HG2      ARG  30 -17.665   1.397   0.230
  248   2HG   ARG  30           HG1      ARG  30 -17.537  -0.239   0.870
  249   1HD   ARG  30           HD2      ARG  30 -17.413   0.521   3.106
  250   2HD   ARG  30           HD1      ARG  30 -16.986   2.162   2.618
  251    HE   ARG  30           HE       ARG  30 -19.483   1.847   1.529
  252   1HH1  ARG  30          HH21      ARG  30 -18.097   1.237   4.629
  253   2HH1  ARG  30          HH22      ARG  30 -19.537   1.649   5.499
  254   1HH2  ARG  30          HH11      ARG  30 -21.365   2.378   2.634
  255   2HH2  ARG  30          HH12      ARG  30 -21.391   2.316   4.364
  256    H    GLN  31           HN       GLN  31 -13.757  -1.588  -0.304
  257    HA   GLN  31           HA       GLN  31 -15.890  -3.355  -1.080
  258   1HB   GLN  31           HB2      GLN  31 -12.946  -3.190  -1.675
  259   2HB   GLN  31           HB1      GLN  31 -13.877  -4.581  -2.223
  260   1HG   GLN  31           HG2      GLN  31 -15.451  -3.089  -3.385
  261   2HG   GLN  31           HG1      GLN  31 -14.545  -1.686  -2.816
  262   1HE2  GLN  31          HE22      GLN  31 -11.938  -2.057  -5.181
  263   2HE2  GLN  31          HE21      GLN  31 -12.427  -1.297  -3.746
  264    H    PHE  32           HN       PHE  32 -13.252  -3.716   1.265
  265    HA   PHE  32           HA       PHE  32 -14.062  -6.572   1.698
  266   1HB   PHE  32           HB2      PHE  32 -11.618  -4.997   2.565
  267   2HB   PHE  32           HB1      PHE  32 -11.981  -6.624   3.149
  268    HD1  PHE  32           HD1      PHE  32 -11.356  -4.614   0.071
  269    HD2  PHE  32           HD2      PHE  32 -11.596  -8.556   1.796
  270    HE1  PHE  32           HE1      PHE  32 -10.439  -5.587  -2.025
  271    HE2  PHE  32           HE2      PHE  32 -10.675  -9.528  -0.297
  272    HZ   PHE  32           HZ       PHE  32 -10.097  -8.044  -2.211
  273    H    GLY  33           HN       GLY  33 -14.194  -3.408   3.145
  274   1HA   GLY  33           HA2      GLY  33 -16.086  -3.153   4.769
  275   2HA   GLY  33           HA1      GLY  33 -15.491  -4.603   5.569
  276    H    TYR  34           HN       TYR  34 -12.793  -4.131   5.757
  277    HA   TYR  34           HA       TYR  34 -12.441  -2.701   8.069
  278   1HB   TYR  34           HB2      TYR  34 -10.370  -2.536   5.883
  279   2HB   TYR  34           HB1      TYR  34 -10.115  -2.617   7.625
  280    HD1  TYR  34           HD2      TYR  34 -11.705  -4.811   8.607
  281    HD2  TYR  34           HD1      TYR  34  -9.604  -4.484   4.857
  282    HE1  TYR  34           HE2      TYR  34 -11.574  -7.286   8.459
  283    HE2  TYR  34           HE1      TYR  34  -9.483  -6.954   4.715
  284    HH   TYR  34           HH       TYR  34 -11.130  -9.034   7.045
  285    H    ALA  35           HN       ALA  35 -12.960  -0.645   8.599
  286    HA   ALA  35           HA       ALA  35 -13.813   1.411   7.019
  287   1HB   ALA  35           HB3      ALA  35 -12.596   1.231   9.686
  288   2HB   ALA  35           HB2      ALA  35 -12.343   2.809   8.947
  289   3HB   ALA  35           HB1      ALA  35 -13.979   2.189   9.165
  290    HA   PRO  36           HA       PRO  36 -10.566   2.966   4.490
  291   1HB   PRO  36           HB2      PRO  36 -10.777   5.764   5.189
  292   2HB   PRO  36           HB1      PRO  36 -11.462   4.952   3.776
  293   1HG   PRO  36           HG2      PRO  36 -12.857   5.901   6.156
  294   2HG   PRO  36           HG1      PRO  36 -13.552   5.228   4.675
  295   1HD   PRO  36           HD2      PRO  36 -13.409   3.950   7.233
  296   2HD   PRO  36           HD1      PRO  36 -13.938   3.225   5.700
  297    H    THR  37           HN       THR  37 -10.660   3.983   7.861
  298    HA   THR  37           HA       THR  37  -8.005   5.058   7.964
  299    HB   THR  37           HB       THR  37  -8.204   4.934  10.356
  300    HG1  THR  37           HG1      THR  37  -9.972   3.714  11.240
  301   1HG2  THR  37          HG21      THR  37 -10.940   5.385   9.127
  302   2HG2  THR  37          HG23      THR  37 -10.424   5.956  10.713
  303   3HG2  THR  37          HG22      THR  37  -9.658   6.590   9.257
  304    H    THR  38           HN       THR  38  -9.252   1.783   8.670
  305    HA   THR  38           HA       THR  38  -6.804   0.642   9.510
  306    HB   THR  38           HB       THR  38  -9.148  -0.542   8.009
  307    HG1  THR  38           HG1      THR  38  -8.220  -0.566  10.682
  308   1HG2  THR  38          HG23      THR  38  -6.564  -1.804   8.889
  309   2HG2  THR  38          HG22      THR  38  -8.054  -2.746   8.932
  310   3HG2  THR  38          HG21      THR  38  -7.480  -2.070   7.406
  311    H    LEU  39           HN       LEU  39  -8.197   0.318   6.246
  312    HA   LEU  39           HA       LEU  39  -5.992  -0.767   4.959
  313   1HB   LEU  39           HB2      LEU  39  -8.288  -0.345   4.000
  314   2HB   LEU  39           HB1      LEU  39  -7.810   1.332   3.768
  315    HG   LEU  39           HG       LEU  39  -5.822   0.436   2.429
  316   1HD1  LEU  39          HD12      LEU  39  -7.481  -2.084   2.710
  317   2HD1  LEU  39          HD11      LEU  39  -6.393  -1.839   1.347
  318   3HD1  LEU  39          HD13      LEU  39  -5.749  -1.891   2.983
  319   1HD2  LEU  39          HD23      LEU  39  -7.819   1.474   1.435
  320   2HD2  LEU  39          HD22      LEU  39  -7.174   0.193   0.411
  321   3HD2  LEU  39          HD21      LEU  39  -8.609  -0.101   1.389
  322    H    ALA  40           HN       ALA  40  -6.745   2.746   4.898
  323    HA   ALA  40           HA       ALA  40  -4.299   3.583   3.768
  324   1HB   ALA  40           HB1      ALA  40  -6.325   5.017   4.102
  325   2HB   ALA  40           HB3      ALA  40  -5.932   5.104   5.819
  326   3HB   ALA  40           HB2      ALA  40  -4.831   5.792   4.625
  327    H    ASN  41           HN       ASN  41  -5.159   3.566   7.232
  328    HA   ASN  41           HA       ASN  41  -2.652   4.351   8.244
  329   1HB   ASN  41           HB2      ASN  41  -4.808   4.137   9.539
  330   2HB   ASN  41           HB1      ASN  41  -4.526   2.394   9.595
  331   1HD2  ASN  41          HD22      ASN  41  -2.955   3.362  12.695
  332   2HD2  ASN  41          HD21      ASN  41  -4.453   2.902  12.044
  333    H    ALA  42           HN       ALA  42  -3.224   1.546   6.466
  334    HA   ALA  42           HA       ALA  42  -1.538  -0.270   7.982
  335   1HB   ALA  42           HB2      ALA  42  -3.262  -0.799   6.058
  336   2HB   ALA  42           HB1      ALA  42  -1.883  -0.511   4.994
  337   3HB   ALA  42           HB3      ALA  42  -1.808  -1.782   6.217
  338    H    LEU  43           HN       LEU  43  -0.861   2.515   6.264
  339    HA   LEU  43           HA       LEU  43   1.749   1.676   5.209
  340   1HB   LEU  43           HB2      LEU  43   0.594   4.475   5.459
  341   2HB   LEU  43           HB1      LEU  43   1.967   3.994   4.463
  342    HG   LEU  43           HG       LEU  43  -0.748   2.730   4.074
  343   1HD1  LEU  43          HD11      LEU  43  -1.003   5.208   3.901
  344   2HD1  LEU  43          HD13      LEU  43   0.268   5.225   2.675
  345   3HD1  LEU  43          HD12      LEU  43  -1.254   4.390   2.360
  346   1HD2  LEU  43          HD22      LEU  43   1.656   3.183   2.275
  347   2HD2  LEU  43          HD21      LEU  43   1.166   1.648   2.985
  348   3HD2  LEU  43          HD23      LEU  43   0.151   2.419   1.766
  349    H    GLU  44           HN       GLU  44   0.671   2.288   8.276
  350    HA   GLU  44           HA       GLU  44   3.328   3.428   9.116
  351   1HB   GLU  44           HB2      GLU  44   0.582   3.962  10.279
  352   2HB   GLU  44           HB1      GLU  44   2.097   4.470  11.030
  353   1HG   GLU  44           HG2      GLU  44   2.668   5.707   8.934
  354   2HG   GLU  44           HG1      GLU  44   1.084   5.284   8.289
  355    H    ARG  45           HN       ARG  45   0.528   1.860  10.740
  356    HA   ARG  45           HA       ARG  45   2.291   0.643  12.671
  357   1HB   ARG  45           HB2      ARG  45   0.286  -0.549  13.454
  358   2HB   ARG  45           HB1      ARG  45  -0.084   1.152  13.168
  359   1HG   ARG  45           HG2      ARG  45  -0.990   0.562  10.934
  360   2HG   ARG  45           HG1      ARG  45  -0.670  -1.138  11.265
  361   1HD   ARG  45           HD2      ARG  45  -2.155  -0.999  13.261
  362   2HD   ARG  45           HD1      ARG  45  -2.538   0.668  12.824
  363    HE   ARG  45           HE       ARG  45  -3.139  -0.755  10.528
  364   1HH1  ARG  45          HH21      ARG  45  -3.910  -1.042  13.871
  365   2HH1  ARG  45          HH22      ARG  45  -5.492  -1.687  13.592
  366   1HH2  ARG  45          HH11      ARG  45  -5.221  -1.617  10.151
  367   2HH2  ARG  45          HH12      ARG  45  -6.240  -1.987  11.500
  368    H    HIS  46           HN       HIS  46   2.801  -1.602  12.889
  369    HA   HIS  46           HA       HIS  46   3.497  -2.901  10.414
  370   1HB   HIS  46           HB2      HIS  46   4.697  -3.204  12.611
  371   2HB   HIS  46           HB1      HIS  46   3.311  -4.152  13.163
  372    HD1  HIS  46           HD1      HIS  46   5.492  -4.139  10.014
  373    HD2  HIS  46           HD2      HIS  46   3.740  -6.810  12.692
  374    HE1  HIS  46           HE1      HIS  46   6.165  -6.461   9.253
  375    H    TRP  47           HN       TRP  47   1.999  -3.789   9.106
  376    HA   TRP  47           HA       TRP  47   0.252  -5.897  10.052
  377   1HB   TRP  47           HB2      TRP  47  -1.065  -3.877  10.733
  378   2HB   TRP  47           HB1      TRP  47  -1.036  -3.330   9.057
  379    HD1  TRP  47           HD1      TRP  47  -1.771  -6.875  10.477
  380    HE1  TRP  47           HE1      TRP  47  -4.025  -7.653   9.521
  381    HE3  TRP  47           HE3      TRP  47  -3.125  -2.676   7.895
  382    HZ2  TRP  47           HZ2      TRP  47  -6.142  -6.642   7.875
  383    HZ3  TRP  47           HZ3      TRP  47  -5.271  -2.609   6.643
  384    HH2  TRP  47           HH2      TRP  47  -6.781  -4.583   6.637
  385    HA   PRO  48           HA       PRO  48   1.905  -5.763   5.662
  386   1HB   PRO  48           HB2      PRO  48   2.353  -8.639   6.040
  387   2HB   PRO  48           HB1      PRO  48   3.525  -7.374   5.634
  388   1HG   PRO  48           HG2      PRO  48   3.311  -8.672   8.136
  389   2HG   PRO  48           HG1      PRO  48   4.211  -7.180   7.818
  390   1HD   PRO  48           HD2      PRO  48   1.674  -7.514   9.268
  391   2HD   PRO  48           HD1      PRO  48   2.738  -6.087   9.201
  392    H    LYS  49           HN       LYS  49  -0.583  -7.567   7.297
  393    HA   LYS  49           HA       LYS  49  -1.559  -8.959   4.962
  394   1HB   LYS  49           HB2      LYS  49  -2.137  -9.638   7.274
  395   2HB   LYS  49           HB1      LYS  49  -3.039  -8.143   7.484
  396   1HG   LYS  49           HG2      LYS  49  -4.732  -9.656   6.914
  397   2HG   LYS  49           HG1      LYS  49  -4.360  -8.939   5.353
  398   1HD   LYS  49           HD2      LYS  49  -2.897 -10.842   4.811
  399   2HD   LYS  49           HD1      LYS  49  -3.204 -11.542   6.400
  400   1HE   LYS  49           HE2      LYS  49  -4.608 -12.539   4.570
  401   2HE   LYS  49           HE1      LYS  49  -5.550 -11.837   5.883
  402   1HZ   LYS  49           HZ2      LYS  49  -4.924  -9.944   3.828
  403   2HZ   LYS  49           HZ1      LYS  49  -5.821 -11.262   3.238
  404   3HZ   LYS  49           HZ3      LYS  49  -6.426 -10.331   4.520
  405    H    GLY  50           HN       GLY  50  -1.952  -5.700   6.211
  406   1HA   GLY  50           HA2      GLY  50  -4.248  -5.028   4.550
  407   2HA   GLY  50           HA1      GLY  50  -3.175  -3.866   5.343
  408    H    GLU  51           HN       GLU  51  -0.793  -5.202   4.148
  409    HA   GLU  51           HA       GLU  51  -0.663  -3.624   1.725
  410   1HB   GLU  51           HB2      GLU  51   1.208  -5.867   2.518
  411   2HB   GLU  51           HB1      GLU  51   1.571  -4.471   1.504
  412   1HG   GLU  51           HG2      GLU  51   0.765  -4.204   4.409
  413   2HG   GLU  51           HG1      GLU  51   2.440  -4.342   3.887
  414    H    GLN  52           HN       GLN  52  -1.339  -6.968   2.534
  415    HA   GLN  52           HA       GLN  52  -1.108  -8.085  -0.083
  416   1HB   GLN  52           HB2      GLN  52  -2.917  -8.834   2.236
  417   2HB   GLN  52           HB1      GLN  52  -2.726  -9.813   0.785
  418   1HG   GLN  52           HG2      GLN  52  -0.273  -8.979   2.331
  419   2HG   GLN  52           HG1      GLN  52  -1.254 -10.319   2.920
  420   1HE2  GLN  52          HE22      GLN  52   0.703 -10.784  -0.677
  421   2HE2  GLN  52          HE21      GLN  52   0.302  -9.219  -0.157
  422    H    ILE  53           HN       ILE  53  -3.748  -6.415   1.602
  423    HA   ILE  53           HA       ILE  53  -5.818  -6.822  -0.294
  424    HB   ILE  53           HB       ILE  53  -5.292  -4.272   1.272
  425   1HG1  ILE  53          HG12      ILE  53  -6.758  -6.796   2.107
  426   2HG1  ILE  53          HG11      ILE  53  -5.187  -6.278   2.718
  427   1HG2  ILE  53          HG22      ILE  53  -7.123  -4.361  -0.550
  428   2HG2  ILE  53          HG21      ILE  53  -7.958  -5.481   0.522
  429   3HG2  ILE  53          HG23      ILE  53  -7.615  -3.838   1.057
  430   1HD1  ILE  53          HD12      ILE  53  -6.326  -4.117   3.449
  431   2HD1  ILE  53          HD11      ILE  53  -7.861  -4.911   3.100
  432   3HD1  ILE  53          HD13      ILE  53  -6.796  -5.562   4.341
  433    H    ILE  54           HN       ILE  54  -3.528  -4.097  -0.051
  434    HA   ILE  54           HA       ILE  54  -4.309  -2.848  -2.495
  435    HB   ILE  54           HB       ILE  54  -1.760  -2.726  -0.871
  436   1HG1  ILE  54          HG12      ILE  54  -4.027  -0.741  -1.230
  437   2HG1  ILE  54          HG11      ILE  54  -3.930  -1.883   0.112
  438   1HG2  ILE  54          HG22      ILE  54  -2.595  -1.257  -3.369
  439   2HG2  ILE  54          HG21      ILE  54  -1.475  -0.527  -2.221
  440   3HG2  ILE  54          HG23      ILE  54  -1.058  -2.039  -3.020
  441   1HD1  ILE  54          HD12      ILE  54  -1.451  -0.768   0.310
  442   2HD1  ILE  54          HD11      ILE  54  -2.331   0.595  -0.380
  443   3HD1  ILE  54          HD13      ILE  54  -2.858  -0.112   1.141
  444    H    ALA  55           HN       ALA  55  -1.353  -4.773  -1.821
  445    HA   ALA  55           HA       ALA  55  -0.424  -4.828  -4.481
  446   1HB   ALA  55           HB2      ALA  55   0.690  -5.667  -2.283
  447   2HB   ALA  55           HB1      ALA  55  -0.098  -7.201  -2.649
  448   3HB   ALA  55           HB3      ALA  55   1.061  -6.511  -3.785
  449    H    ASN  56           HN       ASN  56  -2.789  -6.904  -2.862
  450    HA   ASN  56           HA       ASN  56  -3.023  -8.920  -4.825
  451   1HB   ASN  56           HB2      ASN  56  -4.965  -7.706  -2.863
  452   2HB   ASN  56           HB1      ASN  56  -5.531  -8.901  -4.024
  453   1HD2  ASN  56          HD22      ASN  56  -4.522 -10.964  -1.179
  454   2HD2  ASN  56          HD21      ASN  56  -5.805  -9.950  -1.634
  455    H    ALA  57           HN       ALA  57  -4.419  -5.676  -4.728
  456    HA   ALA  57           HA       ALA  57  -6.186  -5.957  -6.934
  457   1HB   ALA  57           HB2      ALA  57  -5.959  -4.029  -5.243
  458   2HB   ALA  57           HB1      ALA  57  -4.690  -3.421  -6.305
  459   3HB   ALA  57           HB3      ALA  57  -6.338  -3.604  -6.911
  460    H    LEU  58           HN       LEU  58  -2.709  -5.219  -6.859
  461    HA   LEU  58           HA       LEU  58  -2.681  -4.776  -9.779
  462   1HB   LEU  58           HB2      LEU  58  -0.520  -4.818  -7.666
  463   2HB   LEU  58           HB1      LEU  58  -0.187  -4.571  -9.372
  464    HG   LEU  58           HG       LEU  58  -2.187  -2.837  -7.913
  465   1HD1  LEU  58          HD11      LEU  58   0.823  -2.539  -8.046
  466   2HD1  LEU  58          HD13      LEU  58  -0.258  -1.206  -7.642
  467   3HD1  LEU  58          HD12      LEU  58  -0.181  -2.625  -6.599
  468   1HD2  LEU  58          HD21      LEU  58  -0.484  -2.535 -10.413
  469   2HD2  LEU  58          HD23      LEU  58  -2.242  -2.568 -10.312
  470   3HD2  LEU  58          HD22      LEU  58  -1.352  -1.189  -9.680
  471    H    GLU  59           HN       GLU  59  -3.113  -7.481  -8.136
  472    HA   GLU  59           HA       GLU  59  -2.597  -9.732  -8.511
  473   1HB   GLU  59           HB2      GLU  59  -3.111  -8.586 -10.930
  474   2HB   GLU  59           HB1      GLU  59  -1.480  -9.177 -11.224
  475   1HG   GLU  59           HG2      GLU  59  -3.747 -10.883 -10.138
  476   2HG   GLU  59           HG1      GLU  59  -3.275 -10.817 -11.827
  477    H    THR  60           HN       THR  60  -0.402  -7.600  -7.779
  478    HA   THR  60           HA       THR  60   1.967  -9.343  -8.397
  479    HB   THR  60           HB       THR  60   1.942  -6.869  -9.159
  480    HG1  THR  60           HG1      THR  60   3.869  -7.767  -9.232
  481   1HG2  THR  60          HG23      THR  60   1.108  -6.190  -6.754
  482   2HG2  THR  60          HG22      THR  60   2.818  -6.290  -6.339
  483   3HG2  THR  60          HG21      THR  60   2.279  -5.166  -7.585
  484    H    LYS  61           HN       LYS  61   3.712  -8.600  -6.507
  485    HA   LYS  61           HA       LYS  61   2.412  -9.538  -3.999
  486   1HB   LYS  61           HB2      LYS  61   5.400  -9.390  -4.427
  487   2HB   LYS  61           HB1      LYS  61   4.487 -10.486  -3.393
  488   1HG   LYS  61           HG2      LYS  61   4.844 -11.987  -5.097
  489   2HG   LYS  61           HG1      LYS  61   3.465 -11.187  -5.839
  490   1HD   LYS  61           HD2      LYS  61   5.127  -9.574  -6.901
  491   2HD   LYS  61           HD1      LYS  61   6.402 -10.650  -6.337
  492   1HE   LYS  61           HE2      LYS  61   5.808 -11.198  -8.645
  493   2HE   LYS  61           HE1      LYS  61   5.347 -12.519  -7.572
  494   1HZ   LYS  61           HZ2      LYS  61   3.338 -10.469  -7.973
  495   2HZ   LYS  61           HZ1      LYS  61   3.699 -11.407  -9.343
  496   3HZ   LYS  61           HZ3      LYS  61   3.170 -12.159  -7.917
  497    HA   PRO  62           HA       PRO  62   3.026  -5.496  -2.229
  498   1HB   PRO  62           HB2      PRO  62   3.851  -6.337   0.378
  499   2HB   PRO  62           HB1      PRO  62   2.205  -5.949  -0.139
  500   1HG   PRO  62           HG2      PRO  62   3.400  -8.599   0.360
  501   2HG   PRO  62           HG1      PRO  62   1.692  -8.160   0.215
  502   1HD   PRO  62           HD2      PRO  62   3.204  -9.549  -1.729
  503   2HD   PRO  62           HD1      PRO  62   1.623  -8.784  -1.992
  504    H    GLU  63           HN       GLU  63   5.469  -7.976  -2.056
  505    HA   GLU  63           HA       GLU  63   7.671  -6.461  -1.078
  506   1HB   GLU  63           HB2      GLU  63   7.868  -8.649  -3.158
  507   2HB   GLU  63           HB1      GLU  63   9.058  -8.204  -1.934
  508   1HG   GLU  63           HG2      GLU  63   7.460  -8.888  -0.162
  509   2HG   GLU  63           HG1      GLU  63   6.325  -9.407  -1.407
  510    H    VAL  64           HN       VAL  64   5.911  -6.019  -3.929
  511    HA   VAL  64           HA       VAL  64   8.211  -5.022  -5.510
  512    HB   VAL  64           HB       VAL  64   5.244  -4.957  -6.146
  513   1HG1  VAL  64          HG12      VAL  64   6.695  -3.365  -7.427
  514   2HG1  VAL  64          HG11      VAL  64   7.662  -4.736  -7.967
  515   3HG1  VAL  64          HG13      VAL  64   5.971  -4.607  -8.444
  516   1HG2  VAL  64          HG22      VAL  64   7.397  -6.997  -6.797
  517   2HG2  VAL  64          HG21      VAL  64   5.915  -7.266  -5.878
  518   3HG2  VAL  64          HG23      VAL  64   5.835  -6.936  -7.610
  519    H    ILE  65           HN       ILE  65   5.479  -3.781  -3.623
  520    HA   ILE  65           HA       ILE  65   6.022  -1.003  -4.459
  521    HB   ILE  65           HB       ILE  65   4.100  -2.145  -2.411
  522   1HG1  ILE  65          HG12      ILE  65   2.516  -1.034  -4.294
  523   2HG1  ILE  65          HG11      ILE  65   3.909  -1.377  -5.317
  524   1HG2  ILE  65          HG23      ILE  65   4.539   0.702  -3.350
  525   2HG2  ILE  65          HG22      ILE  65   3.128   0.179  -2.431
  526   3HG2  ILE  65          HG21      ILE  65   4.730   0.089  -1.709
  527   1HD1  ILE  65          HD13      ILE  65   2.471  -3.405  -3.571
  528   2HD1  ILE  65          HD12      ILE  65   2.292  -3.255  -5.318
  529   3HD1  ILE  65          HD11      ILE  65   3.837  -3.750  -4.629
  530    H    TRP  66           HN       TRP  66   7.013  -3.215  -2.005
  531    HA   TRP  66           HA       TRP  66   8.598  -1.041  -0.683
  532   1HB   TRP  66           HB2      TRP  66   7.069  -3.265   0.709
  533   2HB   TRP  66           HB1      TRP  66   8.229  -2.199   1.493
  534    HD1  TRP  66           HD1      TRP  66   7.642   0.394   1.637
  535    HE1  TRP  66           HE1      TRP  66   5.371   1.619   1.656
  536    HE3  TRP  66           HE3      TRP  66   4.622  -3.340  -0.124
  537    HZ2  TRP  66           HZ2      TRP  66   2.630   1.087   1.009
  538    HZ3  TRP  66           HZ3      TRP  66   2.182  -2.958  -0.410
  539    HH2  TRP  66           HH2      TRP  66   1.183  -0.749   0.154
  540    HA   PRO  67           HA       PRO  67  11.079  -4.730  -2.095
  541   1HB   PRO  67           HB2      PRO  67  13.062  -3.129  -3.319
  542   2HB   PRO  67           HB1      PRO  67  11.720  -3.939  -4.145
  543   1HG   PRO  67           HG2      PRO  67  12.062  -1.068  -3.577
  544   2HG   PRO  67           HG1      PRO  67  10.920  -1.847  -4.677
  545   1HD   PRO  67           HD2      PRO  67  10.342  -0.725  -2.108
  546   2HD   PRO  67           HD1      PRO  67   9.228  -1.635  -3.151
  547    H    SER  68           HN       SER  68  13.004  -1.765  -1.422
  548    HA   SER  68           HA       SER  68  15.040  -3.133  -0.002
  549   1HB   SER  68           HB2      SER  68  14.278  -0.274   0.534
  550   2HB   SER  68           HB1      SER  68  15.878  -0.999   0.618
  551    HG   SER  68           HG       SER  68  15.918  -1.142  -1.579
  552    H    ARG  69           HN       ARG  69  11.952  -3.100   1.022
  553    HA   ARG  69           HA       ARG  69  12.584  -2.621   3.905
  554   1HB   ARG  69           HB2      ARG  69   9.940  -3.202   2.553
  555   2HB   ARG  69           HB1      ARG  69  10.154  -2.776   4.250
  556   1HG   ARG  69           HG2      ARG  69  10.914  -1.017   1.895
  557   2HG   ARG  69           HG1      ARG  69   9.487  -0.798   2.909
  558   1HD   ARG  69           HD2      ARG  69  10.954   0.654   3.982
  559   2HD   ARG  69           HD1      ARG  69  11.323  -0.829   4.864
  560    HE   ARG  69           HE       ARG  69  13.039  -0.876   2.676
  561   1HH1  ARG  69          HH21      ARG  69  12.290   1.288   5.258
  562   2HH1  ARG  69          HH22      ARG  69  13.878   1.977   5.306
  563   1HH2  ARG  69          HH11      ARG  69  15.097   0.013   2.723
  564   2HH2  ARG  69          HH12      ARG  69  15.470   1.249   3.877
  565    H    TYR  70           HN       TYR  70  12.017  -5.190   1.622
  566    HA   TYR  70           HA       TYR  70  11.706  -7.182   3.850
  567   1HB   TYR  70           HB2      TYR  70  11.082  -7.227   0.891
  568   2HB   TYR  70           HB1      TYR  70  11.281  -8.736   1.773
  569    HD1  TYR  70           HD2      TYR  70   9.839  -9.154   3.862
  570    HD2  TYR  70           HD1      TYR  70   9.097  -5.994   1.055
  571    HE1  TYR  70           HE2      TYR  70   7.512  -8.931   4.729
  572    HE2  TYR  70           HE1      TYR  70   6.775  -5.754   1.912
  573    HH   TYR  70           HH       TYR  70   5.326  -8.087   3.920
  574    H    GLN  71           HN       GLN  71  12.778  -9.412   2.687
  575    HA   GLN  71           HA       GLN  71  15.467  -8.823   1.665
  576   1HB   GLN  71           HB2      GLN  71  15.564  -8.529   4.192
  577   2HB   GLN  71           HB1      GLN  71  15.183 -10.244   4.320
  578   1HG   GLN  71           HG2      GLN  71  17.548 -10.173   4.397
  579   2HG   GLN  71           HG1      GLN  71  17.181 -10.626   2.733
  580   1HE2  GLN  71          HE22      GLN  71  18.891  -7.854   1.449
  581   2HE2  GLN  71          HE21      GLN  71  18.341  -9.446   1.235
  582    H    ALA  72           HN       ALA  72  14.194 -11.546   3.564
  583    HA   ALA  72           HA       ALA  72  14.062 -13.825   3.011
  584   1HB   ALA  72           HB2      ALA  72  12.129 -12.889   1.726
  585   2HB   ALA  72           HB1      ALA  72  13.192 -12.696   0.331
  586   3HB   ALA  72           HB3      ALA  72  12.839 -14.307   0.957
  587    H    GLY  73           HN       GLY  73  16.520 -13.777   3.091
  588   1HA   GLY  73           HA2      GLY  73  18.211 -13.448   0.881
  589   2HA   GLY  73           HA1      GLY  73  18.523 -14.611   2.170
  590    H    GLU  74           HN       GLU  74  19.018 -14.960  -0.712
  591    HA   GLU  74           HA       GLU  74  17.474 -17.482  -1.068
  592   1HB   GLU  74           HB2      GLU  74  16.322 -15.618  -2.318
  593   2HB   GLU  74           HB1      GLU  74  17.791 -15.427  -3.276
  594   1HG   GLU  74           HG2      GLU  74  17.617 -17.777  -4.013
  595   2HG   GLU  74           HG1      GLU  74  16.142 -17.965  -3.059
   
  No H/Q in entry =         595
  Start of MODEL          25
 Raw file had  612 H/Q atoms
  Start of MODEL   25
    1   1H    CYS   1           HT3      CYS   1   7.821   8.766  13.672
    2   2H    CYS   1           HT2      CYS   1   6.840   8.352  14.994
    3   3H    CYS   1           HT1      CYS   1   6.681   7.520  13.521
    4    HA   CYS   1           HA       CYS   1   4.887   8.953  13.463
    5   1HB   CYS   1           HB2      CYS   1   5.729  10.203  15.511
    6   2HB   CYS   1           HB1      CYS   1   6.693  11.191  14.412
    7    HG   CYS   1           HG       CYS   1   3.838  11.183  13.469
    8    H    SER   2           HN       SER   2   4.344  10.402  11.696
    9    HA   SER   2           HA       SER   2   4.656  11.113   9.477
   10   1HB   SER   2           HB2      SER   2   7.080  12.169  10.927
   11   2HB   SER   2           HB1      SER   2   6.857  12.466   9.205
   12    HG   SER   2           HG       SER   2   5.734  13.709  11.272
   13    H    ASN   3           HN       ASN   3   8.117  10.764   9.834
   14    HA   ASN   3           HA       ASN   3   9.620   9.395   8.658
   15   1HB   ASN   3           HB2      ASN   3   7.490   7.271   9.007
   16   2HB   ASN   3           HB1      ASN   3   9.233   7.034   8.864
   17   1HD2  ASN   3          HD22      ASN   3   9.860   8.254  12.238
   18   2HD2  ASN   3          HD21      ASN   3  10.518   8.345  10.676
   19    H    GLU   4           HN       GLU   4   6.993  10.579   7.316
   20    HA   GLU   4           HA       GLU   4   6.324   8.962   5.092
   21   1HB   GLU   4           HB2      GLU   4   5.786  11.178   3.967
   22   2HB   GLU   4           HB1      GLU   4   5.015  10.929   5.534
   23   1HG   GLU   4           HG2      GLU   4   6.599  12.336   6.644
   24   2HG   GLU   4           HG1      GLU   4   7.655  12.373   5.232
   25    H    LYS   5           HN       LYS   5   6.931  10.289   2.771
   26    HA   LYS   5           HA       LYS   5   8.605  10.256   1.122
   27   1HB   LYS   5           HB2      LYS   5  10.089  11.591   3.409
   28   2HB   LYS   5           HB1      LYS   5  10.626  11.596   1.731
   29   1HG   LYS   5           HG2      LYS   5   7.842  12.556   2.383
   30   2HG   LYS   5           HG1      LYS   5   9.210  13.626   2.673
   31   1HD   LYS   5           HD2      LYS   5   9.916  13.374   0.321
   32   2HD   LYS   5           HD1      LYS   5   8.548  12.304   0.023
   33   1HE   LYS   5           HE2      LYS   5   8.077  14.636  -0.692
   34   2HE   LYS   5           HE1      LYS   5   6.980  14.097   0.579
   35   1HZ   LYS   5           HZ1      LYS   5   9.287  15.212   1.744
   36   2HZ   LYS   5           HZ3      LYS   5   8.664  16.308   0.609
   37   3HZ   LYS   5           HZ2      LYS   5   7.676  15.736   1.868
   38    H    ALA   6           HN       ALA   6   8.377   7.818   2.516
   39    HA   ALA   6           HA       ALA   6  10.800   6.815   3.600
   40   1HB   ALA   6           HB3      ALA   6   8.537   5.667   3.616
   41   2HB   ALA   6           HB2      ALA   6   8.837   5.218   1.937
   42   3HB   ALA   6           HB1      ALA   6   9.897   4.619   3.213
   43    H    ARG   7           HN       ARG   7  11.335   4.554   1.900
   44    HA   ARG   7           HA       ARG   7  12.905   5.932  -0.243
   45   1HB   ARG   7           HB2      ARG   7  13.253   3.035   0.538
   46   2HB   ARG   7           HB1      ARG   7  14.451   4.172  -0.077
   47   1HG   ARG   7           HG2      ARG   7  13.193   4.195   2.678
   48   2HG   ARG   7           HG1      ARG   7  14.847   3.725   2.296
   49   1HD   ARG   7           HD2      ARG   7  14.757   6.228   1.161
   50   2HD   ARG   7           HD1      ARG   7  13.680   6.449   2.539
   51    HE   ARG   7           HE       ARG   7  16.489   6.420   2.692
   52   1HH1  ARG   7          HH21      ARG   7  13.833   4.743   4.135
   53   2HH1  ARG   7          HH22      ARG   7  14.738   4.251   5.522
   54   1HH2  ARG   7          HH11      ARG   7  17.660   5.801   4.505
   55   2HH2  ARG   7          HH12      ARG   7  16.895   4.857   5.739
   56    H    ASP   8           HN       ASP   8  10.388   3.635   0.376
   57    HA   ASP   8           HA       ASP   8  10.415   2.415  -2.258
   58   1HB   ASP   8           HB2      ASP   8   8.147   2.404  -0.262
   59   2HB   ASP   8           HB1      ASP   8   8.512   1.203  -1.510
   60    H    TRP   9           HN       TRP   9   7.487   2.434  -2.404
   61    HA   TRP   9           HA       TRP   9   7.106   4.564  -4.295
   62   1HB   TRP   9           HB2      TRP   9   5.135   2.720  -2.892
   63   2HB   TRP   9           HB1      TRP   9   4.732   3.770  -4.238
   64    HD1  TRP   9           HD1      TRP   9   7.786   1.371  -3.805
   65    HE1  TRP   9           HE1      TRP   9   7.869  -0.167  -5.853
   66    HE3  TRP   9           HE3      TRP   9   3.545   2.892  -6.215
   67    HZ2  TRP   9           HZ2      TRP   9   6.328  -0.728  -8.199
   68    HZ3  TRP   9           HZ3      TRP   9   2.858   1.821  -8.350
   69    HH2  TRP   9           HH2      TRP   9   4.246   0.012  -9.343
   70    H    HIS  10           HN       HIS  10   6.979   6.682  -3.567
   71    HA   HIS  10           HA       HIS  10   6.410   7.615  -0.998
   72   1HB   HIS  10           HB2      HIS  10   5.648   8.877  -3.654
   73   2HB   HIS  10           HB1      HIS  10   5.611   9.722  -2.103
   74    HD1  HIS  10           HD1      HIS  10   8.191   8.877  -0.802
   75    HD2  HIS  10           HD2      HIS  10   7.960   9.784  -4.864
   76    HE1  HIS  10           HE1      HIS  10  10.540   9.480  -1.537
   77    H    ARG  11           HN       ARG  11   4.331   8.681  -0.215
   78    HA   ARG  11           HA       ARG  11   2.189   6.824  -0.195
   79   1HB   ARG  11           HB2      ARG  11   2.585   8.669   1.482
   80   2HB   ARG  11           HB1      ARG  11   1.967   9.813   0.296
   81   1HG   ARG  11           HG2      ARG  11   0.215   7.445   0.834
   82   2HG   ARG  11           HG1      ARG  11   0.386   8.585   2.163
   83   1HD   ARG  11           HD2      ARG  11  -0.274  10.435   0.645
   84   2HD   ARG  11           HD1      ARG  11  -0.509   9.265  -0.654
   85    HE   ARG  11           HE       ARG  11  -2.095   8.280   1.374
   86   1HH1  ARG  11          HH21      ARG  11  -1.689  11.328  -0.187
   87   2HH1  ARG  11          HH22      ARG  11  -3.346  11.795   0.002
   88   1HH2  ARG  11          HH11      ARG  11  -4.261   8.872   1.627
   89   2HH2  ARG  11          HH12      ARG  11  -4.802  10.406   1.030
   90    H    ALA  12           HN       ALA  12   2.958   9.418  -2.411
   91    HA   ALA  12           HA       ALA  12   0.312   9.310  -3.717
   92   1HB   ALA  12           HB3      ALA  12   2.864  10.826  -4.300
   93   2HB   ALA  12           HB2      ALA  12   1.450  10.891  -5.351
   94   3HB   ALA  12           HB1      ALA  12   1.341  11.469  -3.689
   95    H    ASP  13           HN       ASP  13   3.513   7.929  -4.114
   96    HA   ASP  13           HA       ASP  13   3.154   7.100  -6.860
   97   1HB   ASP  13           HB2      ASP  13   4.919   6.061  -4.639
   98   2HB   ASP  13           HB1      ASP  13   4.984   5.444  -6.292
   99    H    VAL  14           HN       VAL  14   2.043   6.011  -3.798
  100    HA   VAL  14           HA       VAL  14   1.346   3.303  -4.631
  101    HB   VAL  14           HB       VAL  14   0.551   5.017  -2.258
  102   1HG1  VAL  14          HG13      VAL  14  -0.127   2.152  -2.943
  103   2HG1  VAL  14          HG12      VAL  14  -0.206   2.785  -1.299
  104   3HG1  VAL  14          HG11      VAL  14  -1.242   3.465  -2.554
  105   1HG2  VAL  14          HG23      VAL  14   2.476   2.701  -2.615
  106   2HG2  VAL  14          HG22      VAL  14   2.893   4.375  -2.248
  107   3HG2  VAL  14          HG21      VAL  14   2.041   3.397  -1.053
  108    H    ILE  15           HN       ILE  15  -0.625   6.170  -3.743
  109    HA   ILE  15           HA       ILE  15  -3.024   5.031  -4.906
  110    HB   ILE  15           HB       ILE  15  -2.435   7.902  -4.135
  111   1HG1  ILE  15          HG12      ILE  15  -3.889   5.778  -2.530
  112   2HG1  ILE  15          HG11      ILE  15  -2.160   6.063  -2.353
  113   1HG2  ILE  15          HG21      ILE  15  -5.035   6.395  -4.566
  114   2HG2  ILE  15          HG23      ILE  15  -4.915   8.039  -3.944
  115   3HG2  ILE  15          HG22      ILE  15  -4.403   7.683  -5.591
  116   1HD1  ILE  15          HD11      ILE  15  -2.835   8.549  -1.978
  117   2HD1  ILE  15          HD13      ILE  15  -4.444   7.897  -1.674
  118   3HD1  ILE  15          HD12      ILE  15  -3.085   7.399  -0.669
  119    H    ALA  16           HN       ALA  16  -0.780   7.629  -5.989
  120    HA   ALA  16           HA       ALA  16  -2.173   8.282  -8.367
  121   1HB   ALA  16           HB1      ALA  16  -0.086   9.419  -7.413
  122   2HB   ALA  16           HB3      ALA  16   0.841   8.138  -8.194
  123   3HB   ALA  16           HB2      ALA  16  -0.140   9.237  -9.165
  124    H    GLY  17           HN       GLY  17   0.370   5.838  -7.867
  125   1HA   GLY  17           HA2      GLY  17   0.324   4.815 -10.538
  126   2HA   GLY  17           HA1      GLY  17   0.951   3.964  -9.129
  127    H    LEU  18           HN       LEU  18  -1.200   3.506  -7.560
  128    HA   LEU  18           HA       LEU  18  -2.557   1.376  -8.895
  129   1HB   LEU  18           HB2      LEU  18  -3.013   2.851  -6.303
  130   2HB   LEU  18           HB1      LEU  18  -4.125   1.588  -6.819
  131    HG   LEU  18           HG       LEU  18  -1.155   1.055  -6.737
  132   1HD1  LEU  18          HD13      LEU  18  -1.837   1.922  -4.507
  133   2HD1  LEU  18          HD12      LEU  18  -3.112   0.713  -4.446
  134   3HD1  LEU  18          HD11      LEU  18  -1.421   0.213  -4.449
  135   1HD2  LEU  18          HD22      LEU  18  -3.632  -0.675  -6.423
  136   2HD2  LEU  18          HD21      LEU  18  -2.595  -0.621  -7.842
  137   3HD2  LEU  18          HD23      LEU  18  -1.978  -1.265  -6.324
  138    H    LYS  19           HN       LYS  19  -3.741   4.567  -7.873
  139    HA   LYS  19           HA       LYS  19  -6.350   4.380  -8.945
  140   1HB   LYS  19           HB2      LYS  19  -5.454   6.179  -7.420
  141   2HB   LYS  19           HB1      LYS  19  -4.645   6.878  -8.821
  142   1HG   LYS  19           HG2      LYS  19  -6.766   7.234  -9.945
  143   2HG   LYS  19           HG1      LYS  19  -7.630   6.366  -8.678
  144   1HD   LYS  19           HD2      LYS  19  -7.967   8.632  -8.111
  145   2HD   LYS  19           HD1      LYS  19  -6.638   8.144  -7.062
  146   1HE   LYS  19           HE2      LYS  19  -5.013   9.148  -8.572
  147   2HE   LYS  19           HE1      LYS  19  -6.275   9.510  -9.748
  148   1HZ   LYS  19           HZ1      LYS  19  -7.334  10.921  -8.057
  149   2HZ   LYS  19           HZ3      LYS  19  -6.034  10.630  -7.009
  150   3HZ   LYS  19           HZ2      LYS  19  -5.778  11.461  -8.469
  151    H    LYS  20           HN       LYS  20  -3.359   4.492 -10.598
  152    HA   LYS  20           HA       LYS  20  -4.098   5.948 -12.917
  153   1HB   LYS  20           HB2      LYS  20  -2.149   5.138 -13.909
  154   2HB   LYS  20           HB1      LYS  20  -1.771   4.873 -12.211
  155   1HG   LYS  20           HG2      LYS  20  -2.729   2.519 -12.505
  156   2HG   LYS  20           HG1      LYS  20  -2.733   2.837 -14.237
  157   1HD   LYS  20           HD2      LYS  20  -0.257   3.125 -12.508
  158   2HD   LYS  20           HD1      LYS  20  -0.660   1.648 -13.379
  159   1HE   LYS  20           HE2      LYS  20  -0.792   3.097 -15.489
  160   2HE   LYS  20           HE1      LYS  20  -0.029   4.370 -14.536
  161   1HZ   LYS  20           HZ3      LYS  20   1.521   2.237 -14.000
  162   2HZ   LYS  20           HZ2      LYS  20   1.103   1.952 -15.620
  163   3HZ   LYS  20           HZ1      LYS  20   1.864   3.406 -15.180
  164    H    ARG  21           HN       ARG  21  -4.948   2.804 -11.799
  165    HA   ARG  21           HA       ARG  21  -6.269   2.129 -14.378
  166   1HB   ARG  21           HB2      ARG  21  -5.767   0.643 -11.784
  167   2HB   ARG  21           HB1      ARG  21  -6.913   0.040 -12.983
  168   1HG   ARG  21           HG2      ARG  21  -5.180  -0.068 -14.673
  169   2HG   ARG  21           HG1      ARG  21  -4.014   0.690 -13.592
  170   1HD   ARG  21           HD2      ARG  21  -4.791  -1.438 -12.052
  171   2HD   ARG  21           HD1      ARG  21  -4.962  -2.137 -13.659
  172    HE   ARG  21           HE       ARG  21  -2.519  -1.806 -12.302
  173   1HH1  ARG  21          HH21      ARG  21  -3.891  -0.897 -15.343
  174   2HH1  ARG  21          HH22      ARG  21  -2.358  -0.711 -16.116
  175   1HH2  ARG  21          HH11      ARG  21  -0.532  -1.584 -13.310
  176   2HH2  ARG  21          HH12      ARG  21  -0.460  -1.109 -14.973
  177    H    LYS  22           HN       LYS  22  -7.623   1.153 -11.352
  178    HA   LYS  22           HA       LYS  22  -9.480   3.404 -11.199
  179   1HB   LYS  22           HB2      LYS  22 -10.438   0.628 -11.987
  180   2HB   LYS  22           HB1      LYS  22 -11.508   1.888 -11.377
  181   1HG   LYS  22           HG2      LYS  22 -10.612   3.377 -13.250
  182   2HG   LYS  22           HG1      LYS  22  -9.879   1.921 -13.925
  183   1HD   LYS  22           HD2      LYS  22 -12.832   2.331 -13.368
  184   2HD   LYS  22           HD1      LYS  22 -12.068   2.309 -14.957
  185   1HE   LYS  22           HE2      LYS  22 -11.197  -0.066 -14.177
  186   2HE   LYS  22           HE1      LYS  22 -12.563   0.028 -13.065
  187   1HZ   LYS  22           HZ3      LYS  22 -13.495   0.869 -15.531
  188   2HZ   LYS  22           HZ2      LYS  22 -12.559  -0.515 -15.838
  189   3HZ   LYS  22           HZ1      LYS  22 -13.853  -0.587 -14.738
  190    H    LEU  23           HN       LEU  23  -7.738   2.790  -9.267
  191    HA   LEU  23           HA       LEU  23  -9.368   1.337  -7.193
  192   1HB   LEU  23           HB2      LEU  23  -6.355   1.493  -7.287
  193   2HB   LEU  23           HB1      LEU  23  -7.329   0.529  -6.188
  194    HG   LEU  23           HG       LEU  23  -7.299   0.141  -9.197
  195   1HD1  LEU  23          HD13      LEU  23  -5.800  -1.305  -6.995
  196   2HD1  LEU  23          HD12      LEU  23  -5.883  -1.842  -8.674
  197   3HD1  LEU  23          HD11      LEU  23  -5.082  -0.320  -8.272
  198   1HD2  LEU  23          HD22      LEU  23  -8.389  -1.466  -6.864
  199   2HD2  LEU  23          HD21      LEU  23  -9.315  -0.754  -8.183
  200   3HD2  LEU  23          HD23      LEU  23  -8.236  -2.111  -8.496
  201    H    SER  24           HN       SER  24  -9.340   2.214  -5.116
  202    HA   SER  24           HA       SER  24  -7.792   4.669  -4.578
  203   1HB   SER  24           HB2      SER  24  -9.885   5.886  -3.876
  204   2HB   SER  24           HB1      SER  24  -9.769   5.617  -5.615
  205    HG   SER  24           HG       SER  24 -11.214   4.055  -3.729
  206    H    LEU  25           HN       LEU  25  -7.074   4.469  -2.470
  207    HA   LEU  25           HA       LEU  25  -7.651   2.309  -0.806
  208   1HB   LEU  25           HB2      LEU  25  -7.048   5.129   0.132
  209   2HB   LEU  25           HB1      LEU  25  -6.833   3.658   1.083
  210    HG   LEU  25           HG       LEU  25  -5.467   4.006  -1.594
  211   1HD1  LEU  25          HD12      LEU  25  -4.855   5.928  -0.148
  212   2HD1  LEU  25          HD11      LEU  25  -4.374   4.802   1.120
  213   3HD1  LEU  25          HD13      LEU  25  -3.491   4.838  -0.405
  214   1HD2  LEU  25          HD23      LEU  25  -4.979   2.302   0.871
  215   2HD2  LEU  25          HD22      LEU  25  -5.410   1.747  -0.744
  216   3HD2  LEU  25          HD21      LEU  25  -3.822   2.446  -0.449
  217    H    SER  26           HN       SER  26  -9.752   4.903  -1.579
  218    HA   SER  26           HA       SER  26 -11.387   4.644   0.850
  219   1HB   SER  26           HB2      SER  26 -12.951   6.162  -0.408
  220   2HB   SER  26           HB1      SER  26 -11.328   6.819  -0.216
  221    HG   SER  26           HG       SER  26 -12.119   5.311  -2.479
  222    H    ALA  27           HN       ALA  27 -11.431   3.504  -2.490
  223    HA   ALA  27           HA       ALA  27 -14.068   2.268  -2.207
  224   1HB   ALA  27           HB3      ALA  27 -11.925   2.151  -4.339
  225   2HB   ALA  27           HB2      ALA  27 -13.416   1.213  -4.440
  226   3HB   ALA  27           HB1      ALA  27 -13.483   2.975  -4.414
  227    H    LEU  28           HN       LEU  28 -10.690   1.104  -2.339
  228    HA   LEU  28           HA       LEU  28 -11.318  -1.672  -2.068
  229   1HB   LEU  28           HB2      LEU  28  -8.864  -0.028  -1.430
  230   2HB   LEU  28           HB1      LEU  28  -8.922  -1.757  -1.095
  231    HG   LEU  28           HG       LEU  28  -9.395  -2.240  -3.431
  232   1HD1  LEU  28          HD11      LEU  28  -9.505   0.768  -3.650
  233   2HD1  LEU  28          HD13      LEU  28  -9.207  -0.248  -5.057
  234   3HD1  LEU  28          HD12      LEU  28 -10.710  -0.412  -4.163
  235   1HD2  LEU  28          HD21      LEU  28  -7.009  -1.810  -2.590
  236   2HD2  LEU  28          HD23      LEU  28  -7.249  -1.717  -4.335
  237   3HD2  LEU  28          HD22      LEU  28  -7.129  -0.237  -3.380
  238    H    SER  29           HN       SER  29 -10.990   0.932   0.249
  239    HA   SER  29           HA       SER  29 -10.791  -0.680   2.611
  240   1HB   SER  29           HB2      SER  29 -10.285   1.533   3.080
  241   2HB   SER  29           HB1      SER  29 -11.522   2.152   1.990
  242    HG   SER  29           HG       SER  29 -13.020   1.887   3.517
  243    H    ARG  30           HN       ARG  30 -13.659   0.970   1.188
  244    HA   ARG  30           HA       ARG  30 -15.497  -0.291   3.008
  245   1HB   ARG  30           HB2      ARG  30 -17.254   0.560   1.491
  246   2HB   ARG  30           HB1      ARG  30 -16.057   1.802   1.854
  247   1HG   ARG  30           HG2      ARG  30 -14.881   1.230  -0.274
  248   2HG   ARG  30           HG1      ARG  30 -16.189   0.108  -0.654
  249   1HD   ARG  30           HD2      ARG  30 -16.593   3.064  -0.112
  250   2HD   ARG  30           HD1      ARG  30 -16.472   2.363  -1.724
  251    HE   ARG  30           HE       ARG  30 -18.480   0.892  -0.497
  252   1HH1  ARG  30          HH21      ARG  30 -17.785   4.222  -1.069
  253   2HH1  ARG  30          HH22      ARG  30 -19.450   4.692  -1.145
  254   1HH2  ARG  30          HH11      ARG  30 -20.659   1.489  -0.598
  255   2HH2  ARG  30          HH12      ARG  30 -21.075   3.147  -0.888
  256    H    GLN  31           HN       GLN  31 -13.958  -1.438   0.137
  257    HA   GLN  31           HA       GLN  31 -15.981  -3.304  -0.699
  258   1HB   GLN  31           HB2      GLN  31 -13.039  -2.970  -1.191
  259   2HB   GLN  31           HB1      GLN  31 -13.776  -4.510  -1.623
  260   1HG   GLN  31           HG2      GLN  31 -15.463  -3.308  -2.989
  261   2HG   GLN  31           HG1      GLN  31 -14.681  -1.778  -2.589
  262   1HE2  GLN  31          HE22      GLN  31 -11.654  -3.500  -4.344
  263   2HE2  GLN  31          HE21      GLN  31 -12.011  -3.478  -2.685
  264    H    PHE  32           HN       PHE  32 -13.344  -3.519   1.670
  265    HA   PHE  32           HA       PHE  32 -14.150  -6.334   2.290
  266   1HB   PHE  32           HB2      PHE  32 -11.729  -4.652   3.008
  267   2HB   PHE  32           HB1      PHE  32 -12.075  -6.189   3.806
  268    HD1  PHE  32           HD1      PHE  32 -11.389  -4.589   0.511
  269    HD2  PHE  32           HD2      PHE  32 -11.737  -8.289   2.693
  270    HE1  PHE  32           HE1      PHE  32 -10.461  -5.828  -1.438
  271    HE2  PHE  32           HE2      PHE  32 -10.806  -9.527   0.747
  272    HZ   PHE  32           HZ       PHE  32 -10.170  -8.297  -1.320
  273    H    GLY  33           HN       GLY  33 -14.219  -3.068   3.545
  274   1HA   GLY  33           HA2      GLY  33 -15.741  -2.292   5.192
  275   2HA   GLY  33           HA1      GLY  33 -16.077  -3.960   5.640
  276    H    TYR  34           HN       TYR  34 -12.714  -2.878   5.533
  277    HA   TYR  34           HA       TYR  34 -12.616  -3.286   8.476
  278   1HB   TYR  34           HB2      TYR  34 -10.456  -2.940   6.379
  279   2HB   TYR  34           HB1      TYR  34 -10.108  -2.940   8.106
  280    HD1  TYR  34           HD2      TYR  34 -11.508  -5.005   9.395
  281    HD2  TYR  34           HD1      TYR  34 -10.057  -4.992   5.328
  282    HE1  TYR  34           HE2      TYR  34 -11.537  -7.484   9.371
  283    HE2  TYR  34           HE1      TYR  34 -10.084  -7.475   5.318
  284    HH   TYR  34           HH       TYR  34 -10.919  -9.321   8.242
  285    H    ALA  35           HN       ALA  35 -13.584  -0.858   6.734
  286    HA   ALA  35           HA       ALA  35 -13.922   1.366   7.293
  287   1HB   ALA  35           HB2      ALA  35 -13.281   0.437   9.691
  288   2HB   ALA  35           HB1      ALA  35 -11.795   1.341   9.409
  289   3HB   ALA  35           HB3      ALA  35 -13.349   2.173   9.396
  290    HA   PRO  36           HA       PRO  36 -10.688   3.088   4.790
  291   1HB   PRO  36           HB2      PRO  36 -10.945   5.801   5.659
  292   2HB   PRO  36           HB1      PRO  36 -11.728   5.062   4.255
  293   1HG   PRO  36           HG2      PRO  36 -12.920   5.791   6.847
  294   2HG   PRO  36           HG1      PRO  36 -13.733   5.366   5.334
  295   1HD   PRO  36           HD2      PRO  36 -13.544   3.720   7.643
  296   2HD   PRO  36           HD1      PRO  36 -14.072   3.210   6.023
  297    H    THR  37           HN       THR  37 -10.841   3.597   8.233
  298    HA   THR  37           HA       THR  37  -8.248   4.792   8.572
  299    HB   THR  37           HB       THR  37  -8.494   4.163  10.928
  300    HG1  THR  37           HG1      THR  37  -9.926   2.679  11.551
  301   1HG2  THR  37          HG21      THR  37  -9.853   6.052   9.932
  302   2HG2  THR  37          HG23      THR  37 -11.205   4.925   9.824
  303   3HG2  THR  37          HG22      THR  37 -10.533   5.347  11.398
  304    H    THR  38           HN       THR  38  -9.373   1.391   8.770
  305    HA   THR  38           HA       THR  38  -6.879   0.244   9.460
  306    HB   THR  38           HB       THR  38  -9.138  -0.839   7.749
  307    HG1  THR  38           HG1      THR  38  -9.069  -0.345  10.217
  308   1HG2  THR  38          HG23      THR  38  -6.477  -2.001   8.415
  309   2HG2  THR  38          HG22      THR  38  -7.861  -3.052   8.702
  310   3HG2  THR  38          HG21      THR  38  -7.578  -2.394   7.092
  311    H    LEU  39           HN       LEU  39  -8.226   0.140   6.160
  312    HA   LEU  39           HA       LEU  39  -5.874  -0.507   4.817
  313   1HB   LEU  39           HB2      LEU  39  -8.280  -0.276   3.919
  314   2HB   LEU  39           HB1      LEU  39  -7.886   1.421   3.667
  315    HG   LEU  39           HG       LEU  39  -5.892   0.687   2.318
  316   1HD1  LEU  39          HD13      LEU  39  -7.065  -2.006   2.967
  317   2HD1  LEU  39          HD12      LEU  39  -6.346  -1.775   1.375
  318   3HD1  LEU  39          HD11      LEU  39  -5.373  -1.532   2.826
  319   1HD2  LEU  39          HD23      LEU  39  -8.016   1.396   1.299
  320   2HD2  LEU  39          HD22      LEU  39  -7.241   0.145   0.331
  321   3HD2  LEU  39          HD21      LEU  39  -8.610  -0.259   1.369
  322    H    ALA  40           HN       ALA  40  -7.103   2.810   5.415
  323    HA   ALA  40           HA       ALA  40  -4.978   4.207   4.190
  324   1HB   ALA  40           HB2      ALA  40  -6.524   4.973   6.688
  325   2HB   ALA  40           HB1      ALA  40  -5.544   6.076   5.720
  326   3HB   ALA  40           HB3      ALA  40  -6.991   5.343   5.028
  327    H    ASN  41           HN       ASN  41  -5.270   3.749   7.721
  328    HA   ASN  41           HA       ASN  41  -2.567   4.405   8.289
  329   1HB   ASN  41           HB2      ASN  41  -4.409   4.345   9.973
  330   2HB   ASN  41           HB1      ASN  41  -4.375   2.579   9.899
  331   1HD2  ASN  41          HD22      ASN  41  -0.776   4.076  11.140
  332   2HD2  ASN  41          HD21      ASN  41  -1.432   4.566   9.655
  333    H    ALA  42           HN       ALA  42  -3.647   1.701   6.616
  334    HA   ALA  42           HA       ALA  42  -1.872  -0.284   7.752
  335   1HB   ALA  42           HB3      ALA  42  -3.907  -0.769   6.295
  336   2HB   ALA  42           HB2      ALA  42  -2.930  -0.257   4.918
  337   3HB   ALA  42           HB1      ALA  42  -2.443  -1.656   5.872
  338    H    LEU  43           HN       LEU  43  -1.016   2.521   6.514
  339    HA   LEU  43           HA       LEU  43   1.047   1.627   4.613
  340   1HB   LEU  43           HB2      LEU  43   0.342   4.325   5.797
  341   2HB   LEU  43           HB1      LEU  43   1.686   4.087   4.679
  342    HG   LEU  43           HG       LEU  43  -1.075   3.115   3.931
  343   1HD1  LEU  43          HD12      LEU  43  -0.018   5.942   3.665
  344   2HD1  LEU  43          HD11      LEU  43  -1.419   5.323   2.792
  345   3HD1  LEU  43          HD13      LEU  43  -1.453   5.424   4.551
  346   1HD2  LEU  43          HD21      LEU  43   1.346   4.106   2.381
  347   2HD2  LEU  43          HD23      LEU  43   0.761   2.444   2.470
  348   3HD2  LEU  43          HD22      LEU  43  -0.191   3.673   1.641
  349    H    GLU  44           HN       GLU  44   0.987   3.211   7.822
  350    HA   GLU  44           HA       GLU  44   3.825   2.345   8.229
  351   1HB   GLU  44           HB2      GLU  44   2.186   4.563   9.470
  352   2HB   GLU  44           HB1      GLU  44   3.765   4.076  10.082
  353   1HG   GLU  44           HG2      GLU  44   3.330   4.826   7.188
  354   2HG   GLU  44           HG1      GLU  44   3.744   6.024   8.413
  355    H    ARG  45           HN       ARG  45   0.671   1.534   9.104
  356    HA   ARG  45           HA       ARG  45   1.192   0.853  11.884
  357   1HB   ARG  45           HB2      ARG  45  -1.096   1.321  10.956
  358   2HB   ARG  45           HB1      ARG  45  -1.001  -0.213  10.085
  359   1HG   ARG  45           HG2      ARG  45  -0.728  -1.429  12.184
  360   2HG   ARG  45           HG1      ARG  45  -0.713   0.083  13.088
  361   1HD   ARG  45           HD2      ARG  45  -3.087   0.265  11.638
  362   2HD   ARG  45           HD1      ARG  45  -3.016  -1.445  12.048
  363    HE   ARG  45           HE       ARG  45  -3.813   0.562  13.826
  364   1HH1  ARG  45          HH21      ARG  45  -1.360  -1.871  13.718
  365   2HH1  ARG  45          HH22      ARG  45  -1.187  -1.948  15.435
  366   1HH2  ARG  45          HH11      ARG  45  -3.596   0.457  16.059
  367   2HH2  ARG  45          HH12      ARG  45  -2.451  -0.637  16.759
  368    H    HIS  46           HN       HIS  46   1.751  -1.151  12.737
  369    HA   HIS  46           HA       HIS  46   3.216  -2.963  11.031
  370   1HB   HIS  46           HB2      HIS  46   2.230  -3.270  13.888
  371   2HB   HIS  46           HB1      HIS  46   3.339  -4.386  13.086
  372    HD1  HIS  46           HD1      HIS  46   5.580  -3.914  14.093
  373    HD2  HIS  46           HD2      HIS  46   3.551  -0.401  13.132
  374    HE1  HIS  46           HE1      HIS  46   7.190  -2.012  14.542
  375    H    TRP  47           HN       TRP  47   1.601  -3.559   9.436
  376    HA   TRP  47           HA       TRP  47   0.068  -5.928  10.194
  377   1HB   TRP  47           HB2      TRP  47  -1.512  -4.116  10.820
  378   2HB   TRP  47           HB1      TRP  47  -1.406  -3.472   9.182
  379    HD1  TRP  47           HD1      TRP  47  -1.879  -7.122  10.428
  380    HE1  TRP  47           HE1      TRP  47  -3.923  -8.116   9.226
  381    HE3  TRP  47           HE3      TRP  47  -3.411  -3.028   7.759
  382    HZ2  TRP  47           HZ2      TRP  47  -5.957  -7.294   7.371
  383    HZ3  TRP  47           HZ3      TRP  47  -5.409  -3.165   6.285
  384    HH2  TRP  47           HH2      TRP  47  -6.680  -5.293   6.094
  385    HA   PRO  48           HA       PRO  48   2.037  -5.552   5.971
  386   1HB   PRO  48           HB2      PRO  48   2.670  -8.397   6.330
  387   2HB   PRO  48           HB1      PRO  48   3.771  -7.036   6.057
  388   1HG   PRO  48           HG2      PRO  48   3.417  -8.421   8.508
  389   2HG   PRO  48           HG1      PRO  48   4.270  -6.882   8.294
  390   1HD   PRO  48           HD2      PRO  48   1.666  -7.363   9.540
  391   2HD   PRO  48           HD1      PRO  48   2.628  -5.862   9.534
  392    H    LYS  49           HN       LYS  49  -0.445  -7.575   7.364
  393    HA   LYS  49           HA       LYS  49  -1.126  -8.954   4.907
  394   1HB   LYS  49           HB2      LYS  49  -1.823  -9.562   7.340
  395   2HB   LYS  49           HB1      LYS  49  -3.105  -8.378   7.112
  396   1HG   LYS  49           HG2      LYS  49  -4.198 -10.292   6.366
  397   2HG   LYS  49           HG1      LYS  49  -3.511  -9.725   4.847
  398   1HD   LYS  49           HD2      LYS  49  -1.530 -11.220   5.256
  399   2HD   LYS  49           HD1      LYS  49  -2.365 -11.861   6.671
  400   1HE   LYS  49           HE2      LYS  49  -3.206 -12.055   3.773
  401   2HE   LYS  49           HE1      LYS  49  -2.851 -13.376   4.889
  402   1HZ   LYS  49           HZ1      LYS  49  -4.759 -12.532   6.250
  403   2HZ   LYS  49           HZ3      LYS  49  -5.164 -11.525   4.945
  404   3HZ   LYS  49           HZ2      LYS  49  -5.182 -13.213   4.754
  405    H    GLY  50           HN       GLY  50  -1.674  -5.750   6.077
  406   1HA   GLY  50           HA2      GLY  50  -4.034  -5.240   4.430
  407   2HA   GLY  50           HA1      GLY  50  -3.054  -4.011   5.237
  408    H    GLU  51           HN       GLU  51  -0.570  -5.161   4.047
  409    HA   GLU  51           HA       GLU  51  -0.527  -3.539   1.653
  410   1HB   GLU  51           HB2      GLU  51   1.510  -5.626   2.467
  411   2HB   GLU  51           HB1      GLU  51   1.775  -4.190   1.476
  412   1HG   GLU  51           HG2      GLU  51   1.185  -2.766   3.426
  413   2HG   GLU  51           HG1      GLU  51   1.015  -4.217   4.406
  414    H    GLN  52           HN       GLN  52  -0.659  -7.055   2.281
  415    HA   GLN  52           HA       GLN  52  -0.393  -7.830  -0.454
  416   1HB   GLN  52           HB2      GLN  52  -0.952  -9.994   0.227
  417   2HB   GLN  52           HB1      GLN  52  -0.324  -9.289   1.708
  418   1HG   GLN  52           HG2      GLN  52  -2.273 -10.162   2.581
  419   2HG   GLN  52           HG1      GLN  52  -2.927  -8.634   2.021
  420   1HE2  GLN  52          HE22      GLN  52  -3.575 -11.726  -0.600
  421   2HE2  GLN  52          HE21      GLN  52  -2.010 -11.458   0.001
  422    H    ILE  53           HN       ILE  53  -3.186  -6.716   1.416
  423    HA   ILE  53           HA       ILE  53  -5.228  -7.440  -0.450
  424    HB   ILE  53           HB       ILE  53  -5.022  -5.038   1.397
  425   1HG1  ILE  53          HG12      ILE  53  -6.594  -7.621   1.689
  426   2HG1  ILE  53          HG11      ILE  53  -5.011  -7.358   2.419
  427   1HG2  ILE  53          HG21      ILE  53  -7.353  -6.137  -0.203
  428   2HG2  ILE  53          HG23      ILE  53  -7.538  -4.996   1.127
  429   3HG2  ILE  53          HG22      ILE  53  -6.652  -4.523  -0.317
  430   1HD1  ILE  53          HD13      ILE  53  -6.214  -5.155   3.370
  431   2HD1  ILE  53          HD12      ILE  53  -7.657  -6.139   3.139
  432   3HD1  ILE  53          HD11      ILE  53  -6.367  -6.705   4.191
  433    H    ILE  54           HN       ILE  54  -3.404  -4.378  -0.124
  434    HA   ILE  54           HA       ILE  54  -4.456  -3.154  -2.478
  435    HB   ILE  54           HB       ILE  54  -1.855  -2.756  -0.977
  436   1HG1  ILE  54          HG12      ILE  54  -4.357  -1.048  -1.116
  437   2HG1  ILE  54          HG11      ILE  54  -4.090  -2.263   0.134
  438   1HG2  ILE  54          HG23      ILE  54  -3.028  -1.310  -3.350
  439   2HG2  ILE  54          HG22      ILE  54  -1.937  -0.490  -2.235
  440   3HG2  ILE  54          HG21      ILE  54  -1.384  -1.901  -3.132
  441   1HD1  ILE  54          HD12      ILE  54  -1.769  -0.931   0.416
  442   2HD1  ILE  54          HD11      ILE  54  -2.732   0.383  -0.256
  443   3HD1  ILE  54          HD13      ILE  54  -3.236  -0.405   1.234
  444    H    ALA  55           HN       ALA  55  -1.335  -4.862  -1.986
  445    HA   ALA  55           HA       ALA  55  -0.456  -4.679  -4.678
  446   1HB   ALA  55           HB3      ALA  55   0.836  -5.503  -2.609
  447   2HB   ALA  55           HB2      ALA  55   0.083  -7.071  -2.908
  448   3HB   ALA  55           HB1      ALA  55   1.136  -6.349  -4.126
  449    H    ASN  56           HN       ASN  56  -2.613  -7.025  -3.114
  450    HA   ASN  56           HA       ASN  56  -2.750  -8.949  -5.177
  451   1HB   ASN  56           HB2      ASN  56  -4.815  -7.961  -3.204
  452   2HB   ASN  56           HB1      ASN  56  -5.166  -9.253  -4.346
  453   1HD2  ASN  56          HD22      ASN  56  -2.301 -11.171  -2.758
  454   2HD2  ASN  56          HD21      ASN  56  -2.487 -10.462  -4.288
  455    H    ALA  57           HN       ALA  57  -4.211  -5.761  -4.912
  456    HA   ALA  57           HA       ALA  57  -6.107  -5.983  -7.021
  457   1HB   ALA  57           HB1      ALA  57  -5.758  -4.058  -5.332
  458   2HB   ALA  57           HB3      ALA  57  -4.536  -3.465  -6.458
  459   3HB   ALA  57           HB2      ALA  57  -6.215  -3.616  -6.977
  460    H    LEU  58           HN       LEU  58  -2.639  -5.222  -7.088
  461    HA   LEU  58           HA       LEU  58  -2.695  -4.897 -10.030
  462   1HB   LEU  58           HB2      LEU  58  -0.453  -4.822  -7.982
  463   2HB   LEU  58           HB1      LEU  58  -0.218  -4.564  -9.704
  464    HG   LEU  58           HG       LEU  58  -2.193  -2.910  -8.126
  465   1HD1  LEU  58          HD13      LEU  58   0.781  -2.457  -8.495
  466   2HD1  LEU  58          HD12      LEU  58  -0.337  -1.191  -7.995
  467   3HD1  LEU  58          HD11      LEU  58  -0.096  -2.604  -6.971
  468   1HD2  LEU  58          HD21      LEU  58  -0.711  -2.577 -10.756
  469   2HD2  LEU  58          HD23      LEU  58  -2.454  -2.663 -10.506
  470   3HD2  LEU  58          HD22      LEU  58  -1.559  -1.248  -9.970
  471    H    GLU  59           HN       GLU  59  -3.024  -7.471  -8.175
  472    HA   GLU  59           HA       GLU  59  -2.463  -9.740  -8.335
  473   1HB   GLU  59           HB2      GLU  59  -1.988  -8.826 -11.184
  474   2HB   GLU  59           HB1      GLU  59  -1.972 -10.516 -10.685
  475   1HG   GLU  59           HG2      GLU  59  -4.286 -10.181  -9.745
  476   2HG   GLU  59           HG1      GLU  59  -4.291  -8.576 -10.478
  477    H    THR  60           HN       THR  60  -0.332  -7.728  -7.657
  478    HA   THR  60           HA       THR  60   2.072  -9.314  -8.508
  479    HB   THR  60           HB       THR  60   1.918  -6.833  -9.171
  480    HG1  THR  60           HG1      THR  60   4.132  -6.542  -8.557
  481   1HG2  THR  60          HG22      THR  60   1.075  -6.259  -6.762
  482   2HG2  THR  60          HG21      THR  60   2.788  -6.300  -6.341
  483   3HG2  THR  60          HG23      THR  60   2.206  -5.160  -7.554
  484    H    LYS  61           HN       LYS  61   3.834  -8.337  -6.567
  485    HA   LYS  61           HA       LYS  61   2.702  -9.567  -4.088
  486   1HB   LYS  61           HB2      LYS  61   5.564  -9.329  -5.052
  487   2HB   LYS  61           HB1      LYS  61   5.076 -10.079  -3.534
  488   1HG   LYS  61           HG2      LYS  61   4.027 -11.886  -4.607
  489   2HG   LYS  61           HG1      LYS  61   3.866 -11.024  -6.133
  490   1HD   LYS  61           HD2      LYS  61   6.630 -11.581  -5.067
  491   2HD   LYS  61           HD1      LYS  61   5.734 -12.884  -5.848
  492   1HE   LYS  61           HE2      LYS  61   5.412 -11.446  -7.846
  493   2HE   LYS  61           HE1      LYS  61   6.359 -10.178  -7.072
  494   1HZ   LYS  61           HZ2      LYS  61   7.477 -12.886  -7.338
  495   2HZ   LYS  61           HZ1      LYS  61   7.508 -11.828  -8.667
  496   3HZ   LYS  61           HZ3      LYS  61   8.285 -11.398  -7.223
  497    HA   PRO  62           HA       PRO  62   3.191  -5.615  -2.094
  498   1HB   PRO  62           HB2      PRO  62   4.093  -6.579   0.449
  499   2HB   PRO  62           HB1      PRO  62   2.427  -6.199  -0.012
  500   1HG   PRO  62           HG2      PRO  62   3.674  -8.841   0.333
  501   2HG   PRO  62           HG1      PRO  62   1.956  -8.439   0.184
  502   1HD   PRO  62           HD2      PRO  62   3.567  -9.674  -1.811
  503   2HD   PRO  62           HD1      PRO  62   1.937  -9.000  -2.037
  504    H    GLU  63           HN       GLU  63   5.739  -8.030  -1.955
  505    HA   GLU  63           HA       GLU  63   7.876  -6.417  -1.003
  506   1HB   GLU  63           HB2      GLU  63   7.967  -8.686  -3.021
  507   2HB   GLU  63           HB1      GLU  63   9.349  -8.053  -2.126
  508   1HG   GLU  63           HG2      GLU  63   6.876  -9.264  -0.852
  509   2HG   GLU  63           HG1      GLU  63   8.410 -10.108  -1.075
  510    H    VAL  64           HN       VAL  64   6.027  -5.981  -3.765
  511    HA   VAL  64           HA       VAL  64   8.238  -4.858  -5.400
  512    HB   VAL  64           HB       VAL  64   5.262  -4.998  -5.977
  513   1HG1  VAL  64          HG11      VAL  64   7.701  -4.263  -7.607
  514   2HG1  VAL  64          HG13      VAL  64   6.189  -4.765  -8.365
  515   3HG1  VAL  64          HG12      VAL  64   6.232  -3.318  -7.356
  516   1HG2  VAL  64          HG22      VAL  64   6.423  -7.229  -5.678
  517   2HG2  VAL  64          HG21      VAL  64   5.761  -6.967  -7.291
  518   3HG2  VAL  64          HG23      VAL  64   7.490  -6.779  -7.009
  519    H    ILE  65           HN       ILE  65   5.391  -3.792  -3.565
  520    HA   ILE  65           HA       ILE  65   5.831  -0.983  -4.351
  521    HB   ILE  65           HB       ILE  65   3.879  -2.197  -2.372
  522   1HG1  ILE  65          HG12      ILE  65   2.346  -1.344  -4.451
  523   2HG1  ILE  65          HG11      ILE  65   3.821  -1.718  -5.339
  524   1HG2  ILE  65          HG22      ILE  65   4.130   0.593  -3.527
  525   2HG2  ILE  65          HG21      ILE  65   2.724   0.019  -2.631
  526   3HG2  ILE  65          HG23      ILE  65   4.289   0.130  -1.833
  527   1HD1  ILE  65          HD11      ILE  65   2.364  -3.627  -3.477
  528   2HD1  ILE  65          HD13      ILE  65   2.283  -3.663  -5.239
  529   3HD1  ILE  65          HD12      ILE  65   3.805  -4.007  -4.418
  530    H    TRP  66           HN       TRP  66   6.816  -3.122  -1.788
  531    HA   TRP  66           HA       TRP  66   8.117  -0.801  -0.414
  532   1HB   TRP  66           HB2      TRP  66   6.471  -2.981   0.889
  533   2HB   TRP  66           HB1      TRP  66   7.562  -1.920   1.782
  534    HD1  TRP  66           HD1      TRP  66   7.041   0.764   1.599
  535    HE1  TRP  66           HE1      TRP  66   4.778   1.985   1.401
  536    HE3  TRP  66           HE3      TRP  66   4.090  -3.115   0.048
  537    HZ2  TRP  66           HZ2      TRP  66   2.064   1.397   0.679
  538    HZ3  TRP  66           HZ3      TRP  66   1.667  -2.761  -0.387
  539    HH2  TRP  66           HH2      TRP  66   0.652  -0.510  -0.074
  540    HA   PRO  67           HA       PRO  67  10.998  -4.398  -1.049
  541   1HB   PRO  67           HB2      PRO  67  12.894  -2.876  -2.485
  542   2HB   PRO  67           HB1      PRO  67  11.682  -3.954  -3.199
  543   1HG   PRO  67           HG2      PRO  67  11.753  -1.015  -3.225
  544   2HG   PRO  67           HG1      PRO  67  10.717  -2.105  -4.160
  545   1HD   PRO  67           HD2      PRO  67   9.990  -0.547  -1.829
  546   2HD   PRO  67           HD1      PRO  67   8.958  -1.648  -2.762
  547    H    SER  68           HN       SER  68  11.826  -0.956  -0.435
  548    HA   SER  68           HA       SER  68  14.271  -1.484   0.950
  549   1HB   SER  68           HB2      SER  68  12.512   0.884   1.575
  550   2HB   SER  68           HB1      SER  68  14.272   0.795   1.532
  551    HG   SER  68           HG       SER  68  13.993   1.530  -0.424
  552    H    ARG  69           HN       ARG  69  11.166  -2.291   1.872
  553    HA   ARG  69           HA       ARG  69  11.745  -2.038   4.797
  554   1HB   ARG  69           HB2      ARG  69   9.228  -2.640   3.223
  555   2HB   ARG  69           HB1      ARG  69   9.321  -2.891   4.966
  556   1HG   ARG  69           HG2      ARG  69  10.087  -0.468   5.155
  557   2HG   ARG  69           HG1      ARG  69   9.653  -0.282   3.459
  558   1HD   ARG  69           HD2      ARG  69   7.375  -1.468   4.495
  559   2HD   ARG  69           HD1      ARG  69   7.894  -0.452   5.837
  560    HE   ARG  69           HE       ARG  69   6.548   0.489   3.558
  561   1HH1  ARG  69          HH21      ARG  69   9.516   1.142   5.204
  562   2HH1  ARG  69          HH22      ARG  69   9.658   2.743   4.570
  563   1HH2  ARG  69          HH11      ARG  69   6.721   2.573   2.747
  564   2HH2  ARG  69          HH12      ARG  69   8.078   3.555   3.187
  565    H    TYR  70           HN       TYR  70  12.064  -4.181   2.239
  566    HA   TYR  70           HA       TYR  70  12.209  -6.539   4.095
  567   1HB   TYR  70           HB2      TYR  70  11.103  -6.375   1.269
  568   2HB   TYR  70           HB1      TYR  70  11.580  -7.900   2.012
  569    HD1  TYR  70           HD2      TYR  70  10.624  -8.264   4.500
  570    HD2  TYR  70           HD1      TYR  70   8.879  -5.722   1.500
  571    HE1  TYR  70           HE2      TYR  70   8.431  -8.391   5.669
  572    HE2  TYR  70           HE1      TYR  70   6.681  -5.840   2.665
  573    HH   TYR  70           HH       TYR  70   5.751  -6.349   4.787
  574    H    GLN  71           HN       GLN  71  13.994  -7.951   3.617
  575    HA   GLN  71           HA       GLN  71  15.719  -7.362   1.331
  576   1HB   GLN  71           HB2      GLN  71  17.679  -6.765   2.781
  577   2HB   GLN  71           HB1      GLN  71  16.412  -5.548   2.758
  578   1HG   GLN  71           HG2      GLN  71  16.436  -7.693   4.881
  579   2HG   GLN  71           HG1      GLN  71  17.415  -6.240   5.059
  580   1HE2  GLN  71          HE22      GLN  71  14.451  -4.089   5.169
  581   2HE2  GLN  71          HE21      GLN  71  15.969  -4.132   4.413
  582    H    ALA  72           HN       ALA  72  14.621  -9.740   1.696
  583    HA   ALA  72           HA       ALA  72  16.725 -11.457   2.985
  584   1HB   ALA  72           HB1      ALA  72  14.431 -11.586   4.016
  585   2HB   ALA  72           HB3      ALA  72  13.824 -12.171   2.467
  586   3HB   ALA  72           HB2      ALA  72  15.008 -13.120   3.368
  587    H    GLY  73           HN       GLY  73  16.350 -10.303   0.141
  588   1HA   GLY  73           HA2      GLY  73  15.656 -12.372  -1.662
  589   2HA   GLY  73           HA1      GLY  73  16.801 -11.082  -2.027
  590    H    GLU  74           HN       GLU  74  18.930 -11.625  -2.209
  591    HA   GLU  74           HA       GLU  74  19.935 -14.096  -0.903
  592   1HB   GLU  74           HB2      GLU  74  19.987 -13.586  -3.892
  593   2HB   GLU  74           HB1      GLU  74  20.987 -14.800  -3.092
  594   1HG   GLU  74           HG2      GLU  74  18.877 -15.795  -2.138
  595   2HG   GLU  74           HG1      GLU  74  17.960 -14.683  -3.155
   
  No H/Q in entry =         595
  Start of MODEL          26
 Raw file had  612 H/Q atoms
  Start of MODEL   26
    1   1H    CYS   1           HT3      CYS   1   1.345  16.075   4.379
    2   2H    CYS   1           HT2      CYS   1   0.843  16.336   2.776
    3   3H    CYS   1           HT1      CYS   1   0.651  14.808   3.492
    4    HA   CYS   1           HA       CYS   1   2.534  14.326   2.388
    5   1HB   CYS   1           HB2      CYS   1   3.232  17.273   2.589
    6   2HB   CYS   1           HB1      CYS   1   4.155  16.067   1.694
    7    HG   CYS   1           HG       CYS   1   2.291  17.401   0.195
    8    H    SER   2           HN       SER   2   4.499  13.542   3.250
    9    HA   SER   2           HA       SER   2   5.628  14.780   5.671
   10   1HB   SER   2           HB2      SER   2   4.618  11.929   5.807
   11   2HB   SER   2           HB1      SER   2   5.301  12.887   7.118
   12    HG   SER   2           HG       SER   2   3.507  14.282   6.920
   13    H    ASN   3           HN       ASN   3   7.676  14.872   4.814
   14    HA   ASN   3           HA       ASN   3   9.757  14.110   4.069
   15   1HB   ASN   3           HB2      ASN   3   9.224  12.487   6.040
   16   2HB   ASN   3           HB1      ASN   3   8.886  11.307   4.776
   17   1HD2  ASN   3          HD22      ASN   3  12.330  10.537   4.794
   18   2HD2  ASN   3          HD21      ASN   3  10.746   9.976   5.026
   19    H    GLU   4           HN       GLU   4  10.564  13.508   2.062
   20    HA   GLU   4           HA       GLU   4   8.622  12.705   0.054
   21   1HB   GLU   4           HB2      GLU   4  10.378  13.006  -1.545
   22   2HB   GLU   4           HB1      GLU   4  10.566  14.283  -0.348
   23   1HG   GLU   4           HG2      GLU   4  12.167  11.714  -0.543
   24   2HG   GLU   4           HG1      GLU   4  12.752  13.356  -0.787
   25    H    LYS   5           HN       LYS   5   9.484  10.914  -1.580
   26    HA   LYS   5           HA       LYS   5   9.068   8.385  -0.598
   27   1HB   LYS   5           HB2      LYS   5  10.821   7.688  -2.487
   28   2HB   LYS   5           HB1      LYS   5   9.277   8.419  -2.918
   29   1HG   LYS   5           HG2      LYS   5  10.254  10.585  -3.193
   30   2HG   LYS   5           HG1      LYS   5  11.759  10.079  -2.430
   31   1HD   LYS   5           HD2      LYS   5  12.301  10.037  -4.715
   32   2HD   LYS   5           HD1      LYS   5  11.902   8.354  -4.393
   33   1HE   LYS   5           HE2      LYS   5  10.803   9.109  -6.456
   34   2HE   LYS   5           HE1      LYS   5   9.595   8.755  -5.220
   35   1HZ   LYS   5           HZ1      LYS   5  10.412  11.426  -4.952
   36   2HZ   LYS   5           HZ3      LYS   5  10.016  11.157  -6.578
   37   3HZ   LYS   5           HZ2      LYS   5   8.875  10.828  -5.363
   38    H    ALA   6           HN       ALA   6  12.371   8.561  -1.642
   39    HA   ALA   6           HA       ALA   6  14.392   8.090  -0.560
   40   1HB   ALA   6           HB1      ALA   6  13.318   9.760   1.172
   41   2HB   ALA   6           HB3      ALA   6  13.091   8.309   2.145
   42   3HB   ALA   6           HB2      ALA   6  14.710   8.789   1.641
   43    H    ARG   7           HN       ARG   7  11.453   6.425   0.310
   44    HA   ARG   7           HA       ARG   7  13.041   3.921   0.628
   45   1HB   ARG   7           HB2      ARG   7  11.125   5.103   2.639
   46   2HB   ARG   7           HB1      ARG   7  11.364   3.359   2.555
   47   1HG   ARG   7           HG2      ARG   7  13.696   3.562   3.040
   48   2HG   ARG   7           HG1      ARG   7  13.663   5.310   2.811
   49   1HD   ARG   7           HD2      ARG   7  12.189   3.800   4.990
   50   2HD   ARG   7           HD1      ARG   7  13.679   4.714   5.214
   51    HE   ARG   7           HE       ARG   7  11.950   6.570   4.120
   52   1HH1  ARG   7          HH21      ARG   7  11.856   4.335   6.741
   53   2HH1  ARG   7          HH22      ARG   7  10.834   5.328   7.725
   54   1HH2  ARG   7          HH11      ARG   7  10.617   7.882   5.390
   55   2HH2  ARG   7          HH12      ARG   7  10.133   7.337   6.960
   56    H    ASP   8           HN       ASP   8   9.744   3.974   1.580
   57    HA   ASP   8           HA       ASP   8   8.998   2.079  -0.456
   58   1HB   ASP   8           HB2      ASP   8   7.049   3.653   1.227
   59   2HB   ASP   8           HB1      ASP   8   6.924   1.984   0.656
   60    H    TRP   9           HN       TRP   9   6.712   2.554  -1.504
   61    HA   TRP   9           HA       TRP   9   7.098   4.482  -3.603
   62   1HB   TRP   9           HB2      TRP   9   4.729   2.849  -2.632
   63   2HB   TRP   9           HB1      TRP   9   4.607   3.939  -4.006
   64    HD1  TRP   9           HD1      TRP   9   7.472   1.489  -3.088
   65    HE1  TRP   9           HE1      TRP   9   7.869  -0.068  -5.107
   66    HE3  TRP   9           HE3      TRP   9   3.721   3.080  -6.170
   67    HZ2  TRP   9           HZ2      TRP   9   6.707  -0.610  -7.679
   68    HZ3  TRP   9           HZ3      TRP   9   3.371   2.020  -8.391
   69    HH2  TRP   9           HH2      TRP   9   4.864   0.183  -9.149
   70    H    HIS  10           HN       HIS  10   6.969   6.681  -3.201
   71    HA   HIS  10           HA       HIS  10   6.071   8.080  -1.020
   72   1HB   HIS  10           HB2      HIS  10   7.039   9.074  -3.134
   73   2HB   HIS  10           HB1      HIS  10   5.428   8.964  -3.846
   74    HD1  HIS  10           HD1      HIS  10   3.637  10.609  -3.021
   75    HD2  HIS  10           HD2      HIS  10   7.270  11.010  -1.020
   76    HE1  HIS  10           HE1      HIS  10   3.482  12.749  -1.679
   77    H    ARG  11           HN       ARG  11   4.071   8.955  -0.284
   78    HA   ARG  11           HA       ARG  11   1.806   7.349  -0.325
   79   1HB   ARG  11           HB2      ARG  11   1.392  10.330  -0.295
   80   2HB   ARG  11           HB1      ARG  11   0.662   9.089   0.726
   81   1HG   ARG  11           HG2      ARG  11   2.997   8.714   1.694
   82   2HG   ARG  11           HG1      ARG  11   3.467  10.202   0.874
   83   1HD   ARG  11           HD2      ARG  11   2.833  10.897   3.054
   84   2HD   ARG  11           HD1      ARG  11   1.444  11.285   2.039
   85    HE   ARG  11           HE       ARG  11   0.898   8.728   2.956
   86   1HH1  ARG  11          HH21      ARG  11   1.743  11.768   4.351
   87   2HH1  ARG  11          HH22      ARG  11   0.885  11.476   5.828
   88   1HH2  ARG  11          HH11      ARG  11  -0.236   8.337   4.870
   89   2HH2  ARG  11          HH12      ARG  11  -0.237   9.536   6.121
   90    H    ALA  12           HN       ALA  12   2.803   9.695  -2.734
   91    HA   ALA  12           HA       ALA  12   0.263   9.515  -4.207
   92   1HB   ALA  12           HB3      ALA  12   1.624  11.605  -4.160
   93   2HB   ALA  12           HB2      ALA  12   2.899  10.759  -5.035
   94   3HB   ALA  12           HB1      ALA  12   1.330  11.016  -5.799
   95    H    ASP  13           HN       ASP  13   3.461   8.038  -4.298
   96    HA   ASP  13           HA       ASP  13   3.241   6.967  -6.965
   97   1HB   ASP  13           HB2      ASP  13   4.855   6.195  -4.539
   98   2HB   ASP  13           HB1      ASP  13   4.929   5.243  -6.024
   99    H    VAL  14           HN       VAL  14   2.022   6.008  -3.847
  100    HA   VAL  14           HA       VAL  14   1.275   3.310  -4.641
  101    HB   VAL  14           HB       VAL  14   0.438   5.091  -2.334
  102   1HG1  VAL  14          HG12      VAL  14  -0.355   2.274  -3.052
  103   2HG1  VAL  14          HG11      VAL  14  -0.339   2.814  -1.373
  104   3HG1  VAL  14          HG13      VAL  14  -1.383   3.617  -2.546
  105   1HG2  VAL  14          HG21      VAL  14   2.793   4.345  -2.327
  106   2HG2  VAL  14          HG23      VAL  14   1.883   3.586  -1.025
  107   3HG2  VAL  14          HG22      VAL  14   2.261   2.672  -2.484
  108    H    ILE  15           HN       ILE  15  -0.652   6.245  -3.927
  109    HA   ILE  15           HA       ILE  15  -3.039   5.084  -5.107
  110    HB   ILE  15           HB       ILE  15  -2.519   7.987  -4.410
  111   1HG1  ILE  15          HG12      ILE  15  -3.681   5.781  -2.669
  112   2HG1  ILE  15          HG11      ILE  15  -2.024   6.364  -2.534
  113   1HG2  ILE  15          HG22      ILE  15  -4.570   7.367  -5.792
  114   2HG2  ILE  15          HG21      ILE  15  -5.110   6.403  -4.416
  115   3HG2  ILE  15          HG23      ILE  15  -4.916   8.150  -4.254
  116   1HD1  ILE  15          HD11      ILE  15  -3.078   8.711  -2.269
  117   2HD1  ILE  15          HD13      ILE  15  -4.578   7.841  -1.949
  118   3HD1  ILE  15          HD12      ILE  15  -3.177   7.601  -0.904
  119    H    ALA  16           HN       ALA  16  -0.751   7.637  -6.205
  120    HA   ALA  16           HA       ALA  16  -2.131   8.279  -8.595
  121   1HB   ALA  16           HB3      ALA  16  -0.035   9.417  -7.645
  122   2HB   ALA  16           HB2      ALA  16   0.882   8.141  -8.451
  123   3HB   ALA  16           HB1      ALA  16  -0.122   9.240  -9.395
  124    H    GLY  17           HN       GLY  17   0.288   5.743  -7.991
  125   1HA   GLY  17           HA2      GLY  17   0.321   4.766 -10.696
  126   2HA   GLY  17           HA1      GLY  17   0.904   3.892  -9.282
  127    H    LEU  18           HN       LEU  18  -1.296   3.484  -7.770
  128    HA   LEU  18           HA       LEU  18  -2.658   1.379  -9.150
  129   1HB   LEU  18           HB2      LEU  18  -3.035   2.803  -6.523
  130   2HB   LEU  18           HB1      LEU  18  -4.213   1.602  -7.042
  131    HG   LEU  18           HG       LEU  18  -1.269   0.928  -7.062
  132   1HD1  LEU  18          HD13      LEU  18  -1.888   1.802  -4.781
  133   2HD1  LEU  18          HD12      LEU  18  -3.127   0.554  -4.696
  134   3HD1  LEU  18          HD11      LEU  18  -1.424   0.105  -4.792
  135   1HD2  LEU  18          HD22      LEU  18  -3.830  -0.669  -6.710
  136   2HD2  LEU  18          HD21      LEU  18  -2.804  -0.654  -8.141
  137   3HD2  LEU  18          HD23      LEU  18  -2.211  -1.355  -6.637
  138    H    LYS  19           HN       LYS  19  -3.723   4.620  -8.172
  139    HA   LYS  19           HA       LYS  19  -6.386   4.421  -9.135
  140   1HB   LYS  19           HB2      LYS  19  -5.469   6.193  -7.608
  141   2HB   LYS  19           HB1      LYS  19  -4.710   6.931  -9.017
  142   1HG   LYS  19           HG2      LYS  19  -6.888   7.217 -10.090
  143   2HG   LYS  19           HG1      LYS  19  -7.678   6.368  -8.764
  144   1HD   LYS  19           HD2      LYS  19  -8.037   8.588  -8.139
  145   2HD   LYS  19           HD1      LYS  19  -6.545   8.235  -7.269
  146   1HE   LYS  19           HE2      LYS  19  -6.125  10.309  -8.337
  147   2HE   LYS  19           HE1      LYS  19  -5.333   9.128  -9.376
  148   1HZ   LYS  19           HZ3      LYS  19  -8.089   9.522 -10.041
  149   2HZ   LYS  19           HZ2      LYS  19  -7.182  10.954 -10.164
  150   3HZ   LYS  19           HZ1      LYS  19  -6.718   9.572 -11.037
  151    H    LYS  20           HN       LYS  20  -3.421   4.855 -10.912
  152    HA   LYS  20           HA       LYS  20  -4.392   6.264 -13.155
  153   1HB   LYS  20           HB2      LYS  20  -2.206   4.246 -12.770
  154   2HB   LYS  20           HB1      LYS  20  -2.675   4.623 -14.423
  155   1HG   LYS  20           HG2      LYS  20  -2.156   6.896 -12.514
  156   2HG   LYS  20           HG1      LYS  20  -0.782   6.039 -13.206
  157   1HD   LYS  20           HD2      LYS  20  -1.710   6.462 -15.482
  158   2HD   LYS  20           HD1      LYS  20  -3.009   7.404 -14.749
  159   1HE   LYS  20           HE2      LYS  20  -1.291   8.896 -13.720
  160   2HE   LYS  20           HE1      LYS  20  -0.040   7.997 -14.576
  161   1HZ   LYS  20           HZ2      LYS  20  -2.296   9.050 -16.117
  162   2HZ   LYS  20           HZ1      LYS  20  -1.099  10.142 -15.600
  163   3HZ   LYS  20           HZ3      LYS  20  -0.678   8.824 -16.582
  164    H    ARG  21           HN       ARG  21  -5.048   3.100 -12.043
  165    HA   ARG  21           HA       ARG  21  -6.419   2.363 -14.578
  166   1HB   ARG  21           HB2      ARG  21  -5.974   0.857 -11.970
  167   2HB   ARG  21           HB1      ARG  21  -6.784   0.200 -13.391
  168   1HG   ARG  21           HG2      ARG  21  -4.751   0.431 -14.712
  169   2HG   ARG  21           HG1      ARG  21  -3.948   1.257 -13.387
  170   1HD   ARG  21           HD2      ARG  21  -3.343  -0.711 -12.427
  171   2HD   ARG  21           HD1      ARG  21  -4.998  -1.309 -12.454
  172    HE   ARG  21           HE       ARG  21  -2.876  -2.170 -14.145
  173   1HH1  ARG  21          HH21      ARG  21  -6.142  -1.084 -14.418
  174   2HH1  ARG  21          HH22      ARG  21  -6.403  -1.861 -15.941
  175   1HH2  ARG  21          HH11      ARG  21  -3.208  -3.188 -16.113
  176   2HH2  ARG  21          HH12      ARG  21  -4.744  -3.052 -16.901
  177    H    LYS  22           HN       LYS  22  -7.655   1.260 -11.559
  178    HA   LYS  22           HA       LYS  22  -9.533   3.462 -11.240
  179   1HB   LYS  22           HB2      LYS  22 -11.479   1.580 -11.354
  180   2HB   LYS  22           HB1      LYS  22 -11.007   2.523 -12.763
  181   1HG   LYS  22           HG2      LYS  22 -11.120   0.132 -13.315
  182   2HG   LYS  22           HG1      LYS  22  -9.469   0.725 -13.465
  183   1HD   LYS  22           HD2      LYS  22  -8.876  -0.222 -11.304
  184   2HD   LYS  22           HD1      LYS  22 -10.553  -0.676 -11.003
  185   1HE   LYS  22           HE2      LYS  22 -10.422  -2.100 -13.112
  186   2HE   LYS  22           HE1      LYS  22  -8.684  -1.807 -13.101
  187   1HZ   LYS  22           HZ3      LYS  22 -10.202  -2.978 -10.832
  188   2HZ   LYS  22           HZ2      LYS  22  -9.337  -3.886 -11.979
  189   3HZ   LYS  22           HZ1      LYS  22  -8.517  -2.812 -10.949
  190    H    LEU  23           HN       LEU  23  -7.854   2.972  -9.363
  191    HA   LEU  23           HA       LEU  23  -9.329   1.343  -7.316
  192   1HB   LEU  23           HB2      LEU  23  -6.353   1.387  -7.832
  193   2HB   LEU  23           HB1      LEU  23  -7.089   0.668  -6.405
  194    HG   LEU  23           HG       LEU  23  -7.623  -0.167  -9.272
  195   1HD1  LEU  23          HD13      LEU  23  -5.350  -0.716  -8.475
  196   2HD1  LEU  23          HD12      LEU  23  -6.038  -1.497  -7.049
  197   3HD1  LEU  23          HD11      LEU  23  -6.327  -2.173  -8.656
  198   1HD2  LEU  23          HD22      LEU  23  -8.746  -0.992  -6.599
  199   2HD2  LEU  23          HD21      LEU  23  -9.572  -0.809  -8.147
  200   3HD2  LEU  23          HD23      LEU  23  -8.557  -2.219  -7.851
  201    H    SER  24           HN       SER  24  -9.154   2.104  -5.193
  202    HA   SER  24           HA       SER  24  -7.539   4.504  -4.620
  203   1HB   SER  24           HB2      SER  24  -9.539   5.719  -3.713
  204   2HB   SER  24           HB1      SER  24  -9.583   5.523  -5.465
  205    HG   SER  24           HG       SER  24 -11.392   4.768  -3.729
  206    H    LEU  25           HN       LEU  25  -6.777   4.322  -2.512
  207    HA   LEU  25           HA       LEU  25  -7.102   2.042  -0.951
  208   1HB   LEU  25           HB2      LEU  25  -6.694   4.876   0.039
  209   2HB   LEU  25           HB1      LEU  25  -6.456   3.428   1.024
  210    HG   LEU  25           HG       LEU  25  -5.016   3.642  -1.617
  211   1HD1  LEU  25          HD12      LEU  25  -4.600   5.797  -0.451
  212   2HD1  LEU  25          HD11      LEU  25  -4.057   4.904   0.970
  213   3HD1  LEU  25          HD13      LEU  25  -3.147   4.801  -0.537
  214   1HD2  LEU  25          HD22      LEU  25  -5.020   1.577  -0.087
  215   2HD2  LEU  25          HD21      LEU  25  -3.437   2.189  -0.559
  216   3HD2  LEU  25          HD23      LEU  25  -4.077   2.543   1.046
  217    H    SER  26           HN       SER  26  -9.400   4.595  -1.408
  218    HA   SER  26           HA       SER  26 -10.933   4.024   1.006
  219   1HB   SER  26           HB2      SER  26 -11.215   6.220   0.148
  220   2HB   SER  26           HB1      SER  26 -11.468   5.631  -1.492
  221    HG   SER  26           HG       SER  26 -13.218   4.625   0.382
  222    H    ALA  27           HN       ALA  27 -11.008   2.993  -2.370
  223    HA   ALA  27           HA       ALA  27 -13.543   1.614  -2.155
  224   1HB   ALA  27           HB3      ALA  27 -11.249   1.475  -4.117
  225   2HB   ALA  27           HB2      ALA  27 -12.664   0.431  -4.262
  226   3HB   ALA  27           HB1      ALA  27 -12.845   2.183  -4.360
  227    H    LEU  28           HN       LEU  28 -10.139   0.574  -1.933
  228    HA   LEU  28           HA       LEU  28 -10.726  -2.198  -1.565
  229   1HB   LEU  28           HB2      LEU  28  -8.342  -1.161  -0.093
  230   2HB   LEU  28           HB1      LEU  28  -8.456  -2.477  -1.258
  231    HG   LEU  28           HG       LEU  28  -8.474   0.474  -1.963
  232   1HD1  LEU  28          HD12      LEU  28  -6.302  -0.297  -1.086
  233   2HD1  LEU  28          HD11      LEU  28  -6.309  -1.623  -2.250
  234   3HD1  LEU  28          HD13      LEU  28  -6.210   0.044  -2.813
  235   1HD2  LEU  28          HD22      LEU  28  -9.687  -1.108  -3.534
  236   2HD2  LEU  28          HD21      LEU  28  -8.318  -0.260  -4.254
  237   3HD2  LEU  28          HD23      LEU  28  -8.149  -1.945  -3.755
  238    H    SER  29           HN       SER  29 -10.575   0.517   0.683
  239    HA   SER  29           HA       SER  29 -10.704  -1.071   3.078
  240   1HB   SER  29           HB2      SER  29 -10.762   0.945   4.194
  241   2HB   SER  29           HB1      SER  29 -10.179   1.518   2.635
  242    HG   SER  29           HG       SER  29 -11.922   2.770   3.193
  243    H    ARG  30           HN       ARG  30 -13.280   0.799   1.400
  244    HA   ARG  30           HA       ARG  30 -15.358  -0.262   3.084
  245   1HB   ARG  30           HB2      ARG  30 -16.917   0.747   1.478
  246   2HB   ARG  30           HB1      ARG  30 -15.605   1.862   1.848
  247   1HG   ARG  30           HG2      ARG  30 -15.426   2.057  -0.432
  248   2HG   ARG  30           HG1      ARG  30 -14.541   0.543  -0.318
  249   1HD   ARG  30           HD2      ARG  30 -16.175   0.170  -1.997
  250   2HD   ARG  30           HD1      ARG  30 -16.837  -0.615  -0.562
  251    HE   ARG  30           HE       ARG  30 -17.902   1.918  -0.421
  252   1HH1  ARG  30          HH21      ARG  30 -17.669  -0.522  -2.841
  253   2HH1  ARG  30          HH22      ARG  30 -19.179  -0.116  -3.586
  254   1HH2  ARG  30          HH11      ARG  30 -19.870   2.466  -1.380
  255   2HH2  ARG  30          HH12      ARG  30 -20.424   1.580  -2.761
  256    H    GLN  31           HN       GLN  31 -13.730  -1.539   0.296
  257    HA   GLN  31           HA       GLN  31 -15.836  -3.263  -0.618
  258   1HB   GLN  31           HB2      GLN  31 -12.862  -3.138  -0.964
  259   2HB   GLN  31           HB1      GLN  31 -13.665  -4.646  -1.391
  260   1HG   GLN  31           HG2      GLN  31 -15.115  -3.508  -2.962
  261   2HG   GLN  31           HG1      GLN  31 -14.519  -1.930  -2.441
  262   1HE2  GLN  31          HE22      GLN  31 -12.532  -3.914  -5.307
  263   2HE2  GLN  31          HE21      GLN  31 -14.066  -4.380  -4.752
  264    H    PHE  32           HN       PHE  32 -13.411  -3.576   1.932
  265    HA   PHE  32           HA       PHE  32 -14.444  -6.316   2.568
  266   1HB   PHE  32           HB2      PHE  32 -11.904  -4.854   3.344
  267   2HB   PHE  32           HB1      PHE  32 -12.410  -6.363   4.107
  268    HD1  PHE  32           HD1      PHE  32 -11.676  -4.808   0.785
  269    HD2  PHE  32           HD2      PHE  32 -12.036  -8.463   3.042
  270    HE1  PHE  32           HE1      PHE  32 -10.814  -6.097  -1.161
  271    HE2  PHE  32           HE2      PHE  32 -11.164  -9.750   1.096
  272    HZ   PHE  32           HZ       PHE  32 -10.558  -8.566  -1.006
  273    H    GLY  33           HN       GLY  33 -14.291  -3.029   3.739
  274   1HA   GLY  33           HA2      GLY  33 -15.836  -2.124   5.321
  275   2HA   GLY  33           HA1      GLY  33 -16.203  -3.755   5.871
  276    H    TYR  34           HN       TYR  34 -12.871  -2.597   5.608
  277    HA   TYR  34           HA       TYR  34 -12.625  -2.960   8.555
  278   1HB   TYR  34           HB2      TYR  34 -10.609  -2.710   6.320
  279   2HB   TYR  34           HB1      TYR  34 -10.132  -2.592   8.011
  280    HD1  TYR  34           HD2      TYR  34 -11.342  -4.553   9.551
  281    HD2  TYR  34           HD1      TYR  34 -10.352  -4.823   5.358
  282    HE1  TYR  34           HE2      TYR  34 -11.340  -7.032   9.707
  283    HE2  TYR  34           HE1      TYR  34 -10.345  -7.302   5.526
  284    HH   TYR  34           HH       TYR  34 -10.277  -8.958   8.446
  285    H    ALA  35           HN       ALA  35 -13.725  -0.533   6.918
  286    HA   ALA  35           HA       ALA  35 -13.947   1.713   7.486
  287   1HB   ALA  35           HB2      ALA  35 -13.073   0.783   9.814
  288   2HB   ALA  35           HB1      ALA  35 -11.605   1.650   9.365
  289   3HB   ALA  35           HB3      ALA  35 -13.135   2.518   9.511
  290    HA   PRO  36           HA       PRO  36 -10.883   3.222   4.622
  291   1HB   PRO  36           HB2      PRO  36 -11.124   5.991   5.257
  292   2HB   PRO  36           HB1      PRO  36 -12.001   5.122   3.988
  293   1HG   PRO  36           HG2      PRO  36 -13.001   6.079   6.590
  294   2HG   PRO  36           HG1      PRO  36 -13.922   5.524   5.182
  295   1HD   PRO  36           HD2      PRO  36 -13.541   4.082   7.606
  296   2HD   PRO  36           HD1      PRO  36 -14.200   3.438   6.084
  297    H    THR  37           HN       THR  37 -10.826   3.860   8.021
  298    HA   THR  37           HA       THR  37  -8.239   5.164   8.096
  299    HB   THR  37           HB       THR  37  -8.364   4.890  10.489
  300    HG1  THR  37           HG1      THR  37 -10.401   3.009   9.894
  301   1HG2  THR  37          HG22      THR  37  -9.933   6.509   9.450
  302   2HG2  THR  37          HG21      THR  37 -11.166   5.250   9.393
  303   3HG2  THR  37          HG23      THR  37 -10.570   5.834  10.949
  304    H    THR  38           HN       THR  38  -9.331   1.788   8.285
  305    HA   THR  38           HA       THR  38  -6.915   0.637   9.223
  306    HB   THR  38           HB       THR  38  -9.033  -0.421   7.336
  307    HG1  THR  38           HG1      THR  38  -8.730  -0.178   9.979
  308   1HG2  THR  38          HG21      THR  38  -6.416  -1.627   8.158
  309   2HG2  THR  38          HG23      THR  38  -7.830  -2.679   8.167
  310   3HG2  THR  38          HG22      THR  38  -7.348  -1.868   6.680
  311    H    LEU  39           HN       LEU  39  -7.915   0.749   5.782
  312    HA   LEU  39           HA       LEU  39  -5.481  -0.028   4.679
  313   1HB   LEU  39           HB2      LEU  39  -7.918   1.232   3.749
  314   2HB   LEU  39           HB1      LEU  39  -6.560   1.986   2.937
  315    HG   LEU  39           HG       LEU  39  -7.318   0.151   1.587
  316   1HD1  LEU  39          HD11      LEU  39  -4.709   0.441   2.287
  317   2HD1  LEU  39          HD13      LEU  39  -4.951  -1.236   2.788
  318   3HD1  LEU  39          HD12      LEU  39  -5.262  -0.759   1.122
  319   1HD2  LEU  39          HD21      LEU  39  -8.446  -1.036   3.515
  320   2HD2  LEU  39          HD23      LEU  39  -7.601  -2.099   2.395
  321   3HD2  LEU  39          HD22      LEU  39  -6.881  -1.704   3.953
  322    H    ALA  40           HN       ALA  40  -6.476   3.330   5.409
  323    HA   ALA  40           HA       ALA  40  -4.111   4.599   4.532
  324   1HB   ALA  40           HB2      ALA  40  -6.115   5.833   5.277
  325   2HB   ALA  40           HB1      ALA  40  -5.816   5.317   6.936
  326   3HB   ALA  40           HB3      ALA  40  -4.675   6.391   6.130
  327    H    ASN  41           HN       ASN  41  -4.840   3.685   7.922
  328    HA   ASN  41           HA       ASN  41  -2.230   4.114   8.932
  329   1HB   ASN  41           HB2      ASN  41  -4.132   1.974   9.924
  330   2HB   ASN  41           HB1      ASN  41  -2.903   2.839  10.852
  331   1HD2  ASN  41          HD22      ASN  41  -5.993   4.600  11.712
  332   2HD2  ASN  41          HD21      ASN  41  -5.206   3.141  12.079
  333    H    ALA  42           HN       ALA  42  -3.311   1.624   6.824
  334    HA   ALA  42           HA       ALA  42  -1.477  -0.435   7.690
  335   1HB   ALA  42           HB1      ALA  42  -3.562  -0.765   6.265
  336   2HB   ALA  42           HB3      ALA  42  -2.626  -0.128   4.913
  337   3HB   ALA  42           HB2      ALA  42  -2.118  -1.614   5.714
  338    H    LEU  43           HN       LEU  43  -0.839   2.524   6.317
  339    HA   LEU  43           HA       LEU  43   1.338   1.613   4.553
  340   1HB   LEU  43           HB2      LEU  43   0.631   4.421   5.453
  341   2HB   LEU  43           HB1      LEU  43   1.713   3.990   4.129
  342    HG   LEU  43           HG       LEU  43  -1.212   3.195   4.236
  343   1HD1  LEU  43          HD13      LEU  43   0.110   5.495   2.763
  344   2HD1  LEU  43          HD12      LEU  43  -1.578   5.008   2.599
  345   3HD1  LEU  43          HD11      LEU  43  -0.989   5.647   4.136
  346   1HD2  LEU  43          HD22      LEU  43   0.988   2.998   2.167
  347   2HD2  LEU  43          HD21      LEU  43  -0.101   1.734   2.738
  348   3HD2  LEU  43          HD23      LEU  43  -0.708   3.010   1.685
  349    H    GLU  44           HN       GLU  44   0.961   2.419   7.895
  350    HA   GLU  44           HA       GLU  44   3.943   2.389   8.202
  351   1HB   GLU  44           HB2      GLU  44   3.768   4.099   9.948
  352   2HB   GLU  44           HB1      GLU  44   3.127   4.702   8.422
  353   1HG   GLU  44           HG2      GLU  44   1.367   5.335   9.778
  354   2HG   GLU  44           HG1      GLU  44   0.837   3.690   9.444
  355    H    ARG  45           HN       ARG  45   0.791   1.592   9.582
  356    HA   ARG  45           HA       ARG  45   1.908   0.531  12.041
  357   1HB   ARG  45           HB2      ARG  45  -0.787   0.197  10.702
  358   2HB   ARG  45           HB1      ARG  45  -0.385  -0.537  12.257
  359   1HG   ARG  45           HG2      ARG  45   0.248   1.799  13.059
  360   2HG   ARG  45           HG1      ARG  45  -0.495   2.409  11.578
  361   1HD   ARG  45           HD2      ARG  45  -1.789   1.013  13.907
  362   2HD   ARG  45           HD1      ARG  45  -2.285   2.493  13.085
  363    HE   ARG  45           HE       ARG  45  -2.535   0.549  11.132
  364   1HH1  ARG  45          HH21      ARG  45  -3.617   0.991  14.374
  365   2HH1  ARG  45          HH22      ARG  45  -5.077   0.085  14.151
  366   1HH2  ARG  45          HH11      ARG  45  -4.431  -0.640  10.822
  367   2HH2  ARG  45          HH12      ARG  45  -5.538  -0.838  12.140
  368    H    HIS  46           HN       HIS  46   2.239  -1.648  12.600
  369    HA   HIS  46           HA       HIS  46   3.186  -3.357  10.467
  370   1HB   HIS  46           HB2      HIS  46   3.309  -5.066  12.410
  371   2HB   HIS  46           HB1      HIS  46   4.311  -3.619  12.526
  372    HD1  HIS  46           HD1      HIS  46   0.768  -2.887  13.072
  373    HD2  HIS  46           HD2      HIS  46   3.979  -4.103  15.439
  374    HE1  HIS  46           HE1      HIS  46   0.097  -2.442  15.472
  375    H    TRP  47           HN       TRP  47   1.677  -4.170   9.090
  376    HA   TRP  47           HA       TRP  47  -0.152  -6.197  10.021
  377   1HB   TRP  47           HB2      TRP  47  -1.462  -4.185  10.639
  378   2HB   TRP  47           HB1      TRP  47  -1.362  -3.618   8.971
  379    HD1  TRP  47           HD1      TRP  47  -2.231  -7.092  10.465
  380    HE1  TRP  47           HE1      TRP  47  -4.415  -7.899   9.373
  381    HE3  TRP  47           HE3      TRP  47  -3.286  -3.045   7.519
  382    HZ2  TRP  47           HZ2      TRP  47  -6.358  -6.967   7.486
  383    HZ3  TRP  47           HZ3      TRP  47  -5.314  -3.032   6.079
  384    HH2  TRP  47           HH2      TRP  47  -6.852  -4.987   6.067
  385    HA   PRO  48           HA       PRO  48   1.687  -6.230   5.715
  386   1HB   PRO  48           HB2      PRO  48   1.928  -9.127   6.214
  387   2HB   PRO  48           HB1      PRO  48   3.183  -7.958   5.771
  388   1HG   PRO  48           HG2      PRO  48   2.868  -9.105   8.322
  389   2HG   PRO  48           HG1      PRO  48   3.820  -7.654   7.961
  390   1HD   PRO  48           HD2      PRO  48   1.231  -7.861   9.348
  391   2HD   PRO  48           HD1      PRO  48   2.345  -6.470   9.269
  392    H    LYS  49           HN       LYS  49  -1.050  -7.796   7.202
  393    HA   LYS  49           HA       LYS  49  -1.922  -9.160   4.790
  394   1HB   LYS  49           HB2      LYS  49  -2.802  -9.982   6.867
  395   2HB   LYS  49           HB1      LYS  49  -3.342  -8.383   7.348
  396   1HG   LYS  49           HG2      LYS  49  -5.232  -9.795   6.608
  397   2HG   LYS  49           HG1      LYS  49  -5.047  -8.385   5.580
  398   1HD   LYS  49           HD2      LYS  49  -5.478 -10.443   4.271
  399   2HD   LYS  49           HD1      LYS  49  -3.913  -9.753   3.871
  400   1HE   LYS  49           HE2      LYS  49  -4.040 -12.305   4.269
  401   2HE   LYS  49           HE1      LYS  49  -2.743 -11.426   5.077
  402   1HZ   LYS  49           HZ3      LYS  49  -4.186 -11.288   7.054
  403   2HZ   LYS  49           HZ2      LYS  49  -5.344 -12.245   6.262
  404   3HZ   LYS  49           HZ1      LYS  49  -3.815 -12.887   6.631
  405    H    GLY  50           HN       GLY  50  -1.961  -5.898   5.864
  406   1HA   GLY  50           HA2      GLY  50  -4.224  -5.042   4.198
  407   2HA   GLY  50           HA1      GLY  50  -3.099  -3.979   5.049
  408    H    GLU  51           HN       GLU  51  -0.751  -5.384   3.906
  409    HA   GLU  51           HA       GLU  51  -0.469  -3.782   1.511
  410   1HB   GLU  51           HB2      GLU  51   1.308  -6.108   2.291
  411   2HB   GLU  51           HB1      GLU  51   1.744  -4.667   1.376
  412   1HG   GLU  51           HG2      GLU  51   0.857  -4.591   4.277
  413   2HG   GLU  51           HG1      GLU  51   2.543  -4.670   3.777
  414    H    GLN  52           HN       GLN  52  -1.096  -7.202   2.183
  415    HA   GLN  52           HA       GLN  52  -0.875  -8.166  -0.492
  416   1HB   GLN  52           HB2      GLN  52  -2.544  -9.104   1.853
  417   2HB   GLN  52           HB1      GLN  52  -2.453  -9.977   0.323
  418   1HG   GLN  52           HG2      GLN  52   0.041 -10.041   0.576
  419   2HG   GLN  52           HG1      GLN  52  -0.150  -9.333   2.181
  420   1HE2  GLN  52          HE22      GLN  52  -0.333 -13.240   1.995
  421   2HE2  GLN  52          HE21      GLN  52   0.552 -12.215   0.974
  422    H    ILE  53           HN       ILE  53  -3.609  -6.718   1.291
  423    HA   ILE  53           HA       ILE  53  -5.635  -7.166  -0.632
  424    HB   ILE  53           HB       ILE  53  -5.182  -4.741   1.134
  425   1HG1  ILE  53          HG12      ILE  53  -7.062  -7.096   1.495
  426   2HG1  ILE  53          HG11      ILE  53  -5.452  -7.032   2.211
  427   1HG2  ILE  53          HG22      ILE  53  -7.603  -5.638  -0.455
  428   2HG2  ILE  53          HG21      ILE  53  -7.660  -4.411   0.805
  429   3HG2  ILE  53          HG23      ILE  53  -6.710  -4.129  -0.650
  430   1HD1  ILE  53          HD12      ILE  53  -6.300  -4.684   3.135
  431   2HD1  ILE  53          HD11      ILE  53  -7.890  -5.400   2.878
  432   3HD1  ILE  53          HD13      ILE  53  -6.738  -6.176   3.961
  433    H    ILE  54           HN       ILE  54  -3.474  -4.325  -0.346
  434    HA   ILE  54           HA       ILE  54  -4.326  -3.089  -2.776
  435    HB   ILE  54           HB       ILE  54  -1.705  -2.891  -1.260
  436   1HG1  ILE  54          HG12      ILE  54  -3.944  -0.866  -1.328
  437   2HG1  ILE  54          HG11      ILE  54  -4.023  -2.232  -0.216
  438   1HG2  ILE  54          HG22      ILE  54  -2.756  -1.507  -3.712
  439   2HG2  ILE  54          HG21      ILE  54  -1.820  -0.552  -2.571
  440   3HG2  ILE  54          HG23      ILE  54  -1.106  -1.978  -3.315
  441   1HD1  ILE  54          HD11      ILE  54  -1.836  -1.595   0.738
  442   2HD1  ILE  54          HD13      ILE  54  -1.750  -0.213  -0.345
  443   3HD1  ILE  54          HD12      ILE  54  -2.995  -0.283   0.890
  444    H    ALA  55           HN       ALA  55  -1.302  -4.945  -2.157
  445    HA   ALA  55           HA       ALA  55  -0.399  -4.948  -4.841
  446   1HB   ALA  55           HB3      ALA  55   0.923  -5.684  -2.842
  447   2HB   ALA  55           HB2      ALA  55  -0.020  -7.172  -2.817
  448   3HB   ALA  55           HB1      ALA  55   1.019  -6.809  -4.196
  449    H    ASN  56           HN       ASN  56  -2.628  -7.122  -3.171
  450    HA   ASN  56           HA       ASN  56  -2.866  -9.131  -5.143
  451   1HB   ASN  56           HB2      ASN  56  -3.925  -9.375  -2.966
  452   2HB   ASN  56           HB1      ASN  56  -4.977  -7.993  -3.282
  453   1HD2  ASN  56          HD22      ASN  56  -7.344 -10.382  -4.408
  454   2HD2  ASN  56          HD21      ASN  56  -6.960  -9.240  -3.213
  455    H    ALA  57           HN       ALA  57  -4.224  -5.893  -4.987
  456    HA   ALA  57           HA       ALA  57  -6.121  -6.184  -7.112
  457   1HB   ALA  57           HB1      ALA  57  -5.876  -4.265  -5.395
  458   2HB   ALA  57           HB3      ALA  57  -4.669  -3.609  -6.503
  459   3HB   ALA  57           HB2      ALA  57  -6.334  -3.835  -7.039
  460    H    LEU  58           HN       LEU  58  -2.660  -5.354  -7.121
  461    HA   LEU  58           HA       LEU  58  -2.707  -5.013 -10.069
  462   1HB   LEU  58           HB2      LEU  58  -0.545  -4.745  -7.967
  463   2HB   LEU  58           HB1      LEU  58  -0.206  -4.638  -9.687
  464    HG   LEU  58           HG       LEU  58  -2.319  -2.905  -8.391
  465   1HD1  LEU  58          HD12      LEU  58   0.659  -2.370  -8.675
  466   2HD1  LEU  58          HD11      LEU  58  -0.532  -1.139  -8.260
  467   3HD1  LEU  58          HD13      LEU  58  -0.245  -2.493  -7.167
  468   1HD2  LEU  58          HD23      LEU  58  -0.678  -2.769 -10.949
  469   2HD2  LEU  58          HD22      LEU  58  -2.432  -2.864 -10.800
  470   3HD2  LEU  58          HD21      LEU  58  -1.587  -1.393 -10.332
  471    H    GLU  59           HN       GLU  59  -2.935  -7.631  -8.278
  472    HA   GLU  59           HA       GLU  59  -2.216  -9.858  -8.479
  473   1HB   GLU  59           HB2      GLU  59  -1.456  -8.967 -11.278
  474   2HB   GLU  59           HB1      GLU  59  -1.764 -10.618 -10.748
  475   1HG   GLU  59           HG2      GLU  59  -4.100 -10.025 -10.226
  476   2HG   GLU  59           HG1      GLU  59  -3.797  -8.367 -10.747
  477    H    THR  60           HN       THR  60  -0.254  -7.644  -7.725
  478    HA   THR  60           HA       THR  60   2.292  -9.015  -8.526
  479    HB   THR  60           HB       THR  60   1.940  -6.511  -9.048
  480    HG1  THR  60           HG1      THR  60   3.968  -7.258  -9.178
  481   1HG2  THR  60          HG23      THR  60   1.014  -6.112  -6.657
  482   2HG2  THR  60          HG22      THR  60   2.704  -6.138  -6.151
  483   3HG2  THR  60          HG21      THR  60   2.151  -4.925  -7.305
  484    H    LYS  61           HN       LYS  61   4.000  -8.313  -6.595
  485    HA   LYS  61           HA       LYS  61   2.870  -9.631  -4.180
  486   1HB   LYS  61           HB2      LYS  61   5.734  -9.134  -5.035
  487   2HB   LYS  61           HB1      LYS  61   5.252 -10.009  -3.582
  488   1HG   LYS  61           HG2      LYS  61   4.288 -11.780  -4.834
  489   2HG   LYS  61           HG1      LYS  61   4.297 -10.841  -6.325
  490   1HD   LYS  61           HD2      LYS  61   6.927 -11.362  -4.959
  491   2HD   LYS  61           HD1      LYS  61   6.177 -12.677  -5.861
  492   1HE   LYS  61           HE2      LYS  61   6.122 -11.341  -7.882
  493   2HE   LYS  61           HE1      LYS  61   6.688  -9.918  -7.009
  494   1HZ   LYS  61           HZ2      LYS  61   8.506 -11.915  -6.459
  495   2HZ   LYS  61           HZ1      LYS  61   8.193 -12.046  -8.124
  496   3HZ   LYS  61           HZ3      LYS  61   8.737 -10.575  -7.478
  497    HA   PRO  62           HA       PRO  62   3.070  -5.765  -1.979
  498   1HB   PRO  62           HB2      PRO  62   3.989  -6.812   0.524
  499   2HB   PRO  62           HB1      PRO  62   2.310  -6.500   0.056
  500   1HG   PRO  62           HG2      PRO  62   3.692  -9.085   0.291
  501   2HG   PRO  62           HG1      PRO  62   1.959  -8.766   0.117
  502   1HD   PRO  62           HD2      PRO  62   3.682  -9.801  -1.893
  503   2HD   PRO  62           HD1      PRO  62   2.022  -9.215  -2.128
  504    H    GLU  63           HN       GLU  63   5.767  -8.031  -1.836
  505    HA   GLU  63           HA       GLU  63   7.775  -6.324  -0.790
  506   1HB   GLU  63           HB2      GLU  63   7.916  -8.585  -2.798
  507   2HB   GLU  63           HB1      GLU  63   9.348  -7.784  -2.156
  508   1HG   GLU  63           HG2      GLU  63   8.951  -9.735  -0.811
  509   2HG   GLU  63           HG1      GLU  63   8.509  -8.331   0.161
  510    H    VAL  64           HN       VAL  64   5.942  -5.829  -3.524
  511    HA   VAL  64           HA       VAL  64   8.104  -4.577  -5.131
  512    HB   VAL  64           HB       VAL  64   5.135  -4.939  -5.634
  513   1HG1  VAL  64          HG13      VAL  64   7.345  -3.745  -7.325
  514   2HG1  VAL  64          HG12      VAL  64   5.817  -4.307  -8.002
  515   3HG1  VAL  64          HG11      VAL  64   5.832  -2.983  -6.836
  516   1HG2  VAL  64          HG23      VAL  64   6.525  -7.017  -5.647
  517   2HG2  VAL  64          HG22      VAL  64   5.869  -6.634  -7.240
  518   3HG2  VAL  64          HG21      VAL  64   7.559  -6.284  -6.873
  519    H    ILE  65           HN       ILE  65   5.204  -3.654  -3.288
  520    HA   ILE  65           HA       ILE  65   5.597  -0.811  -3.972
  521    HB   ILE  65           HB       ILE  65   3.573  -2.240  -2.244
  522   1HG1  ILE  65          HG12      ILE  65   2.961  -0.712  -4.766
  523   2HG1  ILE  65          HG11      ILE  65   3.684  -2.314  -4.914
  524   1HG2  ILE  65          HG23      ILE  65   3.861   0.692  -2.936
  525   2HG2  ILE  65          HG22      ILE  65   2.383  -0.014  -2.288
  526   3HG2  ILE  65          HG21      ILE  65   3.856  -0.024  -1.324
  527   1HD1  ILE  65          HD12      ILE  65   1.225  -1.807  -3.220
  528   2HD1  ILE  65          HD11      ILE  65   1.132  -2.252  -4.925
  529   3HD1  ILE  65          HD13      ILE  65   1.869  -3.356  -3.762
  530    H    TRP  66           HN       TRP  66   6.631  -2.994  -1.498
  531    HA   TRP  66           HA       TRP  66   7.683  -0.661   0.073
  532   1HB   TRP  66           HB2      TRP  66   6.326  -3.145   1.156
  533   2HB   TRP  66           HB1      TRP  66   7.266  -2.034   2.150
  534    HD1  TRP  66           HD1      TRP  66   6.366   0.495   2.354
  535    HE1  TRP  66           HE1      TRP  66   3.991   1.473   2.127
  536    HE3  TRP  66           HE3      TRP  66   4.047  -3.422   0.036
  537    HZ2  TRP  66           HZ2      TRP  66   1.428   0.690   1.089
  538    HZ3  TRP  66           HZ3      TRP  66   1.637  -3.284  -0.562
  539    HH2  TRP  66           HH2      TRP  66   0.331  -1.237  -0.042
  540    HA   PRO  67           HA       PRO  67  10.939  -3.883  -0.947
  541   1HB   PRO  67           HB2      PRO  67  12.640  -2.006  -2.210
  542   2HB   PRO  67           HB1      PRO  67  11.579  -3.161  -3.036
  543   1HG   PRO  67           HG2      PRO  67  11.252  -0.242  -2.745
  544   2HG   PRO  67           HG1      PRO  67  10.435  -1.346  -3.860
  545   1HD   PRO  67           HD2      PRO  67   9.317  -0.170  -1.506
  546   2HD   PRO  67           HD1      PRO  67   8.591  -1.436  -2.516
  547    H    SER  68           HN       SER  68  11.338  -0.455  -0.015
  548    HA   SER  68           HA       SER  68  13.834  -0.788   1.335
  549   1HB   SER  68           HB2      SER  68  11.644   1.272   1.548
  550   2HB   SER  68           HB1      SER  68  13.125   1.378   2.495
  551    HG   SER  68           HG       SER  68  14.293   1.388   0.562
  552    H    ARG  69           HN       ARG  69  10.915  -2.133   2.203
  553    HA   ARG  69           HA       ARG  69  11.511  -1.966   5.143
  554   1HB   ARG  69           HB2      ARG  69   8.997  -2.595   3.586
  555   2HB   ARG  69           HB1      ARG  69   9.154  -3.032   5.287
  556   1HG   ARG  69           HG2      ARG  69   9.742  -0.621   5.764
  557   2HG   ARG  69           HG1      ARG  69   9.344  -0.248   4.093
  558   1HD   ARG  69           HD2      ARG  69   7.066  -0.854   4.389
  559   2HD   ARG  69           HD1      ARG  69   7.381  -1.660   5.918
  560    HE   ARG  69           HE       ARG  69   6.745   1.130   5.512
  561   1HH1  ARG  69          HH21      ARG  69   8.842  -0.898   7.368
  562   2HH1  ARG  69          HH22      ARG  69   9.149   0.315   8.565
  563   1HH2  ARG  69          HH11      ARG  69   7.136   2.697   7.067
  564   2HH2  ARG  69          HH12      ARG  69   8.183   2.337   8.400
  565    H    TYR  70           HN       TYR  70  11.456  -4.072   2.395
  566    HA   TYR  70           HA       TYR  70  11.835  -6.485   4.150
  567   1HB   TYR  70           HB2      TYR  70  10.954  -6.099   1.278
  568   2HB   TYR  70           HB1      TYR  70  11.547  -7.660   1.835
  569    HD1  TYR  70           HD2      TYR  70  10.457  -8.670   3.979
  570    HD2  TYR  70           HD1      TYR  70   8.727  -5.495   1.655
  571    HE1  TYR  70           HE2      TYR  70   8.232  -9.151   4.983
  572    HE2  TYR  70           HE1      TYR  70   6.495  -5.963   2.657
  573    HH   TYR  70           HH       TYR  70   5.667  -8.689   4.084
  574    H    GLN  71           HN       GLN  71  13.272  -8.055   2.344
  575    HA   GLN  71           HA       GLN  71  15.611  -6.552   1.400
  576   1HB   GLN  71           HB2      GLN  71  15.831  -6.914   3.955
  577   2HB   GLN  71           HB1      GLN  71  16.077  -8.614   3.560
  578   1HG   GLN  71           HG2      GLN  71  17.931  -7.879   1.993
  579   2HG   GLN  71           HG1      GLN  71  17.757  -6.258   2.659
  580   1HE2  GLN  71          HE22      GLN  71  20.171  -7.269   5.054
  581   2HE2  GLN  71          HE21      GLN  71  19.848  -6.271   3.719
  582    H    ALA  72           HN       ALA  72  13.706  -8.284   0.148
  583    HA   ALA  72           HA       ALA  72  13.766  -9.956  -1.489
  584   1HB   ALA  72           HB3      ALA  72  16.305  -9.149  -1.513
  585   2HB   ALA  72           HB2      ALA  72  16.582 -10.729  -0.780
  586   3HB   ALA  72           HB1      ALA  72  15.816 -10.613  -2.365
  587    H    GLY  73           HN       GLY  73  15.845 -11.060   1.204
  588   1HA   GLY  73           HA2      GLY  73  14.667 -13.706   1.188
  589   2HA   GLY  73           HA1      GLY  73  15.757 -13.073   2.421
  590    H    GLU  74           HN       GLU  74  12.628 -14.073   1.877
  591    HA   GLU  74           HA       GLU  74  11.369 -12.253   3.849
  592   1HB   GLU  74           HB2      GLU  74   9.306 -13.445   3.305
  593   2HB   GLU  74           HB1      GLU  74  10.122 -12.989   1.810
  594   1HG   GLU  74           HG2      GLU  74  11.204 -15.311   1.868
  595   2HG   GLU  74           HG1      GLU  74  10.028 -15.711   3.120
   
  No H/Q in entry =         595
  Start of MODEL          27
 Raw file had  612 H/Q atoms
  Start of MODEL   27
    1   1H    CYS   1           HT1      CYS   1  10.077  16.039   6.591
    2   2H    CYS   1           HT3      CYS   1  10.701  17.522   7.125
    3   3H    CYS   1           HT2      CYS   1  11.743  16.349   6.476
    4    HA   CYS   1           HA       CYS   1  12.112  16.086   8.717
    5   1HB   CYS   1           HB2      CYS   1   9.122  16.462   9.082
    6   2HB   CYS   1           HB1      CYS   1  10.287  16.198  10.380
    7    HG   CYS   1           HG       CYS   1  10.966  18.618   8.627
    8    H    SER   2           HN       SER   2  10.783  14.309  10.357
    9    HA   SER   2           HA       SER   2  10.540  11.978  10.555
   10   1HB   SER   2           HB2      SER   2   8.676  11.079   9.310
   11   2HB   SER   2           HB1      SER   2   8.284  12.745   9.722
   12    HG   SER   2           HG       SER   2   8.205  11.745   7.371
   13    H    ASN   3           HN       ASN   3  10.082  10.078   8.433
   14    HA   ASN   3           HA       ASN   3  12.428  10.369   6.639
   15   1HB   ASN   3           HB2      ASN   3  13.193   9.250   8.774
   16   2HB   ASN   3           HB1      ASN   3  12.074   7.937   8.410
   17   1HD2  ASN   3          HD22      ASN   3  15.511   7.241   6.939
   18   2HD2  ASN   3          HD21      ASN   3  15.019   7.706   8.497
   19    H    GLU   4           HN       GLU   4   9.492   8.686   7.601
   20    HA   GLU   4           HA       GLU   4   9.245   6.733   5.623
   21   1HB   GLU   4           HB2      GLU   4   6.783   7.115   5.760
   22   2HB   GLU   4           HB1      GLU   4   7.536   7.048   7.354
   23   1HG   GLU   4           HG2      GLU   4   7.699   9.587   7.252
   24   2HG   GLU   4           HG1      GLU   4   6.659   9.512   5.828
   25    H    LYS   5           HN       LYS   5   7.722   6.942   3.626
   26    HA   LYS   5           HA       LYS   5   7.515   7.796   1.448
   27   1HB   LYS   5           HB2      LYS   5   6.072   9.405   2.662
   28   2HB   LYS   5           HB1      LYS   5   7.476  10.427   2.963
   29   1HG   LYS   5           HG2      LYS   5   7.741  10.938   0.660
   30   2HG   LYS   5           HG1      LYS   5   6.682   9.619   0.164
   31   1HD   LYS   5           HD2      LYS   5   5.574  11.855   0.011
   32   2HD   LYS   5           HD1      LYS   5   4.745  10.756   1.115
   33   1HE   LYS   5           HE2      LYS   5   6.844  12.680   2.117
   34   2HE   LYS   5           HE1      LYS   5   5.166  13.181   1.922
   35   1HZ   LYS   5           HZ3      LYS   5   5.023  10.773   3.208
   36   2HZ   LYS   5           HZ2      LYS   5   6.342  11.551   3.944
   37   3HZ   LYS   5           HZ1      LYS   5   4.818  12.302   3.913
   38    H    ALA   6           HN       ALA   6   9.813   7.080   1.116
   39    HA   ALA   6           HA       ALA   6  11.386   9.239   0.003
   40   1HB   ALA   6           HB3      ALA   6  11.906   9.475   2.443
   41   2HB   ALA   6           HB2      ALA   6  12.543   7.831   2.422
   42   3HB   ALA   6           HB1      ALA   6  13.320   9.090   1.464
   43    H    ARG   7           HN       ARG   7  11.502   5.902   1.247
   44    HA   ARG   7           HA       ARG   7  13.317   5.134  -0.982
   45   1HB   ARG   7           HB2      ARG   7  12.265   3.256   1.137
   46   2HB   ARG   7           HB1      ARG   7  13.765   3.150   0.219
   47   1HG   ARG   7           HG2      ARG   7  13.126   5.237   2.317
   48   2HG   ARG   7           HG1      ARG   7  14.148   3.824   2.561
   49   1HD   ARG   7           HD2      ARG   7  15.279   4.973   0.301
   50   2HD   ARG   7           HD1      ARG   7  14.793   6.388   1.228
   51    HE   ARG   7           HE       ARG   7  17.084   4.875   1.762
   52   1HH1  ARG   7          HH21      ARG   7  14.229   5.791   3.480
   53   2HH1  ARG   7          HH22      ARG   7  14.961   5.621   5.034
   54   1HH2  ARG   7          HH11      ARG   7  18.043   4.669   3.782
   55   2HH2  ARG   7          HH12      ARG   7  17.114   4.990   5.208
   56    H    ASP   8           HN       ASP   8  10.406   3.774   0.531
   57    HA   ASP   8           HA       ASP   8   9.731   2.109  -1.698
   58   1HB   ASP   8           HB2      ASP   8   7.876   3.143   0.460
   59   2HB   ASP   8           HB1      ASP   8   7.686   1.664  -0.487
   60    H    TRP   9           HN       TRP   9   7.138   2.423  -2.243
   61    HA   TRP   9           HA       TRP   9   7.046   4.480  -4.245
   62   1HB   TRP   9           HB2      TRP   9   4.920   2.729  -2.963
   63   2HB   TRP   9           HB1      TRP   9   4.583   3.825  -4.289
   64    HD1  TRP   9           HD1      TRP   9   7.624   1.443  -3.852
   65    HE1  TRP   9           HE1      TRP   9   7.743  -0.080  -5.920
   66    HE3  TRP   9           HE3      TRP   9   3.373   2.922  -6.282
   67    HZ2  TRP   9           HZ2      TRP   9   6.219  -0.647  -8.274
   68    HZ3  TRP   9           HZ3      TRP   9   2.713   1.851  -8.429
   69    HH2  TRP   9           HH2      TRP   9   4.135   0.065  -9.423
   70    H    HIS  10           HN       HIS  10   6.916   6.637  -3.679
   71    HA   HIS  10           HA       HIS  10   6.279   7.794  -1.246
   72   1HB   HIS  10           HB2      HIS  10   5.340   8.963  -3.882
   73   2HB   HIS  10           HB1      HIS  10   5.786   9.840  -2.417
   74    HD1  HIS  10           HD1      HIS  10   8.219   7.317  -2.528
   75    HD2  HIS  10           HD2      HIS  10   7.645  10.778  -4.778
   76    HE1  HIS  10           HE1      HIS  10  10.456   7.867  -3.580
   77    H    ARG  11           HN       ARG  11   4.301   8.719  -0.356
   78    HA   ARG  11           HA       ARG  11   2.054   7.035  -0.331
   79   1HB   ARG  11           HB2      ARG  11   2.255  10.018   0.167
   80   2HB   ARG  11           HB1      ARG  11   0.798   9.080   0.490
   81   1HG   ARG  11           HG2      ARG  11   2.003   7.666   2.070
   82   2HG   ARG  11           HG1      ARG  11   3.520   8.480   1.686
   83   1HD   ARG  11           HD2      ARG  11   2.830  10.501   2.711
   84   2HD   ARG  11           HD1      ARG  11   1.134  10.018   2.716
   85    HE   ARG  11           HE       ARG  11   2.376   8.111   4.299
   86   1HH1  ARG  11          HH21      ARG  11   2.189  11.558   4.192
   87   2HH1  ARG  11          HH22      ARG  11   2.377  11.750   5.904
   88   1HH2  ARG  11          HH11      ARG  11   2.614   8.343   6.526
   89   2HH2  ARG  11          HH12      ARG  11   2.619   9.927   7.228
   90    H    ALA  12           HN       ALA  12   2.948   9.530  -2.610
   91    HA   ALA  12           HA       ALA  12   0.312   9.555  -3.925
   92   1HB   ALA  12           HB2      ALA  12   2.977  10.863  -4.518
   93   2HB   ALA  12           HB1      ALA  12   1.602  10.985  -5.616
   94   3HB   ALA  12           HB3      ALA  12   1.488  11.638  -3.981
   95    H    ASP  13           HN       ASP  13   3.438   7.991  -4.304
   96    HA   ASP  13           HA       ASP  13   3.001   7.063  -7.003
   97   1HB   ASP  13           HB2      ASP  13   4.770   6.106  -4.757
   98   2HB   ASP  13           HB1      ASP  13   4.762   5.339  -6.345
   99    H    VAL  14           HN       VAL  14   1.916   6.090  -3.876
  100    HA   VAL  14           HA       VAL  14   1.126   3.388  -4.634
  101    HB   VAL  14           HB       VAL  14   0.447   5.173  -2.279
  102   1HG1  VAL  14          HG11      VAL  14  -0.466   2.363  -2.924
  103   2HG1  VAL  14          HG13      VAL  14  -0.444   2.996  -1.277
  104   3HG1  VAL  14          HG12      VAL  14  -1.460   3.758  -2.500
  105   1HG2  VAL  14          HG23      VAL  14   2.771   4.234  -2.478
  106   2HG2  VAL  14          HG22      VAL  14   1.905   3.687  -1.042
  107   3HG2  VAL  14          HG21      VAL  14   2.066   2.618  -2.436
  108    H    ILE  15           HN       ILE  15  -0.772   6.310  -3.777
  109    HA   ILE  15           HA       ILE  15  -3.196   5.192  -4.905
  110    HB   ILE  15           HB       ILE  15  -2.643   8.097  -4.250
  111   1HG1  ILE  15          HG12      ILE  15  -3.653   5.878  -2.436
  112   2HG1  ILE  15          HG11      ILE  15  -2.031   6.565  -2.369
  113   1HG2  ILE  15          HG23      ILE  15  -4.765   7.352  -5.531
  114   2HG2  ILE  15          HG22      ILE  15  -5.240   6.567  -4.023
  115   3HG2  ILE  15          HG21      ILE  15  -4.998   8.315  -4.070
  116   1HD1  ILE  15          HD11      ILE  15  -3.240   8.848  -2.102
  117   2HD1  ILE  15          HD13      ILE  15  -4.652   7.877  -1.682
  118   3HD1  ILE  15          HD12      ILE  15  -3.183   7.763  -0.714
  119    H    ALA  16           HN       ALA  16  -0.974   7.794  -6.045
  120    HA   ALA  16           HA       ALA  16  -2.390   8.399  -8.421
  121   1HB   ALA  16           HB3      ALA  16  -0.285   9.544  -7.479
  122   2HB   ALA  16           HB2      ALA  16   0.628   8.285  -8.311
  123   3HB   ALA  16           HB1      ALA  16  -0.391   9.390  -9.231
  124    H    GLY  17           HN       GLY  17   0.229   6.021  -7.966
  125   1HA   GLY  17           HA2      GLY  17   0.196   4.961 -10.602
  126   2HA   GLY  17           HA1      GLY  17   0.766   4.096  -9.177
  127    H    LEU  18           HN       LEU  18  -1.428   3.701  -7.669
  128    HA   LEU  18           HA       LEU  18  -2.787   1.582  -9.029
  129   1HB   LEU  18           HB2      LEU  18  -3.201   3.031  -6.423
  130   2HB   LEU  18           HB1      LEU  18  -4.367   1.827  -6.944
  131    HG   LEU  18           HG       LEU  18  -1.419   1.170  -6.900
  132   1HD1  LEU  18          HD13      LEU  18  -2.173   2.042  -4.631
  133   2HD1  LEU  18          HD12      LEU  18  -3.322   0.711  -4.593
  134   3HD1  LEU  18          HD11      LEU  18  -1.593   0.381  -4.642
  135   1HD2  LEU  18          HD22      LEU  18  -3.983  -0.444  -6.679
  136   2HD2  LEU  18          HD21      LEU  18  -2.846  -0.452  -8.024
  137   3HD2  LEU  18          HD23      LEU  18  -2.376  -1.127  -6.468
  138    H    LYS  19           HN       LYS  19  -4.029   4.741  -7.933
  139    HA   LYS  19           HA       LYS  19  -6.608   4.551  -9.031
  140   1HB   LYS  19           HB2      LYS  19  -5.899   6.357  -7.519
  141   2HB   LYS  19           HB1      LYS  19  -4.855   7.010  -8.779
  142   1HG   LYS  19           HG2      LYS  19  -6.716   7.574 -10.168
  143   2HG   LYS  19           HG1      LYS  19  -7.832   6.634  -9.179
  144   1HD   LYS  19           HD2      LYS  19  -6.301   8.876  -7.871
  145   2HD   LYS  19           HD1      LYS  19  -7.672   9.282  -8.904
  146   1HE   LYS  19           HE2      LYS  19  -7.875   7.242  -6.677
  147   2HE   LYS  19           HE1      LYS  19  -8.209   8.956  -6.430
  148   1HZ   LYS  19           HZ3      LYS  19  -9.853   8.830  -8.220
  149   2HZ   LYS  19           HZ2      LYS  19  -9.563   7.160  -8.370
  150   3HZ   LYS  19           HZ1      LYS  19 -10.234   7.785  -6.938
  151    H    LYS  20           HN       LYS  20  -3.631   4.645 -10.705
  152    HA   LYS  20           HA       LYS  20  -4.377   6.089 -13.040
  153   1HB   LYS  20           HB2      LYS  20  -2.042   5.349 -12.698
  154   2HB   LYS  20           HB1      LYS  20  -2.555   3.667 -12.856
  155   1HG   LYS  20           HG2      LYS  20  -3.212   4.000 -15.148
  156   2HG   LYS  20           HG1      LYS  20  -2.983   5.742 -15.017
  157   1HD   LYS  20           HD2      LYS  20  -0.590   5.468 -14.750
  158   2HD   LYS  20           HD1      LYS  20  -0.758   3.715 -14.656
  159   1HE   LYS  20           HE2      LYS  20  -1.673   3.706 -16.974
  160   2HE   LYS  20           HE1      LYS  20  -1.398   5.445 -17.064
  161   1HZ   LYS  20           HZ2      LYS  20   0.959   4.250 -16.163
  162   2HZ   LYS  20           HZ1      LYS  20   0.432   3.367 -17.515
  163   3HZ   LYS  20           HZ3      LYS  20   0.685   5.039 -17.643
  164    H    ARG  21           HN       ARG  21  -5.169   2.914 -11.911
  165    HA   ARG  21           HA       ARG  21  -6.563   2.261 -14.458
  166   1HB   ARG  21           HB2      ARG  21  -5.933   0.746 -11.909
  167   2HB   ARG  21           HB1      ARG  21  -7.129   0.143 -13.056
  168   1HG   ARG  21           HG2      ARG  21  -5.505  -0.052 -14.794
  169   2HG   ARG  21           HG1      ARG  21  -4.309   0.870 -13.887
  170   1HD   ARG  21           HD2      ARG  21  -4.364  -0.933 -12.127
  171   2HD   ARG  21           HD1      ARG  21  -5.381  -1.892 -13.195
  172    HE   ARG  21           HE       ARG  21  -2.522  -1.675 -13.278
  173   1HH1  ARG  21          HH21      ARG  21  -5.237  -1.644 -15.417
  174   2HH1  ARG  21          HH22      ARG  21  -4.291  -2.031 -16.813
  175   1HH2  ARG  21          HH11      ARG  21  -1.302  -2.213 -15.077
  176   2HH2  ARG  21          HH12      ARG  21  -2.072  -2.361 -16.621
  177    H    LYS  22           HN       LYS  22  -7.790   1.233 -11.389
  178    HA   LYS  22           HA       LYS  22  -9.672   3.449 -11.124
  179   1HB   LYS  22           HB2      LYS  22 -11.681   1.894 -11.246
  180   2HB   LYS  22           HB1      LYS  22 -10.904   2.212 -12.796
  181   1HG   LYS  22           HG2      LYS  22  -9.722   0.103 -12.713
  182   2HG   LYS  22           HG1      LYS  22 -10.276  -0.201 -11.070
  183   1HD   LYS  22           HD2      LYS  22 -12.328   0.236 -13.233
  184   2HD   LYS  22           HD1      LYS  22 -11.515  -1.324 -13.135
  185   1HE   LYS  22           HE2      LYS  22 -12.382  -1.795 -11.006
  186   2HE   LYS  22           HE1      LYS  22 -12.733  -0.103 -10.664
  187   1HZ   LYS  22           HZ2      LYS  22 -14.308  -0.333 -12.680
  188   2HZ   LYS  22           HZ1      LYS  22 -14.206  -1.999 -12.358
  189   3HZ   LYS  22           HZ3      LYS  22 -14.795  -0.942 -11.170
  190    H    LEU  23           HN       LEU  23  -7.827   2.798  -9.286
  191    HA   LEU  23           HA       LEU  23  -9.366   1.307  -7.171
  192   1HB   LEU  23           HB2      LEU  23  -6.408   1.252  -7.762
  193   2HB   LEU  23           HB1      LEU  23  -7.108   0.614  -6.282
  194    HG   LEU  23           HG       LEU  23  -7.766  -0.328  -9.091
  195   1HD1  LEU  23          HD11      LEU  23  -6.110  -1.550  -6.860
  196   2HD1  LEU  23          HD13      LEU  23  -6.504  -2.344  -8.389
  197   3HD1  LEU  23          HD12      LEU  23  -5.491  -0.904  -8.382
  198   1HD2  LEU  23          HD23      LEU  23  -8.798  -1.028  -6.345
  199   2HD2  LEU  23          HD22      LEU  23  -9.690  -0.872  -7.859
  200   3HD2  LEU  23          HD21      LEU  23  -8.697  -2.296  -7.567
  201    H    SER  24           HN       SER  24  -9.016   2.004  -5.031
  202    HA   SER  24           HA       SER  24  -7.406   4.421  -4.527
  203   1HB   SER  24           HB2      SER  24  -9.484   5.449  -3.365
  204   2HB   SER  24           HB1      SER  24  -9.403   5.557  -5.123
  205    HG   SER  24           HG       SER  24 -10.499   3.246  -4.586
  206    H    LEU  25           HN       LEU  25  -6.636   4.335  -2.385
  207    HA   LEU  25           HA       LEU  25  -6.748   1.967  -0.906
  208   1HB   LEU  25           HB2      LEU  25  -6.460   4.805   0.125
  209   2HB   LEU  25           HB1      LEU  25  -6.150   3.367   1.099
  210    HG   LEU  25           HG       LEU  25  -4.768   3.757  -1.561
  211   1HD1  LEU  25          HD12      LEU  25  -4.333   5.779  -0.199
  212   2HD1  LEU  25          HD11      LEU  25  -3.792   4.754   1.133
  213   3HD1  LEU  25          HD13      LEU  25  -2.882   4.793  -0.378
  214   1HD2  LEU  25          HD22      LEU  25  -4.186   2.176   0.968
  215   2HD2  LEU  25          HD21      LEU  25  -4.510   1.543  -0.645
  216   3HD2  LEU  25          HD23      LEU  25  -3.006   2.395  -0.320
  217    H    SER  26           HN       SER  26  -9.170   4.450  -1.153
  218    HA   SER  26           HA       SER  26 -10.643   3.573   1.224
  219   1HB   SER  26           HB2      SER  26 -11.013   5.844   0.707
  220   2HB   SER  26           HB1      SER  26 -11.191   5.519  -1.014
  221    HG   SER  26           HG       SER  26 -13.026   4.086   0.106
  222    H    ALA  27           HN       ALA  27 -10.593   2.853  -2.194
  223    HA   ALA  27           HA       ALA  27 -13.162   1.568  -2.346
  224   1HB   ALA  27           HB3      ALA  27 -10.628   1.307  -3.981
  225   2HB   ALA  27           HB2      ALA  27 -12.096   0.404  -4.357
  226   3HB   ALA  27           HB1      ALA  27 -12.108   2.167  -4.411
  227    H    LEU  28           HN       LEU  28  -9.858   0.226  -1.967
  228    HA   LEU  28           HA       LEU  28 -10.651  -2.479  -1.592
  229   1HB   LEU  28           HB2      LEU  28  -8.280  -0.884  -0.586
  230   2HB   LEU  28           HB1      LEU  28  -8.458  -2.600  -0.247
  231    HG   LEU  28           HG       LEU  28  -7.016  -2.191  -2.200
  232   1HD1  LEU  28          HD12      LEU  28  -8.756  -4.174  -1.979
  233   2HD1  LEU  28          HD11      LEU  28  -9.515  -3.398  -3.366
  234   3HD1  LEU  28          HD13      LEU  28  -7.846  -3.950  -3.469
  235   1HD2  LEU  28          HD22      LEU  28  -8.278  -0.075  -2.860
  236   2HD2  LEU  28          HD21      LEU  28  -7.791  -1.133  -4.183
  237   3HD2  LEU  28          HD23      LEU  28  -9.465  -1.126  -3.628
  238    H    SER  29           HN       SER  29 -10.483   0.266   0.594
  239    HA   SER  29           HA       SER  29 -10.812  -1.187   3.044
  240   1HB   SER  29           HB2      SER  29 -11.044   0.905   4.044
  241   2HB   SER  29           HB1      SER  29 -10.192   1.331   2.564
  242    HG   SER  29           HG       SER  29 -11.859   2.496   2.079
  243    H    ARG  30           HN       ARG  30 -13.266   0.699   1.208
  244    HA   ARG  30           HA       ARG  30 -15.431  -0.391   2.762
  245   1HB   ARG  30           HB2      ARG  30 -16.887   0.838   1.322
  246   2HB   ARG  30           HB1      ARG  30 -15.444   1.821   1.537
  247   1HG   ARG  30           HG2      ARG  30 -15.487   1.961  -0.750
  248   2HG   ARG  30           HG1      ARG  30 -14.714   0.382  -0.684
  249   1HD   ARG  30           HD2      ARG  30 -17.207  -0.498  -0.579
  250   2HD   ARG  30           HD1      ARG  30 -17.586   1.069  -1.282
  251    HE   ARG  30           HE       ARG  30 -16.544  -1.181  -2.689
  252   1HH1  ARG  30          HH21      ARG  30 -15.991   2.213  -2.356
  253   2HH1  ARG  30          HH22      ARG  30 -15.049   2.325  -3.801
  254   1HH2  ARG  30          HH11      ARG  30 -15.337  -1.033  -4.575
  255   2HH2  ARG  30          HH12      ARG  30 -14.686   0.498  -5.057
  256    H    GLN  31           HN       GLN  31 -13.733  -1.564  -0.037
  257    HA   GLN  31           HA       GLN  31 -15.866  -3.202  -1.077
  258   1HB   GLN  31           HB2      GLN  31 -12.884  -3.109  -1.406
  259   2HB   GLN  31           HB1      GLN  31 -13.731  -4.552  -1.950
  260   1HG   GLN  31           HG2      GLN  31 -15.205  -3.173  -3.361
  261   2HG   GLN  31           HG1      GLN  31 -14.374  -1.714  -2.812
  262   1HE2  GLN  31          HE22      GLN  31 -11.523  -3.920  -4.573
  263   2HE2  GLN  31          HE21      GLN  31 -12.144  -4.265  -3.031
  264    H    PHE  32           HN       PHE  32 -13.392  -3.741   1.415
  265    HA   PHE  32           HA       PHE  32 -14.468  -6.504   1.845
  266   1HB   PHE  32           HB2      PHE  32 -11.929  -5.119   2.752
  267   2HB   PHE  32           HB1      PHE  32 -12.455  -6.672   3.406
  268    HD1  PHE  32           HD1      PHE  32 -11.647  -4.906   0.206
  269    HD2  PHE  32           HD2      PHE  32 -12.098  -8.693   2.214
  270    HE1  PHE  32           HE1      PHE  32 -10.749  -6.078  -1.798
  271    HE2  PHE  32           HE2      PHE  32 -11.196  -9.864   0.214
  272    HZ   PHE  32           HZ       PHE  32 -10.524  -8.557  -1.794
  273    H    GLY  33           HN       GLY  33 -14.270  -3.326   3.343
  274   1HA   GLY  33           HA2      GLY  33 -16.256  -2.995   4.931
  275   2HA   GLY  33           HA1      GLY  33 -15.654  -4.421   5.769
  276    H    TYR  34           HN       TYR  34 -12.912  -3.937   5.836
  277    HA   TYR  34           HA       TYR  34 -12.496  -2.434   8.098
  278   1HB   TYR  34           HB2      TYR  34 -10.517  -2.341   5.815
  279   2HB   TYR  34           HB1      TYR  34 -10.182  -2.288   7.543
  280    HD1  TYR  34           HD2      TYR  34 -11.579  -4.413   8.800
  281    HD2  TYR  34           HD1      TYR  34  -9.836  -4.361   4.858
  282    HE1  TYR  34           HE2      TYR  34 -11.417  -6.889   8.840
  283    HE2  TYR  34           HE1      TYR  34  -9.677  -6.835   4.903
  284    HH   TYR  34           HH       TYR  34  -9.857  -8.651   7.613
  285    H    ALA  35           HN       ALA  35 -12.915  -0.368   8.616
  286    HA   ALA  35           HA       ALA  35 -13.878   1.610   6.946
  287   1HB   ALA  35           HB1      ALA  35 -12.820   1.479   9.641
  288   2HB   ALA  35           HB3      ALA  35 -12.328   2.999   8.898
  289   3HB   ALA  35           HB2      ALA  35 -14.038   2.581   9.002
  290    HA   PRO  36           HA       PRO  36 -10.629   3.178   4.429
  291   1HB   PRO  36           HB2      PRO  36 -10.839   5.976   5.019
  292   2HB   PRO  36           HB1      PRO  36 -11.617   5.105   3.690
  293   1HG   PRO  36           HG2      PRO  36 -12.832   6.124   6.163
  294   2HG   PRO  36           HG1      PRO  36 -13.633   5.515   4.709
  295   1HD   PRO  36           HD2      PRO  36 -13.446   4.171   7.212
  296   2HD   PRO  36           HD1      PRO  36 -13.999   3.473   5.674
  297    H    THR  37           HN       THR  37 -10.711   4.342   7.771
  298    HA   THR  37           HA       THR  37  -8.044   5.383   7.860
  299    HB   THR  37           HB       THR  37  -8.257   5.142  10.313
  300    HG1  THR  37           HG1      THR  37 -10.376   3.500   9.494
  301   1HG2  THR  37          HG23      THR  37  -9.399   7.010   9.108
  302   2HG2  THR  37          HG22      THR  37 -10.860   6.025   9.040
  303   3HG2  THR  37          HG21      THR  37 -10.223   6.548  10.598
  304    H    THR  38           HN       THR  38  -9.351   2.132   8.423
  305    HA   THR  38           HA       THR  38  -7.021   0.906   9.445
  306    HB   THR  38           HB       THR  38  -9.227  -0.180   7.677
  307    HG1  THR  38           HG1      THR  38  -8.665  -0.717  10.389
  308   1HG2  THR  38          HG21      THR  38  -6.739  -1.490   8.709
  309   2HG2  THR  38          HG23      THR  38  -8.242  -2.402   8.830
  310   3HG2  THR  38          HG22      THR  38  -7.676  -1.844   7.255
  311    H    LEU  39           HN       LEU  39  -8.090   0.877   6.020
  312    HA   LEU  39           HA       LEU  39  -5.791  -0.267   4.943
  313   1HB   LEU  39           HB2      LEU  39  -8.108   0.910   3.921
  314   2HB   LEU  39           HB1      LEU  39  -6.843   1.931   3.259
  315    HG   LEU  39           HG       LEU  39  -7.148   0.246   1.640
  316   1HD1  LEU  39          HD12      LEU  39  -4.695   0.494   2.779
  317   2HD1  LEU  39          HD11      LEU  39  -4.955  -1.232   3.040
  318   3HD1  LEU  39          HD13      LEU  39  -5.012  -0.564   1.408
  319   1HD2  LEU  39          HD22      LEU  39  -7.456  -1.587   4.012
  320   2HD2  LEU  39          HD21      LEU  39  -8.527  -1.359   2.633
  321   3HD2  LEU  39          HD23      LEU  39  -7.022  -2.255   2.440
  322    H    ALA  40           HN       ALA  40  -6.397   3.226   5.408
  323    HA   ALA  40           HA       ALA  40  -3.904   4.172   4.485
  324   1HB   ALA  40           HB2      ALA  40  -5.660   5.233   6.717
  325   2HB   ALA  40           HB1      ALA  40  -4.306   6.118   6.015
  326   3HB   ALA  40           HB3      ALA  40  -5.706   5.712   5.021
  327    H    ASN  41           HN       ASN  41  -4.806   3.441   7.872
  328    HA   ASN  41           HA       ASN  41  -2.262   3.843   9.019
  329   1HB   ASN  41           HB2      ASN  41  -4.226   1.712   9.899
  330   2HB   ASN  41           HB1      ASN  41  -3.055   2.578  10.899
  331   1HD2  ASN  41          HD22      ASN  41  -6.127   4.410  11.593
  332   2HD2  ASN  41          HD21      ASN  41  -5.327   2.986  12.055
  333    H    ALA  42           HN       ALA  42  -3.221   1.386   6.826
  334    HA   ALA  42           HA       ALA  42  -1.437  -0.689   7.772
  335   1HB   ALA  42           HB1      ALA  42  -3.441  -0.918   6.140
  336   2HB   ALA  42           HB3      ALA  42  -2.313  -0.372   4.899
  337   3HB   ALA  42           HB2      ALA  42  -1.991  -1.859   5.790
  338    H    LEU  43           HN       LEU  43  -0.749   2.311   6.642
  339    HA   LEU  43           HA       LEU  43   1.547   1.581   4.945
  340   1HB   LEU  43           HB2      LEU  43   0.598   4.266   5.982
  341   2HB   LEU  43           HB1      LEU  43   1.900   4.036   4.816
  342    HG   LEU  43           HG       LEU  43  -0.918   3.010   4.369
  343   1HD1  LEU  43          HD12      LEU  43  -0.868   5.497   4.638
  344   2HD1  LEU  43          HD11      LEU  43   0.305   5.580   3.324
  345   3HD1  LEU  43          HD13      LEU  43  -1.327   4.987   3.014
  346   1HD2  LEU  43          HD21      LEU  43   1.563   3.313   2.662
  347   2HD2  LEU  43          HD23      LEU  43   0.552   1.887   2.886
  348   3HD2  LEU  43          HD22      LEU  43  -0.034   3.238   1.924
  349    H    GLU  44           HN       GLU  44   0.917   2.475   8.278
  350    HA   GLU  44           HA       GLU  44   3.858   2.255   8.830
  351   1HB   GLU  44           HB2      GLU  44   1.880   4.269   9.919
  352   2HB   GLU  44           HB1      GLU  44   3.448   3.963  10.667
  353   1HG   GLU  44           HG2      GLU  44   3.224   4.630   7.729
  354   2HG   GLU  44           HG1      GLU  44   3.292   5.899   8.950
  355    H    ARG  45           HN       ARG  45   0.600   1.439   9.741
  356    HA   ARG  45           HA       ARG  45   1.278   0.557  12.429
  357   1HB   ARG  45           HB2      ARG  45  -1.034   1.175  11.811
  358   2HB   ARG  45           HB1      ARG  45  -1.095  -0.189  10.690
  359   1HG   ARG  45           HG2      ARG  45  -0.886  -1.780  12.462
  360   2HG   ARG  45           HG1      ARG  45  -0.479  -0.532  13.631
  361   1HD   ARG  45           HD2      ARG  45  -3.140  -0.926  12.245
  362   2HD   ARG  45           HD1      ARG  45  -2.809  -1.187  13.952
  363    HE   ARG  45           HE       ARG  45  -3.534   1.298  12.700
  364   1HH1  ARG  45          HH21      ARG  45  -1.349   0.036  15.059
  365   2HH1  ARG  45          HH22      ARG  45  -1.009   1.586  15.747
  366   1HH2  ARG  45          HH11      ARG  45  -3.110   3.305  13.601
  367   2HH2  ARG  45          HH12      ARG  45  -2.009   3.429  14.931
  368    H    HIS  46           HN       HIS  46   1.710  -1.558  13.126
  369    HA   HIS  46           HA       HIS  46   3.055  -3.288  11.249
  370   1HB   HIS  46           HB2      HIS  46   3.221  -4.852  13.158
  371   2HB   HIS  46           HB1      HIS  46   3.661  -3.210  13.641
  372    HD1  HIS  46           HD1      HIS  46   0.602  -2.221  13.727
  373    HD2  HIS  46           HD2      HIS  46   2.184  -5.520  15.725
  374    HE1  HIS  46           HE1      HIS  46  -0.947  -2.688  15.675
  375    H    TRP  47           HN       TRP  47   1.538  -3.846   9.624
  376    HA   TRP  47           HA       TRP  47  -0.172  -6.115  10.261
  377   1HB   TRP  47           HB2      TRP  47  -1.640  -4.236  10.933
  378   2HB   TRP  47           HB1      TRP  47  -1.464  -3.531   9.328
  379    HD1  TRP  47           HD1      TRP  47  -2.207  -7.189  10.411
  380    HE1  TRP  47           HE1      TRP  47  -4.305  -7.975   9.149
  381    HE3  TRP  47           HE3      TRP  47  -3.387  -2.888   7.903
  382    HZ2  TRP  47           HZ2      TRP  47  -6.245  -6.927   7.313
  383    HZ3  TRP  47           HZ3      TRP  47  -5.370  -2.808   6.407
  384    HH2  TRP  47           HH2      TRP  47  -6.801  -4.822   6.116
  385    HA   PRO  48           HA       PRO  48   1.879  -5.704   6.078
  386   1HB   PRO  48           HB2      PRO  48   2.382  -8.583   6.348
  387   2HB   PRO  48           HB1      PRO  48   3.547  -7.262   6.150
  388   1HG   PRO  48           HG2      PRO  48   3.080  -8.724   8.537
  389   2HG   PRO  48           HG1      PRO  48   4.003  -7.218   8.401
  390   1HD   PRO  48           HD2      PRO  48   1.346  -7.632   9.566
  391   2HD   PRO  48           HD1      PRO  48   2.380  -6.183   9.657
  392    H    LYS  49           HN       LYS  49  -0.737  -7.574   7.379
  393    HA   LYS  49           HA       LYS  49  -1.447  -8.924   4.916
  394   1HB   LYS  49           HB2      LYS  49  -2.226  -9.437   7.355
  395   2HB   LYS  49           HB1      LYS  49  -3.442  -8.203   7.054
  396   1HG   LYS  49           HG2      LYS  49  -4.681  -9.931   6.199
  397   2HG   LYS  49           HG1      LYS  49  -3.697  -9.698   4.760
  398   1HD   LYS  49           HD2      LYS  49  -2.930 -11.589   7.009
  399   2HD   LYS  49           HD1      LYS  49  -3.855 -12.090   5.602
  400   1HE   LYS  49           HE2      LYS  49  -1.639 -12.614   5.015
  401   2HE   LYS  49           HE1      LYS  49  -1.914 -11.072   4.212
  402   1HZ   LYS  49           HZ2      LYS  49  -0.938 -10.010   6.241
  403   2HZ   LYS  49           HZ1      LYS  49  -0.481 -11.561   6.761
  404   3HZ   LYS  49           HZ3      LYS  49   0.155 -10.929   5.322
  405    H    GLY  50           HN       GLY  50  -1.855  -5.702   6.099
  406   1HA   GLY  50           HA2      GLY  50  -4.126  -5.014   4.403
  407   2HA   GLY  50           HA1      GLY  50  -3.080  -3.870   5.252
  408    H    GLU  51           HN       GLU  51  -0.633  -5.090   4.066
  409    HA   GLU  51           HA       GLU  51  -0.531  -3.465   1.669
  410   1HB   GLU  51           HB2      GLU  51   1.462  -5.618   2.407
  411   2HB   GLU  51           HB1      GLU  51   1.750  -4.114   1.531
  412   1HG   GLU  51           HG2      GLU  51   1.200  -2.833   3.585
  413   2HG   GLU  51           HG1      GLU  51   0.975  -4.347   4.450
  414    H    GLN  52           HN       GLN  52  -0.939  -6.896   2.390
  415    HA   GLN  52           HA       GLN  52  -0.657  -7.876  -0.279
  416   1HB   GLN  52           HB2      GLN  52  -0.865  -9.808   0.919
  417   2HB   GLN  52           HB1      GLN  52  -1.423  -8.898   2.314
  418   1HG   GLN  52           HG2      GLN  52  -3.727  -9.000   1.503
  419   2HG   GLN  52           HG1      GLN  52  -3.200  -9.838   0.041
  420   1HE2  GLN  52          HE22      GLN  52  -3.952 -11.998   3.315
  421   2HE2  GLN  52          HE21      GLN  52  -4.443 -10.385   3.118
  422    H    ILE  53           HN       ILE  53  -3.401  -6.488   1.494
  423    HA   ILE  53           HA       ILE  53  -5.460  -7.030  -0.378
  424    HB   ILE  53           HB       ILE  53  -5.027  -4.638   1.440
  425   1HG1  ILE  53          HG12      ILE  53  -6.867  -7.042   1.688
  426   2HG1  ILE  53          HG11      ILE  53  -5.294  -6.922   2.472
  427   1HG2  ILE  53          HG22      ILE  53  -7.463  -5.456  -0.173
  428   2HG2  ILE  53          HG21      ILE  53  -7.495  -4.269   1.129
  429   3HG2  ILE  53          HG23      ILE  53  -6.554  -3.952  -0.325
  430   1HD1  ILE  53          HD12      ILE  53  -6.306  -4.617   3.380
  431   2HD1  ILE  53          HD11      ILE  53  -7.835  -5.445   3.086
  432   3HD1  ILE  53          HD13      ILE  53  -6.653  -6.143   4.188
  433    H    ILE  54           HN       ILE  54  -3.318  -4.161  -0.177
  434    HA   ILE  54           HA       ILE  54  -4.287  -2.927  -2.572
  435    HB   ILE  54           HB       ILE  54  -1.596  -2.739  -1.179
  436   1HG1  ILE  54          HG12      ILE  54  -3.825  -0.697  -1.186
  437   2HG1  ILE  54          HG11      ILE  54  -3.843  -2.029  -0.033
  438   1HG2  ILE  54          HG21      ILE  54  -2.801  -1.243  -3.502
  439   2HG2  ILE  54          HG23      ILE  54  -1.581  -0.491  -2.480
  440   3HG2  ILE  54          HG22      ILE  54  -1.197  -1.959  -3.372
  441   1HD1  ILE  54          HD12      ILE  54  -1.492  -1.341   0.650
  442   2HD1  ILE  54          HD11      ILE  54  -1.713   0.117  -0.310
  443   3HD1  ILE  54          HD13      ILE  54  -2.754  -0.193   1.072
  444    H    ALA  55           HN       ALA  55  -1.217  -4.722  -2.065
  445    HA   ALA  55           HA       ALA  55  -0.428  -4.804  -4.775
  446   1HB   ALA  55           HB2      ALA  55   0.893  -5.499  -2.696
  447   2HB   ALA  55           HB1      ALA  55   0.064  -7.048  -2.810
  448   3HB   ALA  55           HB3      ALA  55   1.107  -6.508  -4.126
  449    H    ASN  56           HN       ASN  56  -2.615  -6.897  -2.980
  450    HA   ASN  56           HA       ASN  56  -2.876  -8.997  -4.867
  451   1HB   ASN  56           HB2      ASN  56  -3.865  -9.220  -2.672
  452   2HB   ASN  56           HB1      ASN  56  -4.899  -7.816  -2.939
  453   1HD2  ASN  56          HD22      ASN  56  -5.949 -11.438  -4.505
  454   2HD2  ASN  56          HD21      ASN  56  -4.435 -11.228  -3.765
  455    H    ALA  57           HN       ALA  57  -4.405  -5.808  -4.722
  456    HA   ALA  57           HA       ALA  57  -6.318  -6.231  -6.794
  457   1HB   ALA  57           HB1      ALA  57  -6.015  -4.241  -5.111
  458   2HB   ALA  57           HB3      ALA  57  -5.002  -3.556  -6.382
  459   3HB   ALA  57           HB2      ALA  57  -6.696  -3.928  -6.705
  460    H    LEU  58           HN       LEU  58  -2.901  -5.293  -6.922
  461    HA   LEU  58           HA       LEU  58  -3.023  -4.897  -9.847
  462   1HB   LEU  58           HB2      LEU  58  -0.790  -4.812  -7.800
  463   2HB   LEU  58           HB1      LEU  58  -0.489  -4.656  -9.524
  464    HG   LEU  58           HG       LEU  58  -2.500  -2.870  -8.142
  465   1HD1  LEU  58          HD13      LEU  58   0.510  -2.536  -8.312
  466   2HD1  LEU  58          HD12      LEU  58  -0.589  -1.197  -7.980
  467   3HD1  LEU  58          HD11      LEU  58  -0.485  -2.552  -6.857
  468   1HD2  LEU  58          HD22      LEU  58  -0.818  -2.689 -10.670
  469   2HD2  LEU  58          HD21      LEU  58  -2.575  -2.743 -10.552
  470   3HD2  LEU  58          HD23      LEU  58  -1.699  -1.314 -10.010
  471    H    GLU  59           HN       GLU  59  -3.116  -7.538  -7.939
  472    HA   GLU  59           HA       GLU  59  -2.633  -9.792  -8.296
  473   1HB   GLU  59           HB2      GLU  59  -3.400  -8.950 -10.672
  474   2HB   GLU  59           HB1      GLU  59  -1.697  -9.148 -11.079
  475   1HG   GLU  59           HG2      GLU  59  -2.695 -11.230 -11.579
  476   2HG   GLU  59           HG1      GLU  59  -1.885 -11.492 -10.046
  477    H    THR  60           HN       THR  60  -0.497  -7.622  -7.673
  478    HA   THR  60           HA       THR  60   1.918  -9.243  -8.409
  479    HB   THR  60           HB       THR  60   1.739  -6.775  -9.140
  480    HG1  THR  60           HG1      THR  60   3.682  -8.180  -8.770
  481   1HG2  THR  60          HG22      THR  60   0.901  -6.119  -6.770
  482   2HG2  THR  60          HG21      THR  60   2.602  -6.207  -6.310
  483   3HG2  THR  60          HG23      THR  60   2.084  -5.069  -7.553
  484    H    LYS  61           HN       LYS  61   3.683  -8.328  -6.513
  485    HA   LYS  61           HA       LYS  61   2.509  -9.418  -3.995
  486   1HB   LYS  61           HB2      LYS  61   5.454  -9.245  -4.627
  487   2HB   LYS  61           HB1      LYS  61   4.645 -10.319  -3.490
  488   1HG   LYS  61           HG2      LYS  61   4.866 -11.851  -5.195
  489   2HG   LYS  61           HG1      LYS  61   3.403 -11.084  -5.799
  490   1HD   LYS  61           HD2      LYS  61   4.801  -9.549  -7.172
  491   2HD   LYS  61           HD1      LYS  61   6.246 -10.373  -6.588
  492   1HE   LYS  61           HE2      LYS  61   5.530 -11.229  -8.805
  493   2HE   LYS  61           HE1      LYS  61   5.467 -12.483  -7.566
  494   1HZ   LYS  61           HZ3      LYS  61   3.045 -10.938  -7.827
  495   2HZ   LYS  61           HZ2      LYS  61   3.436 -11.852  -9.206
  496   3HZ   LYS  61           HZ1      LYS  61   3.252 -12.616  -7.699
  497    HA   PRO  62           HA       PRO  62   3.129  -5.453  -2.080
  498   1HB   PRO  62           HB2      PRO  62   4.078  -6.401   0.458
  499   2HB   PRO  62           HB1      PRO  62   2.415  -5.968   0.033
  500   1HG   PRO  62           HG2      PRO  62   3.568  -8.647   0.396
  501   2HG   PRO  62           HG1      PRO  62   1.866  -8.183   0.262
  502   1HD   PRO  62           HD2      PRO  62   3.401  -9.509  -1.730
  503   2HD   PRO  62           HD1      PRO  62   1.794  -8.782  -1.946
  504    H    GLU  63           HN       GLU  63   5.709  -7.873  -1.740
  505    HA   GLU  63           HA       GLU  63   7.819  -6.173  -0.942
  506   1HB   GLU  63           HB2      GLU  63   9.298  -7.829  -2.184
  507   2HB   GLU  63           HB1      GLU  63   8.203  -8.542  -0.998
  508   1HG   GLU  63           HG2      GLU  63   6.703  -9.299  -2.671
  509   2HG   GLU  63           HG1      GLU  63   7.436  -8.271  -3.907
  510    H    VAL  64           HN       VAL  64   5.950  -5.896  -3.706
  511    HA   VAL  64           HA       VAL  64   8.129  -4.841  -5.431
  512    HB   VAL  64           HB       VAL  64   5.140  -4.922  -5.950
  513   1HG1  VAL  64          HG13      VAL  64   7.583  -4.477  -7.685
  514   2HG1  VAL  64          HG12      VAL  64   5.993  -4.856  -8.348
  515   3HG1  VAL  64          HG11      VAL  64   6.232  -3.372  -7.425
  516   1HG2  VAL  64          HG21      VAL  64   6.120  -7.185  -5.540
  517   2HG2  VAL  64          HG23      VAL  64   5.565  -6.970  -7.199
  518   3HG2  VAL  64          HG22      VAL  64   7.286  -6.877  -6.826
  519    H    ILE  65           HN       ILE  65   5.382  -3.725  -3.516
  520    HA   ILE  65           HA       ILE  65   5.765  -0.937  -4.413
  521    HB   ILE  65           HB       ILE  65   3.854  -2.132  -2.393
  522   1HG1  ILE  65          HG12      ILE  65   2.290  -1.300  -4.456
  523   2HG1  ILE  65          HG11      ILE  65   3.757  -1.680  -5.358
  524   1HG2  ILE  65          HG22      ILE  65   4.072   0.643  -3.576
  525   2HG2  ILE  65          HG21      ILE  65   2.687   0.075  -2.645
  526   3HG2  ILE  65          HG23      ILE  65   4.268   0.204  -1.880
  527   1HD1  ILE  65          HD12      ILE  65   3.675  -3.930  -3.967
  528   2HD1  ILE  65          HD11      ILE  65   1.977  -3.509  -3.760
  529   3HD1  ILE  65          HD13      ILE  65   2.638  -3.736  -5.379
  530    H    TRP  66           HN       TRP  66   6.678  -2.991  -1.708
  531    HA   TRP  66           HA       TRP  66   8.073  -0.630  -0.475
  532   1HB   TRP  66           HB2      TRP  66   6.546  -2.806   0.987
  533   2HB   TRP  66           HB1      TRP  66   7.572  -1.608   1.766
  534    HD1  TRP  66           HD1      TRP  66   6.800   0.972   1.602
  535    HE1  TRP  66           HE1      TRP  66   4.460   2.015   1.328
  536    HE3  TRP  66           HE3      TRP  66   4.206  -3.130   0.001
  537    HZ2  TRP  66           HZ2      TRP  66   1.822   1.216   0.532
  538    HZ3  TRP  66           HZ3      TRP  66   1.777  -2.966  -0.508
  539    HH2  TRP  66           HH2      TRP  66   0.585  -0.798  -0.244
  540    HA   PRO  67           HA       PRO  67  10.913  -4.289  -1.111
  541   1HB   PRO  67           HB2      PRO  67  12.804  -2.791  -2.589
  542   2HB   PRO  67           HB1      PRO  67  11.589  -3.889  -3.267
  543   1HG   PRO  67           HG2      PRO  67  11.645  -0.948  -3.346
  544   2HG   PRO  67           HG1      PRO  67  10.620  -2.061  -4.264
  545   1HD   PRO  67           HD2      PRO  67   9.850  -0.457  -1.990
  546   2HD   PRO  67           HD1      PRO  67   8.861  -1.639  -2.868
  547    H    SER  68           HN       SER  68  12.154  -0.917  -0.850
  548    HA   SER  68           HA       SER  68  14.462  -1.526   0.656
  549   1HB   SER  68           HB2      SER  68  14.148   0.935   1.476
  550   2HB   SER  68           HB1      SER  68  14.392   0.635  -0.244
  551    HG   SER  68           HG       SER  68  11.888   0.918   1.073
  552    H    ARG  69           HN       ARG  69  11.384  -2.131   1.664
  553    HA   ARG  69           HA       ARG  69  11.994  -1.611   4.556
  554   1HB   ARG  69           HB2      ARG  69   9.423  -2.061   3.043
  555   2HB   ARG  69           HB1      ARG  69   9.495  -2.156   4.800
  556   1HG   ARG  69           HG2      ARG  69  10.477   0.251   3.235
  557   2HG   ARG  69           HG1      ARG  69   8.829   0.118   3.838
  558   1HD   ARG  69           HD2      ARG  69  10.062  -0.401   6.146
  559   2HD   ARG  69           HD1      ARG  69  11.383   0.475   5.373
  560    HE   ARG  69           HE       ARG  69   9.213   2.124   4.966
  561   1HH1  ARG  69          HH21      ARG  69  10.628   0.508   7.663
  562   2HH1  ARG  69          HH22      ARG  69  10.170   1.730   8.803
  563   1HH2  ARG  69          HH11      ARG  69   8.607   3.727   6.438
  564   2HH2  ARG  69          HH12      ARG  69   9.025   3.550   8.110
  565    H    TYR  70           HN       TYR  70  11.080  -4.098   2.212
  566    HA   TYR  70           HA       TYR  70  11.302  -6.197   4.348
  567   1HB   TYR  70           HB2      TYR  70  10.066  -6.147   1.580
  568   2HB   TYR  70           HB1      TYR  70  10.347  -7.656   2.444
  569    HD1  TYR  70           HD2      TYR  70   9.484  -7.736   4.944
  570    HD2  TYR  70           HD1      TYR  70   8.066  -5.002   1.944
  571    HE1  TYR  70           HE2      TYR  70   7.405  -7.369   6.264
  572    HE2  TYR  70           HE1      TYR  70   5.985  -4.625   3.259
  573    HH   TYR  70           HH       TYR  70   5.482  -4.921   6.024
  574    H    GLN  71           HN       GLN  71  12.924  -7.745   4.206
  575    HA   GLN  71           HA       GLN  71  14.472  -8.119   1.760
  576   1HB   GLN  71           HB2      GLN  71  15.402  -6.008   2.926
  577   2HB   GLN  71           HB1      GLN  71  16.004  -7.111   4.163
  578   1HG   GLN  71           HG2      GLN  71  17.167  -8.408   2.361
  579   2HG   GLN  71           HG1      GLN  71  16.663  -7.176   1.203
  580   1HE2  GLN  71          HE22      GLN  71  19.852  -5.763   2.025
  581   2HE2  GLN  71          HE21      GLN  71  19.039  -6.737   0.896
  582    H    ALA  72           HN       ALA  72  13.009  -9.997   3.050
  583    HA   ALA  72           HA       ALA  72  14.939 -12.019   3.691
  584   1HB   ALA  72           HB2      ALA  72  13.507 -10.691   5.998
  585   2HB   ALA  72           HB1      ALA  72  14.147 -12.331   6.108
  586   3HB   ALA  72           HB3      ALA  72  15.237 -10.976   5.814
  587    H    GLY  73           HN       GLY  73  13.673 -13.229   2.235
  588   1HA   GLY  73           HA2      GLY  73  11.734 -14.959   3.150
  589   2HA   GLY  73           HA1      GLY  73  10.800 -13.551   2.638
  590    H    GLU  74           HN       GLU  74   9.916 -15.147   1.020
  591    HA   GLU  74           HA       GLU  74  11.522 -14.995  -1.476
  592   1HB   GLU  74           HB2      GLU  74  10.871 -17.422  -1.946
  593   2HB   GLU  74           HB1      GLU  74  12.131 -17.185  -0.735
  594   1HG   GLU  74           HG2      GLU  74  10.589 -17.532   1.067
  595   2HG   GLU  74           HG1      GLU  74   9.202 -17.455  -0.021
   
  No H/Q in entry =         595
  Start of MODEL          28
 Raw file had  612 H/Q atoms
  Start of MODEL   28
    1   1H    CYS   1           HT2      CYS   1  15.932  11.111   9.819
    2   2H    CYS   1           HT1      CYS   1  15.197  12.631   9.994
    3   3H    CYS   1           HT3      CYS   1  16.318  12.095  11.148
    4    HA   CYS   1           HA       CYS   1  14.584  11.402  12.333
    5   1HB   CYS   1           HB2      CYS   1  13.010  12.755  11.130
    6   2HB   CYS   1           HB1      CYS   1  13.072  11.692   9.724
    7    HG   CYS   1           HG       CYS   1  11.150  10.538  10.784
    8    H    SER   2           HN       SER   2  13.672   9.807   9.277
    9    HA   SER   2           HA       SER   2  14.889   7.273  10.156
   10   1HB   SER   2           HB2      SER   2  12.762   6.036  10.114
   11   2HB   SER   2           HB1      SER   2  12.718   7.296  11.344
   12    HG   SER   2           HG       SER   2  11.450   8.524  10.038
   13    H    ASN   3           HN       ASN   3  12.376   6.430   8.217
   14    HA   ASN   3           HA       ASN   3  13.267   7.430   5.653
   15   1HB   ASN   3           HB2      ASN   3  14.109   5.191   4.826
   16   2HB   ASN   3           HB1      ASN   3  15.172   5.991   5.984
   17   1HD2  ASN   3          HD22      ASN   3  14.027   2.322   6.860
   18   2HD2  ASN   3          HD21      ASN   3  14.134   2.983   5.301
   19    H    GLU   4           HN       GLU   4  11.322   7.519   4.676
   20    HA   GLU   4           HA       GLU   4   9.624   5.065   4.608
   21   1HB   GLU   4           HB2      GLU   4   7.615   6.663   4.817
   22   2HB   GLU   4           HB1      GLU   4   8.514   6.331   6.298
   23   1HG   GLU   4           HG2      GLU   4   9.759   8.419   6.054
   24   2HG   GLU   4           HG1      GLU   4   8.964   8.741   4.513
   25    H    LYS   5           HN       LYS   5  11.424   7.020   2.891
   26    HA   LYS   5           HA       LYS   5   9.640   6.907   0.495
   27   1HB   LYS   5           HB2      LYS   5  10.565   9.158  -0.175
   28   2HB   LYS   5           HB1      LYS   5   9.508   9.213   1.236
   29   1HG   LYS   5           HG2      LYS   5  11.450   9.218   2.729
   30   2HG   LYS   5           HG1      LYS   5  12.536   9.088   1.346
   31   1HD   LYS   5           HD2      LYS   5  12.404  11.420   2.092
   32   2HD   LYS   5           HD1      LYS   5  11.687  11.255   0.490
   33   1HE   LYS   5           HE2      LYS   5   9.875  10.967   2.866
   34   2HE   LYS   5           HE1      LYS   5  10.424  12.585   2.431
   35   1HZ   LYS   5           HZ1      LYS   5   9.356  10.777   0.367
   36   2HZ   LYS   5           HZ3      LYS   5   8.299  11.662   1.355
   37   3HZ   LYS   5           HZ2      LYS   5   9.425  12.474   0.376
   38    H    ALA   6           HN       ALA   6  12.104   5.465   1.670
   39    HA   ALA   6           HA       ALA   6  14.288   6.131  -0.137
   40   1HB   ALA   6           HB3      ALA   6  13.777   3.841   1.771
   41   2HB   ALA   6           HB2      ALA   6  15.205   3.896   0.736
   42   3HB   ALA   6           HB1      ALA   6  14.937   5.160   1.937
   43    H    ARG   7           HN       ARG   7  13.342   2.764   0.117
   44    HA   ARG   7           HA       ARG   7  13.161   2.662  -2.849
   45   1HB   ARG   7           HB2      ARG   7  12.859   0.238  -1.073
   46   2HB   ARG   7           HB1      ARG   7  13.555   0.355  -2.681
   47   1HG   ARG   7           HG2      ARG   7  14.805   1.474  -0.155
   48   2HG   ARG   7           HG1      ARG   7  15.285  -0.021  -0.952
   49   1HD   ARG   7           HD2      ARG   7  15.514   2.799  -2.031
   50   2HD   ARG   7           HD1      ARG   7  16.817   1.657  -1.711
   51    HE   ARG   7           HE       ARG   7  15.206   0.377  -3.591
   52   1HH1  ARG   7          HH21      ARG   7  16.874   3.381  -3.291
   53   2HH1  ARG   7          HH22      ARG   7  17.142   3.554  -4.994
   54   1HH2  ARG   7          HH11      ARG   7  15.544   0.588  -5.816
   55   2HH2  ARG   7          HH12      ARG   7  16.388   1.972  -6.424
   56    H    ASP   8           HN       ASP   8  11.173   3.080  -0.208
   57    HA   ASP   8           HA       ASP   8   8.897   1.476  -0.955
   58   1HB   ASP   8           HB2      ASP   8   8.848   4.054   0.634
   59   2HB   ASP   8           HB1      ASP   8   7.700   2.715   0.716
   60    H    TRP   9           HN       TRP   9   7.018   2.102  -2.012
   61    HA   TRP   9           HA       TRP   9   7.276   4.022  -4.164
   62   1HB   TRP   9           HB2      TRP   9   4.975   2.422  -3.001
   63   2HB   TRP   9           HB1      TRP   9   4.740   3.557  -4.320
   64    HD1  TRP   9           HD1      TRP   9   7.658   1.069  -3.790
   65    HE1  TRP   9           HE1      TRP   9   7.822  -0.431  -5.875
   66    HE3  TRP   9           HE3      TRP   9   3.590   2.746  -6.389
   67    HZ2  TRP   9           HZ2      TRP   9   6.393  -0.893  -8.321
   68    HZ3  TRP   9           HZ3      TRP   9   3.000   1.749  -8.589
   69    HH2  TRP   9           HH2      TRP   9   4.397  -0.067  -9.555
   70    H    HIS  10           HN       HIS  10   7.233   6.194  -3.735
   71    HA   HIS  10           HA       HIS  10   6.664   7.574  -1.446
   72   1HB   HIS  10           HB2      HIS  10   7.056   8.260  -4.119
   73   2HB   HIS  10           HB1      HIS  10   5.457   8.927  -3.798
   74    HD1  HIS  10           HD1      HIS  10   9.038   9.112  -2.586
   75    HD2  HIS  10           HD2      HIS  10   5.463  11.216  -2.161
   76    HE1  HIS  10           HE1      HIS  10   9.613  11.264  -1.385
   77    H    ARG  11           HN       ARG  11   4.801   8.401  -0.381
   78    HA   ARG  11           HA       ARG  11   2.496   6.855  -0.230
   79   1HB   ARG  11           HB2      ARG  11   1.312   8.981   0.539
   80   2HB   ARG  11           HB1      ARG  11   2.780   8.560   1.416
   81   1HG   ARG  11           HG2      ARG  11   3.910  10.419   0.678
   82   2HG   ARG  11           HG1      ARG  11   3.264  10.284  -0.954
   83   1HD   ARG  11           HD2      ARG  11   2.511  12.350   0.256
   84   2HD   ARG  11           HD1      ARG  11   1.181  11.326  -0.285
   85    HE   ARG  11           HE       ARG  11   1.656  10.456   2.296
   86   1HH1  ARG  11          HH21      ARG  11   1.106  13.492   0.753
   87   2HH1  ARG  11          HH22      ARG  11   0.312  14.194   2.121
   88   1HH2  ARG  11          HH11      ARG  11   0.615  11.359   4.093
   89   2HH2  ARG  11          HH12      ARG  11   0.033  12.988   4.010
   90    H    ALA  12           HN       ALA  12   3.249   9.350  -2.584
   91    HA   ALA  12           HA       ALA  12   0.557   9.248  -3.782
   92   1HB   ALA  12           HB2      ALA  12   3.107  10.674  -4.584
   93   2HB   ALA  12           HB1      ALA  12   1.586  10.793  -5.471
   94   3HB   ALA  12           HB3      ALA  12   1.689  11.381  -3.811
   95    H    ASP  13           HN       ASP  13   3.699   7.751  -4.254
   96    HA   ASP  13           HA       ASP  13   3.222   6.900  -6.976
   97   1HB   ASP  13           HB2      ASP  13   5.014   5.825  -4.802
   98   2HB   ASP  13           HB1      ASP  13   4.982   5.154  -6.431
   99    H    VAL  14           HN       VAL  14   2.172   5.877  -3.863
  100    HA   VAL  14           HA       VAL  14   1.328   3.206  -4.679
  101    HB   VAL  14           HB       VAL  14   0.645   4.940  -2.284
  102   1HG1  VAL  14          HG11      VAL  14  -0.189   2.126  -3.009
  103   2HG1  VAL  14          HG13      VAL  14  -0.201   2.715  -1.345
  104   3HG1  VAL  14          HG12      VAL  14  -1.222   3.484  -2.559
  105   1HG2  VAL  14          HG22      VAL  14   2.465   2.552  -2.696
  106   2HG2  VAL  14          HG21      VAL  14   2.950   4.195  -2.282
  107   3HG2  VAL  14          HG23      VAL  14   2.064   3.218  -1.113
  108    H    ILE  15           HN       ILE  15  -0.462   6.194  -3.797
  109    HA   ILE  15           HA       ILE  15  -2.935   5.152  -4.923
  110    HB   ILE  15           HB       ILE  15  -2.238   7.989  -4.118
  111   1HG1  ILE  15          HG12      ILE  15  -3.768   5.949  -2.483
  112   2HG1  ILE  15          HG11      ILE  15  -2.016   6.059  -2.375
  113   1HG2  ILE  15          HG22      ILE  15  -4.872   6.552  -4.572
  114   2HG2  ILE  15          HG21      ILE  15  -4.730   8.158  -3.858
  115   3HG2  ILE  15          HG23      ILE  15  -4.225   7.887  -5.525
  116   1HD1  ILE  15          HD13      ILE  15  -2.362   8.564  -1.908
  117   2HD1  ILE  15          HD12      ILE  15  -4.055   8.153  -1.636
  118   3HD1  ILE  15          HD11      ILE  15  -2.800   7.436  -0.629
  119    H    ALA  16           HN       ALA  16  -0.601   7.664  -5.999
  120    HA   ALA  16           HA       ALA  16  -1.999   8.440  -8.331
  121   1HB   ALA  16           HB1      ALA  16   0.160   9.458  -7.407
  122   2HB   ALA  16           HB3      ALA  16   1.007   8.151  -8.236
  123   3HB   ALA  16           HB2      ALA  16   0.056   9.312  -9.160
  124    H    GLY  17           HN       GLY  17   0.276   5.756  -7.842
  125   1HA   GLY  17           HA2      GLY  17   0.151   4.852 -10.588
  126   2HA   GLY  17           HA1      GLY  17   0.797   3.937  -9.228
  127    H    LEU  18           HN       LEU  18  -1.386   3.686  -7.572
  128    HA   LEU  18           HA       LEU  18  -2.883   1.598  -8.859
  129   1HB   LEU  18           HB2      LEU  18  -3.102   3.066  -6.236
  130   2HB   LEU  18           HB1      LEU  18  -4.359   1.935  -6.702
  131    HG   LEU  18           HG       LEU  18  -1.450   1.124  -6.774
  132   1HD1  LEU  18          HD11      LEU  18  -2.006   1.984  -4.485
  133   2HD1  LEU  18          HD13      LEU  18  -3.321   0.814  -4.409
  134   3HD1  LEU  18          HD12      LEU  18  -1.651   0.259  -4.511
  135   1HD2  LEU  18          HD23      LEU  18  -4.102  -0.335  -6.584
  136   2HD2  LEU  18          HD22      LEU  18  -2.895  -0.460  -7.862
  137   3HD2  LEU  18          HD21      LEU  18  -2.565  -1.130  -6.270
  138    H    LYS  19           HN       LYS  19  -3.869   4.838  -7.767
  139    HA   LYS  19           HA       LYS  19  -6.511   4.772  -8.815
  140   1HB   LYS  19           HB2      LYS  19  -5.388   6.438  -7.175
  141   2HB   LYS  19           HB1      LYS  19  -4.860   7.289  -8.624
  142   1HG   LYS  19           HG2      LYS  19  -7.286   7.298  -9.373
  143   2HG   LYS  19           HG1      LYS  19  -7.704   6.706  -7.765
  144   1HD   LYS  19           HD2      LYS  19  -6.344   8.720  -6.876
  145   2HD   LYS  19           HD1      LYS  19  -6.452   9.350  -8.520
  146   1HE   LYS  19           HE2      LYS  19  -8.999   8.927  -8.302
  147   2HE   LYS  19           HE1      LYS  19  -8.686   8.798  -6.570
  148   1HZ   LYS  19           HZ3      LYS  19  -7.492  11.078  -7.911
  149   2HZ   LYS  19           HZ2      LYS  19  -9.186  11.095  -7.802
  150   3HZ   LYS  19           HZ1      LYS  19  -8.242  10.980  -6.393
  151    H    LYS  20           HN       LYS  20  -3.471   5.228 -10.438
  152    HA   LYS  20           HA       LYS  20  -4.406   6.714 -12.676
  153   1HB   LYS  20           HB2      LYS  20  -2.040   5.016 -12.086
  154   2HB   LYS  20           HB1      LYS  20  -2.441   5.128 -13.796
  155   1HG   LYS  20           HG2      LYS  20  -2.305   7.624 -12.103
  156   2HG   LYS  20           HG1      LYS  20  -0.828   6.908 -12.749
  157   1HD   LYS  20           HD2      LYS  20  -1.510   7.229 -14.991
  158   2HD   LYS  20           HD1      LYS  20  -3.197   7.470 -14.535
  159   1HE   LYS  20           HE2      LYS  20  -0.984   9.349 -13.680
  160   2HE   LYS  20           HE1      LYS  20  -1.926   9.587 -15.152
  161   1HZ   LYS  20           HZ1      LYS  20  -3.088   9.320 -12.434
  162   2HZ   LYS  20           HZ3      LYS  20  -2.819  10.798 -13.221
  163   3HZ   LYS  20           HZ2      LYS  20  -3.927   9.682 -13.865
  164    H    ARG  21           HN       ARG  21  -4.847   3.441 -11.734
  165    HA   ARG  21           HA       ARG  21  -5.990   2.734 -14.392
  166   1HB   ARG  21           HB2      ARG  21  -5.294   1.175 -11.887
  167   2HB   ARG  21           HB1      ARG  21  -6.331   0.486 -13.138
  168   1HG   ARG  21           HG2      ARG  21  -4.616   0.405 -14.719
  169   2HG   ARG  21           HG1      ARG  21  -3.709   1.712 -13.961
  170   1HD   ARG  21           HD2      ARG  21  -2.942   0.289 -12.200
  171   2HD   ARG  21           HD1      ARG  21  -4.070  -0.996 -12.649
  172    HE   ARG  21           HE       ARG  21  -2.547  -0.680 -14.924
  173   1HH1  ARG  21          HH21      ARG  21  -1.901  -1.111 -11.566
  174   2HH1  ARG  21          HH22      ARG  21  -0.431  -1.989 -11.825
  175   1HH2  ARG  21          HH11      ARG  21  -0.631  -1.826 -15.282
  176   2HH2  ARG  21          HH12      ARG  21   0.288  -2.395 -13.929
  177    H    LYS  22           HN       LYS  22  -7.278   1.395 -11.457
  178    HA   LYS  22           HA       LYS  22  -9.402   3.385 -11.259
  179   1HB   LYS  22           HB2      LYS  22 -11.235   1.680 -11.626
  180   2HB   LYS  22           HB1      LYS  22 -10.349   2.124 -13.084
  181   1HG   LYS  22           HG2      LYS  22  -9.161   0.089 -13.138
  182   2HG   LYS  22           HG1      LYS  22  -9.490  -0.255 -11.440
  183   1HD   LYS  22           HD2      LYS  22 -10.848  -1.653 -13.023
  184   2HD   LYS  22           HD1      LYS  22 -11.829  -0.687 -11.922
  185   1HE   LYS  22           HE2      LYS  22 -12.570  -0.648 -14.356
  186   2HE   LYS  22           HE1      LYS  22 -12.303   0.935 -13.625
  187   1HZ   LYS  22           HZ1      LYS  22 -10.201  -0.498 -15.143
  188   2HZ   LYS  22           HZ3      LYS  22 -11.290   0.570 -15.884
  189   3HZ   LYS  22           HZ2      LYS  22 -10.231   1.138 -14.683
  190    H    LEU  23           HN       LEU  23  -7.615   2.743  -9.307
  191    HA   LEU  23           HA       LEU  23  -9.305   1.210  -7.346
  192   1HB   LEU  23           HB2      LEU  23  -6.291   1.124  -7.535
  193   2HB   LEU  23           HB1      LEU  23  -7.267   0.279  -6.349
  194    HG   LEU  23           HG       LEU  23  -7.412  -0.183  -9.345
  195   1HD1  LEU  23          HD12      LEU  23  -5.962  -1.646  -7.122
  196   2HD1  LEU  23          HD11      LEU  23  -6.229  -2.334  -8.725
  197   3HD1  LEU  23          HD13      LEU  23  -5.246  -0.881  -8.542
  198   1HD2  LEU  23          HD22      LEU  23  -8.672  -1.509  -6.930
  199   2HD2  LEU  23          HD21      LEU  23  -9.482  -0.865  -8.354
  200   3HD2  LEU  23          HD23      LEU  23  -8.530  -2.340  -8.475
  201    H    SER  24           HN       SER  24  -9.284   2.052  -5.230
  202    HA   SER  24           HA       SER  24  -7.525   4.359  -4.630
  203   1HB   SER  24           HB2      SER  24  -9.569   5.665  -3.844
  204   2HB   SER  24           HB1      SER  24  -9.376   5.532  -5.591
  205    HG   SER  24           HG       SER  24 -11.034   4.172  -5.682
  206    H    LEU  25           HN       LEU  25  -6.817   4.113  -2.560
  207    HA   LEU  25           HA       LEU  25  -7.243   2.053  -0.830
  208   1HB   LEU  25           HB2      LEU  25  -7.102   4.940   0.084
  209   2HB   LEU  25           HB1      LEU  25  -6.680   3.526   1.052
  210    HG   LEU  25           HG       LEU  25  -5.312   4.034  -1.595
  211   1HD1  LEU  25          HD11      LEU  25  -4.581   5.200   1.106
  212   2HD1  LEU  25          HD13      LEU  25  -3.500   5.169  -0.288
  213   3HD1  LEU  25          HD12      LEU  25  -4.999   6.099  -0.352
  214   1HD2  LEU  25          HD23      LEU  25  -4.566   2.581   0.966
  215   2HD2  LEU  25          HD22      LEU  25  -4.930   1.851  -0.598
  216   3HD2  LEU  25          HD21      LEU  25  -3.468   2.814  -0.392
  217    H    SER  26           HN       SER  26  -9.194   5.043  -0.558
  218    HA   SER  26           HA       SER  26 -10.987   4.185   1.398
  219   1HB   SER  26           HB2      SER  26 -11.088   6.456   0.614
  220   2HB   SER  26           HB1      SER  26 -11.477   5.933  -1.022
  221    HG   SER  26           HG       SER  26 -13.165   4.954   0.907
  222    H    ALA  27           HN       ALA  27 -11.153   3.530  -2.101
  223    HA   ALA  27           HA       ALA  27 -13.695   2.171  -1.959
  224   1HB   ALA  27           HB3      ALA  27 -11.461   2.148  -3.997
  225   2HB   ALA  27           HB2      ALA  27 -12.957   1.239  -4.215
  226   3HB   ALA  27           HB1      ALA  27 -13.004   2.998  -4.094
  227    H    LEU  28           HN       LEU  28 -10.333   0.967  -2.049
  228    HA   LEU  28           HA       LEU  28 -11.005  -1.807  -1.975
  229   1HB   LEU  28           HB2      LEU  28  -8.574  -0.192  -1.223
  230   2HB   LEU  28           HB1      LEU  28  -8.620  -1.921  -0.878
  231    HG   LEU  28           HG       LEU  28  -8.943  -2.448  -3.199
  232   1HD1  LEU  28          HD12      LEU  28  -9.335   0.526  -3.494
  233   2HD1  LEU  28          HD11      LEU  28  -8.916  -0.481  -4.870
  234   3HD1  LEU  28          HD13      LEU  28 -10.415  -0.773  -3.996
  235   1HD2  LEU  28          HD23      LEU  28  -6.623  -1.934  -2.463
  236   2HD2  LEU  28          HD22      LEU  28  -6.872  -1.547  -4.167
  237   3HD2  LEU  28          HD21      LEU  28  -6.857  -0.257  -2.963
  238    H    SER  29           HN       SER  29 -10.862   0.635   0.498
  239    HA   SER  29           HA       SER  29 -10.676  -1.110   2.770
  240   1HB   SER  29           HB2      SER  29 -11.869   1.658   2.488
  241   2HB   SER  29           HB1      SER  29 -11.623   0.833   4.025
  242    HG   SER  29           HG       SER  29  -9.745   1.809   2.175
  243    H    ARG  30           HN       ARG  30 -13.568   0.636   1.517
  244    HA   ARG  30           HA       ARG  30 -15.388  -0.900   3.125
  245   1HB   ARG  30           HB2      ARG  30 -17.146   0.111   1.625
  246   2HB   ARG  30           HB1      ARG  30 -16.072   1.286   2.382
  247   1HG   ARG  30           HG2      ARG  30 -14.802   1.562   0.375
  248   2HG   ARG  30           HG1      ARG  30 -15.559   0.161  -0.378
  249   1HD   ARG  30           HD2      ARG  30 -17.315   2.436   0.503
  250   2HD   ARG  30           HD1      ARG  30 -16.381   2.608  -0.982
  251    HE   ARG  30           HE       ARG  30 -17.595   0.140  -1.270
  252   1HH1  ARG  30          HH21      ARG  30 -18.619   3.344  -0.509
  253   2HH1  ARG  30          HH22      ARG  30 -20.173   3.166  -1.252
  254   1HH2  ARG  30          HH11      ARG  30 -19.619  -0.108  -2.248
  255   2HH2  ARG  30          HH12      ARG  30 -20.739   1.213  -2.235
  256    H    GLN  31           HN       GLN  31 -13.920  -1.533   0.039
  257    HA   GLN  31           HA       GLN  31 -15.944  -3.286  -0.993
  258   1HB   GLN  31           HB2      GLN  31 -13.031  -2.832  -1.524
  259   2HB   GLN  31           HB1      GLN  31 -13.762  -4.295  -2.173
  260   1HG   GLN  31           HG2      GLN  31 -15.529  -2.878  -3.244
  261   2HG   GLN  31           HG1      GLN  31 -14.664  -1.443  -2.688
  262   1HE2  GLN  31          HE22      GLN  31 -13.433  -3.322  -6.029
  263   2HE2  GLN  31          HE21      GLN  31 -14.877  -3.723  -5.233
  264    H    PHE  32           HN       PHE  32 -13.339  -3.765   1.336
  265    HA   PHE  32           HA       PHE  32 -14.008  -6.684   1.476
  266   1HB   PHE  32           HB2      PHE  32 -11.615  -5.060   2.358
  267   2HB   PHE  32           HB1      PHE  32 -11.907  -6.683   2.989
  268    HD1  PHE  32           HD2      PHE  32 -11.885  -8.653   1.505
  269    HD2  PHE  32           HD1      PHE  32 -11.004  -4.706   0.017
  270    HE1  PHE  32           HE2      PHE  32 -10.963  -9.645  -0.583
  271    HE2  PHE  32           HE1      PHE  32 -10.087  -5.698  -2.072
  272    HZ   PHE  32           HZ       PHE  32 -10.067  -8.166  -2.372
  273    H    GLY  33           HN       GLY  33 -14.136  -3.684   3.305
  274   1HA   GLY  33           HA2      GLY  33 -16.100  -3.800   4.963
  275   2HA   GLY  33           HA1      GLY  33 -15.260  -5.191   5.638
  276    H    TYR  34           HN       TYR  34 -12.648  -4.383   5.757
  277    HA   TYR  34           HA       TYR  34 -12.489  -2.903   8.106
  278   1HB   TYR  34           HB2      TYR  34 -10.370  -2.646   5.971
  279   2HB   TYR  34           HB1      TYR  34 -10.166  -2.632   7.722
  280    HD1  TYR  34           HD2      TYR  34 -11.615  -4.903   8.745
  281    HD2  TYR  34           HD1      TYR  34  -9.380  -4.564   5.073
  282    HE1  TYR  34           HE2      TYR  34 -11.282  -7.362   8.721
  283    HE2  TYR  34           HE1      TYR  34  -9.051  -7.019   5.056
  284    HH   TYR  34           HH       TYR  34  -9.080  -8.898   6.524
  285    H    ALA  35           HN       ALA  35 -12.985  -0.859   8.615
  286    HA   ALA  35           HA       ALA  35 -14.009   1.056   6.876
  287   1HB   ALA  35           HB2      ALA  35 -13.208   0.941   9.639
  288   2HB   ALA  35           HB1      ALA  35 -12.656   2.477   8.978
  289   3HB   ALA  35           HB3      ALA  35 -14.365   2.044   8.898
  290    HA   PRO  36           HA       PRO  36 -10.709   2.898   4.628
  291   1HB   PRO  36           HB2      PRO  36 -11.129   5.662   5.261
  292   2HB   PRO  36           HB1      PRO  36 -11.766   4.781   3.865
  293   1HG   PRO  36           HG2      PRO  36 -13.198   5.670   6.269
  294   2HG   PRO  36           HG1      PRO  36 -13.865   5.034   4.758
  295   1HD   PRO  36           HD2      PRO  36 -13.736   3.665   7.256
  296   2HD   PRO  36           HD1      PRO  36 -14.173   2.965   5.683
  297    H    THR  37           HN       THR  37 -11.064   3.764   8.003
  298    HA   THR  37           HA       THR  37  -8.542   5.083   8.353
  299    HB   THR  37           HB       THR  37  -8.868   4.664  10.735
  300    HG1  THR  37           HG1      THR  37 -11.170   3.187  10.308
  301   1HG2  THR  37          HG23      THR  37 -11.426   5.239   9.222
  302   2HG2  THR  37          HG22      THR  37 -11.234   5.494  10.957
  303   3HG2  THR  37          HG21      THR  37 -10.254   6.416   9.817
  304    H    THR  38           HN       THR  38  -9.504   1.683   8.860
  305    HA   THR  38           HA       THR  38  -7.003   0.690   9.709
  306    HB   THR  38           HB       THR  38  -9.273  -0.557   8.158
  307    HG1  THR  38           HG1      THR  38  -9.862  -1.232  10.093
  308   1HG2  THR  38          HG23      THR  38  -6.638  -1.767   8.975
  309   2HG2  THR  38          HG22      THR  38  -8.096  -2.758   8.905
  310   3HG2  THR  38          HG21      THR  38  -7.512  -1.946   7.452
  311    H    LEU  39           HN       LEU  39  -8.294   0.462   6.371
  312    HA   LEU  39           HA       LEU  39  -5.983  -0.464   5.134
  313   1HB   LEU  39           HB2      LEU  39  -8.322  -0.007   4.132
  314   2HB   LEU  39           HB1      LEU  39  -7.725   1.623   3.829
  315    HG   LEU  39           HG       LEU  39  -5.787   0.618   2.597
  316   1HD1  LEU  39          HD12      LEU  39  -7.234  -1.903   3.348
  317   2HD1  LEU  39          HD11      LEU  39  -6.477  -1.841   1.760
  318   3HD1  LEU  39          HD13      LEU  39  -5.501  -1.611   3.207
  319   1HD2  LEU  39          HD21      LEU  39  -8.560  -0.056   1.587
  320   2HD2  LEU  39          HD23      LEU  39  -7.737   1.493   1.424
  321   3HD2  LEU  39          HD22      LEU  39  -7.115   0.078   0.583
  322    H    ALA  40           HN       ALA  40  -6.901   3.006   5.271
  323    HA   ALA  40           HA       ALA  40  -4.469   4.013   4.256
  324   1HB   ALA  40           HB3      ALA  40  -6.346   5.219   6.311
  325   2HB   ALA  40           HB2      ALA  40  -5.048   6.107   5.511
  326   3HB   ALA  40           HB1      ALA  40  -6.392   5.468   4.566
  327    H    ASN  41           HN       ASN  41  -5.381   3.448   7.656
  328    HA   ASN  41           HA       ASN  41  -2.983   4.303   8.865
  329   1HB   ASN  41           HB2      ASN  41  -4.993   3.768  10.161
  330   2HB   ASN  41           HB1      ASN  41  -4.836   2.062   9.727
  331   1HD2  ASN  41          HD22      ASN  41  -3.125   1.890  12.867
  332   2HD2  ASN  41          HD21      ASN  41  -4.622   1.632  12.109
  333    H    ALA  42           HN       ALA  42  -3.393   1.670   6.745
  334    HA   ALA  42           HA       ALA  42  -1.420  -0.099   7.922
  335   1HB   ALA  42           HB3      ALA  42  -3.149  -0.846   6.263
  336   2HB   ALA  42           HB2      ALA  42  -2.289   0.068   5.022
  337   3HB   ALA  42           HB1      ALA  42  -1.507  -1.303   5.809
  338    H    LEU  43           HN       LEU  43  -1.157   2.898   6.447
  339    HA   LEU  43           HA       LEU  43   1.434   2.410   5.144
  340   1HB   LEU  43           HB2      LEU  43   0.061   5.046   5.734
  341   2HB   LEU  43           HB1      LEU  43   1.384   4.781   4.601
  342    HG   LEU  43           HG       LEU  43  -1.316   3.425   4.357
  343   1HD1  LEU  43          HD13      LEU  43  -1.463   5.924   4.185
  344   2HD1  LEU  43          HD12      LEU  43  -0.308   5.856   2.854
  345   3HD1  LEU  43          HD11      LEU  43  -1.888   5.091   2.690
  346   1HD2  LEU  43          HD23      LEU  43   1.129   3.671   2.586
  347   2HD2  LEU  43          HD22      LEU  43   0.311   2.203   3.117
  348   3HD2  LEU  43          HD21      LEU  43  -0.453   3.253   1.927
  349    H    GLU  44           HN       GLU  44   0.491   2.751   8.328
  350    HA   GLU  44           HA       GLU  44   3.169   3.886   9.083
  351   1HB   GLU  44           HB2      GLU  44   0.535   4.397  10.487
  352   2HB   GLU  44           HB1      GLU  44   2.110   5.032  10.964
  353   1HG   GLU  44           HG2      GLU  44   2.241   6.071   8.632
  354   2HG   GLU  44           HG1      GLU  44   0.530   5.672   8.467
  355    H    ARG  45           HN       ARG  45   0.373   2.140  10.544
  356    HA   ARG  45           HA       ARG  45   2.078   0.956  12.562
  357   1HB   ARG  45           HB2      ARG  45  -0.450   1.354  12.722
  358   2HB   ARG  45           HB1      ARG  45  -0.629  -0.100  11.734
  359   1HG   ARG  45           HG2      ARG  45   0.635  -1.403  13.395
  360   2HG   ARG  45           HG1      ARG  45   0.862   0.046  14.375
  361   1HD   ARG  45           HD2      ARG  45  -0.985  -0.937  15.415
  362   2HD   ARG  45           HD1      ARG  45  -1.771   0.173  14.290
  363    HE   ARG  45           HE       ARG  45  -1.536  -2.167  12.834
  364   1HH1  ARG  45          HH21      ARG  45  -2.768  -1.270  15.928
  365   2HH1  ARG  45          HH22      ARG  45  -3.993  -2.494  15.943
  366   1HH2  ARG  45          HH11      ARG  45  -3.124  -3.775  12.839
  367   2HH2  ARG  45          HH12      ARG  45  -4.191  -3.916  14.197
  368    H    HIS  46           HN       HIS  46   2.739  -1.229  12.740
  369    HA   HIS  46           HA       HIS  46   3.565  -2.461  10.256
  370   1HB   HIS  46           HB2      HIS  46   4.918  -2.726  12.269
  371   2HB   HIS  46           HB1      HIS  46   3.571  -3.499  13.110
  372    HD1  HIS  46           HD1      HIS  46   5.922  -4.072  10.185
  373    HD2  HIS  46           HD2      HIS  46   3.300  -6.236  12.601
  374    HE1  HIS  46           HE1      HIS  46   6.248  -6.513   9.591
  375    H    TRP  47           HN       TRP  47   2.140  -3.483   8.960
  376    HA   TRP  47           HA       TRP  47   0.535  -5.681   9.957
  377   1HB   TRP  47           HB2      TRP  47  -0.891  -3.724  10.580
  378   2HB   TRP  47           HB1      TRP  47  -0.912  -3.232   8.888
  379    HD1  TRP  47           HD1      TRP  47  -1.394  -6.801  10.353
  380    HE1  TRP  47           HE1      TRP  47  -3.647  -7.704   9.511
  381    HE3  TRP  47           HE3      TRP  47  -3.110  -2.685   7.842
  382    HZ2  TRP  47           HZ2      TRP  47  -5.899  -6.811   7.979
  383    HZ3  TRP  47           HZ3      TRP  47  -5.320  -2.738   6.706
  384    HH2  TRP  47           HH2      TRP  47  -6.717  -4.797   6.776
  385    HA   PRO  48           HA       PRO  48   2.201  -5.620   5.585
  386   1HB   PRO  48           HB2      PRO  48   2.814  -8.446   6.102
  387   2HB   PRO  48           HB1      PRO  48   3.910  -7.135   5.635
  388   1HG   PRO  48           HG2      PRO  48   3.771  -8.321   8.195
  389   2HG   PRO  48           HG1      PRO  48   4.571  -6.786   7.812
  390   1HD   PRO  48           HD2      PRO  48   2.050  -7.231   9.259
  391   2HD   PRO  48           HD1      PRO  48   3.021  -5.745   9.144
  392    H    LYS  49           HN       LYS  49  -0.192  -7.448   7.311
  393    HA   LYS  49           HA       LYS  49  -1.124  -9.029   5.070
  394   1HB   LYS  49           HB2      LYS  49  -1.653  -9.389   7.568
  395   2HB   LYS  49           HB1      LYS  49  -2.830  -8.091   7.384
  396   1HG   LYS  49           HG2      LYS  49  -4.221  -9.865   6.872
  397   2HG   LYS  49           HG1      LYS  49  -3.573  -9.579   5.259
  398   1HD   LYS  49           HD2      LYS  49  -1.741 -11.263   5.840
  399   2HD   LYS  49           HD1      LYS  49  -2.697 -11.669   7.265
  400   1HE   LYS  49           HE2      LYS  49  -3.646 -11.836   4.389
  401   2HE   LYS  49           HE1      LYS  49  -3.228 -13.203   5.421
  402   1HZ   LYS  49           HZ2      LYS  49  -4.976 -12.445   6.972
  403   2HZ   LYS  49           HZ1      LYS  49  -5.435 -11.266   5.839
  404   3HZ   LYS  49           HZ3      LYS  49  -5.582 -12.910   5.455
  405    H    GLY  50           HN       GLY  50  -1.825  -5.794   6.292
  406   1HA   GLY  50           HA2      GLY  50  -4.111  -5.300   4.610
  407   2HA   GLY  50           HA1      GLY  50  -3.120  -4.057   5.379
  408    H    GLU  51           HN       GLU  51  -0.649  -5.202   4.096
  409    HA   GLU  51           HA       GLU  51  -0.721  -3.590   1.697
  410   1HB   GLU  51           HB2      GLU  51   1.333  -5.668   2.517
  411   2HB   GLU  51           HB1      GLU  51   1.570  -4.336   1.383
  412   1HG   GLU  51           HG2      GLU  51   1.058  -2.736   3.237
  413   2HG   GLU  51           HG1      GLU  51   0.993  -4.100   4.346
  414    H    GLN  52           HN       GLN  52  -1.032  -7.024   2.435
  415    HA   GLN  52           HA       GLN  52  -0.822  -8.022  -0.232
  416   1HB   GLN  52           HB2      GLN  52  -2.408  -9.032   2.151
  417   2HB   GLN  52           HB1      GLN  52  -2.208  -9.936   0.648
  418   1HG   GLN  52           HG2      GLN  52   0.220  -9.939   0.932
  419   2HG   GLN  52           HG1      GLN  52   0.075  -8.951   2.385
  420   1HE2  GLN  52          HE22      GLN  52   0.046 -12.827   2.935
  421   2HE2  GLN  52          HE21      GLN  52   0.842 -11.980   1.698
  422    H    ILE  53           HN       ILE  53  -3.500  -6.597   1.593
  423    HA   ILE  53           HA       ILE  53  -5.614  -7.178  -0.226
  424    HB   ILE  53           HB       ILE  53  -5.271  -4.625   1.385
  425   1HG1  ILE  53          HG12      ILE  53  -6.397  -7.327   2.195
  426   2HG1  ILE  53          HG11      ILE  53  -4.933  -6.574   2.832
  427   1HG2  ILE  53          HG23      ILE  53  -7.151  -4.832  -0.359
  428   2HG2  ILE  53          HG22      ILE  53  -7.825  -6.083   0.684
  429   3HG2  ILE  53          HG21      ILE  53  -7.640  -4.436   1.288
  430   1HD1  ILE  53          HD13      ILE  53  -6.475  -4.594   3.488
  431   2HD1  ILE  53          HD12      ILE  53  -7.804  -5.725   3.231
  432   3HD1  ILE  53          HD11      ILE  53  -6.583  -6.065   4.453
  433    H    ILE  54           HN       ILE  54  -3.563  -4.237  -0.041
  434    HA   ILE  54           HA       ILE  54  -4.570  -3.093  -2.471
  435    HB   ILE  54           HB       ILE  54  -1.997  -2.676  -0.928
  436   1HG1  ILE  54          HG12      ILE  54  -4.479  -0.964  -1.255
  437   2HG1  ILE  54          HG11      ILE  54  -4.209  -2.054   0.105
  438   1HG2  ILE  54          HG22      ILE  54  -3.069  -1.272  -3.386
  439   2HG2  ILE  54          HG21      ILE  54  -1.894  -0.521  -2.307
  440   3HG2  ILE  54          HG23      ILE  54  -1.479  -2.000  -3.170
  441   1HD1  ILE  54          HD13      ILE  54  -1.892  -0.683   0.253
  442   2HD1  ILE  54          HD12      ILE  54  -2.880   0.558  -0.520
  443   3HD1  ILE  54          HD11      ILE  54  -3.362  -0.108   1.036
  444    H    ALA  55           HN       ALA  55  -1.545  -4.909  -1.824
  445    HA   ALA  55           HA       ALA  55  -0.586  -4.884  -4.497
  446   1HB   ALA  55           HB1      ALA  55   0.754  -5.601  -2.529
  447   2HB   ALA  55           HB3      ALA  55  -0.222  -7.065  -2.421
  448   3HB   ALA  55           HB2      ALA  55   0.800  -6.790  -3.832
  449    H    ASN  56           HN       ASN  56  -2.929  -6.977  -2.901
  450    HA   ASN  56           HA       ASN  56  -3.074  -9.040  -4.841
  451   1HB   ASN  56           HB2      ASN  56  -5.074  -7.874  -2.906
  452   2HB   ASN  56           HB1      ASN  56  -5.548  -9.148  -4.025
  453   1HD2  ASN  56          HD22      ASN  56  -4.471 -11.229  -1.301
  454   2HD2  ASN  56          HD21      ASN  56  -5.838 -10.479  -1.972
  455    H    ALA  57           HN       ALA  57  -4.807  -5.929  -4.672
  456    HA   ALA  57           HA       ALA  57  -6.393  -6.321  -7.007
  457   1HB   ALA  57           HB2      ALA  57  -6.777  -4.500  -5.361
  458   2HB   ALA  57           HB1      ALA  57  -5.298  -3.714  -5.912
  459   3HB   ALA  57           HB3      ALA  57  -6.667  -3.884  -7.010
  460    H    LEU  58           HN       LEU  58  -3.024  -5.612  -6.625
  461    HA   LEU  58           HA       LEU  58  -2.752  -4.698  -9.438
  462   1HB   LEU  58           HB2      LEU  58  -0.990  -4.803  -7.011
  463   2HB   LEU  58           HB1      LEU  58  -0.197  -4.832  -8.583
  464    HG   LEU  58           HG       LEU  58  -2.310  -2.756  -7.989
  465   1HD1  LEU  58          HD11      LEU  58   0.635  -2.625  -7.273
  466   2HD1  LEU  58          HD13      LEU  58  -0.454  -1.238  -7.281
  467   3HD1  LEU  58          HD12      LEU  58  -0.721  -2.564  -6.148
  468   1HD2  LEU  58          HD22      LEU  58   0.140  -2.859  -9.788
  469   2HD2  LEU  58          HD21      LEU  58  -1.538  -2.964 -10.310
  470   3HD2  LEU  58          HD23      LEU  58  -0.924  -1.463  -9.624
  471    H    GLU  59           HN       GLU  59  -3.338  -7.576  -8.195
  472    HA   GLU  59           HA       GLU  59  -2.787  -9.783  -8.766
  473   1HB   GLU  59           HB2      GLU  59  -2.081  -8.262 -11.273
  474   2HB   GLU  59           HB1      GLU  59  -1.953 -10.019 -11.173
  475   1HG   GLU  59           HG2      GLU  59  -4.479  -8.538 -10.424
  476   2HG   GLU  59           HG1      GLU  59  -4.164  -9.112 -12.053
  477    H    THR  60           HN       THR  60  -0.545  -7.620  -7.932
  478    HA   THR  60           HA       THR  60   1.790  -9.418  -8.510
  479    HB   THR  60           HB       THR  60   1.832  -6.976  -9.314
  480    HG1  THR  60           HG1      THR  60   3.942  -7.290  -7.562
  481   1HG2  THR  60          HG22      THR  60   0.872  -6.221  -6.999
  482   2HG2  THR  60          HG21      THR  60   2.549  -6.329  -6.465
  483   3HG2  THR  60          HG23      THR  60   2.112  -5.232  -7.773
  484    H    LYS  61           HN       LYS  61   3.518  -8.564  -6.575
  485    HA   LYS  61           HA       LYS  61   2.176  -9.490  -4.075
  486   1HB   LYS  61           HB2      LYS  61   5.081  -9.711  -4.903
  487   2HB   LYS  61           HB1      LYS  61   4.361 -10.431  -3.467
  488   1HG   LYS  61           HG2      LYS  61   4.147 -12.273  -4.839
  489   2HG   LYS  61           HG1      LYS  61   2.688 -11.454  -5.358
  490   1HD   LYS  61           HD2      LYS  61   3.778 -11.988  -7.381
  491   2HD   LYS  61           HD1      LYS  61   4.189 -10.298  -7.126
  492   1HE   LYS  61           HE2      LYS  61   6.395 -10.796  -6.491
  493   2HE   LYS  61           HE1      LYS  61   6.015 -12.472  -6.107
  494   1HZ   LYS  61           HZ3      LYS  61   5.783 -11.391  -8.848
  495   2HZ   LYS  61           HZ2      LYS  61   7.231 -12.054  -8.255
  496   3HZ   LYS  61           HZ1      LYS  61   5.834 -13.014  -8.361
  497    HA   PRO  62           HA       PRO  62   3.077  -5.592  -2.146
  498   1HB   PRO  62           HB2      PRO  62   4.038  -6.688   0.358
  499   2HB   PRO  62           HB1      PRO  62   2.442  -6.024   0.008
  500   1HG   PRO  62           HG2      PRO  62   3.202  -8.829   0.309
  501   2HG   PRO  62           HG1      PRO  62   1.578  -8.142   0.152
  502   1HD   PRO  62           HD2      PRO  62   2.968  -9.645  -1.829
  503   2HD   PRO  62           HD1      PRO  62   1.464  -8.729  -2.056
  504    H    GLU  63           HN       GLU  63   5.531  -8.136  -2.104
  505    HA   GLU  63           HA       GLU  63   7.733  -6.586  -1.211
  506   1HB   GLU  63           HB2      GLU  63   9.135  -8.282  -2.111
  507   2HB   GLU  63           HB1      GLU  63   7.648  -9.106  -1.642
  508   1HG   GLU  63           HG2      GLU  63   6.936  -8.573  -4.145
  509   2HG   GLU  63           HG1      GLU  63   8.675  -8.460  -4.396
  510    H    VAL  64           HN       VAL  64   5.848  -6.130  -3.967
  511    HA   VAL  64           HA       VAL  64   8.045  -4.957  -5.590
  512    HB   VAL  64           HB       VAL  64   5.070  -5.113  -6.171
  513   1HG1  VAL  64          HG13      VAL  64   7.476  -4.596  -7.947
  514   2HG1  VAL  64          HG12      VAL  64   5.810  -4.742  -8.504
  515   3HG1  VAL  64          HG11      VAL  64   6.276  -3.396  -7.466
  516   1HG2  VAL  64          HG23      VAL  64   7.362  -6.939  -6.961
  517   2HG2  VAL  64          HG22      VAL  64   5.996  -7.358  -5.925
  518   3HG2  VAL  64          HG21      VAL  64   5.734  -7.026  -7.636
  519    H    ILE  65           HN       ILE  65   5.317  -3.962  -3.586
  520    HA   ILE  65           HA       ILE  65   5.595  -1.138  -4.425
  521    HB   ILE  65           HB       ILE  65   3.804  -2.432  -2.355
  522   1HG1  ILE  65          HG12      ILE  65   2.845  -1.301  -4.977
  523   2HG1  ILE  65          HG11      ILE  65   3.604  -2.894  -4.984
  524   1HG2  ILE  65          HG22      ILE  65   3.951   0.372  -3.472
  525   2HG2  ILE  65          HG21      ILE  65   2.542  -0.245  -2.612
  526   3HG2  ILE  65          HG23      ILE  65   4.094  -0.123  -1.786
  527   1HD1  ILE  65          HD12      ILE  65   1.331  -2.173  -3.111
  528   2HD1  ILE  65          HD11      ILE  65   1.081  -2.916  -4.690
  529   3HD1  ILE  65          HD13      ILE  65   1.984  -3.775  -3.444
  530    H    TRP  66           HN       TRP  66   6.693  -3.229  -1.840
  531    HA   TRP  66           HA       TRP  66   8.010  -0.850  -0.566
  532   1HB   TRP  66           HB2      TRP  66   6.485  -3.078   0.805
  533   2HB   TRP  66           HB1      TRP  66   7.626  -2.032   1.659
  534    HD1  TRP  66           HD1      TRP  66   7.099   0.640   1.586
  535    HE1  TRP  66           HE1      TRP  66   4.849   1.895   1.467
  536    HE3  TRP  66           HE3      TRP  66   4.062  -3.167   0.020
  537    HZ2  TRP  66           HZ2      TRP  66   2.112   1.357   0.794
  538    HZ3  TRP  66           HZ3      TRP  66   1.636  -2.770  -0.355
  539    HH2  TRP  66           HH2      TRP  66   0.659  -0.515   0.030
  540    HA   PRO  67           HA       PRO  67  11.000  -4.300  -1.476
  541   1HB   PRO  67           HB2      PRO  67  12.797  -2.577  -2.822
  542   2HB   PRO  67           HB1      PRO  67  11.639  -3.676  -3.594
  543   1HG   PRO  67           HG2      PRO  67  11.532  -0.739  -3.400
  544   2HG   PRO  67           HG1      PRO  67  10.575  -1.819  -4.425
  545   1HD   PRO  67           HD2      PRO  67   9.704  -0.477  -2.042
  546   2HD   PRO  67           HD1      PRO  67   8.791  -1.654  -3.004
  547    H    SER  68           HN       SER  68  11.145  -1.099  -0.103
  548    HA   SER  68           HA       SER  68  13.807  -1.029   0.865
  549   1HB   SER  68           HB2      SER  68  12.774   0.403   2.740
  550   2HB   SER  68           HB1      SER  68  12.531   0.963   1.089
  551    HG   SER  68           HG       SER  68  10.710  -0.727   2.454
  552    H    ARG  69           HN       ARG  69  11.661  -3.442   1.469
  553    HA   ARG  69           HA       ARG  69  12.985  -4.095   4.071
  554   1HB   ARG  69           HB2      ARG  69  10.038  -4.121   3.401
  555   2HB   ARG  69           HB1      ARG  69  10.684  -5.190   4.651
  556   1HG   ARG  69           HG2      ARG  69  11.663  -3.209   5.799
  557   2HG   ARG  69           HG1      ARG  69  10.929  -2.169   4.584
  558   1HD   ARG  69           HD2      ARG  69   9.220  -4.112   6.118
  559   2HD   ARG  69           HD1      ARG  69   9.672  -2.586   6.864
  560    HE   ARG  69           HE       ARG  69   7.655  -3.022   4.831
  561   1HH1  ARG  69          HH21      ARG  69  10.138  -0.803   5.748
  562   2HH1  ARG  69          HH22      ARG  69   9.497   0.494   4.793
  563   1HH2  ARG  69          HH11      ARG  69   6.817  -1.347   3.599
  564   2HH2  ARG  69          HH12      ARG  69   7.623   0.186   3.579
  565    H    TYR  70           HN       TYR  70  11.949  -5.074   0.945
  566    HA   TYR  70           HA       TYR  70  12.488  -7.968   1.584
  567   1HB   TYR  70           HB2      TYR  70  10.867  -6.600  -0.583
  568   2HB   TYR  70           HB1      TYR  70  11.338  -8.292  -0.691
  569    HD1  TYR  70           HD2      TYR  70  10.752  -9.843   1.309
  570    HD2  TYR  70           HD1      TYR  70   8.979  -5.982   0.655
  571    HE1  TYR  70           HE2      TYR  70   8.859 -10.464   2.804
  572    HE2  TYR  70           HE1      TYR  70   7.072  -6.594   2.144
  573    HH   TYR  70           HH       TYR  70   6.415  -8.104   3.754
  574    H    GLN  71           HN       GLN  71  14.568  -8.488   1.035
  575    HA   GLN  71           HA       GLN  71  15.544  -7.866  -1.653
  576   1HB   GLN  71           HB2      GLN  71  17.541  -6.659  -0.929
  577   2HB   GLN  71           HB1      GLN  71  16.105  -5.801  -0.383
  578   1HG   GLN  71           HG2      GLN  71  16.349  -7.057   1.823
  579   2HG   GLN  71           HG1      GLN  71  17.942  -7.558   1.257
  580   1HE2  GLN  71          HE22      GLN  71  19.238  -4.157   1.326
  581   2HE2  GLN  71          HE21      GLN  71  19.299  -5.554   0.364
  582    H    ALA  72           HN       ALA  72  14.965 -10.265  -0.125
  583    HA   ALA  72           HA       ALA  72  17.661 -11.407   0.436
  584   1HB   ALA  72           HB2      ALA  72  15.783 -11.756   2.066
  585   2HB   ALA  72           HB1      ALA  72  14.928 -12.665   0.819
  586   3HB   ALA  72           HB3      ALA  72  16.465 -13.261   1.448
  587    H    GLY  73           HN       GLY  73  17.647 -10.987  -2.163
  588   1HA   GLY  73           HA2      GLY  73  18.106 -12.231  -4.125
  589   2HA   GLY  73           HA1      GLY  73  17.510 -13.676  -3.310
  590    H    GLU  74           HN       GLU  74  16.788 -13.087  -5.968
  591    HA   GLU  74           HA       GLU  74  13.846 -12.830  -5.646
  592   1HB   GLU  74           HB2      GLU  74  13.884 -11.353  -7.776
  593   2HB   GLU  74           HB1      GLU  74  14.304 -10.586  -6.245
  594   1HG   GLU  74           HG2      GLU  74  16.436 -11.799  -8.008
  595   2HG   GLU  74           HG1      GLU  74  15.858 -10.155  -8.280
   
  No H/Q in entry =         595
  Start of MODEL          29
 Raw file had  612 H/Q atoms
  Start of MODEL   29
    1   1H    CYS   1           HT3      CYS   1  19.475  15.362  -0.624
    2   2H    CYS   1           HT2      CYS   1  20.161  14.364  -1.815
    3   3H    CYS   1           HT1      CYS   1  18.478  14.390  -1.591
    4    HA   CYS   1           HA       CYS   1  19.368  12.396  -0.620
    5   1HB   CYS   1           HB2      CYS   1  20.966  12.610   1.282
    6   2HB   CYS   1           HB1      CYS   1  21.652  13.180  -0.240
    7    HG   CYS   1           HG       CYS   1  22.149  15.129   1.307
    8    H    SER   2           HN       SER   2  16.979  13.471  -0.368
    9    HA   SER   2           HA       SER   2  16.447  14.373   2.380
   10   1HB   SER   2           HB2      SER   2  14.134  14.534   1.657
   11   2HB   SER   2           HB1      SER   2  15.158  15.217   0.398
   12    HG   SER   2           HG       SER   2  15.085  12.883  -0.395
   13    H    ASN   3           HN       ASN   3  16.458  12.854   3.973
   14    HA   ASN   3           HA       ASN   3  15.971  10.036   3.397
   15   1HB   ASN   3           HB2      ASN   3  17.551  10.930   5.183
   16   2HB   ASN   3           HB1      ASN   3  16.115  11.336   6.124
   17   1HD2  ASN   3          HD22      ASN   3  17.457   7.582   6.254
   18   2HD2  ASN   3          HD21      ASN   3  18.373   8.900   5.704
   19    H    GLU   4           HN       GLU   4  14.260   8.789   4.541
   20    HA   GLU   4           HA       GLU   4  12.005   8.415   5.045
   21   1HB   GLU   4           HB2      GLU   4  12.754  10.134   6.885
   22   2HB   GLU   4           HB1      GLU   4  11.793  11.286   5.962
   23   1HG   GLU   4           HG2      GLU   4  10.301  10.381   7.588
   24   2HG   GLU   4           HG1      GLU   4   9.895   9.560   6.081
   25    H    LYS   5           HN       LYS   5   9.853   8.907   4.192
   26    HA   LYS   5           HA       LYS   5   8.491   9.488   2.364
   27   1HB   LYS   5           HB2      LYS   5   9.881  12.135   2.876
   28   2HB   LYS   5           HB1      LYS   5   8.431  11.938   1.895
   29   1HG   LYS   5           HG2      LYS   5   8.562  10.983   4.760
   30   2HG   LYS   5           HG1      LYS   5   8.106  12.634   4.357
   31   1HD   LYS   5           HD2      LYS   5   5.988  11.987   3.822
   32   2HD   LYS   5           HD1      LYS   5   6.584  10.783   2.687
   33   1HE   LYS   5           HE2      LYS   5   6.275  10.407   5.679
   34   2HE   LYS   5           HE1      LYS   5   5.251   9.702   4.428
   35   1HZ   LYS   5           HZ1      LYS   5   8.138   9.247   4.262
   36   2HZ   LYS   5           HZ3      LYS   5   7.272   8.393   5.444
   37   3HZ   LYS   5           HZ2      LYS   5   6.852   8.234   3.806
   38    H    ALA   6           HN       ALA   6  11.421   8.659   1.873
   39    HA   ALA   6           HA       ALA   6  11.399   9.354  -1.016
   40   1HB   ALA   6           HB1      ALA   6  12.842  11.045   0.154
   41   2HB   ALA   6           HB3      ALA   6  13.865   9.721   0.711
   42   3HB   ALA   6           HB2      ALA   6  13.722  10.059  -1.014
   43    H    ARG   7           HN       ARG   7  10.993   6.919   0.713
   44    HA   ARG   7           HA       ARG   7  13.322   5.240  -0.077
   45   1HB   ARG   7           HB2      ARG   7  10.964   4.842   1.779
   46   2HB   ARG   7           HB1      ARG   7  11.926   3.469   1.240
   47   1HG   ARG   7           HG2      ARG   7  12.964   4.042   3.246
   48   2HG   ARG   7           HG1      ARG   7  13.970   4.875   2.068
   49   1HD   ARG   7           HD2      ARG   7  12.000   6.769   2.605
   50   2HD   ARG   7           HD1      ARG   7  12.226   6.009   4.174
   51    HE   ARG   7           HE       ARG   7  13.958   7.924   3.072
   52   1HH1  ARG   7          HH21      ARG   7  14.176   4.691   4.261
   53   2HH1  ARG   7          HH22      ARG   7  15.860   4.807   4.632
   54   1HH2  ARG   7          HH11      ARG   7  16.144   8.090   3.563
   55   2HH2  ARG   7          HH12      ARG   7  16.973   6.729   4.243
   56    H    ASP   8           HN       ASP   8  10.339   3.659   0.244
   57    HA   ASP   8           HA       ASP   8  10.462   2.564  -2.418
   58   1HB   ASP   8           HB2      ASP   8   8.180   2.437  -0.437
   59   2HB   ASP   8           HB1      ASP   8   8.542   1.292  -1.738
   60    H    TRP   9           HN       TRP   9   7.511   2.484  -2.611
   61    HA   TRP   9           HA       TRP   9   7.086   4.574  -4.519
   62   1HB   TRP   9           HB2      TRP   9   5.144   2.761  -3.037
   63   2HB   TRP   9           HB1      TRP   9   4.718   3.778  -4.405
   64    HD1  TRP   9           HD1      TRP   9   7.819   1.429  -4.004
   65    HE1  TRP   9           HE1      TRP   9   7.848  -0.179  -6.000
   66    HE3  TRP   9           HE3      TRP   9   3.449   2.775  -6.274
   67    HZ2  TRP   9           HZ2      TRP   9   6.215  -0.856  -8.253
   68    HZ3  TRP   9           HZ3      TRP   9   2.689   1.615  -8.335
   69    HH2  TRP   9           HH2      TRP   9   4.070  -0.202  -9.326
   70    H    HIS  10           HN       HIS  10   7.065   6.694  -3.765
   71    HA   HIS  10           HA       HIS  10   6.471   7.671  -1.230
   72   1HB   HIS  10           HB2      HIS  10   5.650   8.973  -3.848
   73   2HB   HIS  10           HB1      HIS  10   5.867   9.797  -2.303
   74    HD1  HIS  10           HD1      HIS  10   7.859   7.879  -4.904
   75    HD2  HIS  10           HD2      HIS  10   8.507  10.482  -1.713
   76    HE1  HIS  10           HE1      HIS  10  10.323   8.463  -4.945
   77    H    ARG  11           HN       ARG  11   4.441   8.746  -0.428
   78    HA   ARG  11           HA       ARG  11   2.256   6.976  -0.349
   79   1HB   ARG  11           HB2      ARG  11   2.256   9.979   0.057
   80   2HB   ARG  11           HB1      ARG  11   0.957   8.890   0.549
   81   1HG   ARG  11           HG2      ARG  11   2.740   7.601   1.863
   82   2HG   ARG  11           HG1      ARG  11   3.793   8.988   1.587
   83   1HD   ARG  11           HD2      ARG  11   2.728   9.338   3.713
   84   2HD   ARG  11           HD1      ARG  11   1.963  10.443   2.570
   85    HE   ARG  11           HE       ARG  11   0.371   8.178   2.469
   86   1HH1  ARG  11          HH21      ARG  11   1.596  10.269   4.917
   87   2HH1  ARG  11          HH22      ARG  11   0.235  10.052   5.969
   88   1HH2  ARG  11          HH11      ARG  11  -1.410   7.882   3.824
   89   2HH2  ARG  11          HH12      ARG  11  -1.465   8.699   5.350
   90    H    ALA  12           HN       ALA  12   3.026   9.412  -2.743
   91    HA   ALA  12           HA       ALA  12   0.323   9.251  -3.947
   92   1HB   ALA  12           HB1      ALA  12   1.530  11.410  -3.929
   93   2HB   ALA  12           HB3      ALA  12   2.811  10.693  -4.907
   94   3HB   ALA  12           HB2      ALA  12   1.186  10.866  -5.570
   95    H    ASP  13           HN       ASP  13   3.546   7.918  -4.410
   96    HA   ASP  13           HA       ASP  13   3.080   6.970  -7.099
   97   1HB   ASP  13           HB2      ASP  13   4.986   6.114  -4.916
   98   2HB   ASP  13           HB1      ASP  13   4.935   5.306  -6.484
   99    H    VAL  14           HN       VAL  14   2.149   5.964  -3.940
  100    HA   VAL  14           HA       VAL  14   1.456   3.228  -4.650
  101    HB   VAL  14           HB       VAL  14   0.732   5.018  -2.311
  102   1HG1  VAL  14          HG12      VAL  14  -0.023   2.157  -2.922
  103   2HG1  VAL  14          HG11      VAL  14   0.012   2.782  -1.272
  104   3HG1  VAL  14          HG13      VAL  14  -1.082   3.491  -2.460
  105   1HG2  VAL  14          HG22      VAL  14   2.623   2.671  -2.650
  106   2HG2  VAL  14          HG21      VAL  14   3.069   4.350  -2.360
  107   3HG2  VAL  14          HG23      VAL  14   2.250   3.428  -1.102
  108    H    ILE  15           HN       ILE  15  -0.568   6.083  -3.787
  109    HA   ILE  15           HA       ILE  15  -2.953   4.821  -4.854
  110    HB   ILE  15           HB       ILE  15  -2.579   7.772  -4.305
  111   1HG1  ILE  15          HG12      ILE  15  -3.769   5.946  -2.230
  112   2HG1  ILE  15          HG11      ILE  15  -2.021   5.921  -2.391
  113   1HG2  ILE  15          HG22      ILE  15  -4.972   5.902  -4.365
  114   2HG2  ILE  15          HG21      ILE  15  -5.041   7.576  -3.810
  115   3HG2  ILE  15          HG23      ILE  15  -4.625   7.220  -5.487
  116   1HD1  ILE  15          HD13      ILE  15  -3.628   8.453  -2.027
  117   2HD1  ILE  15          HD12      ILE  15  -2.834   7.580  -0.714
  118   3HD1  ILE  15          HD11      ILE  15  -1.871   8.291  -2.008
  119    H    ALA  16           HN       ALA  16  -0.828   7.463  -6.065
  120    HA   ALA  16           HA       ALA  16  -2.317   8.026  -8.406
  121   1HB   ALA  16           HB1      ALA  16  -0.217   9.228  -7.553
  122   2HB   ALA  16           HB3      ALA  16   0.703   7.958  -8.361
  123   3HB   ALA  16           HB2      ALA  16  -0.348   9.020  -9.298
  124    H    GLY  17           HN       GLY  17   0.171   5.560  -7.839
  125   1HA   GLY  17           HA2      GLY  17   0.150   4.485 -10.501
  126   2HA   GLY  17           HA1      GLY  17   0.735   3.648  -9.062
  127    H    LEU  18           HN       LEU  18  -1.458   3.376  -7.503
  128    HA   LEU  18           HA       LEU  18  -2.898   1.235  -8.741
  129   1HB   LEU  18           HB2      LEU  18  -3.414   2.886  -6.251
  130   2HB   LEU  18           HB1      LEU  18  -4.413   1.506  -6.695
  131    HG   LEU  18           HG       LEU  18  -1.418   1.189  -6.508
  132   1HD1  LEU  18          HD13      LEU  18  -2.288   2.204  -4.357
  133   2HD1  LEU  18          HD12      LEU  18  -3.347   0.805  -4.200
  134   3HD1  LEU  18          HD11      LEU  18  -1.596   0.596  -4.175
  135   1HD2  LEU  18          HD21      LEU  18  -3.779  -0.670  -6.059
  136   2HD2  LEU  18          HD23      LEU  18  -2.756  -0.649  -7.490
  137   3HD2  LEU  18          HD22      LEU  18  -2.086  -1.138  -5.937
  138    H    LYS  19           HN       LYS  19  -4.015   4.480  -7.783
  139    HA   LYS  19           HA       LYS  19  -6.585   4.368  -8.933
  140   1HB   LYS  19           HB2      LYS  19  -5.625   6.176  -7.417
  141   2HB   LYS  19           HB1      LYS  19  -4.844   6.838  -8.849
  142   1HG   LYS  19           HG2      LYS  19  -7.030   7.104  -9.945
  143   2HG   LYS  19           HG1      LYS  19  -7.828   6.385  -8.550
  144   1HD   LYS  19           HD2      LYS  19  -8.086   8.652  -8.063
  145   2HD   LYS  19           HD1      LYS  19  -6.574   8.317  -7.223
  146   1HE   LYS  19           HE2      LYS  19  -6.085  10.267  -8.446
  147   2HE   LYS  19           HE1      LYS  19  -5.445   8.992  -9.479
  148   1HZ   LYS  19           HZ3      LYS  19  -8.241   9.774  -9.832
  149   2HZ   LYS  19           HZ2      LYS  19  -7.045  10.833 -10.411
  150   3HZ   LYS  19           HZ1      LYS  19  -7.117   9.233 -10.980
  151    H    LYS  20           HN       LYS  20  -3.559   4.349 -10.499
  152    HA   LYS  20           HA       LYS  20  -4.045   5.824 -12.844
  153   1HB   LYS  20           HB2      LYS  20  -1.898   4.558 -12.186
  154   2HB   LYS  20           HB1      LYS  20  -2.667   3.133 -12.886
  155   1HG   LYS  20           HG2      LYS  20  -2.998   4.439 -15.009
  156   2HG   LYS  20           HG1      LYS  20  -2.049   5.745 -14.297
  157   1HD   LYS  20           HD2      LYS  20  -0.244   3.911 -13.885
  158   2HD   LYS  20           HD1      LYS  20  -1.155   2.967 -15.065
  159   1HE   LYS  20           HE2      LYS  20   0.422   5.485 -15.461
  160   2HE   LYS  20           HE1      LYS  20   0.313   4.058 -16.494
  161   1HZ   LYS  20           HZ2      LYS  20  -2.171   4.874 -16.662
  162   2HZ   LYS  20           HZ1      LYS  20  -1.458   6.378 -16.322
  163   3HZ   LYS  20           HZ3      LYS  20  -0.961   5.492 -17.680
  164    H    ARG  21           HN       ARG  21  -5.339   2.795 -11.791
  165    HA   ARG  21           HA       ARG  21  -6.734   2.402 -14.397
  166   1HB   ARG  21           HB2      ARG  21  -6.412   0.689 -11.902
  167   2HB   ARG  21           HB1      ARG  21  -7.566   0.298 -13.171
  168   1HG   ARG  21           HG2      ARG  21  -5.732  -0.957 -13.857
  169   2HG   ARG  21           HG1      ARG  21  -5.458   0.525 -14.762
  170   1HD   ARG  21           HD2      ARG  21  -4.145   1.174 -12.487
  171   2HD   ARG  21           HD1      ARG  21  -3.953  -0.578 -12.421
  172    HE   ARG  21           HE       ARG  21  -2.472   1.181 -14.087
  173   1HH1  ARG  21          HH21      ARG  21  -4.291  -1.744 -14.321
  174   2HH1  ARG  21          HH22      ARG  21  -3.601  -2.198 -15.840
  175   1HH2  ARG  21          HH11      ARG  21  -1.557   0.586 -16.053
  176   2HH2  ARG  21          HH12      ARG  21  -2.051  -0.888 -16.814
  177    H    LYS  22           HN       LYS  22  -8.024   1.449 -11.324
  178    HA   LYS  22           HA       LYS  22  -9.703   3.827 -11.048
  179   1HB   LYS  22           HB2      LYS  22 -10.861   1.124 -11.817
  180   2HB   LYS  22           HB1      LYS  22 -11.824   2.384 -11.050
  181   1HG   LYS  22           HG2      LYS  22 -11.071   3.931 -12.937
  182   2HG   LYS  22           HG1      LYS  22 -10.451   2.489 -13.743
  183   1HD   LYS  22           HD2      LYS  22 -12.739   1.467 -13.526
  184   2HD   LYS  22           HD1      LYS  22 -13.319   3.017 -12.917
  185   1HE   LYS  22           HE2      LYS  22 -12.507   4.095 -15.024
  186   2HE   LYS  22           HE1      LYS  22 -12.077   2.496 -15.635
  187   1HZ   LYS  22           HZ1      LYS  22 -14.626   2.163 -14.797
  188   2HZ   LYS  22           HZ3      LYS  22 -14.661   3.742 -15.414
  189   3HZ   LYS  22           HZ2      LYS  22 -14.156   2.458 -16.403
  190    H    LEU  23           HN       LEU  23  -7.984   3.283  -9.193
  191    HA   LEU  23           HA       LEU  23  -9.415   1.703  -7.073
  192   1HB   LEU  23           HB2      LEU  23  -6.449   1.985  -7.541
  193   2HB   LEU  23           HB1      LEU  23  -7.174   1.144  -6.179
  194    HG   LEU  23           HG       LEU  23  -7.459   0.393  -9.106
  195   1HD1  LEU  23          HD11      LEU  23  -5.993  -0.893  -6.780
  196   2HD1  LEU  23          HD13      LEU  23  -6.160  -1.610  -8.385
  197   3HD1  LEU  23          HD12      LEU  23  -5.252  -0.113  -8.178
  198   1HD2  LEU  23          HD23      LEU  23  -8.752  -0.633  -6.577
  199   2HD2  LEU  23          HD22      LEU  23  -9.482  -0.342  -8.155
  200   3HD2  LEU  23          HD21      LEU  23  -8.444  -1.743  -7.913
  201    H    SER  24           HN       SER  24  -9.317   2.520  -4.977
  202    HA   SER  24           HA       SER  24  -7.845   5.017  -4.422
  203   1HB   SER  24           HB2      SER  24 -10.023   6.024  -3.495
  204   2HB   SER  24           HB1      SER  24  -9.844   6.016  -5.248
  205    HG   SER  24           HG       SER  24 -11.025   3.981  -5.178
  206    H    LEU  25           HN       LEU  25  -7.075   4.856  -2.296
  207    HA   LEU  25           HA       LEU  25  -7.403   2.590  -0.700
  208   1HB   LEU  25           HB2      LEU  25  -7.091   5.423   0.342
  209   2HB   LEU  25           HB1      LEU  25  -6.754   3.950   1.258
  210    HG   LEU  25           HG       LEU  25  -5.374   4.456  -1.383
  211   1HD1  LEU  25          HD12      LEU  25  -4.677   5.583   1.338
  212   2HD1  LEU  25          HD11      LEU  25  -3.467   5.369   0.072
  213   3HD1  LEU  25          HD13      LEU  25  -4.835   6.450  -0.190
  214   1HD2  LEU  25          HD23      LEU  25  -4.682   2.895   1.137
  215   2HD2  LEU  25          HD22      LEU  25  -5.147   2.216  -0.422
  216   3HD2  LEU  25          HD21      LEU  25  -3.613   3.061  -0.255
  217    H    SER  26           HN       SER  26  -9.749   4.992  -1.358
  218    HA   SER  26           HA       SER  26 -11.338   4.522   1.054
  219   1HB   SER  26           HB2      SER  26 -12.904   6.034   0.115
  220   2HB   SER  26           HB1      SER  26 -11.344   6.643  -0.423
  221    HG   SER  26           HG       SER  26 -13.424   5.663  -1.864
  222    H    ALA  27           HN       ALA  27 -11.341   3.433  -2.320
  223    HA   ALA  27           HA       ALA  27 -13.723   1.759  -1.899
  224   1HB   ALA  27           HB3      ALA  27 -11.837   2.196  -4.218
  225   2HB   ALA  27           HB2      ALA  27 -13.089   0.956  -4.258
  226   3HB   ALA  27           HB1      ALA  27 -13.535   2.654  -4.095
  227    H    LEU  28           HN       LEU  28 -10.211   1.319  -2.183
  228    HA   LEU  28           HA       LEU  28 -10.182  -1.522  -2.287
  229   1HB   LEU  28           HB2      LEU  28  -8.226   0.434  -1.062
  230   2HB   LEU  28           HB1      LEU  28  -7.886  -1.276  -1.277
  231    HG   LEU  28           HG       LEU  28  -8.704   0.510  -3.580
  232   1HD1  LEU  28          HD12      LEU  28  -5.922  -0.101  -2.536
  233   2HD1  LEU  28          HD11      LEU  28  -6.250   0.628  -4.106
  234   3HD1  LEU  28          HD13      LEU  28  -6.688   1.483  -2.630
  235   1HD2  LEU  28          HD21      LEU  28  -7.454  -2.237  -3.311
  236   2HD2  LEU  28          HD23      LEU  28  -8.904  -1.776  -4.201
  237   3HD2  LEU  28          HD22      LEU  28  -7.316  -1.310  -4.802
  238    H    SER  29           HN       SER  29 -10.178   0.714   0.479
  239    HA   SER  29           HA       SER  29 -10.024  -1.345   2.485
  240   1HB   SER  29           HB2      SER  29  -9.581   1.170   2.744
  241   2HB   SER  29           HB1      SER  29 -11.325   1.362   2.848
  242    HG   SER  29           HG       SER  29 -11.080   0.828   4.862
  243    H    ARG  30           HN       ARG  30 -12.751   0.487   1.094
  244    HA   ARG  30           HA       ARG  30 -14.758  -0.859   2.658
  245   1HB   ARG  30           HB2      ARG  30 -15.468   1.226   1.882
  246   2HB   ARG  30           HB1      ARG  30 -14.754   0.986   0.290
  247   1HG   ARG  30           HG2      ARG  30 -16.533  -0.342  -0.462
  248   2HG   ARG  30           HG1      ARG  30 -17.032  -0.760   1.168
  249   1HD   ARG  30           HD2      ARG  30 -17.159   2.127   0.405
  250   2HD   ARG  30           HD1      ARG  30 -18.364   1.065  -0.310
  251    HE   ARG  30           HE       ARG  30 -18.314   2.067   2.397
  252   1HH1  ARG  30          HH21      ARG  30 -18.932  -0.834   0.624
  253   2HH1  ARG  30          HH22      ARG  30 -19.870  -1.551   1.891
  254   1HH2  ARG  30          HH11      ARG  30 -19.529   1.145   4.039
  255   2HH2  ARG  30          HH12      ARG  30 -20.207  -0.433   3.819
  256    H    GLN  31           HN       GLN  31 -13.169  -1.654  -0.365
  257    HA   GLN  31           HA       GLN  31 -15.192  -3.422  -1.363
  258   1HB   GLN  31           HB2      GLN  31 -12.245  -3.081  -1.845
  259   2HB   GLN  31           HB1      GLN  31 -13.060  -4.499  -2.503
  260   1HG   GLN  31           HG2      GLN  31 -14.522  -3.188  -3.833
  261   2HG   GLN  31           HG1      GLN  31 -14.160  -1.714  -2.928
  262   1HE2  GLN  31          HE22      GLN  31 -12.200  -1.619  -6.118
  263   2HE2  GLN  31          HE21      GLN  31 -13.851  -1.676  -5.730
  264    H    PHE  32           HN       PHE  32 -12.908  -3.771   1.225
  265    HA   PHE  32           HA       PHE  32 -13.476  -6.720   1.360
  266   1HB   PHE  32           HB2      PHE  32 -11.184  -5.027   2.376
  267   2HB   PHE  32           HB1      PHE  32 -11.503  -6.637   3.031
  268    HD1  PHE  32           HD1      PHE  32 -10.534  -4.734   0.004
  269    HD2  PHE  32           HD2      PHE  32 -11.210  -8.645   1.688
  270    HE1  PHE  32           HE1      PHE  32  -9.460  -5.778  -1.984
  271    HE2  PHE  32           HE2      PHE  32 -10.133  -9.687  -0.296
  272    HZ   PHE  32           HZ       PHE  32  -9.259  -8.254  -2.135
  273    H    GLY  33           HN       GLY  33 -13.732  -3.665   3.103
  274   1HA   GLY  33           HA2      GLY  33 -15.826  -3.697   4.589
  275   2HA   GLY  33           HA1      GLY  33 -15.095  -5.106   5.350
  276    H    TYR  34           HN       TYR  34 -12.473  -4.364   5.671
  277    HA   TYR  34           HA       TYR  34 -12.393  -2.932   8.025
  278   1HB   TYR  34           HB2      TYR  34 -10.225  -2.595   5.950
  279   2HB   TYR  34           HB1      TYR  34 -10.054  -2.613   7.706
  280    HD1  TYR  34           HD2      TYR  34 -11.453  -4.903   8.689
  281    HD2  TYR  34           HD1      TYR  34  -9.276  -4.502   4.987
  282    HE1  TYR  34           HE2      TYR  34 -11.120  -7.360   8.618
  283    HE2  TYR  34           HE1      TYR  34  -8.949  -6.960   4.925
  284    HH   TYR  34           HH       TYR  34  -9.056  -8.904   7.256
  285    H    ALA  35           HN       ALA  35 -12.892  -0.898   8.598
  286    HA   ALA  35           HA       ALA  35 -13.919   1.052   6.923
  287   1HB   ALA  35           HB1      ALA  35 -13.028   0.913   9.668
  288   2HB   ALA  35           HB3      ALA  35 -12.552   2.473   8.998
  289   3HB   ALA  35           HB2      ALA  35 -14.246   1.983   8.978
  290    HA   PRO  36           HA       PRO  36 -10.678   2.903   4.603
  291   1HB   PRO  36           HB2      PRO  36 -11.077   5.663   5.336
  292   2HB   PRO  36           HB1      PRO  36 -11.687   4.831   3.899
  293   1HG   PRO  36           HG2      PRO  36 -13.180   5.664   6.265
  294   2HG   PRO  36           HG1      PRO  36 -13.805   4.982   4.757
  295   1HD   PRO  36           HD2      PRO  36 -13.640   3.660   7.297
  296   2HD   PRO  36           HD1      PRO  36 -14.107   2.943   5.739
  297    H    THR  37           HN       THR  37 -10.930   4.013   7.972
  298    HA   THR  37           HA       THR  37  -8.348   5.177   8.211
  299    HB   THR  37           HB       THR  37  -8.584   4.776  10.631
  300    HG1  THR  37           HG1      THR  37 -11.032   3.536  10.291
  301   1HG2  THR  37          HG21      THR  37  -9.851   6.615   9.565
  302   2HG2  THR  37          HG23      THR  37 -11.210   5.518   9.314
  303   3HG2  THR  37          HG22      THR  37 -10.714   5.947  10.951
  304    H    THR  38           HN       THR  38  -9.387   1.803   8.734
  305    HA   THR  38           HA       THR  38  -6.930   0.757   9.629
  306    HB   THR  38           HB       THR  38  -9.149  -0.450   7.961
  307    HG1  THR  38           HG1      THR  38  -9.641  -0.071  10.093
  308   1HG2  THR  38          HG21      THR  38  -6.518  -1.650   8.786
  309   2HG2  THR  38          HG23      THR  38  -7.962  -2.660   8.760
  310   3HG2  THR  38          HG22      THR  38  -7.419  -1.864   7.285
  311    H    LEU  39           HN       LEU  39  -8.093   0.527   6.248
  312    HA   LEU  39           HA       LEU  39  -5.686  -0.279   5.097
  313   1HB   LEU  39           HB2      LEU  39  -7.946  -0.025   3.948
  314   2HB   LEU  39           HB1      LEU  39  -7.569   1.689   3.786
  315    HG   LEU  39           HG       LEU  39  -5.464   1.070   2.598
  316   1HD1  LEU  39          HD12      LEU  39  -6.518  -1.689   3.148
  317   2HD1  LEU  39          HD11      LEU  39  -5.709  -1.418   1.606
  318   3HD1  LEU  39          HD13      LEU  39  -4.852  -1.114   3.114
  319   1HD2  LEU  39          HD21      LEU  39  -7.594   1.637   1.428
  320   2HD2  LEU  39          HD23      LEU  39  -6.542   0.576   0.497
  321   3HD2  LEU  39          HD22      LEU  39  -7.954  -0.085   1.324
  322    H    ALA  40           HN       ALA  40  -6.795   3.096   5.540
  323    HA   ALA  40           HA       ALA  40  -4.534   4.373   4.435
  324   1HB   ALA  40           HB1      ALA  40  -6.614   5.537   5.201
  325   2HB   ALA  40           HB3      ALA  40  -6.098   5.285   6.869
  326   3HB   ALA  40           HB2      ALA  40  -5.142   6.305   5.794
  327    H    ASN  41           HN       ASN  41  -5.088   3.920   7.934
  328    HA   ASN  41           HA       ASN  41  -2.441   4.481   8.744
  329   1HB   ASN  41           HB2      ASN  41  -4.424   4.335  10.263
  330   2HB   ASN  41           HB1      ASN  41  -4.374   2.577  10.098
  331   1HD2  ASN  41          HD22      ASN  41  -0.881   3.943  11.711
  332   2HD2  ASN  41          HD21      ASN  41  -1.381   4.475  10.181
  333    H    ALA  42           HN       ALA  42  -3.482   1.842   6.905
  334    HA   ALA  42           HA       ALA  42  -1.747  -0.189   8.019
  335   1HB   ALA  42           HB1      ALA  42  -3.783  -0.513   6.455
  336   2HB   ALA  42           HB3      ALA  42  -2.668  -0.126   5.146
  337   3HB   ALA  42           HB2      ALA  42  -2.370  -1.528   6.171
  338    H    LEU  43           HN       LEU  43  -0.942   2.660   6.605
  339    HA   LEU  43           HA       LEU  43   1.261   1.675   4.923
  340   1HB   LEU  43           HB2      LEU  43   0.591   4.484   5.842
  341   2HB   LEU  43           HB1      LEU  43   1.775   4.065   4.604
  342    HG   LEU  43           HG       LEU  43  -1.126   3.232   4.388
  343   1HD1  LEU  43          HD11      LEU  43  -1.020   5.692   4.612
  344   2HD1  LEU  43          HD13      LEU  43   0.165   5.755   3.306
  345   3HD1  LEU  43          HD12      LEU  43  -1.483   5.218   2.978
  346   1HD2  LEU  43          HD21      LEU  43   1.193   3.501   2.447
  347   2HD2  LEU  43          HD23      LEU  43   0.286   2.042   2.853
  348   3HD2  LEU  43          HD22      LEU  43  -0.478   3.322   1.915
  349    H    GLU  44           HN       GLU  44   0.779   2.573   8.243
  350    HA   GLU  44           HA       GLU  44   3.743   2.377   8.690
  351   1HB   GLU  44           HB2      GLU  44   1.783   4.368   9.847
  352   2HB   GLU  44           HB1      GLU  44   3.353   4.048  10.584
  353   1HG   GLU  44           HG2      GLU  44   4.437   4.596   8.394
  354   2HG   GLU  44           HG1      GLU  44   2.853   5.054   7.770
  355    H    ARG  45           HN       ARG  45   0.528   1.511   9.724
  356    HA   ARG  45           HA       ARG  45   1.341   0.582  12.360
  357   1HB   ARG  45           HB2      ARG  45  -1.035   1.225  11.611
  358   2HB   ARG  45           HB1      ARG  45  -1.089  -0.353  10.826
  359   1HG   ARG  45           HG2      ARG  45  -2.002  -0.859  12.916
  360   2HG   ARG  45           HG1      ARG  45  -0.305  -1.248  13.182
  361   1HD   ARG  45           HD2      ARG  45  -0.672   0.085  15.040
  362   2HD   ARG  45           HD1      ARG  45  -0.230   1.351  13.895
  363    HE   ARG  45           HE       ARG  45  -2.963   1.142  13.577
  364   1HH1  ARG  45          HH21      ARG  45  -0.799   1.500  16.239
  365   2HH1  ARG  45          HH22      ARG  45  -1.917   2.414  17.197
  366   1HH2  ARG  45          HH11      ARG  45  -4.436   2.335  14.816
  367   2HH2  ARG  45          HH12      ARG  45  -3.973   2.888  16.390
  368    H    HIS  46           HN       HIS  46   2.038  -1.466  12.947
  369    HA   HIS  46           HA       HIS  46   3.183  -3.166  10.943
  370   1HB   HIS  46           HB2      HIS  46   3.995  -3.129  13.278
  371   2HB   HIS  46           HB1      HIS  46   2.470  -3.839  13.819
  372    HD1  HIS  46           HD1      HIS  46   2.030  -6.336  13.231
  373    HD2  HIS  46           HD2      HIS  46   5.743  -4.941  11.948
  374    HE1  HIS  46           HE1      HIS  46   3.361  -8.376  12.534
  375    H    TRP  47           HN       TRP  47   1.678  -3.876   9.443
  376    HA   TRP  47           HA       TRP  47   0.024  -6.123  10.215
  377   1HB   TRP  47           HB2      TRP  47  -1.452  -4.237  10.889
  378   2HB   TRP  47           HB1      TRP  47  -1.379  -3.612   9.243
  379    HD1  TRP  47           HD1      TRP  47  -1.937  -7.249  10.502
  380    HE1  TRP  47           HE1      TRP  47  -4.077  -8.149   9.397
  381    HE3  TRP  47           HE3      TRP  47  -3.433  -3.072   7.952
  382    HZ2  TRP  47           HZ2      TRP  47  -6.164  -7.233   7.670
  383    HZ3  TRP  47           HZ3      TRP  47  -5.511  -3.112   6.589
  384    HH2  TRP  47           HH2      TRP  47  -6.881  -5.186   6.447
  385    HA   PRO  48           HA       PRO  48   1.936  -5.788   5.961
  386   1HB   PRO  48           HB2      PRO  48   2.462  -8.661   6.298
  387   2HB   PRO  48           HB1      PRO  48   3.613  -7.343   6.018
  388   1HG   PRO  48           HG2      PRO  48   3.255  -8.728   8.460
  389   2HG   PRO  48           HG1      PRO  48   4.137  -7.207   8.250
  390   1HD   PRO  48           HD2      PRO  48   1.522  -7.650   9.505
  391   2HD   PRO  48           HD1      PRO  48   2.535  -6.184   9.543
  392    H    LYS  49           HN       LYS  49  -0.590  -7.732   7.380
  393    HA   LYS  49           HA       LYS  49  -1.361  -9.055   4.917
  394   1HB   LYS  49           HB2      LYS  49  -2.028  -9.767   7.282
  395   2HB   LYS  49           HB1      LYS  49  -3.186  -8.437   7.256
  396   1HG   LYS  49           HG2      LYS  49  -4.540 -10.149   6.456
  397   2HG   LYS  49           HG1      LYS  49  -3.901  -9.539   4.933
  398   1HD   LYS  49           HD2      LYS  49  -2.054 -11.270   5.129
  399   2HD   LYS  49           HD1      LYS  49  -2.943 -11.953   6.492
  400   1HE   LYS  49           HE2      LYS  49  -4.968 -12.057   4.914
  401   2HE   LYS  49           HE1      LYS  49  -3.823 -11.757   3.606
  402   1HZ   LYS  49           HZ3      LYS  49  -2.618 -13.713   5.019
  403   2HZ   LYS  49           HZ2      LYS  49  -4.257 -14.140   5.159
  404   3HZ   LYS  49           HZ1      LYS  49  -3.552 -13.955   3.623
  405    H    GLY  50           HN       GLY  50  -1.812  -5.879   6.216
  406   1HA   GLY  50           HA2      GLY  50  -4.157  -5.205   4.620
  407   2HA   GLY  50           HA1      GLY  50  -3.116  -4.056   5.466
  408    H    GLU  51           HN       GLU  51  -0.670  -5.124   4.200
  409    HA   GLU  51           HA       GLU  51  -0.678  -3.458   1.834
  410   1HB   GLU  51           HB2      GLU  51   1.373  -5.583   2.526
  411   2HB   GLU  51           HB1      GLU  51   1.616  -4.117   1.577
  412   1HG   GLU  51           HG2      GLU  51   0.815  -4.058   4.502
  413   2HG   GLU  51           HG1      GLU  51   2.491  -4.037   3.969
  414    H    GLN  52           HN       GLN  52  -1.118  -6.859   2.535
  415    HA   GLN  52           HA       GLN  52  -0.814  -7.888  -0.115
  416   1HB   GLN  52           HB2      GLN  52  -2.498  -8.821   2.227
  417   2HB   GLN  52           HB1      GLN  52  -2.321  -9.741   0.733
  418   1HG   GLN  52           HG2      GLN  52   0.160  -9.709   1.063
  419   2HG   GLN  52           HG1      GLN  52  -0.094  -8.921   2.621
  420   1HE2  GLN  52          HE22      GLN  52  -0.213 -12.172   4.010
  421   2HE2  GLN  52          HE21      GLN  52   0.609 -10.689   3.950
  422    H    ILE  53           HN       ILE  53  -3.622  -6.549   1.625
  423    HA   ILE  53           HA       ILE  53  -5.615  -7.033  -0.328
  424    HB   ILE  53           HB       ILE  53  -5.256  -4.666   1.537
  425   1HG1  ILE  53          HG12      ILE  53  -7.079  -7.087   1.749
  426   2HG1  ILE  53          HG11      ILE  53  -5.496  -6.991   2.521
  427   1HG2  ILE  53          HG23      ILE  53  -7.578  -5.506  -0.214
  428   2HG2  ILE  53          HG22      ILE  53  -7.772  -4.433   1.171
  429   3HG2  ILE  53          HG21      ILE  53  -6.757  -3.947  -0.183
  430   1HD1  ILE  53          HD13      ILE  53  -6.499  -4.695   3.480
  431   2HD1  ILE  53          HD12      ILE  53  -8.030  -5.524   3.195
  432   3HD1  ILE  53          HD11      ILE  53  -6.830  -6.236   4.269
  433    H    ILE  54           HN       ILE  54  -3.441  -4.205   0.001
  434    HA   ILE  54           HA       ILE  54  -4.358  -2.850  -2.344
  435    HB   ILE  54           HB       ILE  54  -1.711  -2.800  -0.872
  436   1HG1  ILE  54          HG12      ILE  54  -3.944  -0.754  -1.028
  437   2HG1  ILE  54          HG11      ILE  54  -3.870  -1.993   0.223
  438   1HG2  ILE  54          HG22      ILE  54  -2.690  -1.212  -3.247
  439   2HG2  ILE  54          HG21      ILE  54  -1.463  -0.572  -2.154
  440   3HG2  ILE  54          HG23      ILE  54  -1.152  -2.053  -3.056
  441   1HD1  ILE  54          HD12      ILE  54  -1.405  -1.041   0.570
  442   2HD1  ILE  54          HD11      ILE  54  -2.094   0.399  -0.176
  443   3HD1  ILE  54          HD13      ILE  54  -2.787  -0.240   1.309
  444    H    ALA  55           HN       ALA  55  -1.475  -4.946  -1.899
  445    HA   ALA  55           HA       ALA  55  -0.672  -4.921  -4.629
  446   1HB   ALA  55           HB3      ALA  55   0.656  -5.805  -2.654
  447   2HB   ALA  55           HB2      ALA  55  -0.350  -7.253  -2.725
  448   3HB   ALA  55           HB1      ALA  55   0.685  -6.829  -4.088
  449    H    ASN  56           HN       ASN  56  -3.127  -6.778  -2.945
  450    HA   ASN  56           HA       ASN  56  -3.526  -8.862  -4.828
  451   1HB   ASN  56           HB2      ASN  56  -4.617  -8.723  -2.576
  452   2HB   ASN  56           HB1      ASN  56  -5.677  -7.464  -3.213
  453   1HD2  ASN  56          HD22      ASN  56  -7.039 -11.068  -3.639
  454   2HD2  ASN  56          HD21      ASN  56  -6.163 -10.416  -2.340
  455    H    ALA  57           HN       ALA  57  -4.800  -5.546  -4.766
  456    HA   ALA  57           HA       ALA  57  -6.588  -5.843  -6.964
  457   1HB   ALA  57           HB1      ALA  57  -6.376  -3.859  -5.349
  458   2HB   ALA  57           HB3      ALA  57  -5.048  -3.311  -6.373
  459   3HB   ALA  57           HB2      ALA  57  -6.671  -3.469  -7.044
  460    H    LEU  58           HN       LEU  58  -3.116  -5.123  -6.869
  461    HA   LEU  58           HA       LEU  58  -3.005  -4.849  -9.807
  462   1HB   LEU  58           HB2      LEU  58  -0.829  -4.922  -7.694
  463   2HB   LEU  58           HB1      LEU  58  -0.567  -4.580  -9.396
  464    HG   LEU  58           HG       LEU  58  -2.403  -2.953  -7.617
  465   1HD1  LEU  58          HD12      LEU  58   0.497  -2.515  -8.407
  466   2HD1  LEU  58          HD11      LEU  58  -0.517  -1.283  -7.655
  467   3HD1  LEU  58          HD13      LEU  58  -0.130  -2.763  -6.778
  468   1HD2  LEU  58          HD21      LEU  58  -1.394  -2.703 -10.460
  469   2HD2  LEU  58          HD23      LEU  58  -3.042  -2.534  -9.849
  470   3HD2  LEU  58          HD22      LEU  58  -1.859  -1.263  -9.556
  471    H    GLU  59           HN       GLU  59  -3.381  -7.389  -7.788
  472    HA   GLU  59           HA       GLU  59  -2.910  -9.679  -7.940
  473   1HB   GLU  59           HB2      GLU  59  -3.741  -9.001 -10.353
  474   2HB   GLU  59           HB1      GLU  59  -2.055  -9.243 -10.803
  475   1HG   GLU  59           HG2      GLU  59  -2.122 -11.539  -9.979
  476   2HG   GLU  59           HG1      GLU  59  -3.765 -11.307  -9.375
  477    H    THR  60           HN       THR  60  -0.762  -7.601  -7.409
  478    HA   THR  60           HA       THR  60   1.643  -9.219  -8.190
  479    HB   THR  60           HB       THR  60   1.431  -6.730  -8.886
  480    HG1  THR  60           HG1      THR  60   3.365  -8.107  -8.717
  481   1HG2  THR  60          HG22      THR  60   0.716  -6.136  -6.442
  482   2HG2  THR  60          HG21      THR  60   2.447  -6.187  -6.105
  483   3HG2  THR  60          HG23      THR  60   1.814  -5.050  -7.298
  484    H    LYS  61           HN       LYS  61   3.440  -8.311  -6.336
  485    HA   LYS  61           HA       LYS  61   2.299  -9.330  -3.775
  486   1HB   LYS  61           HB2      LYS  61   5.222  -9.330  -4.528
  487   2HB   LYS  61           HB1      LYS  61   4.420 -10.293  -3.291
  488   1HG   LYS  61           HG2      LYS  61   4.515 -11.912  -4.934
  489   2HG   LYS  61           HG1      LYS  61   3.013 -11.151  -5.432
  490   1HD   LYS  61           HD2      LYS  61   4.162 -11.121  -7.452
  491   2HD   LYS  61           HD1      LYS  61   4.667  -9.562  -6.801
  492   1HE   LYS  61           HE2      LYS  61   6.675 -10.751  -5.798
  493   2HE   LYS  61           HE1      LYS  61   6.209 -12.171  -6.730
  494   1HZ   LYS  61           HZ3      LYS  61   6.696  -9.498  -7.926
  495   2HZ   LYS  61           HZ2      LYS  61   7.874 -10.719  -7.834
  496   3HZ   LYS  61           HZ1      LYS  61   6.464 -10.965  -8.749
  497    HA   PRO  62           HA       PRO  62   3.189  -5.344  -2.029
  498   1HB   PRO  62           HB2      PRO  62   4.055  -6.210   0.552
  499   2HB   PRO  62           HB1      PRO  62   2.406  -5.768   0.081
  500   1HG   PRO  62           HG2      PRO  62   3.523  -8.455   0.562
  501   2HG   PRO  62           HG1      PRO  62   1.826  -7.959   0.445
  502   1HD   PRO  62           HD2      PRO  62   3.283  -9.397  -1.525
  503   2HD   PRO  62           HD1      PRO  62   1.697  -8.627  -1.741
  504    H    GLU  63           HN       GLU  63   5.610  -7.910  -1.693
  505    HA   GLU  63           HA       GLU  63   7.807  -6.347  -0.848
  506   1HB   GLU  63           HB2      GLU  63   9.214  -8.082  -2.030
  507   2HB   GLU  63           HB1      GLU  63   8.023  -8.744  -0.911
  508   1HG   GLU  63           HG2      GLU  63   6.581  -9.423  -2.654
  509   2HG   GLU  63           HG1      GLU  63   7.386  -8.398  -3.844
  510    H    VAL  64           HN       VAL  64   6.017  -5.994  -3.685
  511    HA   VAL  64           HA       VAL  64   8.305  -4.975  -5.294
  512    HB   VAL  64           HB       VAL  64   5.366  -4.987  -6.028
  513   1HG1  VAL  64          HG11      VAL  64   7.947  -4.754  -7.599
  514   2HG1  VAL  64          HG13      VAL  64   6.371  -5.016  -8.346
  515   3HG1  VAL  64          HG12      VAL  64   6.681  -3.537  -7.439
  516   1HG2  VAL  64          HG23      VAL  64   7.490  -7.088  -6.558
  517   2HG2  VAL  64          HG22      VAL  64   6.082  -7.280  -5.511
  518   3HG2  VAL  64          HG21      VAL  64   5.867  -7.081  -7.249
  519    H    ILE  65           HN       ILE  65   5.459  -3.822  -3.544
  520    HA   ILE  65           HA       ILE  65   5.875  -1.045  -4.455
  521    HB   ILE  65           HB       ILE  65   3.951  -2.210  -2.428
  522   1HG1  ILE  65          HG12      ILE  65   3.183  -1.180  -5.158
  523   2HG1  ILE  65          HG11      ILE  65   3.859  -2.805  -5.023
  524   1HG2  ILE  65          HG21      ILE  65   4.173   0.535  -3.685
  525   2HG2  ILE  65          HG23      ILE  65   2.754  -0.021  -2.801
  526   3HG2  ILE  65          HG22      ILE  65   4.301   0.138  -1.971
  527   1HD1  ILE  65          HD11      ILE  65   2.119  -3.365  -3.330
  528   2HD1  ILE  65          HD13      ILE  65   1.407  -1.766  -3.555
  529   3HD1  ILE  65          HD12      ILE  65   1.418  -2.924  -4.885
  530    H    TRP  66           HN       TRP  66   6.963  -3.072  -1.870
  531    HA   TRP  66           HA       TRP  66   8.212  -0.686  -0.578
  532   1HB   TRP  66           HB2      TRP  66   6.685  -2.877   0.840
  533   2HB   TRP  66           HB1      TRP  66   7.768  -1.752   1.659
  534    HD1  TRP  66           HD1      TRP  66   7.143   0.892   1.469
  535    HE1  TRP  66           HE1      TRP  66   4.846   2.042   1.278
  536    HE3  TRP  66           HE3      TRP  66   4.289  -3.097  -0.002
  537    HZ2  TRP  66           HZ2      TRP  66   2.149   1.368   0.593
  538    HZ3  TRP  66           HZ3      TRP  66   1.852  -2.813  -0.416
  539    HH2  TRP  66           HH2      TRP  66   0.782  -0.585  -0.120
  540    HA   PRO  67           HA       PRO  67  11.167  -4.212  -1.251
  541   1HB   PRO  67           HB2      PRO  67  12.987  -2.586  -2.715
  542   2HB   PRO  67           HB1      PRO  67  11.873  -3.790  -3.389
  543   1HG   PRO  67           HG2      PRO  67  11.711  -0.880  -3.590
  544   2HG   PRO  67           HG1      PRO  67  10.692  -2.091  -4.379
  545   1HD   PRO  67           HD2      PRO  67  10.032  -0.423  -2.098
  546   2HD   PRO  67           HD1      PRO  67   8.992  -1.579  -2.943
  547    H    SER  68           HN       SER  68  11.685  -0.787  -0.399
  548    HA   SER  68           HA       SER  68  14.245  -1.271   0.884
  549   1HB   SER  68           HB2      SER  68  12.396   1.047   1.462
  550   2HB   SER  68           HB1      SER  68  14.153   1.001   1.589
  551    HG   SER  68           HG       SER  68  13.890   1.887  -0.346
  552    H    ARG  69           HN       ARG  69  11.149  -2.143   1.780
  553    HA   ARG  69           HA       ARG  69  11.714  -1.940   4.718
  554   1HB   ARG  69           HB2      ARG  69   9.147  -2.685   3.283
  555   2HB   ARG  69           HB1      ARG  69   9.333  -2.442   5.018
  556   1HG   ARG  69           HG2      ARG  69  10.094  -0.243   3.096
  557   2HG   ARG  69           HG1      ARG  69   8.412  -0.475   3.535
  558   1HD   ARG  69           HD2      ARG  69  10.714   0.059   5.424
  559   2HD   ARG  69           HD1      ARG  69   9.416   1.178   5.031
  560    HE   ARG  69           HE       ARG  69   9.380  -0.850   7.066
  561   1HH1  ARG  69          HH21      ARG  69   7.358   0.457   4.579
  562   2HH1  ARG  69          HH22      ARG  69   5.907  -0.203   5.253
  563   1HH2  ARG  69          HH11      ARG  69   7.501  -1.682   7.944
  564   2HH2  ARG  69          HH12      ARG  69   5.987  -1.402   7.153
  565    H    TYR  70           HN       TYR  70  11.156  -4.204   2.083
  566    HA   TYR  70           HA       TYR  70  11.339  -6.522   3.975
  567   1HB   TYR  70           HB2      TYR  70  10.451  -6.217   1.090
  568   2HB   TYR  70           HB1      TYR  70  10.806  -7.801   1.777
  569    HD1  TYR  70           HD2      TYR  70   9.654  -8.367   4.077
  570    HD2  TYR  70           HD1      TYR  70   8.317  -5.317   1.357
  571    HE1  TYR  70           HE2      TYR  70   7.401  -8.415   5.134
  572    HE2  TYR  70           HE1      TYR  70   6.060  -5.356   2.409
  573    HH   TYR  70           HH       TYR  70   5.445  -6.812   5.376
  574    H    GLN  71           HN       GLN  71  12.827  -8.297   3.310
  575    HA   GLN  71           HA       GLN  71  14.944  -7.681   1.380
  576   1HB   GLN  71           HB2      GLN  71  15.600  -6.438   3.496
  577   2HB   GLN  71           HB1      GLN  71  15.725  -8.009   4.289
  578   1HG   GLN  71           HG2      GLN  71  17.323  -8.708   2.459
  579   2HG   GLN  71           HG1      GLN  71  17.314  -7.033   1.903
  580   1HE2  GLN  71          HE22      GLN  71  18.502  -6.749   5.700
  581   2HE2  GLN  71          HE21      GLN  71  16.886  -6.968   5.228
  582    H    ALA  72           HN       ALA  72  14.241  -9.679   0.471
  583    HA   ALA  72           HA       ALA  72  15.449 -12.037   1.750
  584   1HB   ALA  72           HB3      ALA  72  12.468 -11.799   1.265
  585   2HB   ALA  72           HB2      ALA  72  13.285 -13.352   1.443
  586   3HB   ALA  72           HB1      ALA  72  13.287 -12.196   2.775
  587    H    GLY  73           HN       GLY  73  12.962 -12.814  -0.427
  588   1HA   GLY  73           HA2      GLY  73  13.610 -12.282  -2.976
  589   2HA   GLY  73           HA1      GLY  73  14.964 -13.331  -2.549
  590    H    GLU  74           HN       GLU  74  13.944 -14.688  -4.314
  591    HA   GLU  74           HA       GLU  74  12.110 -16.658  -3.058
  592   1HB   GLU  74           HB2      GLU  74  11.561 -15.170  -5.637
  593   2HB   GLU  74           HB1      GLU  74  10.789 -16.708  -5.244
  594   1HG   GLU  74           HG2      GLU  74   9.902 -15.729  -3.155
  595   2HG   GLU  74           HG1      GLU  74  10.661 -14.190  -3.557
   
  No H/Q in entry =         595
  Start of MODEL          30
  Start of MODEL   30
    1   1H    CYS   1           HT2      CYS   1  15.528  15.578   6.331
    2   2H    CYS   1           HT1      CYS   1  16.945  16.409   6.765
    3   3H    CYS   1           HT3      CYS   1  15.585  17.272   6.235
    4    HA   CYS   1           HA       CYS   1  15.776  16.355   4.038
    5   1HB   CYS   1           HB2      CYS   1  18.521  17.273   4.923
    6   2HB   CYS   1           HB1      CYS   1  17.747  17.523   3.357
    7    HG   CYS   1           HG       CYS   1  16.598  19.523   4.262
    8    H    SER   2           HN       SER   2  15.649  13.947   4.660
    9    HA   SER   2           HA       SER   2  18.213  12.646   3.860
   10   1HB   SER   2           HB2      SER   2  16.489  11.893   6.235
   11   2HB   SER   2           HB1      SER   2  17.708  10.827   5.545
   12    HG   SER   2           HG       SER   2  18.809  11.917   7.053
   13    H    ASN   3           HN       ASN   3  14.708  12.476   4.264
   14    HA   ASN   3           HA       ASN   3  14.486  10.961   1.767
   15   1HB   ASN   3           HB2      ASN   3  13.572   9.748   4.395
   16   2HB   ASN   3           HB1      ASN   3  13.199   9.101   2.797
   17   1HD2  ASN   3          HD22      ASN   3  16.442   7.733   2.293
   18   2HD2  ASN   3          HD21      ASN   3  14.978   8.157   1.549
   19    H    GLU   4           HN       GLU   4  12.537  11.596   4.706
   20    HA   GLU   4           HA       GLU   4  10.452  12.631   4.931
   21   1HB   GLU   4           HB2      GLU   4  11.919  14.455   3.760
   22   2HB   GLU   4           HB1      GLU   4  10.976  14.060   2.324
   23   1HG   GLU   4           HG2      GLU   4   9.809  15.858   3.366
   24   2HG   GLU   4           HG1      GLU   4   8.893  14.410   3.786
   25    H    LYS   5           HN       LYS   5  11.159  10.455   2.593
   26    HA   LYS   5           HA       LYS   5   8.322   9.998   1.993
   27   1HB   LYS   5           HB2      LYS   5  10.325  10.704  -0.170
   28   2HB   LYS   5           HB1      LYS   5   8.784   9.912  -0.497
   29   1HG   LYS   5           HG2      LYS   5   7.693  11.871   0.767
   30   2HG   LYS   5           HG1      LYS   5   9.256  12.678   0.629
   31   1HD   LYS   5           HD2      LYS   5   9.160  12.304  -1.850
   32   2HD   LYS   5           HD1      LYS   5   7.522  11.683  -1.647
   33   1HE   LYS   5           HE2      LYS   5   7.581  14.107  -2.272
   34   2HE   LYS   5           HE1      LYS   5   6.777  13.812  -0.731
   35   1HZ   LYS   5           HZ1      LYS   5   9.631  14.576  -1.007
   36   2HZ   LYS   5           HZ3      LYS   5   8.381  15.673  -0.678
   37   3HZ   LYS   5           HZ2      LYS   5   8.745  14.442   0.436
   38    H    ALA   6           HN       ALA   6  10.827   8.686   3.194
   39    HA   ALA   6           HA       ALA   6  11.825   6.557   3.198
   40   1HB   ALA   6           HB1      ALA   6   9.437   5.978   3.620
   41   2HB   ALA   6           HB3      ALA   6   9.203   5.798   1.881
   42   3HB   ALA   6           HB2      ALA   6  10.296   4.713   2.740
   43    H    ARG   7           HN       ARG   7  12.062   4.502   1.561
   44    HA   ARG   7           HA       ARG   7  13.110   5.687  -0.973
   45   1HB   ARG   7           HB2      ARG   7  13.553   2.823  -0.116
   46   2HB   ARG   7           HB1      ARG   7  14.609   3.878  -1.051
   47   1HG   ARG   7           HG2      ARG   7  14.003   4.147   1.905
   48   2HG   ARG   7           HG1      ARG   7  15.490   3.509   1.219
   49   1HD   ARG   7           HD2      ARG   7  15.593   5.795  -0.058
   50   2HD   ARG   7           HD1      ARG   7  14.474   6.350   1.183
   51    HE   ARG   7           HE       ARG   7  17.296   6.039   1.487
   52   1HH1  ARG   7          HH21      ARG   7  14.354   5.303   3.133
   53   2HH1  ARG   7          HH22      ARG   7  15.132   4.998   4.648
   54   1HH2  ARG   7          HH11      ARG   7  18.315   5.651   3.453
   55   2HH2  ARG   7          HH12      ARG   7  17.369   5.195   4.831
   56    H    ASP   8           HN       ASP   8  10.537   3.875   0.274
   57    HA   ASP   8           HA       ASP   8  10.016   2.178  -2.010
   58   1HB   ASP   8           HB2      ASP   8   8.082   3.017   0.153
   59   2HB   ASP   8           HB1      ASP   8   8.031   1.545  -0.830
   60    H    TRP   9           HN       TRP   9   7.322   2.427  -2.349
   61    HA   TRP   9           HA       TRP   9   7.084   4.424  -4.403
   62   1HB   TRP   9           HB2      TRP   9   5.070   2.677  -2.953
   63   2HB   TRP   9           HB1      TRP   9   4.653   3.692  -4.318
   64    HD1  TRP   9           HD1      TRP   9   7.731   1.350  -3.849
   65    HE1  TRP   9           HE1      TRP   9   7.819  -0.245  -5.863
   66    HE3  TRP   9           HE3      TRP   9   3.442   2.740  -6.257
   67    HZ2  TRP   9           HZ2      TRP   9   6.254  -0.891  -8.180
   68    HZ3  TRP   9           HZ3      TRP   9   2.748   1.604  -8.355
   69    HH2  TRP   9           HH2      TRP   9   4.150  -0.209  -9.319
   70    H    HIS  10           HN       HIS  10   6.999   6.585  -3.833
   71    HA   HIS  10           HA       HIS  10   6.370   7.729  -1.376
   72   1HB   HIS  10           HB2      HIS  10   5.419   9.012  -3.945
   73   2HB   HIS  10           HB1      HIS  10   6.091   9.789  -2.507
   74    HD1  HIS  10           HD1      HIS  10   8.685   8.515  -2.010
   75    HD2  HIS  10           HD2      HIS  10   7.340   9.108  -5.908
   76    HE1  HIS  10           HE1      HIS  10  10.738   8.454  -3.491
   77    H    ARG  11           HN       ARG  11   4.380   8.669  -0.517
   78    HA   ARG  11           HA       ARG  11   2.146   6.992  -0.506
   79   1HB   ARG  11           HB2      ARG  11   0.910   8.836   0.479
   80   2HB   ARG  11           HB1      ARG  11   2.555   8.860   1.098
   81   1HG   ARG  11           HG2      ARG  11   2.343  11.105   0.532
   82   2HG   ARG  11           HG1      ARG  11   2.996  10.472  -0.965
   83   1HD   ARG  11           HD2      ARG  11   1.176  11.248  -2.066
   84   2HD   ARG  11           HD1      ARG  11   0.138  10.181  -1.142
   85    HE   ARG  11           HE       ARG  11   0.150  12.987  -0.946
   86   1HH1  ARG  11          HH21      ARG  11   0.600  10.333   1.224
   87   2HH1  ARG  11          HH22      ARG  11   0.064  11.216   2.609
   88   1HH2  ARG  11          HH11      ARG  11  -0.543  14.132   0.852
   89   2HH2  ARG  11          HH12      ARG  11  -0.585  13.356   2.401
   90    H    ALA  12           HN       ALA  12   3.033   9.429  -2.846
   91    HA   ALA  12           HA       ALA  12   0.394   9.389  -4.157
   92   1HB   ALA  12           HB1      ALA  12   3.015  10.781  -4.670
   93   2HB   ALA  12           HB3      ALA  12   1.781  10.731  -5.930
   94   3HB   ALA  12           HB2      ALA  12   1.424  11.484  -4.377
   95    H    ASP  13           HN       ASP  13   3.534   7.840  -4.492
   96    HA   ASP  13           HA       ASP  13   3.094   6.832  -7.161
   97   1HB   ASP  13           HB2      ASP  13   4.859   5.913  -4.896
   98   2HB   ASP  13           HB1      ASP  13   4.863   5.140  -6.482
   99    H    VAL  14           HN       VAL  14   2.002   5.970  -4.010
  100    HA   VAL  14           HA       VAL  14   1.203   3.249  -4.682
  101    HB   VAL  14           HB       VAL  14   0.495   5.117  -2.400
  102   1HG1  VAL  14          HG12      VAL  14  -0.397   2.295  -2.994
  103   2HG1  VAL  14          HG11      VAL  14  -0.345   2.918  -1.344
  104   3HG1  VAL  14          HG13      VAL  14  -1.385   3.687  -2.544
  105   1HG2  VAL  14          HG23      VAL  14   2.253   2.650  -2.594
  106   2HG2  VAL  14          HG22      VAL  14   2.811   4.312  -2.405
  107   3HG2  VAL  14          HG21      VAL  14   1.912   3.531  -1.106
  108    H    ILE  15           HN       ILE  15  -0.686   6.215  -3.954
  109    HA   ILE  15           HA       ILE  15  -3.096   5.064  -5.098
  110    HB   ILE  15           HB       ILE  15  -2.545   7.978  -4.493
  111   1HG1  ILE  15          HG12      ILE  15  -3.805   5.896  -2.677
  112   2HG1  ILE  15          HG11      ILE  15  -2.104   6.350  -2.571
  113   1HG2  ILE  15          HG22      ILE  15  -5.090   6.332  -4.707
  114   2HG2  ILE  15          HG21      ILE  15  -5.022   8.026  -4.216
  115   3HG2  ILE  15          HG23      ILE  15  -4.546   7.564  -5.848
  116   1HD1  ILE  15          HD11      ILE  15  -3.028   8.795  -2.399
  117   2HD1  ILE  15          HD13      ILE  15  -4.538   8.001  -1.947
  118   3HD1  ILE  15          HD12      ILE  15  -3.085   7.751  -0.983
  119    H    ALA  16           HN       ALA  16  -0.848   7.646  -6.221
  120    HA   ALA  16           HA       ALA  16  -2.217   8.215  -8.631
  121   1HB   ALA  16           HB1      ALA  16  -0.122   9.376  -7.646
  122   2HB   ALA  16           HB3      ALA  16   0.797   8.132  -8.496
  123   3HB   ALA  16           HB2      ALA  16  -0.233   9.241  -9.400
  124    H    GLY  17           HN       GLY  17   0.303   5.789  -7.995
  125   1HA   GLY  17           HA2      GLY  17   0.331   4.695 -10.642
  126   2HA   GLY  17           HA1      GLY  17   0.903   3.873  -9.191
  127    H    LEU  18           HN       LEU  18  -1.278   3.510  -7.662
  128    HA   LEU  18           HA       LEU  18  -2.691   1.393  -8.982
  129   1HB   LEU  18           HB2      LEU  18  -3.154   2.898  -6.398
  130   2HB   LEU  18           HB1      LEU  18  -4.235   1.611  -6.915
  131    HG   LEU  18           HG       LEU  18  -1.258   1.124  -6.781
  132   1HD1  LEU  18          HD12      LEU  18  -2.120   2.014  -4.552
  133   2HD1  LEU  18          HD11      LEU  18  -3.188   0.616  -4.504
  134   3HD1  LEU  18          HD13      LEU  18  -1.440   0.394  -4.500
  135   1HD2  LEU  18          HD22      LEU  18  -3.725  -0.631  -6.517
  136   2HD2  LEU  18          HD21      LEU  18  -2.636  -0.576  -7.897
  137   3HD2  LEU  18          HD23      LEU  18  -2.069  -1.205  -6.355
  138    H    LYS  19           HN       LYS  19  -3.961   4.476  -7.739
  139    HA   LYS  19           HA       LYS  19  -6.488   4.371  -8.960
  140   1HB   LYS  19           HB2      LYS  19  -5.627   6.046  -7.248
  141   2HB   LYS  19           HB1      LYS  19  -4.871   6.900  -8.590
  142   1HG   LYS  19           HG2      LYS  19  -6.985   7.352  -9.613
  143   2HG   LYS  19           HG1      LYS  19  -7.822   6.237  -8.531
  144   1HD   LYS  19           HD2      LYS  19  -7.337   7.659  -6.614
  145   2HD   LYS  19           HD1      LYS  19  -6.371   8.738  -7.618
  146   1HE   LYS  19           HE2      LYS  19  -8.811   9.431  -7.105
  147   2HE   LYS  19           HE1      LYS  19  -8.261   9.545  -8.776
  148   1HZ   LYS  19           HZ3      LYS  19  -9.437   7.020  -7.890
  149   2HZ   LYS  19           HZ2      LYS  19 -10.487   8.332  -8.142
  150   3HZ   LYS  19           HZ1      LYS  19  -9.505   7.771  -9.410
  151    H    LYS  20           HN       LYS  20  -3.493   4.519 -10.504
  152    HA   LYS  20           HA       LYS  20  -3.977   6.239 -12.695
  153   1HB   LYS  20           HB2      LYS  20  -1.810   4.963 -12.154
  154   2HB   LYS  20           HB1      LYS  20  -2.559   3.579 -12.948
  155   1HG   LYS  20           HG2      LYS  20  -2.877   4.939 -14.998
  156   2HG   LYS  20           HG1      LYS  20  -2.077   6.296 -14.204
  157   1HD   LYS  20           HD2      LYS  20  -0.006   5.075 -14.034
  158   2HD   LYS  20           HD1      LYS  20  -0.780   3.584 -14.575
  159   1HE   LYS  20           HE2      LYS  20  -0.499   6.108 -16.233
  160   2HE   LYS  20           HE1      LYS  20   0.492   4.661 -16.409
  161   1HZ   LYS  20           HZ2      LYS  20  -2.068   3.730 -16.476
  162   2HZ   LYS  20           HZ1      LYS  20  -2.154   5.178 -17.361
  163   3HZ   LYS  20           HZ3      LYS  20  -1.059   3.968 -17.823
  164    H    ARG  21           HN       ARG  21  -5.182   3.074 -11.946
  165    HA   ARG  21           HA       ARG  21  -6.555   2.884 -14.581
  166   1HB   ARG  21           HB2      ARG  21  -6.284   0.973 -12.230
  167   2HB   ARG  21           HB1      ARG  21  -7.287   0.648 -13.642
  168   1HG   ARG  21           HG2      ARG  21  -5.320   0.793 -15.102
  169   2HG   ARG  21           HG1      ARG  21  -4.303   1.186 -13.716
  170   1HD   ARG  21           HD2      ARG  21  -4.214  -1.243 -14.398
  171   2HD   ARG  21           HD1      ARG  21  -4.695  -0.988 -12.719
  172    HE   ARG  21           HE       ARG  21  -7.096  -1.068 -14.129
  173   1HH1  ARG  21          HH21      ARG  21  -4.310  -3.063 -13.770
  174   2HH1  ARG  21          HH22      ARG  21  -5.175  -4.543 -14.016
  175   1HH2  ARG  21          HH11      ARG  21  -8.242  -2.985 -14.453
  176   2HH2  ARG  21          HH12      ARG  21  -7.402  -4.499 -14.407
  177    H    LYS  22           HN       LYS  22  -7.848   1.675 -11.566
  178    HA   LYS  22           HA       LYS  22  -9.613   3.976 -11.196
  179   1HB   LYS  22           HB2      LYS  22 -10.633   1.311 -12.224
  180   2HB   LYS  22           HB1      LYS  22 -11.672   2.371 -11.278
  181   1HG   LYS  22           HG2      LYS  22 -10.987   4.218 -12.993
  182   2HG   LYS  22           HG1      LYS  22 -10.441   2.872 -13.989
  183   1HD   LYS  22           HD2      LYS  22 -12.640   3.091 -14.731
  184   2HD   LYS  22           HD1      LYS  22 -12.847   1.889 -13.459
  185   1HE   LYS  22           HE2      LYS  22 -14.543   3.481 -13.026
  186   2HE   LYS  22           HE1      LYS  22 -13.267   3.916 -11.892
  187   1HZ   LYS  22           HZ2      LYS  22 -12.461   5.465 -13.704
  188   2HZ   LYS  22           HZ1      LYS  22 -13.966   5.217 -14.451
  189   3HZ   LYS  22           HZ3      LYS  22 -13.892   5.908 -12.904
  190    H    LEU  23           HN       LEU  23  -7.828   3.263  -9.387
  191    HA   LEU  23           HA       LEU  23  -9.328   1.659  -7.331
  192   1HB   LEU  23           HB2      LEU  23  -6.344   1.925  -7.717
  193   2HB   LEU  23           HB1      LEU  23  -7.115   1.035  -6.416
  194    HG   LEU  23           HG       LEU  23  -7.231   0.404  -9.382
  195   1HD1  LEU  23          HD11      LEU  23  -5.998  -0.954  -6.967
  196   2HD1  LEU  23          HD13      LEU  23  -6.122  -1.711  -8.557
  197   3HD1  LEU  23          HD12      LEU  23  -5.149  -0.258  -8.347
  198   1HD2  LEU  23          HD23      LEU  23  -8.788  -0.674  -7.026
  199   2HD2  LEU  23          HD22      LEU  23  -9.369  -0.262  -8.635
  200   3HD2  LEU  23          HD21      LEU  23  -8.423  -1.726  -8.393
  201    H    SER  24           HN       SER  24  -9.154   2.375  -5.180
  202    HA   SER  24           HA       SER  24  -7.728   4.889  -4.587
  203   1HB   SER  24           HB2      SER  24  -9.849   5.860  -3.579
  204   2HB   SER  24           HB1      SER  24  -9.827   5.807  -5.341
  205    HG   SER  24           HG       SER  24 -11.551   4.677  -3.662
  206    H    LEU  25           HN       LEU  25  -6.946   4.739  -2.469
  207    HA   LEU  25           HA       LEU  25  -7.013   2.402  -0.974
  208   1HB   LEU  25           HB2      LEU  25  -6.880   5.253   0.035
  209   2HB   LEU  25           HB1      LEU  25  -6.601   3.849   1.069
  210    HG   LEU  25           HG       LEU  25  -5.052   4.138  -1.508
  211   1HD1  LEU  25          HD12      LEU  25  -4.789   6.286  -0.315
  212   2HD1  LEU  25          HD11      LEU  25  -4.322   5.416   1.146
  213   3HD1  LEU  25          HD13      LEU  25  -3.293   5.353  -0.286
  214   1HD2  LEU  25          HD23      LEU  25  -4.504   2.860   1.200
  215   2HD2  LEU  25          HD22      LEU  25  -4.827   2.021  -0.317
  216   3HD2  LEU  25          HD21      LEU  25  -3.333   2.933  -0.118
  217    H    SER  26           HN       SER  26  -9.331   5.101  -0.688
  218    HA   SER  26           HA       SER  26 -10.857   3.998   1.441
  219   1HB   SER  26           HB2      SER  26 -11.386   6.226   0.936
  220   2HB   SER  26           HB1      SER  26 -11.481   5.912  -0.793
  221    HG   SER  26           HG       SER  26 -13.367   4.667  -0.352
  222    H    ALA  27           HN       ALA  27 -10.810   3.250  -1.981
  223    HA   ALA  27           HA       ALA  27 -13.291   1.709  -1.893
  224   1HB   ALA  27           HB2      ALA  27 -11.086   1.878  -3.966
  225   2HB   ALA  27           HB1      ALA  27 -12.587   0.976  -4.184
  226   3HB   ALA  27           HB3      ALA  27 -12.628   2.731  -3.999
  227    H    LEU  28           HN       LEU  28  -9.809   0.879  -2.111
  228    HA   LEU  28           HA       LEU  28 -10.195  -1.950  -2.024
  229   1HB   LEU  28           HB2      LEU  28  -7.788  -0.680  -0.725
  230   2HB   LEU  28           HB1      LEU  28  -7.880  -2.139  -1.697
  231    HG   LEU  28           HG       LEU  28  -8.267   0.661  -2.781
  232   1HD1  LEU  28          HD12      LEU  28  -5.966   0.203  -1.917
  233   2HD1  LEU  28          HD11      LEU  28  -5.865  -1.155  -3.036
  234   3HD1  LEU  28          HD13      LEU  28  -6.025   0.489  -3.655
  235   1HD2  LEU  28          HD23      LEU  28  -8.149  -2.094  -4.007
  236   2HD2  LEU  28          HD22      LEU  28  -9.361  -0.836  -4.248
  237   3HD2  LEU  28          HD21      LEU  28  -7.755  -0.657  -4.949
  238    H    SER  29           HN       SER  29 -10.067   0.504   0.485
  239    HA   SER  29           HA       SER  29  -9.769  -1.273   2.721
  240   1HB   SER  29           HB2      SER  29  -9.498   1.289   2.633
  241   2HB   SER  29           HB1      SER  29 -11.250   1.360   2.797
  242    HG   SER  29           HG       SER  29  -9.442   0.023   4.541
  243    H    ARG  30           HN       ARG  30 -12.698   0.460   1.586
  244    HA   ARG  30           HA       ARG  30 -14.495  -1.069   3.216
  245   1HB   ARG  30           HB2      ARG  30 -16.261   0.051   1.987
  246   2HB   ARG  30           HB1      ARG  30 -14.964   1.211   2.282
  247   1HG   ARG  30           HG2      ARG  30 -14.049   0.522  -0.022
  248   2HG   ARG  30           HG1      ARG  30 -15.616  -0.243  -0.284
  249   1HD   ARG  30           HD2      ARG  30 -16.686   1.981   0.292
  250   2HD   ARG  30           HD1      ARG  30 -15.068   2.685   0.252
  251    HE   ARG  30           HE       ARG  30 -15.275   1.371  -2.175
  252   1HH1  ARG  30          HH21      ARG  30 -17.137   3.685  -0.426
  253   2HH1  ARG  30          HH22      ARG  30 -17.756   4.459  -1.847
  254   1HH2  ARG  30          HH11      ARG  30 -16.073   2.362  -4.040
  255   2HH2  ARG  30          HH12      ARG  30 -17.152   3.709  -3.895
  256    H    GLN  31           HN       GLN  31 -13.015  -1.785   0.171
  257    HA   GLN  31           HA       GLN  31 -15.084  -3.456  -0.898
  258   1HB   GLN  31           HB2      GLN  31 -12.175  -3.038  -1.403
  259   2HB   GLN  31           HB1      GLN  31 -12.847  -4.563  -1.976
  260   1HG   GLN  31           HG2      GLN  31 -14.564  -3.367  -3.248
  261   2HG   GLN  31           HG1      GLN  31 -13.979  -1.821  -2.625
  262   1HE2  GLN  31          HE22      GLN  31 -12.431  -2.592  -6.005
  263   2HE2  GLN  31          HE21      GLN  31 -14.039  -2.592  -5.462
  264    H    PHE  32           HN       PHE  32 -12.569  -4.091   1.507
  265    HA   PHE  32           HA       PHE  32 -13.372  -6.972   1.565
  266   1HB   PHE  32           HB2      PHE  32 -10.979  -5.504   2.703
  267   2HB   PHE  32           HB1      PHE  32 -11.353  -7.189   3.089
  268    HD1  PHE  32           HD1      PHE  32 -10.611  -4.847   0.283
  269    HD2  PHE  32           HD2      PHE  32 -10.920  -8.956   1.535
  270    HE1  PHE  32           HE1      PHE  32  -9.610  -5.576  -1.873
  271    HE2  PHE  32           HE2      PHE  32  -9.914  -9.687  -0.622
  272    HZ   PHE  32           HZ       PHE  32  -9.263  -7.997  -2.327
  273    H    GLY  33           HN       GLY  33 -14.052  -4.068   3.159
  274   1HA   GLY  33           HA2      GLY  33 -15.796  -4.024   4.851
  275   2HA   GLY  33           HA1      GLY  33 -15.258  -5.600   5.418
  276    H    TYR  34           HN       TYR  34 -12.950  -3.058   4.723
  277    HA   TYR  34           HA       TYR  34 -12.520  -2.698   7.686
  278   1HB   TYR  34           HB2      TYR  34 -10.391  -2.366   5.561
  279   2HB   TYR  34           HB1      TYR  34 -10.180  -2.462   7.307
  280    HD1  TYR  34           HD2      TYR  34 -11.696  -4.750   8.201
  281    HD2  TYR  34           HD1      TYR  34  -9.469  -4.252   4.545
  282    HE1  TYR  34           HE2      TYR  34 -11.446  -7.211   8.019
  283    HE2  TYR  34           HE1      TYR  34  -9.225  -6.712   4.370
  284    HH   TYR  34           HH       TYR  34 -10.318  -8.740   5.165
  285    H    ALA  35           HN       ALA  35 -13.066  -0.698   8.316
  286    HA   ALA  35           HA       ALA  35 -13.986   1.379   6.783
  287   1HB   ALA  35           HB3      ALA  35 -12.565   1.314   9.423
  288   2HB   ALA  35           HB2      ALA  35 -12.916   2.884   8.704
  289   3HB   ALA  35           HB1      ALA  35 -14.230   1.770   9.070
  290    HA   PRO  36           HA       PRO  36 -10.650   2.985   4.371
  291   1HB   PRO  36           HB2      PRO  36 -11.110   5.788   4.896
  292   2HB   PRO  36           HB1      PRO  36 -11.623   4.856   3.482
  293   1HG   PRO  36           HG2      PRO  36 -13.259   5.800   5.718
  294   2HG   PRO  36           HG1      PRO  36 -13.792   5.053   4.204
  295   1HD   PRO  36           HD2      PRO  36 -13.813   3.838   6.784
  296   2HD   PRO  36           HD1      PRO  36 -14.098   3.026   5.228
  297    H    THR  37           HN       THR  37 -11.056   3.919   7.705
  298    HA   THR  37           HA       THR  37  -8.501   5.241   8.018
  299    HB   THR  37           HB       THR  37  -8.935   4.765  10.486
  300    HG1  THR  37           HG1      THR  37 -11.289   3.689   9.330
  301   1HG2  THR  37          HG21      THR  37 -11.142   6.076   8.875
  302   2HG2  THR  37          HG23      THR  37 -10.838   6.336  10.593
  303   3HG2  THR  37          HG22      THR  37  -9.650   6.856   9.397
  304    H    THR  38           HN       THR  38  -9.637   1.911   8.506
  305    HA   THR  38           HA       THR  38  -7.321   0.819   9.700
  306    HB   THR  38           HB       THR  38  -9.342  -0.351   7.772
  307    HG1  THR  38           HG1      THR  38  -9.614  -1.526   9.956
  308   1HG2  THR  38          HG22      THR  38  -6.911  -1.614   9.011
  309   2HG2  THR  38          HG21      THR  38  -8.367  -2.577   8.768
  310   3HG2  THR  38          HG23      THR  38  -7.570  -1.823   7.385
  311    H    LEU  39           HN       LEU  39  -8.136   0.542   6.238
  312    HA   LEU  39           HA       LEU  39  -5.641  -0.298   5.335
  313   1HB   LEU  39           HB2      LEU  39  -7.733  -0.155   3.964
  314   2HB   LEU  39           HB1      LEU  39  -7.502   1.590   3.868
  315    HG   LEU  39           HG       LEU  39  -5.284   1.217   2.815
  316   1HD1  LEU  39          HD11      LEU  39  -6.042  -1.646   3.326
  317   2HD1  LEU  39          HD13      LEU  39  -5.147  -1.288   1.850
  318   3HD1  LEU  39          HD12      LEU  39  -4.459  -0.875   3.415
  319   1HD2  LEU  39          HD23      LEU  39  -7.689  -0.074   1.512
  320   2HD2  LEU  39          HD22      LEU  39  -7.191   1.611   1.400
  321   3HD2  LEU  39          HD21      LEU  39  -6.215   0.357   0.642
  322    H    ALA  40           HN       ALA  40  -6.771   3.040   5.822
  323    HA   ALA  40           HA       ALA  40  -4.540   4.408   4.765
  324   1HB   ALA  40           HB3      ALA  40  -6.630   5.507   5.577
  325   2HB   ALA  40           HB2      ALA  40  -6.125   5.180   7.235
  326   3HB   ALA  40           HB1      ALA  40  -5.175   6.266   6.222
  327    H    ASN  41           HN       ASN  41  -5.065   3.808   8.242
  328    HA   ASN  41           HA       ASN  41  -2.443   4.403   9.082
  329   1HB   ASN  41           HB2      ASN  41  -4.522   4.022  10.519
  330   2HB   ASN  41           HB1      ASN  41  -4.193   2.294  10.362
  331   1HD2  ASN  41          HD22      ASN  41  -2.304   2.871  13.354
  332   2HD2  ASN  41          HD21      ASN  41  -3.805   2.336  12.769
  333    H    ALA  42           HN       ALA  42  -3.415   1.836   7.096
  334    HA   ALA  42           HA       ALA  42  -1.574  -0.173   8.089
  335   1HB   ALA  42           HB2      ALA  42  -3.649  -0.482   6.545
  336   2HB   ALA  42           HB1      ALA  42  -2.542  -0.062   5.238
  337   3HB   ALA  42           HB3      ALA  42  -2.223  -1.475   6.245
  338    H    LEU  43           HN       LEU  43  -0.956   2.773   6.751
  339    HA   LEU  43           HA       LEU  43   1.262   1.946   5.001
  340   1HB   LEU  43           HB2      LEU  43   0.438   4.688   6.000
  341   2HB   LEU  43           HB1      LEU  43   1.660   4.381   4.765
  342    HG   LEU  43           HG       LEU  43  -1.193   3.394   4.505
  343   1HD1  LEU  43          HD13      LEU  43  -1.215   5.851   4.742
  344   2HD1  LEU  43          HD12      LEU  43  -0.007   5.987   3.464
  345   3HD1  LEU  43          HD11      LEU  43  -1.618   5.372   3.093
  346   1HD2  LEU  43          HD21      LEU  43   1.157   3.728   2.621
  347   2HD2  LEU  43          HD23      LEU  43   0.231   2.267   2.963
  348   3HD2  LEU  43          HD22      LEU  43  -0.492   3.570   2.025
  349    H    GLU  44           HN       GLU  44   0.767   2.868   8.319
  350    HA   GLU  44           HA       GLU  44   3.723   2.667   8.781
  351   1HB   GLU  44           HB2      GLU  44   1.729   4.631   9.918
  352   2HB   GLU  44           HB1      GLU  44   3.254   4.284  10.732
  353   1HG   GLU  44           HG2      GLU  44   4.463   4.875   8.617
  354   2HG   GLU  44           HG1      GLU  44   2.918   5.355   7.914
  355    H    ARG  45           HN       ARG  45   0.523   1.709   9.662
  356    HA   ARG  45           HA       ARG  45   1.255   0.683  12.294
  357   1HB   ARG  45           HB2      ARG  45  -1.075   1.350  11.764
  358   2HB   ARG  45           HB1      ARG  45  -1.160   0.053  10.567
  359   1HG   ARG  45           HG2      ARG  45  -0.898  -1.638  12.254
  360   2HG   ARG  45           HG1      ARG  45  -0.493  -0.441  13.480
  361   1HD   ARG  45           HD2      ARG  45  -3.118   0.046  12.207
  362   2HD   ARG  45           HD1      ARG  45  -3.028  -1.482  13.082
  363    HE   ARG  45           HE       ARG  45  -1.924   0.351  14.841
  364   1HH1  ARG  45          HH21      ARG  45  -4.831   0.077  13.007
  365   2HH1  ARG  45          HH22      ARG  45  -5.798   0.928  14.165
  366   1HH2  ARG  45          HH11      ARG  45  -3.172   1.459  16.369
  367   2HH2  ARG  45          HH12      ARG  45  -4.859   1.707  16.070
  368    H    HIS  46           HN       HIS  46   1.959  -1.375  12.776
  369    HA   HIS  46           HA       HIS  46   3.061  -3.017  10.675
  370   1HB   HIS  46           HB2      HIS  46   2.558  -3.492  13.627
  371   2HB   HIS  46           HB1      HIS  46   3.320  -4.700  12.587
  372    HD1  HIS  46           HD1      HIS  46   3.999  -1.081  11.957
  373    HD2  HIS  46           HD2      HIS  46   5.858  -4.281  13.874
  374    HE1  HIS  46           HE1      HIS  46   6.384  -0.355  12.417
  375    H    TRP  47           HN       TRP  47   1.560  -3.831   9.236
  376    HA   TRP  47           HA       TRP  47  -0.160  -5.989  10.140
  377   1HB   TRP  47           HB2      TRP  47  -1.556  -4.012  10.709
  378   2HB   TRP  47           HB1      TRP  47  -1.454  -3.474   9.035
  379    HD1  TRP  47           HD1      TRP  47  -2.169  -7.026  10.429
  380    HE1  TRP  47           HE1      TRP  47  -4.371  -7.849   9.391
  381    HE3  TRP  47           HE3      TRP  47  -3.509  -2.854   7.791
  382    HZ2  TRP  47           HZ2      TRP  47  -6.442  -6.876   7.664
  383    HZ3  TRP  47           HZ3      TRP  47  -5.609  -2.826   6.461
  384    HH2  TRP  47           HH2      TRP  47  -7.078  -4.833   6.396
  385    HA   PRO  48           HA       PRO  48   1.743  -5.997   5.860
  386   1HB   PRO  48           HB2      PRO  48   2.111  -8.870   6.392
  387   2HB   PRO  48           HB1      PRO  48   3.323  -7.646   5.978
  388   1HG   PRO  48           HG2      PRO  48   2.972  -8.805   8.530
  389   2HG   PRO  48           HG1      PRO  48   3.904  -7.338   8.181
  390   1HD   PRO  48           HD2      PRO  48   1.306  -7.583   9.523
  391   2HD   PRO  48           HD1      PRO  48   2.375  -6.160   9.425
  392    H    LYS  49           HN       LYS  49  -0.912  -7.617   7.389
  393    HA   LYS  49           HA       LYS  49  -1.791  -9.089   5.039
  394   1HB   LYS  49           HB2      LYS  49  -2.503  -9.470   7.509
  395   2HB   LYS  49           HB1      LYS  49  -3.613  -8.131   7.247
  396   1HG   LYS  49           HG2      LYS  49  -5.004  -9.874   6.625
  397   2HG   LYS  49           HG1      LYS  49  -4.261  -9.532   5.064
  398   1HD   LYS  49           HD2      LYS  49  -2.533 -11.284   5.577
  399   2HD   LYS  49           HD1      LYS  49  -3.442 -11.687   7.035
  400   1HE   LYS  49           HE2      LYS  49  -4.451 -11.850   4.180
  401   2HE   LYS  49           HE1      LYS  49  -4.105 -13.207   5.252
  402   1HZ   LYS  49           HZ1      LYS  49  -5.783 -11.968   6.791
  403   2HZ   LYS  49           HZ3      LYS  49  -6.328 -11.294   5.333
  404   3HZ   LYS  49           HZ2      LYS  49  -6.342 -12.980   5.546
  405    H    GLY  50           HN       GLY  50  -2.127  -5.816   6.206
  406   1HA   GLY  50           HA2      GLY  50  -4.351  -5.092   4.479
  407   2HA   GLY  50           HA1      GLY  50  -3.296  -3.963   5.332
  408    H    GLU  51           HN       GLU  51  -0.842  -5.152   4.179
  409    HA   GLU  51           HA       GLU  51  -0.745  -3.543   1.775
  410   1HB   GLU  51           HB2      GLU  51   1.242  -5.689   2.568
  411   2HB   GLU  51           HB1      GLU  51   1.540  -4.233   1.615
  412   1HG   GLU  51           HG2      GLU  51   0.941  -2.856   3.611
  413   2HG   GLU  51           HG1      GLU  51   0.793  -4.338   4.549
  414    H    GLN  52           HN       GLN  52  -1.282  -6.932   2.520
  415    HA   GLN  52           HA       GLN  52  -0.975  -7.983  -0.127
  416   1HB   GLN  52           HB2      GLN  52  -2.688  -8.864   2.220
  417   2HB   GLN  52           HB1      GLN  52  -2.584  -9.777   0.715
  418   1HG   GLN  52           HG2      GLN  52  -0.046  -9.763   1.039
  419   2HG   GLN  52           HG1      GLN  52  -0.356  -9.170   2.671
  420   1HE2  GLN  52          HE22      GLN  52  -2.417 -12.402   3.045
  421   2HE2  GLN  52          HE21      GLN  52  -2.939 -10.810   2.766
  422    H    ILE  53           HN       ILE  53  -3.686  -6.443   1.573
  423    HA   ILE  53           HA       ILE  53  -5.732  -6.882  -0.341
  424    HB   ILE  53           HB       ILE  53  -5.264  -4.381   1.333
  425   1HG1  ILE  53          HG12      ILE  53  -6.755  -6.955   1.943
  426   2HG1  ILE  53          HG11      ILE  53  -5.288  -6.379   2.741
  427   1HG2  ILE  53          HG22      ILE  53  -7.009  -4.276  -0.551
  428   2HG2  ILE  53          HG21      ILE  53  -7.899  -5.496   0.357
  429   3HG2  ILE  53          HG23      ILE  53  -7.589  -3.917   1.074
  430   1HD1  ILE  53          HD12      ILE  53  -6.695  -4.256   3.299
  431   2HD1  ILE  53          HD11      ILE  53  -8.090  -5.264   2.916
  432   3HD1  ILE  53          HD13      ILE  53  -7.003  -5.722   4.225
  433    H    ILE  54           HN       ILE  54  -3.474  -4.113  -0.088
  434    HA   ILE  54           HA       ILE  54  -4.300  -2.844  -2.505
  435    HB   ILE  54           HB       ILE  54  -1.695  -2.774  -0.959
  436   1HG1  ILE  54          HG12      ILE  54  -3.924  -0.740  -1.280
  437   2HG1  ILE  54          HG11      ILE  54  -3.832  -1.890   0.051
  438   1HG2  ILE  54          HG23      ILE  54  -2.542  -1.348  -3.473
  439   2HG2  ILE  54          HG22      ILE  54  -1.417  -0.582  -2.353
  440   3HG2  ILE  54          HG21      ILE  54  -0.999  -2.115  -3.112
  441   1HD1  ILE  54          HD11      ILE  54  -1.362  -0.853   0.284
  442   2HD1  ILE  54          HD13      ILE  54  -2.146   0.530  -0.475
  443   3HD1  ILE  54          HD12      ILE  54  -2.754  -0.100   1.051
  444    H    ALA  55           HN       ALA  55  -1.522  -5.038  -1.899
  445    HA   ALA  55           HA       ALA  55  -0.584  -5.103  -4.580
  446   1HB   ALA  55           HB1      ALA  55  -0.501  -7.254  -2.441
  447   2HB   ALA  55           HB3      ALA  55   0.442  -7.287  -3.930
  448   3HB   ALA  55           HB2      ALA  55   0.728  -6.025  -2.734
  449    H    ASN  56           HN       ASN  56  -3.161  -6.893  -2.971
  450    HA   ASN  56           HA       ASN  56  -3.632  -8.861  -4.963
  451   1HB   ASN  56           HB2      ASN  56  -4.726  -8.750  -2.681
  452   2HB   ASN  56           HB1      ASN  56  -5.774  -7.481  -3.321
  453   1HD2  ASN  56          HD22      ASN  56  -6.267 -11.340  -4.655
  454   2HD2  ASN  56          HD21      ASN  56  -4.804 -10.895  -3.920
  455    H    ALA  57           HN       ALA  57  -4.539  -5.463  -4.785
  456    HA   ALA  57           HA       ALA  57  -6.451  -5.482  -6.899
  457   1HB   ALA  57           HB3      ALA  57  -5.553  -3.582  -5.170
  458   2HB   ALA  57           HB2      ALA  57  -4.736  -3.056  -6.640
  459   3HB   ALA  57           HB1      ALA  57  -6.495  -3.200  -6.611
  460    H    LEU  58           HN       LEU  58  -2.920  -5.043  -6.956
  461    HA   LEU  58           HA       LEU  58  -2.942  -4.881  -9.914
  462   1HB   LEU  58           HB2      LEU  58  -0.689  -4.845  -7.878
  463   2HB   LEU  58           HB1      LEU  58  -0.474  -4.630  -9.607
  464    HG   LEU  58           HG       LEU  58  -2.353  -2.863  -8.041
  465   1HD1  LEU  58          HD11      LEU  58   0.642  -2.583  -8.408
  466   2HD1  LEU  58          HD13      LEU  58  -0.396  -1.223  -7.989
  467   3HD1  LEU  58          HD12      LEU  58  -0.260  -2.596  -6.894
  468   1HD2  LEU  58          HD21      LEU  58  -0.865  -2.630 -10.681
  469   2HD2  LEU  58          HD23      LEU  58  -2.609  -2.666 -10.431
  470   3HD2  LEU  58          HD22      LEU  58  -1.677  -1.265  -9.920
  471    H    GLU  59           HN       GLU  59  -3.391  -7.323  -7.882
  472    HA   GLU  59           HA       GLU  59  -2.940  -9.616  -7.910
  473   1HB   GLU  59           HB2      GLU  59  -2.548  -8.861 -10.805
  474   2HB   GLU  59           HB1      GLU  59  -2.433 -10.527 -10.241
  475   1HG   GLU  59           HG2      GLU  59  -4.822  -8.755  -9.692
  476   2HG   GLU  59           HG1      GLU  59  -4.719  -9.848 -11.062
  477    H    THR  60           HN       THR  60  -0.711  -7.621  -7.447
  478    HA   THR  60           HA       THR  60   1.618  -9.355  -8.219
  479    HB   THR  60           HB       THR  60   1.553  -6.894  -8.976
  480    HG1  THR  60           HG1      THR  60   3.824  -6.702  -7.953
  481   1HG2  THR  60          HG21      THR  60   0.771  -6.215  -6.554
  482   2HG2  THR  60          HG23      THR  60   2.496  -6.271  -6.191
  483   3HG2  THR  60          HG22      THR  60   1.893  -5.172  -7.430
  484    H    LYS  61           HN       LYS  61   3.443  -8.460  -6.339
  485    HA   LYS  61           HA       LYS  61   2.246  -9.501  -3.811
  486   1HB   LYS  61           HB2      LYS  61   5.190  -9.407  -4.455
  487   2HB   LYS  61           HB1      LYS  61   4.363 -10.437  -3.290
  488   1HG   LYS  61           HG2      LYS  61   4.539 -12.005  -4.971
  489   2HG   LYS  61           HG1      LYS  61   3.085 -11.219  -5.572
  490   1HD   LYS  61           HD2      LYS  61   4.630  -9.663  -6.886
  491   2HD   LYS  61           HD1      LYS  61   5.944 -10.752  -6.451
  492   1HE   LYS  61           HE2      LYS  61   3.412 -11.661  -7.843
  493   2HE   LYS  61           HE1      LYS  61   4.900 -11.243  -8.693
  494   1HZ   LYS  61           HZ3      LYS  61   5.986 -12.904  -7.109
  495   2HZ   LYS  61           HZ2      LYS  61   4.409 -13.466  -6.816
  496   3HZ   LYS  61           HZ1      LYS  61   5.055 -13.519  -8.387
  497    HA   PRO  62           HA       PRO  62   2.908  -5.524  -1.944
  498   1HB   PRO  62           HB2      PRO  62   3.847  -6.482   0.604
  499   2HB   PRO  62           HB1      PRO  62   2.199  -5.993   0.181
  500   1HG   PRO  62           HG2      PRO  62   3.257  -8.706   0.563
  501   2HG   PRO  62           HG1      PRO  62   1.570  -8.188   0.411
  502   1HD   PRO  62           HD2      PRO  62   3.076  -9.580  -1.560
  503   2HD   PRO  62           HD1      PRO  62   1.497  -8.799  -1.794
  504    H    GLU  63           HN       GLU  63   5.440  -7.985  -1.596
  505    HA   GLU  63           HA       GLU  63   7.589  -6.310  -0.816
  506   1HB   GLU  63           HB2      GLU  63   9.026  -8.041  -2.010
  507   2HB   GLU  63           HB1      GLU  63   7.916  -8.687  -0.799
  508   1HG   GLU  63           HG2      GLU  63   6.372  -9.417  -2.461
  509   2HG   GLU  63           HG1      GLU  63   7.186  -8.490  -3.724
  510    H    VAL  64           HN       VAL  64   5.721  -6.029  -3.566
  511    HA   VAL  64           HA       VAL  64   7.921  -5.118  -5.341
  512    HB   VAL  64           HB       VAL  64   4.917  -5.199  -5.776
  513   1HG1  VAL  64          HG11      VAL  64   7.257  -4.543  -7.579
  514   2HG1  VAL  64          HG13      VAL  64   5.671  -4.992  -8.206
  515   3HG1  VAL  64          HG12      VAL  64   5.852  -3.539  -7.223
  516   1HG2  VAL  64          HG21      VAL  64   7.171  -7.051  -6.617
  517   2HG2  VAL  64          HG23      VAL  64   5.813  -7.443  -5.561
  518   3HG2  VAL  64          HG22      VAL  64   5.534  -7.131  -7.273
  519    H    ILE  65           HN       ILE  65   5.290  -3.812  -3.383
  520    HA   ILE  65           HA       ILE  65   5.762  -1.072  -4.394
  521    HB   ILE  65           HB       ILE  65   3.877  -2.144  -2.281
  522   1HG1  ILE  65          HG12      ILE  65   3.075  -1.009  -4.957
  523   2HG1  ILE  65          HG11      ILE  65   3.631  -2.680  -4.866
  524   1HG2  ILE  65          HG23      ILE  65   4.170   0.610  -3.494
  525   2HG2  ILE  65          HG22      ILE  65   2.794   0.105  -2.517
  526   3HG2  ILE  65          HG21      ILE  65   4.400   0.178  -1.800
  527   1HD1  ILE  65          HD11      ILE  65   1.912  -3.105  -3.085
  528   2HD1  ILE  65          HD13      ILE  65   1.299  -1.472  -3.342
  529   3HD1  ILE  65          HD12      ILE  65   1.213  -2.659  -4.639
  530    H    TRP  66           HN       TRP  66   6.742  -3.101  -1.719
  531    HA   TRP  66           HA       TRP  66   8.227  -0.766  -0.544
  532   1HB   TRP  66           HB2      TRP  66   6.668  -2.910   0.924
  533   2HB   TRP  66           HB1      TRP  66   7.841  -1.853   1.710
  534    HD1  TRP  66           HD1      TRP  66   7.316   0.800   1.674
  535    HE1  TRP  66           HE1      TRP  66   5.080   2.072   1.553
  536    HE3  TRP  66           HE3      TRP  66   4.254  -2.978   0.084
  537    HZ2  TRP  66           HZ2      TRP  66   2.343   1.561   0.871
  538    HZ3  TRP  66           HZ3      TRP  66   1.830  -2.559  -0.293
  539    HH2  TRP  66           HH2      TRP  66   0.878  -0.294   0.098
  540    HA   PRO  67           HA       PRO  67  10.962  -4.476  -1.394
  541   1HB   PRO  67           HB2      PRO  67  12.795  -2.997  -2.951
  542   2HB   PRO  67           HB1      PRO  67  11.515  -4.049  -3.583
  543   1HG   PRO  67           HG2      PRO  67  11.635  -1.098  -3.563
  544   2HG   PRO  67           HG1      PRO  67  10.583  -2.163  -4.508
  545   1HD   PRO  67           HD2      PRO  67   9.842  -0.633  -2.202
  546   2HD   PRO  67           HD1      PRO  67   8.859  -1.847  -3.043
  547    H    SER  68           HN       SER  68  11.984  -1.066  -0.899
  548    HA   SER  68           HA       SER  68  14.462  -1.732   0.382
  549   1HB   SER  68           HB2      SER  68  13.719   0.511  -0.646
  550   2HB   SER  68           HB1      SER  68  12.926   0.810   0.899
  551    HG   SER  68           HG       SER  68  15.037   0.304   1.847
  552    H    ARG  69           HN       ARG  69  11.383  -2.268   1.523
  553    HA   ARG  69           HA       ARG  69  12.118  -1.784   4.383
  554   1HB   ARG  69           HB2      ARG  69   9.467  -2.644   3.183
  555   2HB   ARG  69           HB1      ARG  69   9.749  -2.217   4.868
  556   1HG   ARG  69           HG2      ARG  69  10.341  -0.293   2.610
  557   2HG   ARG  69           HG1      ARG  69   8.746  -0.392   3.338
  558   1HD   ARG  69           HD2      ARG  69  11.341   0.358   4.696
  559   2HD   ARG  69           HD1      ARG  69   9.943   1.389   4.451
  560    HE   ARG  69           HE       ARG  69  10.407  -0.392   6.666
  561   1HH1  ARG  69          HH21      ARG  69   7.898   0.600   4.509
  562   2HH1  ARG  69          HH22      ARG  69   6.626   0.022   5.529
  563   1HH2  ARG  69          HH11      ARG  69   8.761  -1.130   7.998
  564   2HH2  ARG  69          HH12      ARG  69   7.112  -0.948   7.501
  565    H    TYR  70           HN       TYR  70  11.667  -4.306   2.025
  566    HA   TYR  70           HA       TYR  70  11.794  -6.415   4.161
  567   1HB   TYR  70           HB2      TYR  70  10.896  -6.394   1.271
  568   2HB   TYR  70           HB1      TYR  70  11.324  -7.911   2.059
  569    HD1  TYR  70           HD2      TYR  70  10.206  -8.413   4.367
  570    HD2  TYR  70           HD1      TYR  70   8.749  -5.509   1.552
  571    HE1  TYR  70           HE2      TYR  70   7.970  -8.475   5.464
  572    HE2  TYR  70           HE1      TYR  70   6.512  -5.559   2.644
  573    HH   TYR  70           HH       TYR  70   5.411  -6.222   4.546
  574    H    GLN  71           HN       GLN  71  13.293  -8.249   3.703
  575    HA   GLN  71           HA       GLN  71  15.506  -7.746   1.832
  576   1HB   GLN  71           HB2      GLN  71  15.680  -7.435   4.804
  577   2HB   GLN  71           HB1      GLN  71  17.016  -8.261   4.019
  578   1HG   GLN  71           HG2      GLN  71  17.256  -6.324   2.460
  579   2HG   GLN  71           HG1      GLN  71  15.988  -5.489   3.359
  580   1HE2  GLN  71          HE22      GLN  71  18.825  -6.233   6.086
  581   2HE2  GLN  71          HE21      GLN  71  17.763  -7.421   5.500
  582    H    ALA  72           HN       ALA  72  14.628  -9.733   4.676
  583    HA   ALA  72           HA       ALA  72  14.785 -12.058   4.991
  584   1HB   ALA  72           HB3      ALA  72  12.877 -11.759   3.311
  585   2HB   ALA  72           HB2      ALA  72  14.042 -12.204   2.063
  586   3HB   ALA  72           HB1      ALA  72  13.640 -13.349   3.342
  587    H    GLY  73           HN       GLY  73  17.162 -11.923   5.184
  588   1HA   GLY  73           HA2      GLY  73  18.827 -12.373   2.843
  589   2HA   GLY  73           HA1      GLY  73  19.363 -12.455   4.523
  590    H    GLU  74           HN       GLU  74  17.877 -14.288   1.904
  591    HA   GLU  74           HA       GLU  74  17.979 -16.785   3.508
  592   1HB   GLU  74           HB2      GLU  74  16.007 -16.304   2.057
  593   2HB   GLU  74           HB1      GLU  74  17.065 -16.340   0.648
  594   1HG   GLU  74           HG2      GLU  74  16.958 -18.671   2.567
  595   2HG   GLU  74           HG1      GLU  74  15.779 -18.514   1.266
   
  No H/Q in entry =         595
   
  No H/Q in entry =         595