*HEADER   COMPLEX (ELECTRON TRANSPORT/PEPTIDE)    02-APR-96   1CQG    
*TITLE    HIGH RESOLUTION SOLUTION NMR STRUCTURE OF MIXED DISULFIDE   
*TITLE   2 INTERMEDIATE BETWEEN HUMAN THIOREDOXIN (C35A, C62A, C69A,  
*TITLE   3 C73A) MUTANT AND A 13 RESIDUE PEPTIDE COMPRISING ITS TARGET
*TITLE   4 SITE IN HUMAN REF-1 (RESIDUES 59 - 71 OF THE P50 SUBUNIT OF
*TITLE   5 NFKB), NMR, 31 STRUCTURES                                  
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: THIOREDOXIN;                                     
*COMPND  3 CHAIN: A;                                                  
*COMPND  4 ENGINEERED: YES;                                           
*COMPND  5 MUTATION: CHAIN A, C35A, C62A, C69A, C73A;                 
*COMPND  6 MOL_ID: 2;                                                 
*COMPND  7 MOLECULE: REF-1 PEPTIDE;                                   
*COMPND  8 CHAIN: B;                                                  
*COMPND  9 FRAGMENT: RESIDUES 59 - 71 OF THE P50 SUBUNIT OF NFKB;     
*COMPND 10 EC: 4.2.99.18                                              
*COMPND 11 ENGINEERED: YES;                                           
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                         
*SOURCE  3 ORGANISM_COMMON: HUMAN;                                    
*SOURCE  4 MOL_ID: 2;                                                 
*SOURCE  5 SYNTHETIC: YES                                             
*KEYWDS   COMPLEX, ELECTRON TRANSPORT/PEPTIDE                         
*EXPDTA   NMR, 35 STRUCTURES                                          
*AUTHOR   G.M.CLORE,J.QIN,A.M.GRONENBORN                              
*REVDAT  1   01-AUG-96 1CQG    0                                      

REMARK    The NOE restraints are given in (A), the torsion angle restraints
REMARK    in (B), the coupling constant restraints in (C), the 13C
REMARK    chemical shift restraints in (D), the 1H shift restraints in (E); 
REMARK    and the complete set of 1H, 15N and 13C assignments in (F)

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 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 shift restraint:  in cases of non-stereoassigned methylene or methyl
protons, the value given is the average of the 2 shifts.

F. 1H, 15N and 13C resonance assignments.



A. Interproton distance restraints

!within hTRX

!M1

!V2
assign (resid 2 and name HG2#) (resid 3 and name HN) 4.0 2.2 1.5	!#A 762  2.78e+05
assign (resid 2 and name HB) (resid 3 and name HN) 4.0 2.2 1.0	!#A 760  2.82e+05
assign (resid 2 and name HA) (resid 3 and name HN) 2.5 0.7 0.4	!#A 34  2.36e+06
assign (resid 2 and name HG1#) (resid 3 and name HN) 2.5 0.7 0.9	!#A 23  1.27e+06
assign (resid 2 and name HG2#) (resid 46 and name HN) 4.0 2.2 1.5	!#A 637  1.85e+05
assign (resid 2 and name HG1#) (resid 56 and name HN) 3.0 1.2 1.2	!#A 348  8.33e+05

!K3
assign (resid 3 and name HB#) (resid 3 and name HN) 2.5 0.7 0.4	!#A 22  1.45e+06
assign (resid 3 and name HA) (resid 3 and name HN) 3.0 1.2 0.5	!#A 21  7.75e+05
assign (resid 3 and name HB#) (resid 4 and name HN) 4.0 2.2 1.0	!#A 74  3.87e+05
assign (resid 3 and name HB1) (resid 4 and name HN) 4.0 2.2 1.0	!#A 37  3.87e+05
assign (resid 3 and name HN) (resid 4 and name HN) 4.0 2.2 1.0	!#A 763  2.01e+05
assign (resid 3 and name HN) (resid 4 and name HA) 4.0 2.2 1.0	!#A 32  6.64e+05
assign (resid 3 and name HG#) (resid 4 and name HN) 4.0 2.2 1.0	!#A 55  2.57e+05
assign (resid 3 and name HA) (resid 4 and name HN) 2.5 0.7 0.4	!#A 53  4.13e+06
assign (resid 3 and name HB1) (resid 5 and name HN) 4.0 2.2 1.5	!#A 767  1.87e+05
assign (resid 3 and name HG#) (resid 5 and name HN) 4.0 2.2 1.0	!#A 77  2.15e+05
assign (resid 3 and name HN) (resid 5 and name HN) 4.0 2.2 2.0	!#A 67  1.68e+05
assign (resid 3 and name HN) (resid 55 and name HA) 3.0 1.2 0.5	!#A 31  6.13e+05
assign (resid 3 and name HB1) (resid 56 and name HN) 4.0 2.2 1.0	!#A 343  1.84e+05
assign (resid 3 and name HN) (resid 56 and name HN) 4.0 2.2 1.0	!#A 764  1.51e+05
assign (resid 3 and name HN) (resid 56 and name HB#) 4.0 2.2 1.0	!#A 35  1.55e+05

!Q4
assign (resid 4 and name HG#) (resid 4 and name HE2#) 4.0 2.2 1.0	!#A 694  4.75e+05
assign (resid 4 and name HG#) (resid 4 and name HE2#) 3.0 1.2 1.0	!#A 693  6.40e+05
assign (resid 4 and name HA) (resid 4 and name HE2#) 4.0 2.2 1.0	!#A 689  4.62e+05
assign (resid 4 and name HG#) (resid 4 and name HE2#) 4.0 2.2 1.0	!#A 514  4.75e+05
assign (resid 4 and name HN) (resid 5 and name HG1#) 4.0 2.2 1.0	!#A 93  2.31e+05
assign (resid 4 and name HG#) (resid 5 and name HN) 4.0 2.2 1.0	!#A 42  4.53e+05
assign (resid 4 and name HA) (resid 5 and name HN) 2.5 0.7 0.4	!#A 40  1.96e+06
assign (resid 4 and name HG#) (resid 6 and name HN) 4.0 2.2 1.0	!#A 153  1.59e+05
assign (resid 4 and name HE2#) (resid 30 and name HG2#) 4.0 2.2 1.0	!#A 696  1.71e+05
assign (resid 4 and name HN) (resid 56 and name HN) 4.0 2.2 1.0	!#A 92  1.92e+05
assign (resid 4 and name HA) (resid 56 and name HN) 3.0 1.2 0.5	!#A 245  7.29e+05
assign (resid 4 and name HE2#) (resid 58 and name HB1) 4.0 2.2 1.0	!#A 690  1.65e+05
assign (resid 4 and name HE2#) (resid 58 and name HN) 4.0 2.2 1.0	!#A 683  2.09e+05
assign (resid 4 and name HG#) (resid 58 and name HN) 4.0 2.2 1.0	!#A 16  3.23e+05

!I5
assign (resid 5 and name HG2#) (resid 5 and name HN) 4.0 2.2 1.5	!#A 79  1.61e+05
assign (resid 5 and name HD1#) (resid 5 and name HN) 4.0 2.2 1.5	!#A 80  2.43e+05
assign (resid 5 and name HB) (resid 5 and name HN) 2.5 0.7 0.4	!#A 43  2.63e+06
assign (resid 5 and name HG1#) (resid 5 and name HN) 4.0 2.2 1.0	!#A 46  2.42e+05
assign (resid 5 and name HD1#) (resid 6 and name HN) 4.0 2.2 1.0	!#A 110  5.05e+05
assign (resid 5 and name HA) (resid 6 and name HN) 2.5 0.7 0.4	!#A 106  2.21e+06
assign (resid 5 and name HG2#) (resid 6 and name HN) 3.0 1.2 1.3	!#A 109  5.61e+05
assign (resid 5 and name HN) (resid 6 and name HN) 4.0 2.2 1.0	!#A 39  1.68e+05
assign (resid 5 and name HB) (resid 7 and name HN) 4.0 2.2 1.0	!#A 733  3.60e+05
assign (resid 5 and name HN) (resid 7 and name HN) 4.0 2.2 1.3	!#A 68  2.17e+05
assign (resid 5 and name HG2#) (resid 7 and name HN) 2.5 0.7 0.9	!#A 544  1.79e+06
assign (resid 5 and name HA) (resid 7 and name HN) 3.0 1.2 0.5	!#A 540  5.94e+05
assign (resid 5 and name HD1#) (resid 11 and name HN) 4.0 2.2 1.5	!#A 327  2.24e+05
assign (resid 5 and name HG2#) (resid 11 and name HN) 2.5 0.7 0.9	!#A 236  1.05e+06
assign (resid 5 and name HG2#) (resid 12 and name HN) 4.0 2.2 1.5	!#A 569  1.53e+05
assign (resid 5 and name HD1#) (resid 14 and name HN) 4.0 2.2 1.5	!#A 262  2.11e+05
assign (resid 5 and name HG1#) (resid 56 and name HN) 4.0 2.2 1.0	!#A 247  1.63e+05
assign (resid 5 and name HN) (resid 56 and name HN) 4.0 2.2 1.0	!#A 243  4.21e+05
assign (resid 5 and name HN) (resid 57 and name HA) 4.0 2.2 1.0	!#A 41  2.00e+05
assign (resid 5 and name HN) (resid 57 and name HG2#) 4.0 2.2 1.5	!#A 47  1.95e+05
assign (resid 5 and name HN) (resid 58 and name HN) 4.0 2.2 1.0	!#A 38  1.58e+05

!E6
assign (resid 6 and name HG#) (resid 6 and name HN) 2.5 0.7 0.4	!#A 107  1.29e+06
assign (resid 6 and name HB2) (resid 6 and name HN) 2.5 0.7 0.4	!#A 107  1.29e+06
assign (resid 6 and name HA) (resid 6 and name HN) 3.0 1.2 0.5	!#A 105  7.24e+05
assign (resid 6 and name HB2) (resid 7 and name HN) 3.0 1.2 0.5	!#A 732  5.05e+05
assign (resid 6 and name HN) (resid 7 and name HB1) 4.0 2.2 1.0	!#A 152  1.79e+05
assign (resid 6 and name HG#) (resid 7 and name HN) 4.0 2.2 1.0	!#A 541  5.05e+05
assign (resid 6 and name HA) (resid 7 and name HN) 3.0 1.2 0.5	!#A 539  5.67e+05
assign (resid 6 and name HB1) (resid 7 and name HN) 4.0 2.2 1.0	!#A 542  3.60e+05
assign (resid 6 and name HN) (resid 7 and name HN) 2.5 0.7 0.4	!#A 104  9.83e+05
assign (resid 6 and name HN) (resid 10 and name HB#) 3.0 1.2 0.5	!#A 108  6.77e+05

!S7
assign (resid 7 and name HB2) (resid 7 and name HN) 4.0 2.2 1.0	!#A 729  1.94e+05
assign (resid 7 and name HA) (resid 7 and name HN) 3.0 1.2 0.5	!#A 538  8.22e+05
assign (resid 7 and name HN) (resid 8 and name HN) 4.0 2.2 1.0	!#A 146  1.65e+05
assign (resid 7 and name HA) (resid 8 and name HN) 4.0 2.2 1.0	!#A 147  2.04e+05
assign (resid 7 and name HN) (resid 9 and name HN) 4.0 2.2 1.0	!#A 536  2.41e+05
assign (resid 7 and name HN) (resid 10 and name HB#) 2.5 0.7 0.9	!#A 543  2.59e+06
assign (resid 7 and name HN) (resid 10 and name HN) 4.0 2.2 1.0	!#A 119  2.34e+05
assign (resid 7 and name HN) (resid 11 and name HN) 4.0 2.2 1.0	!#A 319  1.62e+05
assign (resid 7 and name HN) (resid 65 and name HG2#) 3.0 1.2 1.2	!#A 545  6.27e+05

!K8
assign (resid 8 and name HG#) (resid 8 and name HN) 4.0 2.2 1.0	!#A 148  6.68e+05
assign (resid 8 and name HG#) (resid 9 and name HN) 4.0 2.2 1.0	!#A 615  2.27e+05
assign (resid 8 and name HN) (resid 9 and name HN) 3.0 1.2 0.5	!#A 145  5.65e+05
assign (resid 8 and name HN) (resid 10 and name HN) 4.0 2.2 1.0	!#A 116  1.65e+05
assign (resid 8 and name HB#) (resid 11 and name HN) 4.0 2.2 1.0	!#A 323  3.57e+05
assign (resid 8 and name HG#) (resid 11 and name HN) 4.0 2.2 1.0	!#A 325  1.57e+05
assign (resid 8 and name HA) (resid 11 and name HN) 3.0 1.2 0.5	!#A 232  7.57e+05
assign (resid 8 and name HA) (resid 12 and name HN) 4.0 2.2 1.0	!#A 566  2.39e+05
assign (resid 8 and name HN) (resid 64 and name HB1) 4.0 2.2 1.0	!#A 214  2.01e+05
assign (resid 8 and name HG#) (resid 65 and name HN) 4.0 2.2 1.0	!#A 219  1.72e+05
assign (resid 8 and name HN) (resid 65 and name HN) 4.0 2.2 1.0	!#A 211  1.60e+05
assign (resid 8 and name HN) (resid 65 and name HG2#) 3.0 1.2 0.5	!#A 150  5.58e+05

!T9
assign (resid 9 and name HB) (resid 10 and name HN) 2.5 0.7 0.4	!#A 168  1.05e+06
assign (resid 9 and name HG2#) (resid 10 and name HN) 4.0 2.2 1.5	!#A 122  3.11e+05
assign (resid 9 and name HA) (resid 10 and name HN) 3.0 1.2 0.5	!#A 120  1.05e+06
assign (resid 9 and name HN) (resid 10 and name HN) 3.0 1.2 0.5	!#A 117  7.90e+05
assign (resid 9 and name HG2#) (resid 11 and name HN) 4.0 2.2 1.7	!#A 326  1.96e+05
assign (resid 9 and name HA) (resid 11 and name HN) 4.0 2.2 1.0	!#A 322  2.57e+05
assign (resid 9 and name HA) (resid 12 and name HN) 3.0 1.2 0.8	!#A 424  6.39e+05
assign (resid 9 and name HN) (resid 64 and name HB2) 4.0 2.2 1.2	!#A 465  1.79e+05

!A10
assign (resid 10 and name HA) (resid 10 and name HN) 2.5 0.7 0.4	!#A 167  1.01e+06
assign (resid 10 and name HB#) (resid 10 and name HN) 2.5 0.7 0.9	!#A 121  2.07e+06
assign (resid 10 and name HB#) (resid 11 and name HN) 2.5 0.7 0.9	!#A 235  1.23e+06
assign (resid 10 and name HN) (resid 11 and name HN) 3.0 1.2 0.5	!#A 118  8.01e+05
assign (resid 10 and name HN) (resid 12 and name HN) 4.0 2.2 1.0	!#A 166  1.51e+05
assign (resid 10 and name HN) (resid 13 and name HG#) 4.0 2.2 2.0	!#A 169  1.98e+05
assign (resid 10 and name HA) (resid 13 and name HN) 3.0 1.2 0.7	!#A 414  5.89e+05
assign (resid 10 and name HA) (resid 14 and name HN) 4.0 2.2 1.0	!#A 254  2.91e+05

!F11
assign (resid 11 and name HD#) (resid 11 and name HN) 4.0 2.2 1.0	!#A 320  3.02e+05
assign (resid 11 and name HA) (resid 11 and name HN) 2.5 0.7 0.4	!#A 321  1.19e+06
assign (resid 11 and name HB2) (resid 11 and name HN) 2.5 0.7 0.4	!#A 234  1.50e+06
assign (resid 11 and name HB1) (resid 11 and name HN) 2.5 0.7 0.4	!#A 233  1.51e+06
assign (resid 11 and name HD#) (resid 12 and name HN) 4.0 2.2 1.0	!#A 565  2.91e+05
assign (resid 11 and name HN) (resid 12 and name HN) 2.5 0.7 0.6	!#A 318  1.02e+06
assign (resid 11 and name HB2) (resid 12 and name HN) 3.0 1.2 0.5	!#A 427  6.08e+05
assign (resid 11 and name HA) (resid 12 and name HN) 4.0 2.2 1.0	!#A 423  3.13e+05
assign (resid 11 and name HB1) (resid 12 and name HN) 2.5 0.7 0.4	!#A 426  1.08e+06
assign (resid 11 and name HD#) (resid 14 and name HN) 4.0 2.2 1.5	!#A 253  2.55e+05
assign (resid 11 and name HN) (resid 14 and name HN) 4.0 2.2 1.0	!#A 250  1.63e+05
assign (resid 11 and name HN) (resid 65 and name HG2#) 4.0 2.2 1.5	!#A 327  2.24e+05

!Q12
assign (resid 12 and name HB#) (resid 12 and name HE2#) 3.0 1.2 0.5	!#A 628  5.00e+05
assign (resid 12 and name HE2#) (resid 12 and name HN) 4.0 2.2 1.5	!#A 564  1.87e+05
assign (resid 12 and name HG#) (resid 12 and name HE2#) 2.5 0.7 0.6	!#A 476  2.40e+06
assign (resid 12 and name HG#) (resid 12 and name HN) 3.0 1.2 0.5	!#A 428  5.81e+05
assign (resid 12 and name HA) (resid 12 and name HE2#) 4.0 2.2 1.5	!#A 475  2.49e+05
assign (resid 12 and name HB#) (resid 12 and name HN) 2.5 0.7 0.8	!#A 429  2.27e+06
assign (resid 12 and name HA) (resid 12 and name HN) 2.5 0.7 0.4	!#A 425  1.01e+06
assign (resid 12 and name HE2#) (resid 13 and name HN) 4.0 2.2 2.0	!#A 623  2.39e+05
assign (resid 12 and name HN) (resid 13 and name HN) 2.5 0.7 0.4	!#A 561  9.67e+05
assign (resid 12 and name HA) (resid 13 and name HN) 4.0 2.2 1.0	!#A 552  2.74e+05
assign (resid 12 and name HN) (resid 14 and name HN) 4.0 2.2 1.0	!#A 563  2.06e+05
assign (resid 12 and name HN) (resid 14 and name HB#) 4.0 2.2 1.7	!#A 568  1.73e+05
assign (resid 12 and name HA) (resid 14 and name HN) 4.0 2.2 1.0	!#A 255  1.65e+05
assign (resid 12 and name HA) (resid 15 and name HN) 4.0 2.2 1.0	!#A 558  3.89e+05
assign (resid 12 and name HA) (resid 16 and name HN) 4.0 2.2 1.0	!#A 270  2.27e+05

!E13
assign (resid 13 and name HG#) (resid 14 and name HN) 4.0 2.2 1.0	!#A 257  1.54e+05
assign (resid 13 and name HB1) (resid 14 and name HN) 3.0 1.2 0.8	!#A 260  8.71e+05
assign (resid 13 and name HB2) (resid 14 and name HN) 3.0 1.2 0.5	!#A 259  8.70e+05
assign (resid 13 and name HG#) (resid 14 and name HN) 4.0 2.2 1.0	!#A 182  1.74e+05
assign (resid 13 and name HN) (resid 14 and name HN) 2.5 0.7 0.4	!#A 179  1.34e+06
assign (resid 13 and name HN) (resid 15 and name HN) 4.0 2.2 1.0	!#A 553  1.51e+05
assign (resid 13 and name HA) (resid 16 and name HN) 3.0 1.2 0.5	!#A 269  7.71e+05

!A14
assign (resid 14 and name HB#) (resid 14 and name HN) 2.5 0.7 0.9	!#A 183  3.60e+06
assign (resid 14 and name HA) (resid 14 and name HN) 2.5 0.7 0.4	!#A 181  1.95e+06
assign (resid 14 and name HN) (resid 15 and name HB2) 4.0 2.2 1.0	!#A 261  1.74e+05
assign (resid 14 and name HN) (resid 15 and name HN) 4.0 2.2 1.0	!#A 252  1.79e+05
assign (resid 14 and name HB#) (resid 15 and name HN) 3.0 1.2 1.0	!#A 419  8.41e+05
assign (resid 14 and name HA) (resid 15 and name HN) 4.0 2.2 1.0	!#A 417  3.13e+05
assign (resid 14 and name HB#) (resid 16 and name HN) 4.0 2.2 1.5	!#A 368  2.06e+05
assign (resid 14 and name HN) (resid 16 and name HN) 4.0 2.2 1.0	!#A 249  1.84e+05
assign (resid 14 and name HN) (resid 17 and name HN) 4.0 2.2 1.0	!#A 250  1.63e+05
assign (resid 14 and name HA) (resid 17 and name HN) 3.0 1.2 0.5	!#A 195  7.46e+05
assign (resid 14 and name HA) (resid 18 and name HN) 4.0 2.2 1.0	!#A 445  3.39e+05

!L15
assign (resid 15 and name HG) (resid 15 and name HN) 2.5 0.7 0.4	!#A 420  1.57e+06
assign (resid 15 and name HB1) (resid 15 and name HN) 4.0 2.2 1.0	!#A 420  1.57e+05
assign (resid 15 and name HD2#) (resid 15 and name HN) 4.0 2.2 1.5	!#A 421  4.46e+05
assign (resid 15 and name HD1#) (resid 15 and name HN) 4.0 2.2 1.5	!#A 422  3.34e+05
assign (resid 15 and name HB2) (resid 15 and name HN) 3.0 1.2 0.5	!#A 418  7.22e+05
assign (resid 15 and name HG) (resid 16 and name HN) 3.0 1.2 1.5	!#A 369  9.73e+05
assign (resid 15 and name HA) (resid 16 and name HN) 4.0 2.2 1.0	!#A 365  4.11e+05
assign (resid 15 and name HD1#) (resid 16 and name HN) 4.0 2.2 1.5	!#A 371  1.83e+05
assign (resid 15 and name HD2#) (resid 16 and name HN) 4.0 2.2 1.5	!#A 370  1.70e+05
assign (resid 15 and name HN) (resid 16 and name HA) 4.0 2.2 1.2	!#A 416  1.64e+05
assign (resid 15 and name HB1) (resid 16 and name HN) 3.0 1.2 0.7	!#A 273  9.73e+05
assign (resid 15 and name HB2) (resid 16 and name HN) 2.5 0.7 0.4	!#A 272  9.54e+05
assign (resid 15 and name HN) (resid 16 and name HN) 2.5 0.7 0.4	!#A 266  1.05e+06
assign (resid 15 and name HN) (resid 17 and name HN) 4.0 2.2 1.0	!#A 554  1.59e+05
assign (resid 15 and name HB2) (resid 17 and name HN) 4.0 2.2 1.0	!#A 197  1.89e+05
assign (resid 15 and name HN) (resid 18 and name HN) 4.0 2.2 1.0	!#A 442  1.88e+05
assign (resid 15 and name HD2#) (resid 18 and name HN) 4.0 2.2 2.2	!#A 450  1.94e+05
assign (resid 15 and name HA) (resid 18 and name HN) 4.0 2.2 1.0	!#A 336  4.66e+05
assign (resid 15 and name HD2#) (resid 83 and name HN) 4.0 2.2 1.5	!#A 12  -2.80e+05
assign (resid 15 and name HD1#) (resid 83 and name HN) 4.0 2.2 1.5	!#A 9  -2.54e+05
assign (resid 15 and name HB1) (resid 83 and name HN) 4.0 2.2 1.0	!#A 8  -3.28e+05
assign (resid 15 and name HB1) (resid 84 and name HN) 4.0 2.2 1.2	!#A 484  1.94e+05

!D16
assign (resid 16 and name HB#) (resid 16 and name HN) 2.5 0.7 0.4	!#A 271  3.10e+06
assign (resid 16 and name HA) (resid 16 and name HN) 2.5 0.7 0.4	!#A 268  1.64e+06
assign (resid 16 and name HN) (resid 17 and name HB#) 4.0 2.2 1.2	!#A 367  1.54e+05
assign (resid 16 and name HB#) (resid 17 and name HN) 2.5 0.7 0.6	!#A 196  1.35e+06
assign (resid 16 and name HA) (resid 17 and name HN) 4.0 2.2 1.0	!#A 194  4.49e+05
assign (resid 16 and name HN) (resid 17 and name HN) 2.5 0.7 0.4	!#A 191  1.29e+06
assign (resid 16 and name HB#) (resid 18 and name HN) 4.0 2.2 1.0	!#A 448  1.72e+05
assign (resid 16 and name HA) (resid 18 and name HN) 4.0 2.2 1.0	!#A 443  2.06e+05
assign (resid 16 and name HN) (resid 18 and name HN) 4.0 2.2 1.0	!#A 267  3.16e+05
assign (resid 16 and name HA) (resid 19 and name HN) 4.0 2.2 1.0	!#A 753  2.26e+05

!A17
assign (resid 17 and name HA) (resid 17 and name HN) 2.5 0.7 0.4	!#A 272  1.54e+06
assign (resid 17 and name HB#) (resid 17 and name HN) 2.5 0.7 0.9	!#A 198  3.99e+06
assign (resid 17 and name HA) (resid 18 and name HN) 3.0 1.2 0.5	!#A 444  8.09e+05
assign (resid 17 and name HN) (resid 18 and name HN) 2.5 0.7 0.4	!#A 193  1.68e+06
assign (resid 17 and name HA) (resid 19 and name HN) 4.0 2.2 1.0	!#A 754  4.54e+05
assign (resid 17 and name HN) (resid 19 and name HN) 4.0 2.2 1.0	!#A 192  2.18e+05

!A18
assign (resid 18 and name HA) (resid 18 and name HN) 2.5 0.7 0.4	!#A 446  2.39e+06
assign (resid 18 and name HB#) (resid 18 and name HN) 2.5 0.7 0.9	!#A 337  4.96e+06
assign (resid 18 and name HB#) (resid 19 and name HN) 2.5 0.7 0.9	!#A 572  1.07e+06
assign (resid 18 and name HN) (resid 19 and name HN) 2.5 0.7 0.4	!#A 335  1.55e+06
assign (resid 18 and name HB#) (resid 20 and name HN) 4.0 2.2 1.5	!#A 23  2.17e+05
assign (resid 18 and name HB#) (resid 21 and name HN) 3.0 1.2 1.4	!#A 318  5.93e+05
assign (resid 18 and name HN) (resid 23 and name HG2#) 4.0 2.2 1.5	!#A 449  4.06e+05
assign (resid 18 and name HN) (resid 53 and name HG2#) 4.0 2.2 1.5	!#A 449  4.06e+05

!G19
assign (resid 19 and name HA1) (resid 19 and name HN) 2.5 0.7 0.4	!#A 756  2.90e+06
assign (resid 19 and name HA2) (resid 19 and name HN) 2.5 0.7 0.4	!#A 571  3.07e+06
assign (resid 19 and name HA2) (resid 20 and name HN) 2.5 0.7 0.9	!#A 21  1.61e+06
assign (resid 19 and name HA1) (resid 20 and name HN) 2.5 0.7 0.4	!#A 13  2.89e+06
assign (resid 19 and name HN) (resid 20 and name HN) 4.0 2.2 1.0	!#A 11  4.76e+05
assign (resid 19 and name HA1) (resid 21 and name HN) 3.0 1.2 0.5	!#A 420  5.68e+05
assign (resid 19 and name HA2) (resid 21 and name HN) 4.0 2.2 1.0	!#A 421  1.78e+05
assign (resid 19 and name HN) (resid 21 and name HN) 4.0 2.2 1.0	!#A 314  1.86e+05
assign (resid 19 and name HN) (resid 23 and name HG2#) 4.0 2.2 1.3	!#A 759  3.12e+05

!D20
assign (resid 20 and name HB#) (resid 20 and name HN) 2.5 0.7 0.6	!#A 14  1.78e+06
assign (resid 20 and name HA) (resid 20 and name HN) 2.5 0.7 0.4	!#A 12  1.19e+06
assign (resid 20 and name HN) (resid 21 and name HB2) 4.0 2.2 1.0	!#A 22  2.42e+05
assign (resid 20 and name HB#) (resid 21 and name HN) 4.0 2.2 1.0	!#A 422  4.20e+05
assign (resid 20 and name HA) (resid 21 and name HN) 3.0 1.2 0.5	!#A 417  7.30e+05
assign (resid 20 and name HN) (resid 21 and name HA) 4.0 2.2 1.0	!#A 19  1.87e+05
assign (resid 20 and name HN) (resid 21 and name HN) 2.5 0.7 0.4	!#A 10  1.77e+06
assign (resid 20 and name HN) (resid 82 and name HG#) 4.0 2.2 1.0	!#A 23  2.17e+05

!K21
assign (resid 21 and name HB2) (resid 21 and name HN) 2.5 0.7 0.4	!#A 316  2.18e+06
assign (resid 21 and name HB1) (resid 21 and name HN) 4.0 2.2 1.0	!#A 316  2.18e+05
assign (resid 21 and name HD#) (resid 21 and name HN) 3.0 1.2 1.3	!#A 317  2.21e+06
assign (resid 21 and name HA) (resid 21 and name HN) 2.5 0.7 0.4	!#A 315  1.27e+06
assign (resid 21 and name HN) (resid 22 and name HN) 4.0 2.2 1.0	!#A 202  3.33e+05
assign (resid 21 and name HA) (resid 22 and name HN) 2.5 0.7 0.4	!#A 138  3.96e+06
assign (resid 21 and name HN) (resid 23 and name HG2#) 4.0 2.2 1.0	!#A 425  4.58e+05
assign (resid 21 and name HB1) (resid 53 and name HN) 4.0 2.2 1.0	!#A 44  2.35e+05
assign (resid 21 and name HN) (resid 53 and name HG1#) 4.0 2.2 1.0	!#A 423  1.51e+05

!L22
assign (resid 22 and name HD1#) (resid 22 and name HN) 4.0 2.2 1.0	!#A 210  9.57e+05
assign (resid 22 and name HG) (resid 22 and name HN) 3.0 1.2 0.8	!#A 208  7.64e+05
assign (resid 22 and name HD2#) (resid 22 and name HN) 3.0 1.2 2.0	!#A 143  5.93e+05
assign (resid 22 and name HB2) (resid 22 and name HN) 2.5 0.7 0.4	!#A 142  1.56e+06
assign (resid 22 and name HB1) (resid 22 and name HN) 3.0 1.2 0.5	!#A 141  2.19e+06
assign (resid 22 and name HG) (resid 23 and name HN) 4.0 2.2 1.0	!#A 103  2.50e+05
assign (resid 22 and name HB1) (resid 23 and name HN) 2.5 0.7 0.6	!#A 89  8.85e+05
assign (resid 22 and name HN) (resid 23 and name HN) 4.0 2.2 1.0	!#A 200  5.10e+05
assign (resid 22 and name HD2#) (resid 23 and name HN) 3.0 1.2 1.0	!#A 66  8.05e+05
assign (resid 22 and name HA) (resid 23 and name HN) 2.5 0.7 0.4	!#A 64  1.49e+06
assign (resid 22 and name HB1) (resid 24 and name HN) 4.0 2.2 1.0	!#A 56  1.95e+05
assign (resid 22 and name HN) (resid 52 and name HA) 4.0 2.2 1.0	!#A 137  1.82e+05
assign (resid 22 and name HB1) (resid 53 and name HN) 4.0 2.2 1.0	!#A 44  2.35e+05
assign (resid 22 and name HA) (resid 53 and name HN) 4.0 2.2 1.0	!#A 42  9.75e+05
assign (resid 22 and name HD2#) (resid 80 and name HN) 4.0 2.2 1.5	!#A 170  2.26e+05
assign (resid 22 and name HN) (resid 81 and name HE#) 4.0 2.2 1.0	!#A 139  4.00e+05
assign (resid 22 and name HA) (resid 82 and name HN) 4.0 2.2 1.0	!#A 24  1.93e+05
assign (resid 22 and name HD1#) (resid 103 and name HN) 4.0 2.2 1.5	!#A 502  1.90e+05
assign (resid 22 and name HD1#) (resid 104 and name HN) 4.0 2.2 1.5	!#A 548  1.90e+05
assign (resid 22 and name HN) (resid 105 and name HA) 4.0 2.2 1.0	!#A 205  2.73e+05
assign (resid 22 and name HD1#) (resid 105 and name HN) 4.0 2.2 1.5	!#A 176  4.78e+05

!V23
assign (resid 23 and name HB) (resid 23 and name HN) 2.5 0.7 0.6	!#A 65  8.85e+05
assign (resid 23 and name HA) (resid 23 and name HN) 4.0 2.2 1.0	!#A 63  2.08e+05
assign (resid 23 and name HG1#) (resid 24 and name HN) 4.0 2.2 1.5	!#A 58  3.01e+05
assign (resid 23 and name HN) (resid 24 and name HN) 4.0 2.2 1.0	!#A 49  3.93e+05
assign (resid 23 and name HN) (resid 24 and name HA) 3.0 1.2 1.3	!#A 102  5.03e+05
assign (resid 23 and name HN) (resid 24 and name HG2#) 4.0 2.2 1.5	!#A 67  1.59e+05
assign (resid 23 and name HA) (resid 24 and name HN) 2.5 0.7 0.4	!#A 36  1.01e+06
assign (resid 23 and name HA) (resid 53 and name HN) 4.0 2.2 1.0	!#A 41  3.47e+05
assign (resid 23 and name HN) (resid 53 and name HN) 4.0 2.2 1.0	!#A 38  2.41e+05
assign (resid 23 and name HN) (resid 79 and name HA) 4.0 2.2 1.0	!#A 100  1.87e+05
assign (resid 23 and name HG1#) (resid 80 and name HN) 4.0 2.2 1.5	!#A 171  1.67e+05
assign (resid 23 and name HB) (resid 80 and name HN) 4.0 2.2 1.0	!#A 169  2.74e+05
assign (resid 23 and name HN) (resid 80 and name HN) 4.0 2.2 1.0	!#A 164  3.12e+05
assign (resid 23 and name HN) (resid 81 and name HA) 4.0 2.2 1.0	!#A 101  4.44e+05

!V24
assign (resid 24 and name HB) (resid 24 and name HN) 4.0 2.2 1.0	!#A 61  2.91e+05
assign (resid 24 and name HG2#) (resid 24 and name HN) 4.0 2.2 1.5	!#A 37  1.71e+05
assign (resid 24 and name HG1#) (resid 25 and name HN) 3.0 1.2 1.0	!#A 59  6.05e+05
assign (resid 24 and name HB) (resid 25 and name HN) 4.0 2.2 1.0	!#A 33  2.91e+05
assign (resid 24 and name HN) (resid 52 and name HG1#) 4.0 2.2 1.5	!#A 65  1.82e+05
assign (resid 24 and name HN) (resid 53 and name HB) 4.0 2.2 1.0	!#A 56  1.95e+05
assign (resid 24 and name HN) (resid 53 and name HN) 4.0 2.2 1.0	!#A 24  2.07e+05
assign (resid 24 and name HN) (resid 54 and name HA) 4.0 2.2 1.0	!#A 53  1.71e+05
assign (resid 24 and name HN) (resid 54 and name HN) 4.0 2.2 1.0	!#A 57  2.17e+05
assign (resid 24 and name HN) (resid 55 and name HN) 4.0 2.2 1.0	!#A 221  1.54e+05
assign (resid 24 and name HG1#) (resid 55 and name HN) 4.0 2.2 1.5	!#A 230  2.05e+05
assign (resid 24 and name HA) (resid 80 and name HN) 4.0 2.2 1.0	!#A 167  1.88e+05

!V25
assign (resid 25 and name HA) (resid 25 and name HN) 4.0 2.2 1.0	!#A 55  1.77e+05
assign (resid 25 and name HG2#) (resid 25 and name HN) 3.0 1.2 1.0	!#A 57  5.21e+05
assign (resid 25 and name HG1#) (resid 25 and name HN) 4.0 2.2 1.5	!#A 34  1.53e+05
assign (resid 25 and name HB) (resid 25 and name HN) 4.0 2.2 1.0	!#A 32  3.95e+05
assign (resid 25 and name HB) (resid 26 and name HN) 4.0 2.2 1.0	!#A 184  1.59e+05
assign (resid 25 and name HG1#) (resid 26 and name HN) 4.0 2.2 1.5	!#A 131  2.13e+05
assign (resid 25 and name HG2#) (resid 26 and name HN) 4.0 2.2 1.5	!#A 130  1.77e+05
assign (resid 25 and name HA) (resid 26 and name HN) 3.0 1.2 0.5	!#A 129  5.38e+05
assign (resid 25 and name HG1#) (resid 27 and name HN) 4.0 2.2 1.5	!#A 131  1.85e+05
assign (resid 25 and name HG1#) (resid 55 and name HN) 4.0 2.2 2.5	!#A 231  1.60e+05
assign (resid 25 and name HA) (resid 55 and name HN) 4.0 2.2 1.0	!#A 161  3.36e+05
assign (resid 25 and name HN) (resid 77 and name HA) 4.0 2.2 1.0	!#A 52  1.63e+05
assign (resid 25 and name HN) (resid 77 and name HD1) 4.0 2.2 1.0	!#A 51  1.64e+05
assign (resid 25 and name HG2#) (resid 78 and name HN) 4.0 2.2 1.5	!#A 472  2.52e+05
assign (resid 25 and name HN) (resid 79 and name HN) 4.0 2.2 1.0	!#A 378  1.83e+05
assign (resid 25 and name HG2#) (resid 80 and name HN) 4.0 2.2 1.5	!#A 238  2.19e+05
assign (resid 25 and name HN) (resid 80 and name HN) 4.0 2.2 1.0	!#A 232  1.98e+05
assign (resid 25 and name HN) (resid 80 and name HD2) 4.0 2.2 1.0	!#A 50  1.85e+05

!D26
assign (resid 26 and name HB1) (resid 26 and name HN) 4.0 2.2 1.0	!#A 183  2.47e+05
assign (resid 26 and name HA) (resid 27 and name HN) 3.0 1.2 0.5	!#A 76  7.62e+05
assign (resid 26 and name HN) (resid 42 and name HE#) 4.0 2.2 1.0	!#A 179  1.57e+05
assign (resid 26 and name HN) (resid 55 and name HA) 4.0 2.2 1.0	!#A 180  1.65e+05
assign (resid 26 and name HN) (resid 55 and name HB1) 4.0 2.2 1.0	!#A 185  1.55e+05
assign (resid 26 and name HN) (resid 56 and name HA) 4.0 2.2 1.0	!#A 181  1.95e+05
assign (resid 26 and name HN) (resid 57 and name HG2#) 4.0 2.2 1.5	!#A 187  1.64e+05
assign (resid 26 and name HA) (resid 77 and name HN) 4.0 2.2 1.0	!#A 76  1.62e+05
assign (resid 26 and name HA) (resid 78 and name HN) 3.0 1.2 0.8	!#A 348  3.35e+06

!F27
assign (resid 27 and name HE#) (resid 27 and name HN) 4.0 2.2 1.0	!#A 126  2.70e+05
assign (resid 27 and name HB1) (resid 27 and name HN) 4.0 2.2 1.0	!#A 130  2.39e+05
assign (resid 27 and name HD#) (resid 27 and name HN) 4.0 2.2 1.0	!#A 88  4.70e+05
assign (resid 27 and name HB2) (resid 27 and name HN) 4.0 2.2 1.0	!#A 90  1.52e+05
assign (resid 27 and name HA) (resid 27 and name HN) 4.0 2.2 1.0	!#A 89  1.90e+05
assign (resid 27 and name HE#) (resid 66 and name HN) 4.0 2.2 1.0	!#A 309  1.62e+05
assign (resid 27 and name HD#) (resid 66 and name HN) 4.0 2.2 1.0	!#A 309  1.62e+05
assign (resid 27 and name HB2) (resid 77 and name HN) 4.0 2.2 1.2	!#A 77  1.67e+05
assign (resid 27 and name HN) (resid 78 and name HN) 4.0 2.2 1.0	!#A 462  2.29e+05

!S28
assign (resid 28 and name HB1) (resid 29 and name HN) 4.0 2.2 1.0	!#A 322  2.20e+05
assign (resid 28 and name HB2) (resid 29 and name HN) 4.0 2.2 1.0	!#A 321  1.75e+05
assign (resid 28 and name HA) (resid 29 and name HN) 3.0 1.2 0.5	!#A 320  5.70e+05
assign (resid 28 and name HA) (resid 59 and name HN) 4.0 2.2 1.3	!#A 529  1.78e+05

!A29
assign (resid 29 and name HA) (resid 29 and name HN) 4.0 2.2 1.0	!#A 319  1.69e+05
assign (resid 29 and name HN) (resid 30 and name HN) 4.0 2.2 1.0	!#A 426  1.73e+05
assign (resid 29 and name HB#) (resid 30 and name HN) 4.0 2.2 1.5	!#A 442  3.48e+05
assign (resid 29 and name HA) (resid 30 and name HN) 2.5 0.7 0.4	!#A 438  9.94e+05
assign (resid 29 and name HB#) (resid 31 and name HN) 4.0 2.2 1.5	!#A 497  3.79e+05
assign (resid 29 and name HA) (resid 32 and name HN) 4.0 2.2 1.0	!#A 397  2.53e+05
assign (resid 29 and name HB#) (resid 32 and name HN) 4.0 2.2 1.5	!#A 402  3.12e+05
assign (resid 29 and name HN) (resid 35 and name HB#) 3.0 1.2 1.0	!#A 431  7.21e+05
assign (resid 29 and name HN) (resid 58 and name HA) 4.0 2.2 2.0	!#A 428  4.14e+05
assign (resid 29 and name HB#) (resid 60 and name HN) 4.0 2.2 1.5	!#A 595  4.08e+05

!T30
assign (resid 30 and name HB) (resid 30 and name HN) 4.0 2.2 1.0	!#A 439  3.52e+05
assign (resid 30 and name HG2#) (resid 30 and name HN) 3.0 1.2 1.0	!#A 441  7.47e+05
assign (resid 30 and name HA) (resid 30 and name HN) 4.0 2.2 1.0	!#A 440  3.57e+05
assign (resid 30 and name HN) (resid 31 and name HB1) 4.0 2.2 1.0	!#A 585  2.04e+05
assign (resid 30 and name HN) (resid 31 and name HN) 4.0 2.2 1.0	!#A 580  3.14e+05
assign (resid 30 and name HG2#) (resid 31 and name HN) 4.0 2.2 1.5	!#A 496  1.64e+05
assign (resid 30 and name HG2#) (resid 32 and name HN) 4.0 2.2 1.5	!#A 401  2.13e+05
assign (resid 30 and name HN) (resid 32 and name HN) 4.0 2.2 1.0	!#A 294  1.73e+05
assign (resid 30 and name HN) (resid 58 and name HA) 3.0 1.2 0.5	!#A 581  7.03e+05
assign (resid 30 and name HG2#) (resid 60 and name HN) 4.0 2.2 1.5	!#A 594  1.80e+05

!W31
assign (resid 31 and name HB1) (resid 31 and name HN) 4.0 2.2 1.0	!#A 495  2.56e+05
assign (resid 31 and name HB2) (resid 31 and name HN) 4.0 2.2 1.0	!#A 494  3.80e+05
assign (resid 31 and name HD1) (resid 31 and name HN) 3.0 1.2 0.5	!#A 492  5.88e+05
assign (resid 31 and name HB2) (resid 32 and name HN) 4.0 2.2 1.0	!#A 398  1.96e+05
assign (resid 31 and name HA) (resid 32 and name HN) 4.0 2.2 1.0	!#A 397  2.53e+05
assign (resid 31 and name HN) (resid 58 and name HA) 4.0 2.2 2.0	!#A 648  1.73e+05
assign (resid 31 and name HN) (resid 60 and name HN) 4.0 2.2 1.2	!#A 589  2.02e+05

!C32
assign (resid 32 and name HB2) (resid 32 and name HN) 4.0 2.2 1.0	!#A 400  4.68e+05
assign (resid 32 and name HA) (resid 32 and name HN) 4.0 2.2 1.0	!#A 396  2.86e+05
assign (resid 32 and name HB1) (resid 32 and name HN) 4.0 2.2 1.0	!#A 296  4.43e+05
assign (resid 32 and name HA) (resid 33 and name HN) 4.0 2.2 1.0	!#A 374  3.43e+05
assign (resid 32 and name HN) (resid 34 and name HD2) 4.0 2.2 2.0	!#A 295  1.64e+05
assign (resid 32 and name HN) (resid 35 and name HB#) 4.0 2.2 1.5	!#A 401  2.13e+05
assign (resid 32 and name HA) (resid 36 and name HN) 4.0 2.2 1.5	!#A 302  1.71e+05

!G33
assign (resid 33 and name HA2) (resid 33 and name HN) 4.0 2.2 1.0	!#A 277  2.18e+05
assign (resid 33 and name HA1) (resid 33 and name HN) 4.0 2.2 1.0	!#A 274  4.11e+05
assign (resid 33 and name HN) (resid 34 and name HG#) 4.0 2.2 1.0	!#A 375  1.85e+05
assign (resid 33 and name HN) (resid 34 and name HD#) 4.0 2.2 1.0	!#A 275  1.92e+05

!P34
assign (resid 34 and name HB1) (resid 35 and name HN) 4.0 2.2 1.0	!#A 538  1.68e+05
assign (resid 34 and name HG#) (resid 35 and name HN) 4.0 2.2 1.0	!#A 540  2.46e+05
assign (resid 34 and name HD#) (resid 35 and name HN) 4.0 2.2 1.0	!#A 401  1.84e+05

!A35
assign (resid 35 and name HB#) (resid 35 and name HN) 2.5 0.7 0.7	!#A 541  9.60e+05
assign (resid 35 and name HA) (resid 35 and name HN) 4.0 2.2 1.0	!#A 402  4.08e+05
assign (resid 35 and name HB#) (resid 36 and name HN) 4.0 2.2 1.0	!#A 306  3.59e+05
assign (resid 35 and name HN) (resid 36 and name HN) 4.0 2.2 1.0	!#A 224  4.33e+05

!K36
assign (resid 36 and name HG#) (resid 36 and name HN) 4.0 2.2 1.0	!#A 305  2.96e+05
assign (resid 36 and name HA) (resid 36 and name HN) 4.0 2.2 1.0	!#A 303  3.76e+05
assign (resid 36 and name HB#) (resid 36 and name HN) 3.0 1.2 0.8	!#A 225  7.06e+05
assign (resid 36 and name HG#) (resid 37 and name HN) 4.0 2.2 1.0	!#A 600  2.08e+05
assign (resid 36 and name HB#) (resid 37 and name HN) 3.0 1.2 0.5	!#A 452  5.29e+05
assign (resid 36 and name HN) (resid 37 and name HN) 4.0 2.2 1.0	!#A 447  2.95e+05
assign (resid 36 and name HN) (resid 38 and name HN) 4.0 2.2 1.0	!#A 453  3.16e+05
assign (resid 36 and name HA) (resid 39 and name HN) 4.0 2.2 1.0	!#A 70  3.62e+05

!M37
assign (resid 37 and name HB#) (resid 37 and name HN) 2.5 0.7 0.4	!#A 451  1.05e+06
assign (resid 37 and name HA) (resid 37 and name HN) 3.0 1.2 0.5	!#A 450  6.22e+05
assign (resid 37 and name HG#) (resid 38 and name HN) 4.0 2.2 1.0	!#A 603  1.66e+05
assign (resid 37 and name HN) (resid 38 and name HN) 4.0 2.2 1.0	!#A 596  3.01e+05
assign (resid 37 and name HA) (resid 39 and name HN) 4.0 2.2 1.0	!#A 106  1.89e+05
assign (resid 37 and name HN) (resid 39 and name HN) 4.0 2.2 1.0	!#A 448  3.01e+05

!I38
assign (resid 38 and name HG1#) (resid 38 and name HN) 4.0 2.2 1.5	!#A 605  3.36e+05
assign (resid 38 and name HG2#) (resid 38 and name HN) 4.0 2.2 1.5	!#A 457  3.07e+05
assign (resid 38 and name HB) (resid 38 and name HN) 4.0 2.2 1.0	!#A 456  3.36e+05
assign (resid 38 and name HA) (resid 38 and name HN) 4.0 2.2 1.0	!#A 455  1.91e+05
assign (resid 38 and name HN) (resid 39 and name HG#) 4.0 2.2 1.0	!#A 607  1.57e+05
assign (resid 38 and name HN) (resid 39 and name HN) 2.5 0.7 0.4	!#A 68  2.99e+06
assign (resid 38 and name HG1#) (resid 94 and name HN) 4.0 2.2 2.0	!#A 136  3.10e+05

!K39
assign (resid 39 and name HG#) (resid 39 and name HN) 4.0 2.2 1.0	!#A 110  1.67e+05
assign (resid 39 and name HB#) (resid 39 and name HN) 3.0 1.2 0.5	!#A 72  8.51e+05
assign (resid 39 and name HA) (resid 39 and name HN) 4.0 2.2 1.0	!#A 69  3.89e+05
assign (resid 39 and name HN) (resid 40 and name HG1) 4.0 2.2 1.0	!#A 108  1.66e+05
assign (resid 39 and name HN) (resid 40 and name HD#) 4.0 2.2 1.0	!#A 71  3.53e+05
assign (resid 39 and name HB#) (resid 42 and name HN) 4.0 2.2 1.7	!#A 246  2.01e+05
assign (resid 39 and name HA) (resid 42 and name HN) 4.0 2.2 1.0	!#A 175  2.76e+05
assign (resid 39 and name HB#) (resid 43 and name HN) 4.0 2.2 1.0	!#A 643  2.53e+05

!P40
assign (resid 40 and name HG#) (resid 41 and name HN) 4.0 2.2 1.0	!#A 264  3.96e+05
assign (resid 40 and name HD#) (resid 41 and name HN) 4.0 2.2 1.0	!#A 261  2.16e+05
assign (resid 40 and name HB2) (resid 44 and name HN) 4.0 2.2 1.2	!#A 409  2.74e+05

!F41
assign (resid 41 and name HA) (resid 41 and name HN) 3.0 1.2 0.5	!#A 359  4.94e+05
assign (resid 41 and name HB2) (resid 41 and name HN) 3.0 1.2 0.5	!#A 263  4.93e+05
assign (resid 41 and name HB1) (resid 41 and name HN) 4.0 2.2 1.0	!#A 262  4.74e+05
assign (resid 41 and name HB2) (resid 42 and name HN) 3.0 1.2 0.5	!#A 245  6.67e+05
assign (resid 41 and name HB1) (resid 42 and name HN) 4.0 2.2 1.0	!#A 244  1.99e+05
assign (resid 41 and name HD#) (resid 42 and name HN) 4.0 2.2 1.0	!#A 242  3.03e+05
assign (resid 41 and name HN) (resid 42 and name HN) 4.0 2.2 1.0	!#A 173  3.31e+05
assign (resid 41 and name HD#) (resid 42 and name HN) 4.0 2.2 1.0	!#A 174  3.03e+05
assign (resid 41 and name HN) (resid 44 and name HN) 4.0 2.2 1.0	!#A 358  1.63e+05
assign (resid 41 and name HA) (resid 44 and name HN) 4.0 2.2 1.0	!#A 298  2.86e+05

!F42
assign (resid 42 and name HD#) (resid 42 and name HN) 4.0 2.2 1.0	!#A 241  2.30e+05
assign (resid 42 and name HB2) (resid 42 and name HN) 3.0 1.2 0.5	!#A 178  6.67e+05
assign (resid 42 and name HB1) (resid 42 and name HN) 4.0 2.2 1.0	!#A 177  2.57e+05
assign (resid 42 and name HA) (resid 42 and name HN) 4.0 2.2 1.0	!#A 176  3.62e+05
assign (resid 42 and name HA) (resid 43 and name HN) 4.0 2.2 1.0	!#A 640  1.58e+05
assign (resid 42 and name HD#) (resid 43 and name HN) 4.0 2.2 1.0	!#A 638  2.09e+05
assign (resid 42 and name HB2) (resid 43 and name HN) 4.0 2.2 1.0	!#A 485  2.23e+05
assign (resid 42 and name HB1) (resid 43 and name HN) 4.0 2.2 1.0	!#A 483  2.93e+05
assign (resid 42 and name HN) (resid 43 and name HN) 4.0 2.2 1.0	!#A 172  1.70e+05
assign (resid 42 and name HA) (resid 44 and name HN) 4.0 2.2 1.0	!#A 407  3.64e+05
assign (resid 42 and name HN) (resid 44 and name HN) 4.0 2.2 1.0	!#A 240  2.43e+05

!H43
assign (resid 43 and name HD2) (resid 43 and name HN) 4.0 2.2 1.0	!#A 482  4.13e+05
assign (resid 43 and name HB#) (resid 43 and name HN) 2.5 0.7 0.4	!#A 484  8.94e+05
assign (resid 43 and name HD2) (resid 44 and name HN) 4.0 2.2 1.0	!#A 404  1.93e+05
assign (resid 43 and name HB#) (resid 44 and name HN) 2.5 0.7 0.7	!#A 302  9.15e+05
assign (resid 43 and name HA) (resid 44 and name HN) 4.0 2.2 1.0	!#A 301  3.26e+05
assign (resid 43 and name HA) (resid 46 and name HN) 4.0 2.2 1.0	!#A 632  1.79e+05

!S44
assign (resid 44 and name HB#) (resid 44 and name HN) 2.5 0.7 0.4	!#A 300  1.64e+06
assign (resid 44 and name HA) (resid 44 and name HN) 2.5 0.7 0.4	!#A 299  1.01e+06
assign (resid 44 and name HN) (resid 45 and name HG) 4.0 2.2 1.0	!#A 410  4.08e+05
assign (resid 44 and name HN) (resid 45 and name HN) 3.0 1.2 0.5	!#A 297  6.24e+05
assign (resid 44 and name HA) (resid 47 and name HN) 4.0 2.2 1.0	!#A 487  2.89e+05
assign (resid 44 and name HN) (resid 47 and name HN) 4.0 2.2 2.0	!#A 405  1.69e+05

!L45
assign (resid 45 and name HG) (resid 46 and name HN) 4.0 2.2 1.0	!#A 636  3.29e+05
assign (resid 45 and name HB1) (resid 46 and name HN) 4.0 2.2 1.0	!#A 636  3.29e+05
assign (resid 45 and name HB2) (resid 46 and name HN) 4.0 2.2 1.0	!#A 635  2.92e+05
assign (resid 45 and name HA) (resid 46 and name HN) 4.0 2.2 1.0	!#A 632  2.79e+05
assign (resid 45 and name HB1) (resid 48 and name HN) 4.0 2.2 1.0	!#A 393  1.85e+05
assign (resid 45 and name HA) (resid 48 and name HN) 4.0 2.2 1.0	!#A 289  4.33e+05
assign (resid 45 and name HB2) (resid 49 and name HN) 4.0 2.2 1.0	!#A 460  2.12e+05
assign (resid 45 and name HA) (resid 49 and name HN) 4.0 2.2 1.0	!#A 458  1.62e+05
assign (resid 45 and name HD1#) (resid 98 and name HN) 4.0 2.2 1.5	!#A 578  2.17e+05

!S46
assign (resid 46 and name HB#) (resid 46 and name HN) 3.0 1.2 0.5	!#A 480  7.62e+05
assign (resid 46 and name HA) (resid 46 and name HN) 2.5 0.7 0.4	!#A 479  9.43e+05
assign (resid 46 and name HN) (resid 47 and name HN) 2.5 0.7 0.4	!#A 630  5.86e+06
assign (resid 46 and name HA) (resid 47 and name HN) 4.0 2.2 1.0	!#A 489  2.51e+05
assign (resid 46 and name HN) (resid 48 and name HN) 4.0 2.2 1.0	!#A 478  1.74e+05
assign (resid 46 and name HA) (resid 49 and name HN) 4.0 2.2 1.0	!#A 459  2.06e+05
assign (resid 46 and name HN) (resid 49 and name HN) 4.0 2.2 1.0	!#A 341  1.75e+05
assign (resid 46 and name HN) (resid 54 and name HE1) 4.0 2.2 1.0	!#A 629  1.74e+05
assign (resid 46 and name HN) (resid 54 and name HD1) 4.0 2.2 1.0	!#A 631  3.02e+05

!E47
assign (resid 47 and name HB2) (resid 47 and name HN) 2.5 0.7 0.4	!#A 361  1.22e+06
assign (resid 47 and name HB1) (resid 47 and name HN) 4.0 2.2 1.0	!#A 361  1.52e+05
assign (resid 47 and name HG#) (resid 47 and name HN) 3.0 1.2 0.5	!#A 360  6.33e+05
assign (resid 47 and name HA) (resid 47 and name HN) 2.5 0.7 0.4	!#A 359  9.12e+05
assign (resid 47 and name HA) (resid 48 and name HN) 4.0 2.2 1.0	!#A 388  4.30e+05
assign (resid 47 and name HB#) (resid 48 and name HN) 4.0 2.2 1.0	!#A 290  3.92e+05
assign (resid 47 and name HN) (resid 48 and name HN) 2.5 0.7 0.4	!#A 287  1.04e+06
assign (resid 47 and name HN) (resid 49 and name HN) 4.0 2.2 1.0	!#A 485  2.25e+05

!K48
assign (resid 48 and name HG#) (resid 48 and name HN) 4.0 2.2 1.0	!#A 293  1.85e+05
assign (resid 48 and name HB1) (resid 48 and name HN) 2.5 0.7 0.4	!#A 292  1.00e+06
assign (resid 48 and name HB2) (resid 48 and name HN) 2.5 0.7 0.4	!#A 291  9.64e+05
assign (resid 48 and name HA) (resid 48 and name HN) 2.5 0.7 0.4	!#A 288  1.30e+06
assign (resid 48 and name HA) (resid 49 and name HN) 4.0 2.2 1.0	!#A 457  4.06e+05
assign (resid 48 and name HN) (resid 49 and name HA) 4.0 2.2 1.0	!#A 387  1.61e+05
assign (resid 48 and name HN) (resid 49 and name HD#) 4.0 2.2 1.0	!#A 384  2.88e+05
assign (resid 48 and name HB1) (resid 49 and name HN) 3.0 1.2 0.5	!#A 343  6.12e+05
assign (resid 48 and name HN) (resid 49 and name HN) 2.5 0.7 0.4	!#A 286  1.14e+06
assign (resid 48 and name HN) (resid 54 and name HE#) 4.0 2.2 1.0	!#A 385  3.67e+05

!Y49
assign (resid 49 and name HE#) (resid 49 and name HN) 4.0 2.2 1.0	!#A 454  2.31e+05
assign (resid 49 and name HA) (resid 49 and name HN) 3.0 1.2 0.5	!#A 456  6.35e+05
assign (resid 49 and name HB#) (resid 49 and name HN) 2.5 0.7 0.4	!#A 342  1.09e+06
assign (resid 49 and name HD#) (resid 49 and name HN) 3.0 1.2 0.5	!#A 339  7.02e+05
assign (resid 49 and name HB#) (resid 50 and name HN) 4.0 2.2 1.0	!#A 612  3.38e+05
assign (resid 49 and name HD#) (resid 50 and name HN) 4.0 2.2 1.0	!#A 609  2.17e+05
assign (resid 49 and name HA) (resid 50 and name HN) 2.5 0.7 0.4	!#A 461  3.98e+06
assign (resid 49 and name HN) (resid 50 and name HN) 4.0 2.2 1.0	!#A 338  3.02e+05
assign (resid 49 and name HA) (resid 51 and name HN) 2.5 0.7 0.4	!#A 491  2.53e+06
assign (resid 49 and name HB#) (resid 52 and name HN) 4.0 2.2 1.0	!#A 298  2.05e+05
assign (resid 49 and name HN) (resid 54 and name HZ) 4.0 2.2 1.0	!#A 455  1.75e+05

!S50
assign (resid 50 and name HB1) (resid 50 and name HN) 4.0 2.2 1.0	!#A 464  3.61e+05
assign (resid 50 and name HB2) (resid 50 and name HN) 3.0 1.2 0.5	!#A 463  8.96e+05
assign (resid 50 and name HA) (resid 50 and name HN) 2.5 0.7 0.4	!#A 462  1.42e+06
assign (resid 50 and name HB1) (resid 51 and name HN) 4.0 2.2 1.0	!#A 494  2.84e+05
assign (resid 50 and name HB2) (resid 51 and name HN) 4.0 2.2 1.0	!#A 493  3.27e+05
assign (resid 50 and name HA) (resid 51 and name HN) 2.5 0.7 0.8	!#A 365  8.91e+05
assign (resid 50 and name HN) (resid 51 and name HN) 2.5 0.7 0.4	!#A 362  1.14e+06
assign (resid 50 and name HN) (resid 52 and name HN) 4.0 2.2 1.0	!#A 460  1.64e+05

!N51
assign (resid 51 and name HA) (resid 51 and name HD2#) 4.0 2.2 1.0	!#A 710  3.44e+05
assign (resid 51 and name HN) (resid 51 and name HD2#) 4.0 2.2 1.0	!#A 707  2.37e+05
assign (resid 51 and name HB#) (resid 51 and name HD2#) 3.0 1.2 0.5	!#A 522  9.44e+05
assign (resid 51 and name HB#) (resid 51 and name HN) 2.5 0.7 0.4	!#A 366  1.68e+06
assign (resid 51 and name HA) (resid 51 and name HN) 2.5 0.7 0.4	!#A 364  2.53e+06
assign (resid 51 and name HB1) (resid 52 and name HN) 4.0 2.2 1.0	!#A 298  2.05e+05
assign (resid 51 and name HD2#) (resid 52 and name HA) 4.0 2.2 1.0	!#A 712  1.61e+05
assign (resid 51 and name HD2#) (resid 52 and name HG2#) 4.0 2.2 1.0	!#A 713  1.89e+05
assign (resid 51 and name HN) (resid 52 and name HB) 4.0 2.2 1.0	!#A 495  1.75e+05
assign (resid 51 and name HB#) (resid 52 and name HN) 4.0 2.2 1.0	!#A 299  3.93e+05
assign (resid 51 and name HN) (resid 52 and name HG2#) 4.0 2.2 1.0	!#A 367  4.37e+05
assign (resid 51 and name HA) (resid 52 and name HN) 3.0 1.2 0.5	!#A 219  8.34e+05
assign (resid 51 and name HN) (resid 52 and name HN) 2.5 0.7 0.4	!#A 217  1.40e+06
assign (resid 51 and name HD2#) (resid 105 and name HG2#) 3.0 1.2 0.5	!#A 524  6.98e+05

!V52
assign (resid 52 and name HG1#) (resid 52 and name HN) 4.0 2.2 1.5	!#A 223  4.60e+05
assign (resid 52 and name HG2#) (resid 52 and name HN) 2.5 0.7 0.9	!#A 222  1.09e+06
assign (resid 52 and name HB) (resid 52 and name HN) 2.5 0.7 0.4	!#A 221  1.19e+06
assign (resid 52 and name HA) (resid 52 and name HN) 2.5 0.7 0.4	!#A 220  1.12e+06
assign (resid 52 and name HN) (resid 53 and name HN) 4.0 2.2 1.0	!#A 39  1.64e+05
assign (resid 52 and name HB) (resid 53 and name HN) 4.0 2.2 1.0	!#A 43  1.89e+05
assign (resid 52 and name HG1#) (resid 53 and name HN) 3.0 1.2 0.8	!#A 30  5.65e+05
assign (resid 52 and name HA) (resid 53 and name HN) 2.5 0.7 0.4	!#A 25  9.75e+05
assign (resid 52 and name HN) (resid 54 and name HD1) 4.0 2.2 1.0	!#A 296  1.52e+05
assign (resid 52 and name HN) (resid 54 and name HN) 4.0 2.2 1.9	!#A 94  2.30e+05

!I53
assign (resid 53 and name HG2#) (resid 53 and name HN) 4.0 2.2 1.5	!#A 29  2.29e+05
assign (resid 53 and name HD1#) (resid 53 and name HN) 4.0 2.2 1.5	!#A 29  4.29e+05
assign (resid 53 and name HG1#) (resid 53 and name HN) 4.0 2.2 1.0	!#A 27  1.51e+05
assign (resid 53 and name HB) (resid 53 and name HN) 3.0 1.2 0.5	!#A 26  6.79e+05
assign (resid 53 and name HN) (resid 54 and name HA) 4.0 2.2 1.2	!#A 40  2.40e+05
assign (resid 53 and name HG2#) (resid 54 and name HN) 2.5 0.7 1.1	!#A 62  1.61e+06
assign (resid 53 and name HA) (resid 54 and name HN) 2.5 0.7 0.4	!#A 60  2.78e+06

!F54
assign (resid 54 and name HE#) (resid 54 and name HN) 4.0 2.2 1.0	!#A 766  2.09e+05
assign (resid 54 and name HB2) (resid 54 and name HN) 3.0 1.2 0.5	!#A 61  6.64e+05
assign (resid 54 and name HA) (resid 54 and name HN) 4.0 2.2 1.0	!#A 59  4.09e+05
assign (resid 54 and name HD#) (resid 54 and name HN) 2.5 0.7 0.4	!#A 58  1.06e+06
assign (resid 54 and name HN) (resid 55 and name HD1#) 4.0 2.2 1.0	!#A 98  1.88e+05
assign (resid 54 and name HB1) (resid 55 and name HN) 4.0 2.2 1.0	!#A 162  1.93e+05
assign (resid 54 and name HA) (resid 55 and name HN) 2.5 0.7 0.4	!#A 160  9.18e+05
assign (resid 54 and name HN) (resid 55 and name HN) 4.0 2.2 1.0	!#A 56  1.56e+05

!L55
assign (resid 55 and name HD2#) (resid 55 and name HN) 4.0 2.2 1.5	!#A 229  1.83e+05
assign (resid 55 and name HD1#) (resid 55 and name HN) 4.0 2.2 1.5	!#A 227  3.38e+05
assign (resid 55 and name HB1) (resid 55 and name HN) 4.0 2.2 1.0	!#A 225  1.75e+05
assign (resid 55 and name HB2) (resid 55 and name HN) 4.0 2.2 1.0	!#A 163  1.62e+05
assign (resid 55 and name HG) (resid 56 and name HN) 4.0 2.2 1.0	!#A 345  1.65e+05
assign (resid 55 and name HB2) (resid 56 and name HN) 4.0 2.2 1.0	!#A 344  3.63e+05
assign (resid 55 and name HA) (resid 56 and name HN) 2.5 0.7 0.4	!#A 244  1.94e+06
assign (resid 55 and name HD1#) (resid 56 and name HN) 4.0 2.2 1.5	!#A 249  1.53e+05
assign (resid 55 and name HB1) (resid 56 and name HN) 4.0 2.2 1.0	!#A 248  4.16e+05

!E56
assign (resid 56 and name HG#) (resid 56 and name HN) 4.0 2.2 1.0	!#A 342  2.38e+05
assign (resid 56 and name HA) (resid 56 and name HN) 4.0 2.2 1.0	!#A 339  4.62e+05
assign (resid 56 and name HB#) (resid 56 and name HN) 3.0 1.2 0.5	!#A 246  7.84e+05

!V57
assign (resid 57 and name HB) (resid 59 and name HN) 4.0 2.2 1.5	!#A 533  1.62e+05
assign (resid 57 and name HG1#) (resid 66 and name HN) 4.0 2.2 1.5	!#A 229  2.62e+05

!D58
assign (resid 58 and name HA) (resid 59 and name HN) 2.5 0.7 0.4	!#A 396  1.08e+06
assign (resid 58 and name HB1) (resid 60 and name HN) 4.0 2.2 1.0	!#A 593  1.93e+05
assign (resid 58 and name HN) (resid 60 and name HN) 4.0 2.2 1.0	!#A 13  1.67e+05
assign (resid 58 and name HB1) (resid 62 and name HN) 4.0 2.2 1.0	!#A 125  4.47e+05
assign (resid 58 and name HA) (resid 62 and name HN) 4.0 2.2 1.0	!#A 124  1.75e+05
assign (resid 58 and name HN) (resid 62 and name HN) 4.0 2.2 1.0	!#A 120  1.97e+05
assign (resid 58 and name HB1) (resid 63 and name HN) 3.0 1.2 1.8	!#A 280  5.07e+05

!V59
assign (resid 59 and name HG2#) (resid 59 and name HN) 4.0 2.2 1.5	!#A 399  2.90e+05
assign (resid 59 and name HG1#) (resid 59 and name HN) 4.0 2.2 1.5	!#A 398  2.25e+05
assign (resid 59 and name HN) (resid 60 and name HB1) 4.0 2.2 1.8	!#A 530  1.94e+05
assign (resid 59 and name HG1#) (resid 60 and name HN) 4.0 2.2 1.5	!#A 446  2.15e+05
assign (resid 59 and name HA) (resid 60 and name HN) 4.0 2.2 1.0	!#A 444  2.02e+05
assign (resid 59 and name HN) (resid 60 and name HB2) 4.0 2.2 1.0	!#A 397  1.67e+05
assign (resid 59 and name HN) (resid 61 and name HN) 4.0 2.2 1.0	!#A 527  1.62e+05
assign (resid 59 and name HA) (resid 62 and name HN) 4.0 2.2 1.0	!#A 83  1.62e+05

!D60
assign (resid 60 and name HB#) (resid 60 and name HN) 3.0 1.2 0.5	!#A 445  6.93e+05
assign (resid 60 and name HA) (resid 61 and name HN) 4.0 2.2 1.0	!#A 263  1.67e+05
assign (resid 60 and name HN) (resid 61 and name HN) 3.0 1.2 0.5	!#A 443  6.22e+05
assign (resid 60 and name HA) (resid 62 and name HN) 4.0 2.2 1.0	!#A 123  1.69e+05
assign (resid 60 and name HN) (resid 62 and name HN) 4.0 2.2 1.0	!#A 122  2.08e+05
assign (resid 60 and name HN) (resid 63 and name HA) 4.0 2.2 1.0	!#A 592  2.15e+05
assign (resid 60 and name HA) (resid 63 and name HN) 4.0 2.2 1.0	!#A 278  1.58e+05

!D61
assign (resid 61 and name HB2) (resid 62 and name HN) 4.0 2.2 1.0	!#A 84  4.47e+05
assign (resid 61 and name HB1) (resid 62 and name HN) 4.0 2.2 1.0	!#A 85  3.63e+05
assign (resid 61 and name HA) (resid 62 and name HN) 4.0 2.2 1.0	!#A 82  3.19e+05
assign (resid 61 and name HN) (resid 62 and name HN) 3.0 1.2 0.5	!#A 79  8.43e+05

!A62
assign (resid 62 and name HB#) (resid 62 and name HN) 2.5 0.7 0.7	!#A 86  1.05e+06
assign (resid 62 and name HA) (resid 62 and name HN) 3.0 1.2 0.5	!#A 81  6.69e+05
assign (resid 62 and name HN) (resid 63 and name HN) 4.0 2.2 1.0	!#A 121  3.26e+05
assign (resid 62 and name HB#) (resid 63 and name HN) 4.0 2.2 1.5	!#A 205  3.53e+05
assign (resid 62 and name HA) (resid 63 and name HN) 2.5 0.7 0.4	!#A 200  1.28e+06
assign (resid 62 and name HB#) (resid 64 and name HN) 4.0 2.2 1.5	!#A 520  3.89e+05
assign (resid 62 and name HA) (resid 64 and name HN) 4.0 2.2 1.0	!#A 517  3.92e+05
assign (resid 62 and name HA) (resid 65 and name HN) 4.0 2.2 1.0	!#A 216  2.31e+05
assign (resid 62 and name HB#) (resid 65 and name HN) 4.0 2.2 1.5	!#A 156  4.74e+05
assign (resid 62 and name HB#) (resid 66 and name HN) 3.0 1.2 2.0	!#A 315  7.64e+05

!Q63
assign (resid 63 and name HN) (resid 63 and name HE2#) 4.0 2.2 1.0	!#A 720  2.23e+05
assign (resid 63 and name HG#) (resid 63 and name HE2#) 4.0 2.2 1.0	!#A 529  2.27e+05
assign (resid 63 and name HB#) (resid 63 and name HN) 3.0 1.2 0.5	!#A 204  7.44e+05
assign (resid 63 and name HG1) (resid 63 and name HN) 4.0 2.2 1.0	!#A 202  4.33e+05
assign (resid 63 and name HA) (resid 63 and name HN) 4.0 2.2 1.0	!#A 201  3.08e+05
assign (resid 63 and name HG#) (resid 63 and name HN) 2.5 0.7 0.6	!#A 203  9.73e+05
assign (resid 63 and name HN) (resid 64 and name HA) 4.0 2.2 1.2	!#A 279  1.80e+05
assign (resid 63 and name HG#) (resid 64 and name HN) 4.0 2.2 1.0	!#A 391  5.99e+05
assign (resid 63 and name HB#) (resid 64 and name HN) 3.0 1.2 1.1	!#A 392  1.04e+06
assign (resid 63 and name HA) (resid 64 and name HN) 4.0 2.2 1.0	!#A 389  2.65e+05
assign (resid 63 and name HN) (resid 64 and name HN) 4.0 2.2 1.0	!#A 199  3.78e+05
assign (resid 63 and name HN) (resid 65 and name HN) 4.0 2.2 1.0	!#A 277  1.64e+05
assign (resid 63 and name HG#) (resid 66 and name HN) 4.0 2.2 2.0	!#A 312  1.72e+05
assign (resid 63 and name HA) (resid 66 and name HN) 4.0 2.2 1.0	!#A 310  1.74e+05
assign (resid 63 and name HA) (resid 67 and name HN) 3.0 1.2 0.5	!#A 6  7.85e+05

!D64
assign (resid 64 and name HB1) (resid 64 and name HN) 3.0 1.2 0.5	!#A 519  7.34e+05
assign (resid 64 and name HA) (resid 64 and name HN) 2.5 0.7 0.4	!#A 518  9.88e+05
assign (resid 64 and name HB2) (resid 64 and name HN) 3.0 1.2 0.5	!#A 390  5.25e+05
assign (resid 64 and name HB1) (resid 65 and name HN) 4.0 2.2 1.0	!#A 218  1.70e+05
assign (resid 64 and name HN) (resid 65 and name HG2#) 4.0 2.2 1.5	!#A 393  2.38e+05
assign (resid 64 and name HA) (resid 65 and name HN) 4.0 2.2 1.0	!#A 153  4.50e+05
assign (resid 64 and name HN) (resid 65 and name HN) 2.5 0.7 0.4	!#A 151  1.31e+06
assign (resid 64 and name HN) (resid 66 and name HN) 4.0 2.2 1.0	!#A 226  1.70e+05
assign (resid 64 and name HA) (resid 67 and name HN) 4.0 2.2 1.0	!#A 5  1.80e+05
assign (resid 64 and name HN) (resid 67 and name HN) 2.5 0.7 2.0	!#A 8  7.52e+06

!V65
assign (resid 65 and name HG1#) (resid 65 and name HN) 3.0 1.2 1.3	!#A 158  5.37e+05
assign (resid 65 and name HB) (resid 65 and name HN) 2.5 0.7 0.4	!#A 155  1.42e+06
assign (resid 65 and name HG2#) (resid 65 and name HN) 2.5 0.7 0.7	!#A 157  2.13e+06
assign (resid 65 and name HA) (resid 65 and name HN) 2.5 0.7 0.4	!#A 154  9.13e+05
assign (resid 65 and name HG2#) (resid 66 and name HN) 4.0 2.2 1.5	!#A 316  2.62e+05
assign (resid 65 and name HB) (resid 66 and name HN) 3.0 1.2 0.5	!#A 313  6.01e+05
assign (resid 65 and name HA) (resid 66 and name HN) 4.0 2.2 1.0	!#A 311  2.20e+05
assign (resid 65 and name HG1#) (resid 66 and name HN) 4.0 2.2 1.5	!#A 230  2.26e+05
assign (resid 65 and name HN) (resid 66 and name HN) 2.5 0.7 0.4	!#A 152  9.02e+05
assign (resid 65 and name HN) (resid 67 and name HN) 4.0 2.2 1.0	!#A 4  1.88e+05

!A66
assign (resid 66 and name HB#) (resid 66 and name HN) 4.0 2.2 1.5	!#A 314  2.89e+05
assign (resid 66 and name HA) (resid 66 and name HN) 4.0 2.2 1.0	!#A 228  2.81e+05
assign (resid 66 and name HA) (resid 67 and name HN) 4.0 2.2 1.0	!#A 7  2.04e+05
assign (resid 66 and name HN) (resid 67 and name HN) 4.0 2.2 1.0	!#A 2  3.53e+05
assign (resid 66 and name HB#) (resid 67 and name HN) 4.0 2.2 1.5	!#A 528  3.45e+05
assign (resid 66 and name HN) (resid 69 and name HN) 4.0 2.2 1.0	!#A 308  1.71e+05

!S67
assign (resid 67 and name HB#) (resid 67 and name HN) 3.0 1.2 0.5	!#A 527  5.16e+05
assign (resid 67 and name HA) (resid 67 and name HN) 4.0 2.2 1.0	!#A 526  3.87e+05
assign (resid 67 and name HA) (resid 68 and name HN) 4.0 2.2 1.0	!#A 11  2.16e+05
assign (resid 67 and name HB#) (resid 68 and name HN) 3.0 1.2 0.5	!#A 12  1.06e+06
assign (resid 67 and name HN) (resid 68 and name HN) 4.0 2.2 1.0	!#A 525  1.63e+05
assign (resid 67 and name HA) (resid 70 and name HN) 4.0 2.2 1.0	!#A 13  4.02e+05

!E68
assign (resid 68 and name HB#) (resid 68 and name HN) 2.5 0.7 0.4	!#A 97  1.88e+06
assign (resid 68 and name HG#) (resid 68 and name HN) 4.0 2.2 1.0	!#A 96  2.62e+05
assign (resid 68 and name HA) (resid 68 and name HN) 2.5 0.7 0.4	!#A 95  1.06e+06
assign (resid 68 and name HN) (resid 69 and name HA) 4.0 2.2 1.3	!#A 141  2.16e+05
assign (resid 68 and name HN) (resid 69 and name HN) 3.0 1.2 0.5	!#A 94  8.03e+05
assign (resid 68 and name HA) (resid 70 and name HN) 4.0 2.2 1.0	!#A 488  1.83e+05

!A69
assign (resid 69 and name HN) (resid 70 and name HN) 2.5 0.7 0.4	!#A 644  9.83e+05
assign (resid 69 and name HB#) (resid 70 and name HN) 4.0 2.2 1.5	!#A 491  3.23e+05
assign (resid 69 and name HA) (resid 70 and name HN) 4.0 2.2 1.0	!#A 487  4.02e+05
assign (resid 69 and name HA) (resid 71 and name HN) 4.0 2.2 1.0	!#A 327  1.55e+05
assign (resid 69 and name HA) (resid 78 and name HE2#) 4.0 2.2 1.0	!#A 748  2.04e+05
assign (resid 69 and name HB#) (resid 78 and name HE2#) 4.0 2.2 1.5	!#A 567  1.62e+05

!E70
assign (resid 70 and name HG#) (resid 70 and name HN) 4.0 2.2 1.0	!#A 490  3.44e+05
assign (resid 70 and name HB#) (resid 70 and name HN) 3.0 1.2 0.5	!#A 490  5.44e+05
assign (resid 70 and name HA) (resid 70 and name HN) 2.5 0.7 0.4	!#A 489  1.92e+06
assign (resid 70 and name HA) (resid 71 and name HN) 3.0 1.2 0.5	!#A 328  5.53e+05
assign (resid 70 and name HN) (resid 71 and name HN) 4.0 2.2 1.0	!#A 326  4.63e+05
assign (resid 70 and name HA) (resid 72 and name HN) 4.0 2.2 2.0	!#A 159  1.52e+05

!V71
assign (resid 71 and name HB) (resid 71 and name HN) 3.0 1.2 0.5	!#A 330  6.36e+05
assign (resid 71 and name HA) (resid 71 and name HN) 4.0 2.2 1.0	!#A 329  4.43e+05
assign (resid 71 and name HG2#) (resid 71 and name HN) 3.0 1.2 0.8	!#A 332  7.44e+05
assign (resid 71 and name HG1#) (resid 71 and name HN) 4.0 2.2 1.5	!#A 331  1.99e+05
assign (resid 71 and name HB) (resid 72 and name HN) 4.0 2.2 1.0	!#A 163  1.73e+05
assign (resid 71 and name HG1#) (resid 72 and name HN) 4.0 2.2 1.5	!#A 115  3.09e+05
assign (resid 71 and name HA) (resid 72 and name HN) 2.5 0.7 0.4	!#A 112  1.01e+06
assign (resid 71 and name HB) (resid 73 and name HN) 4.0 2.2 1.0	!#A 292  2.07e+05
assign (resid 71 and name HA) (resid 73 and name HN) 4.0 2.2 1.0	!#A 214  2.02e+05
assign (resid 71 and name HG1#) (resid 73 and name HN) 3.0 1.2 0.8	!#A 216  5.65e+05
assign (resid 71 and name HN) (resid 78 and name HE2#) 4.0 2.2 1.0	!#A 439  2.73e+05

!K72
assign (resid 72 and name HA) (resid 72 and name HN) 4.0 2.2 1.0	!#A 158  3.24e+05
assign (resid 72 and name HG#) (resid 72 and name HN) 4.0 2.2 1.0	!#A 113  1.54e+05
assign (resid 72 and name HB2) (resid 72 and name HN) 4.0 2.2 1.0	!#A 113  2.44e+05
assign (resid 72 and name HB1) (resid 73 and name HN) 4.0 2.2 1.0	!#A 291  1.83e+05
assign (resid 72 and name HB2) (resid 73 and name HN) 4.0 2.2 1.0	!#A 215  2.07e+05
assign (resid 72 and name HA) (resid 73 and name HN) 4.0 2.2 1.0	!#A 213  2.62e+05
assign (resid 72 and name HN) (resid 73 and name HN) 3.0 1.2 0.5	!#A 111  7.44e+05

!A73
assign (resid 73 and name HA) (resid 73 and name HN) 4.0 2.2 1.0	!#A 288  2.60e+05
assign (resid 73 and name HN) (resid 74 and name HA) 4.0 2.2 1.0	!#A 289  1.52e+05
assign (resid 73 and name HB#) (resid 74 and name HN) 4.0 2.2 1.5	!#A 532  3.73e+05
assign (resid 73 and name HA) (resid 74 and name HN) 3.0 1.2 0.5	!#A 530  5.59e+05
assign (resid 73 and name HN) (resid 74 and name HN) 4.0 2.2 1.0	!#A 211  1.54e+05

!T74
assign (resid 74 and name HG2#) (resid 74 and name HN) 4.0 2.2 1.5	!#A 533  1.99e+05
assign (resid 74 and name HA) (resid 74 and name HN) 4.0 2.2 1.0	!#A 531  1.77e+05

!P75
assign (resid 75 and name HA) (resid 76 and name HN) 4.0 2.2 1.0	!#A 324  2.57e+05
assign (resid 75 and name HG#) (resid 92 and name HN) 3.0 1.2 0.8	!#A 18  6.10e+05

!T76
assign (resid 76 and name HB) (resid 76 and name HN) 4.0 2.2 1.0	!#A 325  1.74e+05
assign (resid 76 and name HN) (resid 77 and name HN) 4.0 2.2 1.0	!#A 113  1.69e+05
assign (resid 76 and name HG2#) (resid 78 and name HE2#) 4.0 2.2 1.5	!#A 566  2.69e+05
assign (resid 76 and name HA) (resid 91 and name HN) 4.0 2.2 1.0	!#A 549  1.92e+05

!F77
assign (resid 77 and name HB1) (resid 77 and name HN) 4.0 2.2 1.0	!#A 78  2.30e+05
assign (resid 77 and name HD#) (resid 77 and name HN) 4.0 2.2 1.0	!#A 74  1.77e+05
assign (resid 77 and name HN) (resid 78 and name HN) 4.0 2.2 1.0	!#A 112  1.76e+05
assign (resid 77 and name HA) (resid 78 and name HN) 2.5 0.7 0.4	!#A 346  1.15e+06
assign (resid 77 and name HN) (resid 89 and name HZ) 4.0 2.2 1.3	!#A 114  2.24e+05
assign (resid 77 and name HN) (resid 90 and name HA) 4.0 2.2 1.0	!#A 75  2.79e+05
assign (resid 77 and name HN) (resid 91 and name HN) 4.0 2.2 1.0	!#A 546  1.61e+05

!Q78
assign (resid 78 and name HB2) (resid 78 and name HE2#) 4.0 2.2 1.0	!#A 752  2.55e+05
assign (resid 78 and name HB2) (resid 78 and name HN) 2.5 0.7 0.4	!#A 470  1.08e+06
assign (resid 78 and name HG#) (resid 78 and name HN) 3.0 1.2 0.5	!#A 468  5.08e+05
assign (resid 78 and name HG#) (resid 78 and name HE2#) 4.0 2.2 1.0	!#A 565  2.29e+05
assign (resid 78 and name HB1) (resid 78 and name HN) 4.0 2.2 1.0	!#A 350  2.72e+05
assign (resid 78 and name HA) (resid 78 and name HN) 4.0 2.2 1.0	!#A 347  2.53e+05
assign (resid 78 and name HN) (resid 79 and name HD#) 4.0 2.2 1.0	!#A 464  3.46e+05
assign (resid 78 and name HN) (resid 79 and name HE2#) 4.0 2.2 1.0	!#A 463  1.97e+05
assign (resid 78 and name HB1) (resid 79 and name HN) 4.0 2.2 1.0	!#A 283  2.06e+05
assign (resid 78 and name HA) (resid 79 and name HN) 3.0 1.2 0.5	!#A 281  6.85e+05
assign (resid 78 and name HN) (resid 80 and name HE#) 4.0 2.2 1.0	!#A 344  1.62e+05
assign (resid 78 and name HN) (resid 80 and name HD#) 4.0 2.2 1.0	!#A 345  2.00e+05

!F79
assign (resid 79 and name HD#) (resid 79 and name HN) 3.0 1.2 0.5	!#A 379  6.09e+05
assign (resid 79 and name HB2) (resid 79 and name HN) 4.0 2.2 1.0	!#A 381  2.41e+05
assign (resid 79 and name HB1) (resid 79 and name HN) 4.0 2.2 1.0	!#A 282  1.86e+05
assign (resid 79 and name HA) (resid 79 and name HN) 4.0 2.2 1.0	!#A 280  1.55e+05
assign (resid 79 and name HA) (resid 80 and name HN) 2.5 0.7 0.4	!#A 166  1.29e+06
assign (resid 79 and name HN) (resid 85 and name HG#) 4.0 2.2 1.0	!#A 284  1.85e+05
assign (resid 79 and name HN) (resid 86 and name HG2#) 4.0 2.2 1.5	!#A 285  1.90e+05
assign (resid 79 and name HB2) (resid 86 and name HN) 4.0 2.2 1.0	!#A 188  1.93e+05
assign (resid 79 and name HB1) (resid 87 and name HN) 4.0 2.2 1.0	!#A 743  3.56e+05
assign (resid 79 and name HD#) (resid 87 and name HN) 4.0 2.2 1.0	!#A 740  4.23e+05
assign (resid 79 and name HB2) (resid 87 and name HN) 3.0 1.2 0.5	!#A 561  7.02e+05
assign (resid 79 and name HN) (resid 87 and name HN) 4.0 2.2 1.0	!#A 279  1.72e+05
assign (resid 79 and name HN) (resid 88 and name HB1) 4.0 2.2 1.0	!#A 382  2.23e+05
assign (resid 79 and name HN) (resid 88 and name HA) 4.0 2.2 1.0	!#A 380  1.66e+05
assign (resid 79 and name HE#) (resid 88 and name HN) 4.0 2.2 1.0	!#A 521  2.31e+05
assign (resid 79 and name HN) (resid 89 and name HN) 4.0 2.2 1.2	!#A 278  1.68e+05
assign (resid 79 and name HZ) (resid 101 and name HN) 4.0 2.2 1.0	!#A 352  1.77e+05
assign (resid 79 and name HE#) (resid 101 and name HN) 4.0 2.2 1.0	!#A 253  1.84e+05

!F80
assign (resid 80 and name HB2) (resid 80 and name HN) 4.0 2.2 1.0	!#A 236  3.46e+05
assign (resid 80 and name HB1) (resid 80 and name HN) 4.0 2.2 1.0	!#A 168  3.93e+05
assign (resid 80 and name HD#) (resid 80 and name HN) 4.0 2.2 1.0	!#A 165  4.74e+05
assign (resid 80 and name HD#) (resid 81 and name HN) 4.0 2.2 1.0	!#A 507  1.73e+05
assign (resid 80 and name HB2) (resid 81 and name HN) 4.0 2.2 1.0	!#A 509  2.49e+05
assign (resid 80 and name HB1) (resid 81 and name HN) 4.0 2.2 1.0	!#A 382  2.73e+05
assign (resid 80 and name HA) (resid 81 and name HN) 2.5 0.7 0.4	!#A 380  2.02e+06
assign (resid 80 and name HD#) (resid 83 and name HN) 4.0 2.2 1.0	!#A 2  -1.59e+05
assign (resid 80 and name HA) (resid 84 and name HN) 4.0 2.2 1.0	!#A 477  2.07e+05
assign (resid 80 and name HD#) (resid 84 and name HN) 4.0 2.2 1.0	!#A 476  2.53e+05
assign (resid 80 and name HB1) (resid 84 and name HN) 4.0 2.2 1.0	!#A 354  1.92e+05
assign (resid 80 and name HE#) (resid 85 and name HN) 4.0 2.2 1.0	!#A 83  3.61e+05
assign (resid 80 and name HA) (resid 85 and name HN) 4.0 2.2 1.0	!#A 85  2.14e+05
assign (resid 80 and name HD#) (resid 85 and name HN) 4.0 2.2 1.0	!#A 84  4.73e+05
assign (resid 80 and name HD#) (resid 86 and name HN) 4.0 2.2 1.0	!#A 267  1.83e+05
assign (resid 80 and name HN) (resid 86 and name HG2#) 4.0 2.2 1.0	!#A 171  1.67e+05
assign (resid 80 and name HA) (resid 86 and name HN) 4.0 2.2 1.0	!#A 185  4.06e+05
assign (resid 80 and name HA) (resid 87 and name HN) 4.0 2.2 1.0	!#A 556  1.77e+05

!K81
assign (resid 81 and name HG#) (resid 81 and name HN) 4.0 2.2 1.0	!#A 513  2.57e+05
assign (resid 81 and name HG#) (resid 82 and name HN) 2.5 0.7 0.7	!#A 28  1.00e+06
assign (resid 81 and name HN) (resid 82 and name HN) 4.0 2.2 1.0	!#A 376  1.88e+05
assign (resid 81 and name HB#) (resid 82 and name HN) 3.0 1.2 1.0	!#A 19  6.33e+05
assign (resid 81 and name HA) (resid 82 and name HN) 2.5 0.7 0.4	!#A 16  3.41e+06
assign (resid 81 and name HB#) (resid 83 and name HN) 4.0 2.2 1.0	!#A 9  -1.76e+05
assign (resid 81 and name HN) (resid 83 and name HN) 4.0 2.2 1.0	!#A 1  -1.56e+05
assign (resid 81 and name HG#) (resid 83 and name HN) 4.0 2.2 1.0	!#A 7  -2.30e+05
assign (resid 81 and name HA) (resid 83 and name HN) 4.0 2.2 1.0	!#A 3  -3.79e+05
assign (resid 81 and name HG#) (resid 84 and name HN) 4.0 2.2 1.7	!#A 483  2.09e+05
assign (resid 81 and name HN) (resid 84 and name HE2#) 4.0 2.2 1.0	!#A 505  2.18e+05
assign (resid 81 and name HN) (resid 84 and name HB2) 4.0 2.2 1.0	!#A 383  1.79e+05
assign (resid 81 and name HN) (resid 84 and name HN) 3.0 1.2 0.5	!#A 353  7.10e+05
assign (resid 81 and name HN) (resid 85 and name HN) 4.0 2.2 1.0	!#A 82  4.10e+05
assign (resid 81 and name HN) (resid 85 and name HA) 4.0 2.2 1.0	!#A 381  2.76e+05
assign (resid 81 and name HN) (resid 86 and name HG2#) 4.0 2.2 1.0	!#A 385  4.02e+05
assign (resid 81 and name HN) (resid 86 and name HG1#) 3.0 1.2 1.0	!#A 384  4.92e+05

!K82
assign (resid 82 and name HD#) (resid 82 and name HN) 4.0 2.2 1.0	!#A 27  1.53e+05
assign (resid 82 and name HG#) (resid 82 and name HN) 2.5 0.7 0.4	!#A 20  1.00e+06
assign (resid 82 and name HB1) (resid 82 and name HN) 4.0 2.2 1.0	!#A 18  3.35e+05
assign (resid 82 and name HA) (resid 82 and name HN) 2.5 0.7 0.4	!#A 17  2.79e+06
assign (resid 82 and name HG#) (resid 83 and name HN) 4.0 2.2 1.0	!#A 10  -2.30e+05
assign (resid 82 and name HB1) (resid 83 and name HN) 4.0 2.2 1.0	!#A 6  -2.25e+05
assign (resid 82 and name HA) (resid 83 and name HN) 2.5 0.7 0.7	!#A 5  -2.01e+06
assign (resid 82 and name HN) (resid 83 and name HN) 3.0 1.2 0.5	!#A 1  -8.21e+05
assign (resid 82 and name HB2) (resid 84 and name HE2#) 4.0 2.2 2.0	!#A 704  1.64e+05

!G83
assign (resid 83 and name HA2) (resid 83 and name HN) 2.5 0.7 0.4	!#A 6  -2.46e+06
assign (resid 83 and name HA1) (resid 83 and name HN) 2.5 0.7 0.4	!#A 4  -1.76e+06
assign (resid 83 and name HA2) (resid 84 and name HN) 4.0 2.2 1.0	!#A 479  3.81e+05
assign (resid 83 and name HN) (resid 84 and name HA) 4.0 2.2 1.0	!#A 3  -6.81e+05
assign (resid 83 and name HN) (resid 84 and name HN) 3.0 1.2 0.5	!#A 2  -6.45e+05

!Q84
assign (resid 84 and name HA) (resid 84 and name HE2#) 4.0 2.2 1.0	!#A 701  1.76e+05
assign (resid 84 and name HN) (resid 84 and name HE2#) 4.0 2.2 1.0	!#A 698  6.69e+05
assign (resid 84 and name HB1) (resid 84 and name HN) 4.0 2.2 1.0	!#A 481  3.39e+05
assign (resid 84 and name HE2#) (resid 84 and name HN) 4.0 2.2 1.0	!#A 474  1.80e+05
assign (resid 84 and name HA) (resid 84 and name HN) 2.5 0.7 0.4	!#A 478  1.02e+06
assign (resid 84 and name HB1) (resid 84 and name HE2#) 4.0 2.2 1.0	!#A 518  1.60e+05
assign (resid 84 and name HG#) (resid 84 and name HE2#) 2.5 0.7 0.4	!#A 516  1.37e+06
assign (resid 84 and name HB2) (resid 84 and name HN) 2.5 0.7 0.4	!#A 357  1.45e+06
assign (resid 84 and name HG#) (resid 84 and name HN) 2.5 0.7 0.7	!#A 355  1.11e+06
assign (resid 84 and name HG#) (resid 85 and name HN) 4.0 2.2 1.0	!#A 88  4.00e+05
assign (resid 84 and name HA) (resid 85 and name HN) 2.5 0.7 0.4	!#A 86  4.75e+06
assign (resid 84 and name HN) (resid 85 and name HN) 4.0 2.2 1.0	!#A 352  2.83e+05
assign (resid 84 and name HB1) (resid 85 and name HN) 3.0 1.2 0.5	!#A 50  7.99e+05
assign (resid 84 and name HN) (resid 86 and name HG1#) 4.0 2.2 1.0	!#A 484  1.94e+05
assign (resid 84 and name HE2#) (resid 86 and name HG1#) 4.0 2.2 1.5	!#A 520  1.95e+05

!K85
assign (resid 85 and name HG#) (resid 85 and name HN) 4.0 2.2 1.0	!#A 90  2.05e+05
assign (resid 85 and name HB2) (resid 85 and name HN) 2.5 0.7 0.4	!#A 52  1.79e+06
assign (resid 85 and name HB1) (resid 85 and name HN) 2.5 0.7 0.4	!#A 51  1.53e+06
assign (resid 85 and name HA) (resid 85 and name HN) 3.0 1.2 0.5	!#A 49  7.78e+05
assign (resid 85 and name HA) (resid 86 and name HN) 2.5 0.7 0.4	!#A 187  1.23e+06
assign (resid 85 and name HN) (resid 86 and name HN) 4.0 2.2 1.0	!#A 48  2.46e+05
assign (resid 85 and name HA) (resid 87 and name HN) 3.0 1.2 0.5	!#A 559  6.02e+05
assign (resid 85 and name HG#) (resid 87 and name HN) 2.5 0.7 0.4	!#A 562  1.74e+06

!V86
assign (resid 86 and name HB) (resid 86 and name HN) 4.0 2.2 1.0	!#A 269  1.93e+05
assign (resid 86 and name HG2#) (resid 86 and name HN) 2.5 0.7 0.7	!#A 190  9.16e+05
assign (resid 86 and name HG1#) (resid 86 and name HN) 4.0 2.2 1.5	!#A 189  2.67e+05
assign (resid 86 and name HA) (resid 86 and name HN) 4.0 2.2 1.0	!#A 186  3.62e+05
assign (resid 86 and name HB) (resid 87 and name HN) 4.0 2.2 1.0	!#A 744  1.52e+05
assign (resid 86 and name HA) (resid 87 and name HN) 3.0 1.2 0.5	!#A 557  6.74e+05
assign (resid 86 and name HG2#) (resid 87 and name HN) 3.0 1.2 0.9	!#A 563  8.44e+05
assign (resid 86 and name HN) (resid 87 and name HN) 3.0 1.2 0.5	!#A 184  7.69e+05

!G87
assign (resid 87 and name HA2) (resid 87 and name HN) 2.5 0.7 0.4	!#A 560  9.05e+05
assign (resid 87 and name HA1) (resid 87 and name HN) 2.5 0.7 0.4	!#A 558  8.83e+05
assign (resid 87 and name HN) (resid 88 and name HN) 4.0 2.2 1.0	!#A 394  3.40e+05
assign (resid 87 and name HN) (resid 104 and name HD1#) 4.0 2.2 1.0	!#A 745  1.85e+05

!E88
assign (resid 88 and name HN) (resid 89 and name HN) 4.0 2.2 1.0	!#A 395  1.95e+05

!F89
assign (resid 89 and name HA) (resid 90 and name HN) 4.0 2.2 1.0	!#A 473  1.78e+05
assign (resid 89 and name HZ) (resid 93 and name HN) 4.0 2.2 1.0	!#A 147  1.89e+05
assign (resid 89 and name HE#) (resid 97 and name HN) 4.0 2.2 1.0	!#A 190  2.10e+05
assign (resid 89 and name HZ) (resid 97 and name HN) 4.0 2.2 1.0	!#A 133  4.57e+05
assign (resid 89 and name HZ) (resid 98 and name HN) 4.0 2.2 1.5	!#A 571  2.01e+05

!S90
assign (resid 90 and name HB2) (resid 91 and name HN) 4.0 2.2 1.0	!#A 739  2.02e+05
assign (resid 90 and name HN) (resid 91 and name HN) 4.0 2.2 1.0	!#A 621  1.59e+05
assign (resid 90 and name HA) (resid 91 and name HN) 3.0 1.2 0.5	!#A 547  6.98e+05

!G91
assign (resid 91 and name HA2) (resid 91 and name HN) 4.0 2.2 1.0	!#A 552  4.02e+05
assign (resid 91 and name HA1) (resid 91 and name HN) 4.0 2.2 1.0	!#A 548  2.97e+05
assign (resid 91 and name HA1) (resid 92 and name HN) 4.0 2.2 1.0	!#A 15  4.55e+05
assign (resid 91 and name HA2) (resid 92 and name HN) 4.0 2.2 1.0	!#A 17  4.45e+05
assign (resid 91 and name HN) (resid 92 and name HA) 4.0 2.2 1.0	!#A 737  1.92e+05

!A92
assign (resid 92 and name HA) (resid 92 and name HN) 4.0 2.2 1.0	!#A 16  2.07e+05
assign (resid 92 and name HN) (resid 93 and name HN) 4.0 2.2 1.0	!#A 14  1.65e+05
assign (resid 92 and name HB#) (resid 93 and name HN) 4.0 2.2 1.5	!#A 102  2.18e+05
assign (resid 92 and name HA) (resid 93 and name HN) 3.0 1.2 0.5	!#A 99  7.48e+05
assign (resid 92 and name HA) (resid 94 and name HN) 4.0 2.2 1.0	!#A 135  2.07e+05

!N93
assign (resid 93 and name HB1) (resid 93 and name HD2#) 4.0 2.2 1.0	!#A 674  3.06e+05
assign (resid 93 and name HB2) (resid 93 and name HD2#) 4.0 2.2 1.0	!#A 509  4.75e+05
assign (resid 93 and name HB1) (resid 93 and name HN) 4.0 2.2 1.0	!#A 100  3.35e+05
assign (resid 93 and name HA) (resid 93 and name HN) 4.0 2.2 1.0	!#A 98  2.65e+05
assign (resid 93 and name HB2) (resid 93 and name HN) 4.0 2.2 1.0	!#A 101  2.70e+05
assign (resid 93 and name HD2#) (resid 94 and name HN) 4.0 2.2 1.0	!#A 133  1.57e+05
assign (resid 93 and name HN) (resid 94 and name HD#) 4.0 2.2 1.0	!#A 150  3.28e+05
assign (resid 93 and name HN) (resid 94 and name HN) 4.0 2.2 1.0	!#A 144  1.60e+05
assign (resid 93 and name HD2#) (resid 94 and name HD#) 4.0 2.2 1.0	!#A 512  2.16e+05
assign (resid 93 and name HD2#) (resid 95 and name HN) 4.0 2.2 1.0	!#A 668  1.68e+05
assign (resid 93 and name HA) (resid 95 and name HN) 4.0 2.2 1.0	!#A 306  1.88e+05
assign (resid 93 and name HD2#) (resid 96 and name HB1) 4.0 2.2 1.0	!#A 681  2.16e+05
assign (resid 93 and name HD2#) (resid 96 and name HB2) 4.0 2.2 1.0	!#A 679  1.68e+05
assign (resid 93 and name HN) (resid 96 and name HB1) 4.0 2.2 1.0	!#A 149  1.98e+05
assign (resid 93 and name HN) (resid 96 and name HB2) 4.0 2.2 1.0	!#A 148  2.18e+05
assign (resid 93 and name HD2#) (resid 96 and name HN) 4.0 2.2 1.0	!#A 283  2.24e+05
assign (resid 93 and name HA) (resid 96 and name HN) 4.0 2.2 1.0	!#A 284  1.66e+05
assign (resid 93 and name HB1) (resid 96 and name HN) 4.0 2.2 1.0	!#A 209  1.90e+05
assign (resid 93 and name HD2#) (resid 97 and name HN) 4.0 2.2 2.0	!#A 191  1.91e+05

!K94
assign (resid 94 and name HB1) (resid 94 and name HN) 3.0 1.2 0.5	!#A 92  6.11e+05
assign (resid 94 and name HG#) (resid 94 and name HN) 4.0 2.2 1.0	!#A 93  1.64e+05
assign (resid 94 and name HN) (resid 95 and name HB2) 4.0 2.2 1.0	!#A 136  3.10e+05
assign (resid 94 and name HD#) (resid 95 and name HN) 4.0 2.2 1.0	!#A 414  2.05e+05
assign (resid 94 and name HB2) (resid 95 and name HN) 4.0 2.2 1.0	!#A 312  2.05e+05
assign (resid 94 and name HA) (resid 95 and name HN) 4.0 2.2 1.0	!#A 308  1.84e+05
assign (resid 94 and name HN) (resid 95 and name HN) 4.0 2.2 1.0	!#A 91  2.33e+05
assign (resid 94 and name HA) (resid 97 and name HN) 4.0 2.2 1.0	!#A 193  2.49e+05

!E95
assign (resid 95 and name HB2) (resid 95 and name HN) 4.0 2.2 1.0	!#A 413  3.36e+05
assign (resid 95 and name HG#) (resid 95 and name HN) 4.0 2.2 1.0	!#A 309  3.73e+05
assign (resid 95 and name HB1) (resid 95 and name HN) 3.0 1.2 0.5	!#A 310  6.08e+05
assign (resid 95 and name HA) (resid 95 and name HN) 3.0 1.2 0.5	!#A 307  4.96e+05
assign (resid 95 and name HG#) (resid 96 and name HN) 4.0 2.2 1.0	!#A 285  1.90e+05
assign (resid 95 and name HB2) (resid 96 and name HN) 4.0 2.2 1.0	!#A 286  1.65e+05
assign (resid 95 and name HN) (resid 96 and name HB#) 4.0 2.2 1.0	!#A 311  2.24e+05
assign (resid 95 and name HN) (resid 96 and name HN) 4.0 2.2 1.0	!#A 305  2.75e+05
assign (resid 95 and name HA) (resid 98 and name HN) 3.0 1.2 0.5	!#A 433  5.35e+05
assign (resid 95 and name HN) (resid 98 and name HN) 4.0 2.2 1.2	!#A 304  4.82e+05

!K96
assign (resid 96 and name HB1) (resid 96 and name HN) 3.0 1.2 0.5	!#A 210  8.04e+05
assign (resid 96 and name HA) (resid 96 and name HN) 3.0 1.2 0.5	!#A 208  7.97e+05
assign (resid 96 and name HB2) (resid 97 and name HN) 4.0 2.2 1.0	!#A 195  2.64e+05
assign (resid 96 and name HA) (resid 97 and name HN) 4.0 2.2 1.0	!#A 192  3.45e+05
assign (resid 96 and name HG#) (resid 97 and name HN) 4.0 2.2 1.0	!#A 199  1.54e+05
assign (resid 96 and name HB1) (resid 97 and name HN) 4.0 2.2 1.0	!#A 196  3.26e+05
assign (resid 96 and name HN) (resid 97 and name HN) 4.0 2.2 1.0	!#A 206  4.75e+05
assign (resid 96 and name HG#) (resid 98 and name HN) 4.0 2.2 1.8	!#A 578  2.17e+05
assign (resid 96 and name HB2) (resid 98 and name HN) 4.0 2.2 1.3	!#A 576  2.37e+05
assign (resid 96 and name HA) (resid 98 and name HN) 4.0 2.2 1.0	!#A 573  1.55e+05
assign (resid 96 and name HN) (resid 99 and name HN) 4.0 2.2 1.0	!#A 281  4.70e+05
assign (resid 96 and name HA) (resid 99 and name HN) 4.0 2.2 1.0	!#A 240  3.40e+05

!L97
assign (resid 97 and name HD1#) (resid 97 and name HN) 4.0 2.2 1.5	!#A 197  2.67e+05
assign (resid 97 and name HB1) (resid 97 and name HN) 3.0 1.2 0.5	!#A 136  1.32e+06
assign (resid 97 and name HB2) (resid 97 and name HN) 3.0 1.2 0.5	!#A 135  7.76e+05
assign (resid 97 and name HA) (resid 97 and name HN) 3.0 1.2 0.5	!#A 134  5.44e+05
assign (resid 97 and name HB1) (resid 98 and name HN) 3.0 1.2 0.5	!#A 575  7.89e+05
assign (resid 97 and name HD2#) (resid 98 and name HN) 4.0 2.2 1.7	!#A 436  4.37e+05
assign (resid 97 and name HN) (resid 98 and name HN) 2.5 0.7 0.4	!#A 132  1.07e+06
assign (resid 97 and name HB1) (resid 99 and name HN) 4.0 2.2 1.5	!#A 333  2.17e+05
assign (resid 97 and name HN) (resid 99 and name HN) 4.0 2.2 1.0	!#A 328  1.62e+05

!E98
assign (resid 98 and name HB#) (resid 98 and name HN) 2.5 0.7 0.4	!#A 435  1.73e+06
assign (resid 98 and name HA) (resid 98 and name HN) 3.0 1.2 0.5	!#A 434  8.45e+05
assign (resid 98 and name HN) (resid 99 and name HB#) 4.0 2.2 1.2	!#A 576  2.37e+05
assign (resid 98 and name HG#) (resid 99 and name HN) 4.0 2.2 1.0	!#A 331  2.05e+05
assign (resid 98 and name HA) (resid 99 and name HN) 4.0 2.2 1.0	!#A 240  3.40e+05
assign (resid 98 and name HB#) (resid 99 and name HN) 2.5 0.7 0.6	!#A 241  8.88e+05
assign (resid 98 and name HN) (resid 99 and name HN) 2.5 0.7 0.4	!#A 238  1.04e+06
assign (resid 98 and name HN) (resid 100 and name HN) 4.0 2.2 1.0	!#A 467  1.79e+05
assign (resid 98 and name HA) (resid 101 and name HN) 4.0 2.2 1.0	!#A 355  2.36e+05
assign (resid 98 and name HN) (resid 101 and name HD1#) 4.0 2.2 1.0	!#A 577  2.35e+05
assign (resid 98 and name HN) (resid 101 and name HN) 4.0 2.2 1.0	!#A 251  4.96e+05
assign (resid 98 and name HG#) (resid 102 and name HN) 4.0 2.2 1.0	!#A 662  1.57e+05
assign (resid 98 and name HG#) (resid 102 and name HD2#) 4.0 2.2 1.0	!#A 501  3.29e+05

!A99
assign (resid 99 and name HB#) (resid 99 and name HN) 2.5 0.7 0.7	!#A 242  3.94e+06
assign (resid 99 and name HA) (resid 99 and name HN) 4.0 2.2 1.0	!#A 239  1.86e+05
assign (resid 99 and name HA) (resid 100 and name HN) 4.0 2.2 1.0	!#A 619  2.27e+05
assign (resid 99 and name HB#) (resid 100 and name HN) 2.5 0.7 0.7	!#A 471  9.79e+05
assign (resid 99 and name HN) (resid 100 and name HN) 3.0 1.2 0.5	!#A 237  5.62e+05
assign (resid 99 and name HA) (resid 101 and name HN) 4.0 2.2 1.0	!#A 354  2.85e+05
assign (resid 99 and name HA) (resid 102 and name HN) 4.0 2.2 1.0	!#A 660  4.01e+05
assign (resid 99 and name HA) (resid 102 and name HD2#) 4.0 2.2 1.0	!#A 499  3.45e+05

!T100
assign (resid 100 and name HG2#) (resid 100 and name HN) 4.0 2.2 1.5	!#A 472  3.83e+05
assign (resid 100 and name HA) (resid 100 and name HN) 3.0 1.2 0.5	!#A 470  5.72e+05
assign (resid 100 and name HB) (resid 100 and name HN) 3.0 1.2 0.5	!#A 469  7.03e+05
assign (resid 100 and name HB) (resid 101 and name HN) 4.0 2.2 1.0	!#A 254  3.20e+05
assign (resid 100 and name HN) (resid 101 and name HN) 4.0 2.2 1.0	!#A 250  3.38e+05
assign (resid 100 and name HN) (resid 102 and name HN) 4.0 2.2 1.0	!#A 617  1.66e+05
assign (resid 100 and name HG2#) (resid 103 and name HN) 4.0 2.2 1.5	!#A 503  1.79e+05
assign (resid 100 and name HN) (resid 103 and name HN) 4.0 2.2 1.0	!#A 496  1.74e+05
assign (resid 100 and name HA) (resid 103 and name HN) 3.0 1.2 0.5	!#A 499  6.82e+05
assign (resid 100 and name HA) (resid 104 and name HN) 4.0 2.2 1.0	!#A 543  1.69e+05

!I101
assign (resid 101 and name HG1#) (resid 101 and name HN) 4.0 2.2 1.5	!#A 258  3.17e+05
assign (resid 101 and name HG2#) (resid 101 and name HN) 4.0 2.2 1.5	!#A 259  2.56e+05
assign (resid 101 and name HB) (resid 101 and name HN) 3.0 1.2 0.5	!#A 257  5.14e+05
assign (resid 101 and name HA) (resid 101 and name HN) 4.0 2.2 1.0	!#A 255  2.40e+05
assign (resid 101 and name HD1#) (resid 102 and name HN) 4.0 2.2 1.5	!#A 665  1.68e+05
assign (resid 101 and name HG1#) (resid 102 and name HN) 4.0 2.2 1.0	!#A 666  2.17e+05
assign (resid 101 and name HN) (resid 102 and name HN) 2.5 0.7 0.4	!#A 657  2.62e+06
assign (resid 101 and name HG2#) (resid 102 and name HN) 4.0 2.2 1.5	!#A 508  4.67e+05
assign (resid 101 and name HB) (resid 102 and name HN) 3.0 1.2 0.5	!#A 507  8.73e+05
assign (resid 101 and name HN) (resid 103 and name HB2) 4.0 2.2 1.0	!#A 256  6.43e+05
assign (resid 101 and name HN) (resid 103 and name HN) 4.0 2.2 1.0	!#A 252  2.63e+05
assign (resid 101 and name HA) (resid 104 and name HN) 4.0 2.2 1.0	!#A 407  2.09e+05

!N102
assign (resid 102 and name HN) (resid 102 and name HD2#) 4.0 2.2 1.0	!#A 653  6.23e+05
assign (resid 102 and name HB#) (resid 102 and name HD2#) 3.0 1.2 0.5	!#A 500  8.68e+05
assign (resid 102 and name HB#) (resid 102 and name HN) 2.5 0.7 0.4	!#A 506  1.32e+06
assign (resid 102 and name HA) (resid 102 and name HN) 3.0 1.2 0.5	!#A 505  7.30e+05
assign (resid 102 and name HN) (resid 103 and name HB2) 4.0 2.2 1.0	!#A 663  1.96e+05
assign (resid 102 and name HD2#) (resid 103 and name HN) 4.0 2.2 2.5	!#A 651  2.33e+05
assign (resid 102 and name HN) (resid 103 and name HN) 3.0 1.2 0.5	!#A 504  6.02e+05
assign (resid 102 and name HB#) (resid 103 and name HN) 3.0 1.2 0.5	!#A 372  5.76e+05
assign (resid 102 and name HA) (resid 103 and name HN) 4.0 2.2 1.0	!#A 370  4.41e+05
assign (resid 102 and name HN) (resid 105 and name HB) 4.0 2.2 1.0	!#A 663  1.96e+05
assign (resid 102 and name HA) (resid 105 and name HN) 4.0 2.2 1.0	!#A 171  3.24e+05

!E103
assign (resid 103 and name HB1) (resid 103 and name HN) 2.5 0.7 0.4	!#A 375  1.14e+06
assign (resid 103 and name HB2) (resid 103 and name HN) 2.5 0.7 0.4	!#A 374  1.39e+06
assign (resid 103 and name HG#) (resid 103 and name HN) 4.0 2.2 1.0	!#A 373  7.19e+05
assign (resid 103 and name HA) (resid 103 and name HN) 2.5 0.7 0.4	!#A 371  1.72e+06
assign (resid 103 and name HN) (resid 104 and name HG) 4.0 2.2 1.0	!#A 500  2.22e+05
assign (resid 103 and name HB1) (resid 104 and name HN) 4.0 2.2 1.0	!#A 545  3.83e+05
assign (resid 103 and name HN) (resid 104 and name HA) 4.0 2.2 1.3	!#A 497  1.60e+05
assign (resid 103 and name HB2) (resid 104 and name HN) 4.0 2.2 1.0	!#A 408  3.70e+05
assign (resid 103 and name HA) (resid 104 and name HN) 4.0 2.2 1.0	!#A 406  4.48e+05
assign (resid 103 and name HN) (resid 104 and name HN) 2.5 0.7 0.4	!#A 369  1.66e+06
assign (resid 103 and name HN) (resid 105 and name HN) 4.0 2.2 1.0	!#A 123  3.24e+05

!L104
assign (resid 104 and name HB2) (resid 104 and name HN) 2.5 0.7 0.4	!#A 546  2.02e+06
assign (resid 104 and name HD1#) (resid 104 and name HN) 3.0 1.2 1.1	!#A 413  5.17e+05
assign (resid 104 and name HD2#) (resid 104 and name HN) 3.0 1.2 1.0	!#A 412  5.33e+05
assign (resid 104 and name HB1) (resid 104 and name HN) 3.0 1.2 0.7	!#A 410  5.87e+05
assign (resid 104 and name HG) (resid 104 and name HN) 2.5 0.7 0.4	!#A 409  2.02e+06
assign (resid 104 and name HA) (resid 104 and name HN) 3.0 1.2 0.5	!#A 405  8.64e+05
assign (resid 104 and name HB1) (resid 105 and name HN) 4.0 2.2 1.0	!#A 174  2.06e+05
assign (resid 104 and name HB2) (resid 105 and name HN) 4.0 2.2 1.0	!#A 173  4.15e+05
assign (resid 104 and name HN) (resid 105 and name HB) 4.0 2.2 1.0	!#A 544  1.70e+05
assign (resid 104 and name HD2#) (resid 105 and name HN) 4.0 2.2 1.7	!#A 177  2.12e+05
assign (resid 104 and name HN) (resid 105 and name HG1#) 4.0 2.2 1.5	!#A 411  2.29e+05
assign (resid 104 and name HA) (resid 105 and name HN) 3.0 1.2 0.5	!#A 125  5.30e+05
assign (resid 104 and name HN) (resid 105 and name HN) 2.5 0.7 0.4	!#A 124  1.54e+06

!V105
assign (resid 105 and name HG2#) (resid 105 and name HN) 4.0 2.2 1.5	!#A 175  2.39e+05
assign (resid 105 and name HG1#) (resid 105 and name HN) 2.5 0.7 0.7	!#A 128  2.39e+06
assign (resid 105 and name HB) (resid 105 and name HN) 2.5 0.7 0.4	!#A 127  1.60e+06
assign (resid 105 and name HA) (resid 105 and name HN) 2.5 0.7 0.4	!#A 126  1.44e+06

!EDIT_HISTORY
!	A(1591)  3dcc.in   Fri Sep 15 16:58:02 1995


!M1
assign (resid 1 and name HG#) (resid 1 and name HB#) 4.0 2.2 1.0	!#A 1491  2.98e+05
assign (resid 1 and name HA) (resid 1 and name HG#) 4.0 2.2 1.0	!#A 662  3.14e+05
assign (resid 1 and name HA) (resid 1 and name HB#) 4.0 2.2 1.0	!#A 661  4.07e+05
assign (resid 1 and name HA) (resid 2 and name HA) 4.0 2.2 1.0	!#A 998  -2.17e+05

!V2
assign (resid 2 and name HG1#) (resid 2 and name HB) 3.0 1.2 0.8	!#A 1856  -1.05e+06
assign (resid 2 and name HB) (resid 2 and name HA) 3.0 1.2 0.5	!#A 1316  6.10e+05
assign (resid 2 and name HB) (resid 2 and name HG2#) 2.5 0.7 0.7	!#A 1315  2.02e+06
assign (resid 2 and name HA) (resid 2 and name HG2#) 2.5 0.7 0.7	!#A 808  1.61e+06
assign (resid 2 and name HA) (resid 2 and name HG1#) 2.5 0.7 0.7	!#A 807  1.49e+06
assign (resid 2 and name HG1#) (resid 3 and name HA) 4.0 2.2 1.5	!#A 2635  2.17e+05
assign (resid 2 and name HA) (resid 3 and name HB1) 4.0 2.2 1.0	!#A 1141  1.83e+05
assign (resid 2 and name HG1#) (resid 42 and name HD2) 3.0 1.2 1.5	!#A 23  6.71e+05
assign (resid 2 and name HG2#) (resid 43 and name HA) 3.0 1.2 0.8	!#A 2700  6.71e+05
assign (resid 2 and name HG1#) (resid 43 and name HA) 4.0 2.2 1.5	!#A 2633  2.82e+05
assign (resid 2 and name HG2#) (resid 43 and name HD2) 4.0 2.2 1.5	!#A 386  6.01e+05
assign (resid 2 and name HB) (resid 43 and name HE1) 4.0 2.2 1.0	!#A 149  -1.97e+05
assign (resid 2 and name HG1#) (resid 43 and name HE1) 4.0 2.2 1.5	!#A 1855  1.60e+05
assign (resid 2 and name HG2#) (resid 43 and name HB#) 4.0 2.2 1.5	!#A 1910  1.59e+05
assign (resid 2 and name HG2#) (resid 46 and name HA) 3.0 1.2 1.3	!#A 892  6.18e+05
assign (resid 2 and name HG2#) (resid 54 and name HB1) 4.0 2.2 1.5	!#A 2699  -1.56e+05
assign (resid 2 and name HG1#) (resid 54 and name HB2) 4.0 2.2 1.5	!#A 1410  2.82e+05
assign (resid 2 and name HG2#) (resid 54 and name HB2) 3.0 1.2 0.8	!#A 1390  6.82e+05
assign (resid 2 and name HA) (resid 54 and name HB2) 4.0 2.2 1.0	!#A 809  -2.01e+05
assign (resid 2 and name HG2#) (resid 54 and name HD1) 4.0 2.2 1.5	!#A 1911  -1.58e+05
assign (resid 2 and name HG1#) (resid 55 and name HA) 4.0 2.2 1.5	!#A 571  3.92e+05
assign (resid 2 and name HG1#) (resid 56 and name HG1) 4.0 2.2 1.5	!#A 1794  2.89e+05
assign (resid 2 and name HG1#) (resid 56 and name HB#) 3.0 1.2 1.2	!#A 2636  -1.11e+06
assign (resid 2 and name HG1#) (resid 56 and name HA) 4.0 2.2 1.5	!#A 1854  1.53e+05

!K3
assign (resid 3 and name HG#) (resid 3 and name HA) 4.0 2.2 1.0	!#A 1571  4.24e+05
assign (resid 3 and name HB1) (resid 3 and name HA) 3.0 1.2 0.5	!#A 1357  9.59e+05
assign (resid 3 and name HA) (resid 3 and name HD#) 4.0 2.2 1.0	!#A 416  4.66e+05
assign (resid 3 and name HE#) (resid 3 and name HG#) 4.0 2.2 1.0	!#A 1338  4.09e+05
assign (resid 3 and name HE#) (resid 3 and name HG#) 3.0 1.2 0.5	!#A 1337  7.77e+05
assign (resid 3 and name HB1) (resid 3 and name HE#) 4.0 2.2 1.0	!#A 2023  -1.99e+05
assign (resid 3 and name HB2) (resid 3 and name HE#) 4.0 2.2 1.0	!#A 2038  -4.01e+05
assign (resid 3 and name HD2) (resid 3 and name HB2) 3.0 1.2 0.5	!#A 1421  -7.08e+05
assign (resid 3 and name HA) (resid 3 and name HB2) 3.0 1.2 0.5	!#A 440  -6.95e+05
assign (resid 3 and name HA) (resid 3 and name HG#) 4.0 2.2 1.0	!#A 437  3.70e+05
assign (resid 3 and name HA) (resid 3 and name HD#) 4.0 2.2 1.0	!#A 435  4.97e+05
assign (resid 3 and name HB2) (resid 3 and name HD#) 2.5 0.7 0.4	!#A 1360  6.92e+07
assign (resid 3 and name HG#) (resid 4 and name HG#) 4.0 2.2 2.0	!#A 1672  -1.64e+05
assign (resid 3 and name HA) (resid 4 and name HG#) 4.0 2.2 2.3	!#A 438  -1.51e+05
assign (resid 3 and name HG1) (resid 5 and name HA) 4.0 2.2 1.0	!#A 853  1.75e+05
assign (resid 3 and name HE#) (resid 5 and name HD1#) 4.0 2.2 1.5	!#A 2710  -4.28e+05
assign (resid 3 and name HG#) (resid 5 and name HG1#) 4.0 2.2 1.0	!#A 2329  3.03e+05
assign (resid 3 and name HG#) (resid 5 and name HD1#) 4.0 2.2 1.5	!#A 1935  2.35e+05
assign (resid 3 and name HG#) (resid 5 and name HD1#) 4.0 2.2 1.5	!#A 1934  1.94e+05
assign (resid 3 and name HD#) (resid 5 and name HD1#) 4.0 2.2 1.5	!#A 1931  4.73e+05
assign (resid 3 and name HB1) (resid 5 and name HD1#) 4.0 2.2 1.5	!#A 1355  2.28e+05
assign (resid 3 and name HD#) (resid 5 and name HD1#) 4.0 2.2 1.5	!#A 1372  -1.66e+05
assign (resid 3 and name HG#) (resid 10 and name HB#) 3.0 1.2 2.1	!#A 2334  6.86e+05
assign (resid 3 and name HD#) (resid 14 and name HB#) 4.0 2.2 1.5	!#A 1590  4.88e+05
assign (resid 3 and name HE#) (resid 14 and name HB#) 4.0 2.2 1.5	!#A 1316  2.45e+05
assign (resid 3 and name HG#) (resid 14 and name HB#) 2.5 0.7 0.7	!#A 1595  1.27e+07
assign (resid 3 and name HD#) (resid 14 and name HB#) 4.0 2.2 1.5	!#A 1591  4.11e+05
assign (resid 3 and name HD#) (resid 53 and name HG2#) 4.0 2.2 1.5	!#A 1373  2.28e+05
assign (resid 3 and name HB1) (resid 53 and name HG2#) 3.0 1.2 1.3	!#A 1356  1.78e+06
assign (resid 3 and name HB1) (resid 55 and name HD1#) 2.5 0.7 0.7	!#A 1339  1.43e+06
assign (resid 3 and name HB2) (resid 55 and name HA) 4.0 2.2 1.0	!#A 575  -1.81e+05
assign (resid 3 and name HB1) (resid 55 and name HG) 4.0 2.2 1.0	!#A 2238  -3.17e+05
assign (resid 3 and name HD#) (resid 55 and name HD2#) 4.0 2.2 1.5	!#A 2755  -2.05e+05
assign (resid 3 and name HG#) (resid 55 and name HD2#) 4.0 2.2 1.5	!#A 2330  2.54e+05
assign (resid 3 and name HB2) (resid 55 and name HD1#) 3.0 1.2 1.2	!#A 2616  -7.42e+05
assign (resid 3 and name HG#) (resid 55 and name HD1#) 4.0 2.2 1.5	!#A 2601  3.11e+05
assign (resid 3 and name HB1) (resid 55 and name HA) 4.0 2.2 1.0	!#A 249  -1.42e+05

!Q4
assign (resid 4 and name HG#) (resid 4 and name HA) 4.0 2.2 1.0	!#A 1145  5.24e+05
assign (resid 4 and name HA) (resid 4 and name HB#) 3.0 1.2 0.5	!#A 374  8.08e+05
assign (resid 4 and name HG#) (resid 5 and name HA) 4.0 2.2 1.0	!#A 1157  1.51e+05
assign (resid 4 and name HG#) (resid 5 and name HG1#) 4.0 2.2 2.0	!#A 1716  -1.65e+05
assign (resid 4 and name HG#) (resid 6 and name HA) 4.0 2.2 1.0	!#A 777  -1.51e+05
assign (resid 4 and name HG#) (resid 6 and name HB2) 4.0 2.2 1.0	!#A 1671  1.77e+05
assign (resid 4 and name HG#) (resid 6 and name HB1) 4.0 2.2 1.0	!#A 1284  -2.01e+06
assign (resid 4 and name HA) (resid 55 and name HB1) 4.0 2.2 1.0	!#A 375  1.65e+05
assign (resid 4 and name HG#) (resid 56 and name HB#) 4.0 2.2 1.0	!#A 1146  1.80e+05
assign (resid 4 and name HG#) (resid 56 and name HG#) 4.0 2.2 1.0	!#A 1624  -1.92e+05
assign (resid 4 and name HA) (resid 56 and name HB#) 4.0 2.2 1.0	!#A 1351  4.62e+05
assign (resid 4 and name HA) (resid 56 and name HG#) 4.0 2.2 1.0	!#A 377  -2.00e+05
assign (resid 4 and name HG#) (resid 57 and name HA) 4.0 2.2 2.0	!#A 641  -1.47e+05

!I5
assign (resid 5 and name HG1#) (resid 5 and name HA) 3.0 1.2 0.8	!#A 1436  9.73e+05
assign (resid 5 and name HG2#) (resid 5 and name HA) 3.0 1.2 0.8	!#A 1817  7.28e+05
assign (resid 5 and name HB) (resid 5 and name HA) 4.0 2.2 1.0	!#A 1261  3.35e+05
assign (resid 5 and name HG1#) (resid 5 and name HG2#) 2.5 0.7 0.7	!#A 1435  2.41e+06
assign (resid 5 and name HG2#) (resid 5 and name HD1#) 2.5 0.7 0.7	!#A 1806  -3.28e+06
assign (resid 5 and name HG1#) (resid 5 and name HD1#) 3.0 1.2 0.8	!#A 1709  -1.28e+06
assign (resid 5 and name HB) (resid 5 and name HD1#) 3.0 1.2 0.8	!#A 1256  -8.45e+05
assign (resid 5 and name HA) (resid 5 and name HD1#) 2.5 0.7 0.7	!#A 515  -1.99e+06
assign (resid 5 and name HG2#) (resid 6 and name HA) 4.0 2.2 1.5	!#A 1818  2.02e+05
assign (resid 5 and name HA) (resid 6 and name HG#) 4.0 2.2 1.0	!#A 521  -1.74e+05
assign (resid 5 and name HG2#) (resid 8 and name HA) 4.0 2.2 1.5	!#A 1813  1.85e+05
assign (resid 5 and name HA) (resid 10 and name HB#) 3.0 1.2 0.8	!#A 517  7.19e+05
assign (resid 5 and name HG2#) (resid 10 and name HA) 4.0 2.2 1.5	!#A 575  2.26e+05
assign (resid 5 and name HD1#) (resid 10 and name HB#) 3.0 1.2 0.8	!#A 1936  1.83e+06
assign (resid 5 and name HG2#) (resid 10 and name HB#) 2.5 0.7 1.2	!#A 1811  2.10e+06
assign (resid 5 and name HG1#) (resid 10 and name HB#) 4.0 2.2 1.5	!#A 1713  2.12e+05
assign (resid 5 and name HB) (resid 10 and name HB#) 4.0 2.2 1.5	!#A 1260  6.28e+05
assign (resid 5 and name HD1#) (resid 11 and name HA) 3.0 1.2 0.8	!#A 602  -1.03e+06
assign (resid 5 and name HG1#) (resid 11 and name HD#) 4.0 2.2 1.0	!#A 435  2.04e+05
assign (resid 5 and name HG2#) (resid 11 and name HB2) 3.0 1.2 0.8	!#A 966  1.03e+06
assign (resid 5 and name HG2#) (resid 11 and name HB1) 3.0 1.2 1.1	!#A 886  7.60e+05
assign (resid 5 and name HG2#) (resid 11 and name HD#) 3.0 1.2 0.8	!#A 124  8.45e+05
assign (resid 5 and name HG2#) (resid 11 and name HA) 3.0 1.2 0.8	!#A 1812  8.23e+05
assign (resid 5 and name HA) (resid 11 and name HA) 4.0 2.2 1.0	!#A 518  1.65e+05
assign (resid 5 and name HD1#) (resid 11 and name HD#) 4.0 2.2 1.5	!#A 119  -3.10e+05
assign (resid 5 and name HG1#) (resid 14 and name HB#) 4.0 2.2 1.0	!#A 1419  2.13e+05
assign (resid 5 and name HD1#) (resid 14 and name HB#) 2.5 0.7 1.2	!#A 1569  -2.16e+06
assign (resid 5 and name HG2#) (resid 14 and name HB#) 4.0 2.2 1.3	!#A 2605  2.45e+06
assign (resid 5 and name HA) (resid 14 and name HB#) 4.0 2.2 1.5	!#A 854  2.48e+05
assign (resid 5 and name HD1#) (resid 14 and name HA) 4.0 2.2 1.5	!#A 1942  1.91e+05
assign (resid 5 and name HG1#) (resid 14 and name HB#) 4.0 2.2 1.5	!#A 1714  4.13e+05
assign (resid 5 and name HG1#) (resid 55 and name HD1#) 4.0 2.2 1.5	!#A 2510  2.79e+05
assign (resid 5 and name HG1#) (resid 55 and name HG) 4.0 2.2 1.0	!#A 2228  2.23e+05
assign (resid 5 and name HD1#) (resid 55 and name HG) 4.0 2.2 1.5	!#A 2227  -3.61e+05
assign (resid 5 and name HD1#) (resid 55 and name HD1#) 4.0 2.2 2.3	!#A 2652  -3.28e+05
assign (resid 5 and name HG2#) (resid 55 and name HD2#) 4.0 2.2 2.0	!#A 2021  4.80e+05
assign (resid 5 and name HG1#) (resid 55 and name HB1) 3.0 1.2 0.5	!#A 1433  1.38e+06
assign (resid 5 and name HG1#) (resid 55 and name HB2) 4.0 2.2 1.5	!#A 1711  2.06e+05
assign (resid 5 and name HG1#) (resid 55 and name HD2#) 4.0 2.2 1.5	!#A 2012  2.42e+05
assign (resid 5 and name HG1#) (resid 55 and name HB2) 3.0 1.2 1.0	!#A 1395  1.83e+06
assign (resid 5 and name HG1#) (resid 55 and name HB1) 4.0 2.2 1.0	!#A 1626  -1.63e+05
assign (resid 5 and name HD1#) (resid 55 and name HD2#) 2.5 0.7 1.5	!#A 2009  -2.59e+06
assign (resid 5 and name HG2#) (resid 57 and name HG1#) 3.0 1.2 1.8	!#A 2753  7.80e+05
assign (resid 5 and name HG2#) (resid 57 and name HA) 4.0 2.2 1.5	!#A 2604  1.99e+05
assign (resid 5 and name HB) (resid 57 and name HG2#) 4.0 2.2 1.5	!#A 2121  -5.24e+05
assign (resid 5 and name HA) (resid 57 and name HG2#) 4.0 2.2 1.7	!#A 2120  -1.45e+05
assign (resid 5 and name HG1#) (resid 57 and name HA) 4.0 2.2 1.0	!#A 1434  -1.80e+05
assign (resid 5 and name HG2#) (resid 57 and name HG2#) 3.0 1.2 1.3	!#A 1810  1.19e+06
assign (resid 5 and name HD1#) (resid 57 and name HG2#) 4.0 2.2 2.0	!#A 2113  -3.16e+05
assign (resid 5 and name HG2#) (resid 62 and name HB#) 4.0 2.2 2.0	!#A 1667  2.09e+05
assign (resid 5 and name HG2#) (resid 65 and name HG1#) 4.0 2.2 2.0	!#A 2054  5.48e+05

!E6
assign (resid 6 and name HA) (resid 6 and name HG#) 3.0 1.2 0.5	!#A 433  -1.05e+06
assign (resid 6 and name HA) (resid 6 and name HB1) 4.0 2.2 1.0	!#A 429  5.78e+05
assign (resid 6 and name HA) (resid 6 and name HB2) 3.0 1.2 0.5	!#A 428  7.06e+05
assign (resid 6 and name HB2) (resid 7 and name HB1) 4.0 2.2 1.0	!#A 1151  1.76e+05
assign (resid 6 and name HA) (resid 7 and name HA) 4.0 2.2 1.0	!#A 432  1.76e+05
assign (resid 6 and name HB1) (resid 7 and name HA) 4.0 2.2 1.3	!#A 290  -1.51e+05
assign (resid 6 and name HB2) (resid 10 and name HB#) 4.0 2.2 1.5	!#A 1641  4.41e+05
assign (resid 6 and name HA) (resid 10 and name HB#) 4.0 2.2 1.8	!#A 1456  -1.93e+05
assign (resid 6 and name HG#) (resid 10 and name HB#) 4.0 2.2 1.5	!#A 1156  4.41e+05
assign (resid 6 and name HB1) (resid 61 and name HB2) 4.0 2.2 1.0	!#A 1378  -2.00e+05
assign (resid 6 and name HA) (resid 62 and name HB#) 3.0 1.2 0.8	!#A 431  1.13e+06
assign (resid 6 and name HA) (resid 62 and name HA) 4.0 2.2 1.0	!#A 430  -2.05e+05

!S7
assign (resid 7 and name HA) (resid 7 and name HB1) 3.0 1.2 0.5	!#A 292  8.61e+05
assign (resid 7 and name HA) (resid 7 and name HB2) 3.0 1.2 0.5	!#A 291  1.04e+06
assign (resid 7 and name HB2) (resid 9 and name HA) 4.0 2.2 1.0	!#A 881  1.60e+05
assign (resid 7 and name HB2) (resid 9 and name HB) 4.0 2.2 1.0	!#A 880  2.38e+05
assign (resid 7 and name HB2) (resid 9 and name HG2#) 4.0 2.2 1.5	!#A 544  2.65e+05
assign (resid 7 and name HB2) (resid 10 and name HB#) 4.0 2.2 1.5	!#A 517  1.49e+05
assign (resid 7 and name HB1) (resid 10 and name HB#) 4.0 2.2 1.5	!#A 1452  1.54e+05
assign (resid 7 and name HA) (resid 62 and name HB#) 3.0 1.2 0.8	!#A 293  2.61e+06
assign (resid 7 and name HA) (resid 65 and name HG2#) 4.0 2.2 1.5	!#A 287  2.16e+05
assign (resid 7 and name HB1) (resid 65 and name HG2#) 4.0 2.2 1.5	!#A 1949  1.44e+05

!K8
assign (resid 8 and name HG#) (resid 8 and name HA) 4.0 2.2 1.0	!#A 1487  3.64e+05
assign (resid 8 and name HE#) (resid 8 and name HG#) 3.0 1.2 0.5	!#A 969  6.88e+05
assign (resid 8 and name HB1) (resid 8 and name HE#) 4.0 2.2 1.0	!#A 1331  2.54e+05
assign (resid 8 and name HE#) (resid 8 and name HG1) 4.0 2.2 1.0	!#A 974  5.54e+05
assign (resid 8 and name HD#) (resid 8 and name HB2) 3.0 1.2 0.5	!#A 1384  1.25e+06
assign (resid 8 and name HE#) (resid 8 and name HB2) 4.0 2.2 1.0	!#A 973  3.52e+05
assign (resid 8 and name HA) (resid 8 and name HB2) 3.0 1.2 0.5	!#A 689  8.49e+05
assign (resid 8 and name HB1) (resid 9 and name HA) 4.0 2.2 1.0	!#A 1975  2.32e+05
assign (resid 8 and name HA) (resid 9 and name HA) 4.0 2.2 1.0	!#A 690  1.56e+05
assign (resid 8 and name HB2) (resid 11 and name HB2) 4.0 2.2 1.0	!#A 1335  2.00e+05
assign (resid 8 and name HG1) (resid 11 and name HB2) 4.0 2.2 1.0	!#A 2206  1.89e+05
assign (resid 8 and name HA) (resid 11 and name HD#) 4.0 2.2 1.0	!#A 446  2.11e+05
assign (resid 8 and name HA) (resid 11 and name HB2) 4.0 2.2 1.0	!#A 694  -1.97e+05
assign (resid 8 and name HA) (resid 11 and name HB1) 4.0 2.2 1.0	!#A 884  4.98e+05
assign (resid 8 and name HB1) (resid 11 and name HB1) 4.0 2.2 1.0	!#A 877  -1.74e+05
assign (resid 8 and name HB2) (resid 11 and name HB1) 4.0 2.2 1.0	!#A 878  -1.76e+05
assign (resid 8 and name HG#) (resid 12 and name HG#) 4.0 2.2 1.0	!#A 1489  -1.88e+05
assign (resid 8 and name HA) (resid 12 and name HG#) 4.0 2.2 1.0	!#A 1030  -3.17e+05
assign (resid 8 and name HB1) (resid 12 and name HG#) 2.5 0.7 1.8	!#A 1336  -2.41e+06
assign (resid 8 and name HE#) (resid 12 and name HG#) 4.0 2.2 1.0	!#A 1102  2.00e+05
assign (resid 8 and name HG#) (resid 12 and name HG#) 4.0 2.2 1.0	!#A 1099  -1.68e+05
assign (resid 8 and name HB2) (resid 64 and name HB2) 4.0 2.2 1.0	!#A 1042  -3.27e+05
assign (resid 8 and name HB2) (resid 64 and name HA) 4.0 2.2 1.0	!#A 2008  -2.49e+05
assign (resid 8 and name HE#) (resid 64 and name HB2) 3.0 1.2 0.8	!#A 1047  9.09e+05
assign (resid 8 and name HG#) (resid 64 and name HB2) 4.0 2.2 1.0	!#A 1044  -1.56e+05
assign (resid 8 and name HD#) (resid 64 and name HB2) 4.0 2.2 1.0	!#A 1043  -2.52e+05
assign (resid 8 and name HB1) (resid 64 and name HB2) 4.0 2.2 1.0	!#A 1041  -3.04e+05
assign (resid 8 and name HB2) (resid 65 and name HA) 4.0 2.2 1.0	!#A 1198  -2.78e+05
assign (resid 8 and name HA) (resid 65 and name HG2#) 3.0 1.2 0.8	!#A 1952  1.26e+06
assign (resid 8 and name HA) (resid 65 and name HA) 4.0 2.2 1.0	!#A 868  1.59e+05
assign (resid 8 and name HE#) (resid 65 and name HA) 4.0 2.2 1.0	!#A 867  2.76e+05
assign (resid 8 and name HA) (resid 65 and name HG1#) 4.0 2.2 1.5	!#A 691  2.74e+05
assign (resid 8 and name HG#) (resid 65 and name HA) 4.0 2.2 1.0	!#A 863  1.47e+05
assign (resid 8 and name HG#) (resid 65 and name HG2#) 4.0 2.2 1.5	!#A 1948  4.25e+05
assign (resid 8 and name HD#) (resid 65 and name HG2#) 4.0 2.2 1.5	!#A 1945  2.79e+05
assign (resid 8 and name HD#) (resid 65 and name HA) 4.0 2.2 1.0	!#A 861  -2.07e+05
assign (resid 8 and name HB2) (resid 65 and name HG2#) 4.0 2.2 1.5	!#A 1944  3.23e+05
assign (resid 8 and name HE#) (resid 68 and name HB#) 4.0 2.2 1.0	!#A 1217  -3.99e+05
assign (resid 8 and name HG#) (resid 68 and name HB#) 4.0 2.2 1.0	!#A 1484  1.50e+05
assign (resid 8 and name HD#) (resid 68 and name HG#) 4.0 2.2 1.0	!#A 1079  -2.45e+05

!T9
assign (resid 9 and name HA) (resid 9 and name HB) 2.5 0.7 0.5	!#A 989  1.99e+06
assign (resid 9 and name HG2#) (resid 9 and name HA) 2.5 0.7 0.7	!#A 1640  2.41e+06
assign (resid 9 and name HB) (resid 10 and name HA) 4.0 2.2 1.0	!#A 910  3.29e+05
assign (resid 9 and name HB) (resid 10 and name HB#) 4.0 2.2 1.5	!#A 966  5.33e+05
assign (resid 9 and name HG2#) (resid 10 and name HB#) 4.0 2.2 2.0	!#A 1453  4.20e+05
assign (resid 9 and name HG2#) (resid 10 and name HA) 3.0 1.2 1.0	!#A 573  8.84e+05
assign (resid 9 and name HA) (resid 10 and name HA) 4.0 2.2 1.0	!#A 572  3.06e+05
assign (resid 9 and name HA) (resid 12 and name HG#) 4.0 2.2 1.0	!#A 1100  2.37e+05
assign (resid 9 and name HG2#) (resid 12 and name HG#) 4.0 2.2 1.5	!#A 1644  1.84e+05
assign (resid 9 and name HA) (resid 12 and name HB#) 4.0 2.2 1.0	!#A 651  5.97e+05
assign (resid 9 and name HG2#) (resid 13 and name HG1) 4.0 2.2 1.5	!#A 1642  -2.63e+05

!A10
assign (resid 10 and name HA) (resid 10 and name HB#) 2.5 0.7 0.7	!#A 574  5.17e+06
assign (resid 10 and name HB#) (resid 11 and name HB2) 4.0 2.2 1.5	!#A 963  1.82e+05
assign (resid 10 and name HB#) (resid 11 and name HB1) 4.0 2.2 1.8	!#A 882  -2.35e+05
assign (resid 10 and name HB#) (resid 11 and name HA) 4.0 2.2 1.5	!#A 605  4.82e+05
assign (resid 10 and name HA) (resid 12 and name HG#) 4.0 2.2 1.5	!#A 1104  -2.36e+05
assign (resid 10 and name HA) (resid 13 and name HA) 4.0 2.2 1.2	!#A 956  3.59e+05
assign (resid 10 and name HA) (resid 13 and name HG#) 4.0 2.2 1.0	!#A 1092  1.54e+05
assign (resid 10 and name HA) (resid 13 and name HG#) 4.0 2.2 1.0	!#A 577  -1.75e+05
assign (resid 10 and name HA) (resid 13 and name HB1) 3.0 1.2 0.7	!#A 571  7.41e+05
assign (resid 10 and name HA) (resid 13 and name HB2) 3.0 1.2 0.5	!#A 570  6.92e+05
assign (resid 10 and name HB#) (resid 13 and name HB2) 4.0 2.2 1.5	!#A 1450  2.35e+05

!F11
assign (resid 11 and name HD#) (resid 11 and name HB2) 4.0 2.2 1.0	!#A 118  -1.98e+05
assign (resid 11 and name HD#) (resid 11 and name HA) 4.0 2.2 1.0	!#A 116  5.30e+05
assign (resid 11 and name HB1) (resid 11 and name HD#) 4.0 2.2 1.0	!#A 879  -2.57e+05
assign (resid 11 and name HB2) (resid 11 and name HD#) 4.0 2.2 1.0	!#A 961  -1.79e+05
assign (resid 11 and name HB2) (resid 11 and name HA) 4.0 2.2 1.0	!#A 964  4.76e+05
assign (resid 11 and name HB1) (resid 11 and name HA) 4.0 2.2 1.0	!#A 883  4.74e+05
assign (resid 11 and name HD#) (resid 12 and name HA) 4.0 2.2 1.0	!#A 448  2.06e+05
assign (resid 11 and name HD#) (resid 14 and name HB#) 4.0 2.2 1.5	!#A 452  3.40e+05
assign (resid 11 and name HB1) (resid 14 and name HB#) 4.0 2.2 1.9	!#A 885  1.73e+05
assign (resid 11 and name HA) (resid 14 and name HB#) 4.0 2.2 1.5	!#A 1597  4.65e+05
assign (resid 11 and name HD#) (resid 15 and name HD1#) 3.0 1.2 0.8	!#A 115  7.90e+05
assign (resid 11 and name HD#) (resid 15 and name HD2#) 4.0 2.2 1.3	!#A 445  6.16e+05
assign (resid 11 and name HD#) (resid 15 and name HD2#) 4.0 2.2 1.5	!#A 121  2.16e+05
assign (resid 11 and name HD#) (resid 25 and name HG2#) 4.0 2.2 1.5	!#A 449  4.70e+05
assign (resid 11 and name HD#) (resid 25 and name HG1#) 4.0 2.2 1.5	!#A 122  1.77e+05
assign (resid 11 and name HA) (resid 55 and name HD2#) 4.0 2.2 1.5	!#A 2019  1.48e+05
assign (resid 11 and name HD#) (resid 55 and name HD2#) 4.0 2.2 1.5	!#A 2010  -2.80e+05
assign (resid 11 and name HD#) (resid 57 and name HG1#) 4.0 2.2 1.5	!#A 450  3.53e+05
assign (resid 11 and name HD#) (resid 57 and name HG2#) 4.0 2.2 1.5	!#A 123  3.11e+05
assign (resid 11 and name HD#) (resid 65 and name HG1#) 3.0 1.2 0.8	!#A 440  9.71e+05
assign (resid 11 and name HB2) (resid 65 and name HG1#) 4.0 2.2 1.5	!#A 2055  -1.60e+05
assign (resid 11 and name HA) (resid 65 and name HG1#) 4.0 2.2 1.5	!#A 604  -1.80e+05
assign (resid 11 and name HB2) (resid 65 and name HG2#) 4.0 2.2 1.5	!#A 962  2.50e+05
assign (resid 11 and name HB1) (resid 65 and name HG2#) 4.0 2.2 1.5	!#A 880  2.14e+05

!Q12
assign (resid 12 and name HA) (resid 12 and name HG#) 4.0 2.2 1.0	!#A 854  -4.73e+05
assign (resid 12 and name HA) (resid 12 and name HB#) 3.0 1.2 0.5	!#A 848  8.36e+05
assign (resid 12 and name HA) (resid 13 and name HA) 4.0 2.2 1.0	!#A 1013  1.76e+05
assign (resid 12 and name HB#) (resid 15 and name HD1#) 4.0 2.2 1.5	!#A 1737  1.84e+05
assign (resid 12 and name HG#) (resid 15 and name HD1#) 4.0 2.2 1.5	!#A 2172  -1.86e+05
assign (resid 12 and name HA) (resid 15 and name HA) 4.0 2.2 1.5	!#A 803  1.59e+05
assign (resid 12 and name HG#) (resid 15 and name HB2) 4.0 2.2 2.0	!#A 1130  -1.47e+05
assign (resid 12 and name HA) (resid 15 and name HB2) 4.0 2.2 1.0	!#A 851  -2.17e+05
assign (resid 12 and name HA) (resid 15 and name HB1) 4.0 2.2 1.0	!#A 852  -1.82e+05
assign (resid 12 and name HA) (resid 15 and name HD1#) 3.0 1.2 0.8	!#A 850  9.64e+05
assign (resid 12 and name HA) (resid 15 and name HG) 4.0 2.2 1.0	!#A 849  2.43e+05

!E13
assign (resid 13 and name HB2) (resid 13 and name HA) 3.0 1.2 0.5	!#A 1241  1.01e+06
assign (resid 13 and name HG#) (resid 13 and name HA) 3.0 1.2 0.7	!#A 1091  6.03e+05
assign (resid 13 and name HA) (resid 13 and name HB1) 3.0 1.2 0.5	!#A 674  1.10e+06
assign (resid 13 and name HB1) (resid 14 and name HA) 4.0 2.2 1.0	!#A 1288  2.18e+05
assign (resid 13 and name HA) (resid 14 and name HB#) 4.0 2.2 2.0	!#A 1599  -1.54e+05
assign (resid 13 and name HA) (resid 15 and name HB2) 4.0 2.2 1.2	!#A 2126  -1.97e+05
assign (resid 13 and name HA) (resid 16 and name HA) 4.0 2.2 1.3	!#A 849  2.22e+05
assign (resid 13 and name HG#) (resid 16 and name HB#) 4.0 2.2 1.0	!#A 1183  -1.45e+05
assign (resid 13 and name HA) (resid 16 and name HB#) 4.0 2.2 1.0	!#A 675  -5.05e+05
assign (resid 13 and name HB1) (resid 16 and name HB#) 4.0 2.2 1.0	!#A 1031  -2.19e+05
assign (resid 13 and name HB1) (resid 17 and name HB#) 4.0 2.2 1.5	!#A 1515  1.72e+05

!A14
assign (resid 14 and name HB#) (resid 15 and name HA) 4.0 2.2 1.5	!#A 1127  2.25e+05
assign (resid 14 and name HB#) (resid 15 and name HD2#) 4.0 2.2 2.0	!#A 2153  2.96e+05
assign (resid 14 and name HB#) (resid 15 and name HG) 4.0 2.2 1.5	!#A 1593  2.37e+05
assign (resid 14 and name HA) (resid 17 and name HB#) 2.5 0.7 0.7	!#A 1517  1.55e+06
assign (resid 14 and name HB#) (resid 23 and name HG1#) 4.0 2.2 2.0	!#A 1532  3.83e+05
assign (resid 14 and name HB#) (resid 55 and name HB2) 4.0 2.2 1.5	!#A 2370  2.63e+05
assign (resid 14 and name HA) (resid 55 and name HD2#) 4.0 2.2 1.5	!#A 2022  1.62e+05
assign (resid 14 and name HB#) (resid 55 and name HD1#) 3.0 1.2 1.6	!#A 1879  2.45e+06
assign (resid 14 and name HB#) (resid 55 and name HD2#) 2.5 0.7 1.2	!#A 1594  2.54e+06

!L15
assign (resid 15 and name HD1#) (resid 15 and name HA) 4.0 2.2 1.5	!#A 2171  4.05e+05
assign (resid 15 and name HD1#) (resid 15 and name HB1) 3.0 1.2 0.8	!#A 2169  -6.20e+05
assign (resid 15 and name HD2#) (resid 15 and name HB1) 4.0 2.2 1.5	!#A 2152  -5.31e+05
assign (resid 15 and name HD2#) (resid 15 and name HB2) 4.0 2.2 1.5	!#A 2151  -3.60e+05
assign (resid 15 and name HA) (resid 15 and name HB2) 4.0 2.2 1.0	!#A 800  -3.21e+05
assign (resid 15 and name HD2#) (resid 15 and name HD1#) 2.5 0.7 1.2	!#A 2145  6.26e+06
assign (resid 15 and name HB2) (resid 15 and name HD1#) 2.5 0.7 0.7	!#A 1422  1.63e+06
assign (resid 15 and name HA) (resid 15 and name HG) 4.0 2.2 1.0	!#A 794  3.94e+05
assign (resid 15 and name HB1) (resid 16 and name HA) 4.0 2.2 1.0	!#A 1743  1.42e+05
assign (resid 15 and name HA) (resid 16 and name HB#) 4.0 2.2 2.0	!#A 1034  -1.66e+05
assign (resid 15 and name HB1) (resid 18 and name HB#) 4.0 2.2 1.5	!#A 2538  5.70e+05
assign (resid 15 and name HD2#) (resid 18 and name HB#) 4.0 2.2 2.0	!#A 2150  3.72e+05
assign (resid 15 and name HB2) (resid 18 and name HB#) 4.0 2.2 1.9	!#A 1424  7.09e+05
assign (resid 15 and name HA) (resid 18 and name HB#) 3.0 1.2 0.8	!#A 799  9.16e+05
assign (resid 15 and name HA) (resid 23 and name HG1#) 4.0 2.2 1.5	!#A 781  2.61e+05
assign (resid 15 and name HB1) (resid 23 and name HG1#) 4.0 2.2 1.7	!#A 2537  2.54e+05
assign (resid 15 and name HA) (resid 23 and name HG2#) 4.0 2.2 1.5	!#A 1861  5.24e+05
assign (resid 15 and name HD2#) (resid 23 and name HG1#) 3.0 1.2 1.3	!#A 2149  1.27e+06
assign (resid 15 and name HD2#) (resid 23 and name HG2#) 3.0 1.2 1.7	!#A 2148  1.40e+06
assign (resid 15 and name HD2#) (resid 23 and name HB) 4.0 2.2 1.5	!#A 1279  5.65e+05
assign (resid 15 and name HD2#) (resid 25 and name HG2#) 4.0 2.2 1.0	!#A 2620  2.57e+06
assign (resid 15 and name HD1#) (resid 55 and name HD2#) 4.0 2.2 2.0	!#A 2015  2.74e+05
assign (resid 15 and name HD2#) (resid 55 and name HD2#) 4.0 2.2 2.0	!#A 2144  2.53e+05
assign (resid 15 and name HA) (resid 55 and name HD2#) 4.0 2.2 1.5	!#A 795  -1.64e+05
assign (resid 15 and name HD2#) (resid 80 and name HD#) 4.0 2.2 1.5	!#A 2142  -2.50e+05
assign (resid 15 and name HA) (resid 80 and name HB1) 4.0 2.2 1.0	!#A 1125  1.56e+05
assign (resid 15 and name HG) (resid 80 and name HB1) 4.0 2.2 1.0	!#A 1469  -2.10e+05
assign (resid 15 and name HD2#) (resid 80 and name HA) 4.0 2.2 1.5	!#A 230  2.40e+05
assign (resid 15 and name HD2#) (resid 80 and name HB1) 4.0 2.2 1.5	!#A 2147  -1.62e+05
assign (resid 15 and name HD2#) (resid 80 and name HB2) 4.0 2.2 1.5	!#A 2146  -1.70e+05
assign (resid 15 and name HD1#) (resid 80 and name HE#) 4.0 2.2 1.5	!#A 33  2.27e+05
assign (resid 15 and name HD1#) (resid 80 and name HB1) 4.0 2.2 1.5	!#A 1050  1.56e+05
assign (resid 15 and name HB2) (resid 83 and name HA2) 4.0 2.2 1.0	!#A 2124  -1.96e+05
assign (resid 15 and name HD2#) (resid 83 and name HA2) 4.0 2.2 1.5	!#A 876  1.76e+05
assign (resid 15 and name HD2#) (resid 83 and name HA1) 4.0 2.2 1.5	!#A 580  2.34e+05
assign (resid 15 and name HB1) (resid 83 and name HA2) 4.0 2.2 1.0	!#A 1745  -2.37e+05
assign (resid 15 and name HB1) (resid 83 and name HA1) 4.0 2.2 1.0	!#A 1744  -1.91e+05
assign (resid 15 and name HD1#) (resid 83 and name HA1) 4.0 2.2 1.5	!#A 579  4.71e+05
assign (resid 15 and name HD1#) (resid 83 and name HA2) 4.0 2.2 1.5	!#A 2166  -2.02e+05

!D16
assign (resid 16 and name HA) (resid 16 and name HB#) 3.0 1.2 0.5	!#A 514  -9.32e+05
assign (resid 16 and name HB#) (resid 17 and name HA) 4.0 2.2 1.0	!#A 1445  -1.96e+05
assign (resid 16 and name HB#) (resid 17 and name HB#) 4.0 2.2 1.5	!#A 1032  3.29e+05
assign (resid 16 and name HA) (resid 17 and name HA) 4.0 2.2 1.0	!#A 512  -4.84e+05
assign (resid 16 and name HA) (resid 18 and name HB#) 4.0 2.2 1.5	!#A 513  3.00e+05
assign (resid 16 and name HA) (resid 82 and name HA) 4.0 2.2 1.5	!#A 670  1.89e+05

!A17
assign (resid 17 and name HB#) (resid 17 and name HA) 2.5 0.7 0.7	!#A 1514  -3.93e+06
assign (resid 17 and name HA) (resid 18 and name HA) 4.0 2.2 1.0	!#A 1045  -2.37e+05
assign (resid 17 and name HA) (resid 18 and name HB#) 4.0 2.2 2.0	!#A 1558  -3.84e+05

!A18
assign (resid 18 and name HA) (resid 18 and name HB#) 2.5 0.7 0.7	!#A 712  4.12e+06
assign (resid 18 and name HB#) (resid 21 and name HB#) 4.0 2.2 1.5	!#A 1542  -1.41e+05
assign (resid 18 and name HB#) (resid 21 and name HB2) 4.0 2.2 1.5	!#A 1311  3.16e+05
assign (resid 18 and name HA) (resid 21 and name HD#) 4.0 2.2 1.0	!#A 1406  -3.09e+05
assign (resid 18 and name HB#) (resid 23 and name HG2#) 2.5 0.7 1.2	!#A 1522  5.07e+06
assign (resid 18 and name HA) (resid 23 and name HG2#) 4.0 2.2 1.5	!#A 668  4.62e+05
assign (resid 18 and name HB#) (resid 23 and name HB) 4.0 2.2 1.5	!#A 2286  -2.62e+05
assign (resid 18 and name HB#) (resid 23 and name HG1#) 4.0 2.2 2.0	!#A 1985  4.99e+05
assign (resid 18 and name HB#) (resid 53 and name HD1#) 4.0 2.2 1.0	!#A 1568  5.00e+06
assign (resid 18 and name HA) (resid 53 and name HD1#) 2.5 0.7 1.3	!#A 714  2.69e+06
assign (resid 18 and name HB#) (resid 53 and name HG2#) 2.5 0.7 1.6	!#A 1565  1.77e+06
assign (resid 18 and name HA) (resid 53 and name HG2#) 4.0 2.2 1.5	!#A 713  1.96e+05
assign (resid 18 and name HB#) (resid 53 and name HB) 3.0 1.2 0.8	!#A 1564  -7.73e+05
assign (resid 18 and name HB#) (resid 53 and name HG1#) 4.0 2.2 1.5	!#A 1607  2.91e+05
assign (resid 18 and name HA) (resid 53 and name HG1#) 4.0 2.2 1.0	!#A 711  1.62e+05

!G19

!D20
assign (resid 20 and name HA) (resid 20 and name HB#) 2.5 0.7 0.4	!#A 404  -1.50e+06
assign (resid 20 and name HA) (resid 81 and name HG#) 4.0 2.2 1.0	!#A 1495  2.00e+05
assign (resid 20 and name HB#) (resid 82 and name HA) 4.0 2.2 1.2	!#A 1013  -2.10e+05
assign (resid 20 and name HA) (resid 82 and name HA) 4.0 2.2 1.0	!#A 405  1.86e+05
assign (resid 20 and name HA) (resid 82 and name HE#) 3.0 1.2 0.5	!#A 403  -6.04e+05
assign (resid 20 and name HB#) (resid 82 and name HG#) 4.0 2.2 1.0	!#A 1012  1.53e+05
assign (resid 20 and name HA) (resid 82 and name HG1) 4.0 2.2 1.0	!#A 402  4.41e+05

!K21
assign (resid 21 and name HD#) (resid 21 and name HB#) 3.0 1.2 0.5	!#A 1408  -1.13e+06
assign (resid 21 and name HB#) (resid 21 and name HA) 3.0 1.2 0.5	!#A 1313  1.25e+06
assign (resid 21 and name HB#) (resid 21 and name HE#) 3.0 1.2 0.5	!#A 1310  -9.86e+05
assign (resid 21 and name HB1) (resid 21 and name HD#) 2.5 0.7 0.8	!#A 1306  1.62e+06
assign (resid 21 and name HB2) (resid 21 and name HD#) 2.5 0.7 0.4	!#A 1306  1.62e+06
assign (resid 21 and name HE#) (resid 21 and name HG#) 4.0 2.2 1.0	!#A 1293  4.79e+05
assign (resid 21 and name HA) (resid 21 and name HG#) 4.0 2.2 1.0	!#A 868  5.20e+05
assign (resid 21 and name HA) (resid 21 and name HE#) 4.0 2.2 1.0	!#A 531  -6.19e+05
assign (resid 21 and name HA) (resid 22 and name HB2) 4.0 2.2 1.0	!#A 2264  2.55e+05
assign (resid 21 and name HA) (resid 23 and name HG2#) 4.0 2.2 1.8	!#A 871  2.48e+05
assign (resid 21 and name HD#) (resid 51 and name HA) 4.0 2.2 1.0	!#A 345  2.34e+05
assign (resid 21 and name HB1) (resid 52 and name HA) 4.0 2.2 1.0	!#A 1312  3.28e+05
assign (resid 21 and name HD#) (resid 52 and name HA) 4.0 2.2 2.0	!#A 458  1.82e+05
assign (resid 21 and name HB#) (resid 53 and name HG1#) 4.0 2.2 1.0	!#A 1308  4.79e+05
assign (resid 21 and name HD#) (resid 53 and name HG1#) 4.0 2.2 1.0	!#A 2100  2.85e+05
assign (resid 21 and name HD#) (resid 53 and name HG2#) 4.0 2.2 2.8	!#A 2092  4.20e+05
assign (resid 21 and name HE#) (resid 53 and name HD1#) 3.0 1.2 0.8	!#A 937  1.07e+06
assign (resid 21 and name HD#) (resid 53 and name HD1#) 3.0 1.2 0.8	!#A 1821  1.14e+06

!L22
assign (resid 22 and name HB2) (resid 22 and name HA) 3.0 1.2 0.5	!#A 1513  9.05e+05
assign (resid 22 and name HD2#) (resid 22 and name HA) 3.0 1.2 0.8	!#A 1736  8.95e+05
assign (resid 22 and name HB1) (resid 22 and name HA) 4.0 2.2 1.0	!#A 1325  2.73e+05
assign (resid 22 and name HD1#) (resid 22 and name HB1) 4.0 2.2 1.5	!#A 1845  -5.21e+05
assign (resid 22 and name HD2#) (resid 22 and name HB2) 4.0 2.2 1.5	!#A 1728  -4.46e+05
assign (resid 22 and name HD2#) (resid 22 and name HB1) 4.0 2.2 1.5	!#A 1727  -2.68e+05
assign (resid 22 and name HA) (resid 22 and name HG) 4.0 2.2 1.0	!#A 482  2.40e+05
assign (resid 22 and name HA) (resid 22 and name HD1#) 3.0 1.2 1.8	!#A 481  6.57e+05
assign (resid 22 and name HB2) (resid 22 and name HD1#) 3.0 1.2 0.8	!#A 1505  1.33e+06
assign (resid 22 and name HA) (resid 23 and name HG2#) 4.0 2.2 1.5	!#A 487  3.61e+05
assign (resid 22 and name HD2#) (resid 24 and name HG2#) 4.0 2.2 2.0	!#A 2764  -3.23e+05
assign (resid 22 and name HD2#) (resid 24 and name HB) 4.0 2.2 2.0	!#A 1737  1.57e+05
assign (resid 22 and name HD2#) (resid 24 and name HG1#) 4.0 2.2 2.2	!#A 1729  2.84e+05
assign (resid 22 and name HD1#) (resid 24 and name HG2#) 4.0 2.2 2.0	!#A 2025  -2.06e+05
assign (resid 22 and name HB2) (resid 52 and name HA) 4.0 2.2 1.0	!#A 1512  1.55e+05
assign (resid 22 and name HD1#) (resid 52 and name HG2#) 4.0 2.2 2.0	!#A 1843  2.83e+05
assign (resid 22 and name HD1#) (resid 52 and name HG1#) 3.0 1.2 1.3	!#A 2059  6.01e+05
assign (resid 22 and name HB2) (resid 52 and name HG1#) 4.0 2.2 1.5	!#A 2085  -2.13e+05
assign (resid 22 and name HD2#) (resid 52 and name HG1#) 4.0 2.2 2.0	!#A 1726  4.07e+05
assign (resid 22 and name HB1) (resid 52 and name HG1#) 4.0 2.2 1.5	!#A 1323  3.17e+05
assign (resid 22 and name HB1) (resid 52 and name HG2#) 3.0 1.2 0.8	!#A 1322  6.57e+05
assign (resid 22 and name HB2) (resid 52 and name HG2#) 3.0 1.2 0.8	!#A 1508  7.57e+05
assign (resid 22 and name HD2#) (resid 79 and name HB2) 4.0 2.2 1.5	!#A 1085  4.81e+05
assign (resid 22 and name HD2#) (resid 79 and name HB1) 3.0 1.2 0.8	!#A 1059  6.82e+05
assign (resid 22 and name HD2#) (resid 79 and name HA) 4.0 2.2 1.5	!#A 237  4.49e+05
assign (resid 22 and name HD2#) (resid 79 and name HE#) 4.0 2.2 1.5	!#A 93  1.81e+05
assign (resid 22 and name HD1#) (resid 79 and name HE#) 4.0 2.2 1.5	!#A 90  2.13e+05
assign (resid 22 and name HD1#) (resid 79 and name HD#) 4.0 2.2 1.5	!#A 134  4.63e+05
assign (resid 22 and name HD2#) (resid 79 and name HD#) 4.0 2.2 1.5	!#A 1721  -2.24e+05
assign (resid 22 and name HD2#) (resid 80 and name HA) 4.0 2.2 2.5	!#A 563  2.01e+05
assign (resid 22 and name HD2#) (resid 81 and name HB#) 4.0 2.2 1.5	!#A 2527  -3.10e+05
assign (resid 22 and name HD2#) (resid 81 and name HG#) 3.0 1.2 2.1	!#A 2273  6.81e+05
assign (resid 22 and name HA) (resid 81 and name HB#) 4.0 2.2 1.0	!#A 490  -2.24e+05
assign (resid 22 and name HA) (resid 81 and name HE#) 3.0 1.2 0.5	!#A 488  -7.08e+05
assign (resid 22 and name HB2) (resid 81 and name HE#) 4.0 2.2 1.0	!#A 955  -2.41e+05
assign (resid 22 and name HD2#) (resid 81 and name HE#) 3.0 1.2 1.8	!#A 954  9.83e+05
assign (resid 22 and name HD2#) (resid 81 and name HA) 4.0 2.2 1.5	!#A 418  4.98e+05
assign (resid 22 and name HA) (resid 81 and name HG#) 4.0 2.2 1.0	!#A 483  5.88e+05
assign (resid 22 and name HG) (resid 81 and name HE#) 4.0 2.2 1.0	!#A 951  -2.04e+05
assign (resid 22 and name HD2#) (resid 81 and name HD#) 4.0 2.2 1.5	!#A 1720  3.87e+05
assign (resid 22 and name HA) (resid 81 and name HD#) 4.0 2.2 1.0	!#A 480  3.10e+05
assign (resid 22 and name HA) (resid 86 and name HG2#) 4.0 2.2 1.7	!#A 489  2.06e+05
assign (resid 22 and name HD2#) (resid 86 and name HG2#) 3.0 1.2 1.5	!#A 1956  1.27e+06
assign (resid 22 and name HB1) (resid 101 and name HG2#) 4.0 2.2 1.5	!#A 1324  -1.82e+05
assign (resid 22 and name HB1) (resid 101 and name HA) 4.0 2.2 1.0	!#A 1319  -1.50e+05
assign (resid 22 and name HD1#) (resid 101 and name HG2#) 3.0 1.2 1.3	!#A 2095  1.26e+06
assign (resid 22 and name HD1#) (resid 101 and name HA) 3.0 1.2 0.8	!#A 905  6.92e+05
assign (resid 22 and name HD1#) (resid 101 and name HG1#) 4.0 2.2 1.5	!#A 1838  5.50e+05
assign (resid 22 and name HD1#) (resid 104 and name HB1) 4.0 2.2 1.5	!#A 2270  2.33e+05
assign (resid 22 and name HD2#) (resid 104 and name HB1) 3.0 1.2 0.8	!#A 2273  6.81e+05
assign (resid 22 and name HD2#) (resid 104 and name HB2) 4.0 2.2 1.5	!#A 1724  -2.36e+05
assign (resid 22 and name HD1#) (resid 104 and name HD1#) 4.0 2.2 2.0	!#A 1839  3.23e+05
assign (resid 22 and name HD2#) (resid 104 and name HD1#) 3.0 1.2 1.3	!#A 1723  7.55e+05
assign (resid 22 and name HD1#) (resid 104 and name HB2) 2.5 0.7 0.7	!#A 1437  1.59e+06
assign (resid 22 and name HG) (resid 105 and name HA) 4.0 2.2 1.0	!#A 2131  3.17e+05
assign (resid 22 and name HD1#) (resid 105 and name HG2#) 3.0 1.2 1.7	!#A 1847  8.86e+05
assign (resid 22 and name HD2#) (resid 105 and name HA) 4.0 2.2 1.5	!#A 771  3.45e+05
assign (resid 22 and name HB2) (resid 105 and name HA) 4.0 2.2 1.0	!#A 1506  5.98e+05
assign (resid 22 and name HB1) (resid 105 and name HA) 4.0 2.2 1.0	!#A 1320  3.19e+05
assign (resid 22 and name HD1#) (resid 105 and name HB) 3.0 1.2 0.8	!#A 1196  6.19e+05
assign (resid 22 and name HD1#) (resid 105 and name HA) 3.0 1.2 0.8	!#A 770  8.03e+05

!V23
assign (resid 23 and name HG1#) (resid 23 and name HB) 4.0 2.2 1.5	!#A 1991  -5.93e+05
assign (resid 23 and name HG1#) (resid 23 and name HA) 3.0 1.2 0.8	!#A 1987  6.65e+05
assign (resid 23 and name HA) (resid 23 and name HG2#) 2.5 0.7 0.7	!#A 311  1.55e+06
assign (resid 23 and name HA) (resid 24 and name HG2#) 4.0 2.2 1.5	!#A 620  2.71e+05
assign (resid 23 and name HG1#) (resid 24 and name HA) 4.0 2.2 1.5	!#A 442  1.79e+05
assign (resid 23 and name HG1#) (resid 25 and name HG2#) 4.0 2.2 2.0	!#A 2737  2.50e+05
assign (resid 23 and name HA) (resid 53 and name HD1#) 4.0 2.2 1.8	!#A 317  1.54e+05
assign (resid 23 and name HA) (resid 53 and name HG1#) 4.0 2.2 1.0	!#A 1540  1.87e+05
assign (resid 23 and name HG1#) (resid 53 and name HG2#) 2.5 0.7 1.5	!#A 1831  4.94e+06
assign (resid 23 and name HG2#) (resid 53 and name HG1#) 3.0 1.2 0.8	!#A 2400  7.68e+05
assign (resid 23 and name HG2#) (resid 53 and name HG2#) 4.0 2.2 2.0	!#A 2641  3.17e+05
assign (resid 23 and name HA) (resid 53 and name HG2#) 4.0 2.2 1.5	!#A 316  5.19e+05
assign (resid 23 and name HG1#) (resid 53 and name HB) 4.0 2.2 1.5	!#A 1989  -2.97e+05
assign (resid 23 and name HA) (resid 53 and name HB) 4.0 2.2 1.0	!#A 1341  6.00e+05
assign (resid 23 and name HA) (resid 53 and name HA) 4.0 2.2 1.0	!#A 314  3.12e+05
assign (resid 23 and name HG2#) (resid 53 and name HD1#) 4.0 2.2 2.0	!#A 1822  5.08e+05
assign (resid 23 and name HA) (resid 54 and name HA) 4.0 2.2 1.0	!#A 262  2.50e+05
assign (resid 23 and name HG1#) (resid 55 and name HB1) 4.0 2.2 1.5	!#A 1629  1.01e+06
assign (resid 23 and name HG1#) (resid 55 and name HB2) 4.0 2.2 1.5	!#A 1400  -1.99e+05
assign (resid 23 and name HG1#) (resid 55 and name HD1#) 2.5 0.7 1.2	!#A 1984  2.00e+06
assign (resid 23 and name HG1#) (resid 55 and name HD2#) 2.5 0.7 1.2	!#A 1981  1.88e+07
assign (resid 23 and name HG1#) (resid 55 and name HG) 4.0 2.2 1.5	!#A 1980  4.50e+05
assign (resid 23 and name HB) (resid 80 and name HA) 4.0 2.2 1.0	!#A 1883  1.50e+05
assign (resid 23 and name HB) (resid 80 and name HD2) 4.0 2.2 1.0	!#A 188  -2.14e+05
assign (resid 23 and name HG2#) (resid 80 and name HB2) 4.0 2.2 1.5	!#A 1019  4.40e+05
assign (resid 23 and name HG1#) (resid 80 and name HB2) 4.0 2.2 1.5	!#A 1982  -2.48e+05
assign (resid 23 and name HG2#) (resid 80 and name HB1) 4.0 2.2 1.5	!#A 1858  -2.46e+05
assign (resid 23 and name HB) (resid 80 and name HB1) 4.0 2.2 1.0	!#A 1276  -3.01e+05
assign (resid 23 and name HB) (resid 80 and name HB2) 4.0 2.2 1.0	!#A 1275  -3.68e+05
assign (resid 23 and name HG1#) (resid 80 and name HB1) 4.0 2.2 1.5	!#A 1983  -2.42e+05
assign (resid 23 and name HG2#) (resid 81 and name HA) 4.0 2.2 1.5	!#A 767  3.87e+05
assign (resid 23 and name HG2#) (resid 81 and name HG#) 4.0 2.2 1.5	!#A 1857  3.02e+05
assign (resid 23 and name HG2#) (resid 82 and name HA) 4.0 2.2 1.5	!#A 1862  -1.53e+05

!V24
assign (resid 24 and name HG1#) (resid 24 and name HA) 4.0 2.2 1.5	!#A 2029  5.95e+05
assign (resid 24 and name HB) (resid 24 and name HA) 4.0 2.2 1.0	!#A 1478  2.08e+05
assign (resid 24 and name HG2#) (resid 42 and name HD#) 4.0 2.2 1.8	!#A 334  5.32e+05
assign (resid 24 and name HG2#) (resid 42 and name HE#) 4.0 2.2 1.5	!#A 254  1.42e+05
assign (resid 24 and name HG1#) (resid 42 and name HE#) 4.0 2.2 1.5	!#A 253  -1.98e+05
assign (resid 24 and name HG2#) (resid 52 and name HG1#) 4.0 2.2 2.0	!#A 2086  2.76e+05
assign (resid 24 and name HB) (resid 52 and name HG1#) 4.0 2.2 1.5	!#A 1476  3.58e+05
assign (resid 24 and name HB) (resid 54 and name HA) 4.0 2.2 1.0	!#A 1479  1.75e+05
assign (resid 24 and name HG2#) (resid 54 and name HD#) 4.0 2.2 1.5	!#A 203  1.93e+05
assign (resid 24 and name HG2#) (resid 54 and name HA) 4.0 2.2 1.5	!#A 260  2.40e+05
assign (resid 24 and name HG1#) (resid 54 and name HD#) 4.0 2.2 1.5	!#A 202  1.53e+05
assign (resid 24 and name HG2#) (resid 54 and name HE#) 4.0 2.2 1.5	!#A 2026  1.72e+05
assign (resid 24 and name HG2#) (resid 77 and name HD#) 4.0 2.2 2.5	!#A 539  2.27e+05
assign (resid 24 and name HG1#) (resid 77 and name HD#) 4.0 2.2 1.5	!#A 2041  -1.56e+05
assign (resid 24 and name HG2#) (resid 79 and name HA) 4.0 2.2 1.5	!#A 2033  2.00e+05
assign (resid 24 and name HG1#) (resid 79 and name HD#) 3.0 1.2 1.0	!#A 127  9.71e+05
assign (resid 24 and name HG1#) (resid 79 and name HE#) 4.0 2.2 1.5	!#A 88  3.88e+05
assign (resid 24 and name HG1#) (resid 79 and name HE#) 4.0 2.2 1.5	!#A 88  3.88e+05
assign (resid 24 and name HG1#) (resid 79 and name HD#) 4.0 2.2 1.5	!#A 2042  -2.42e+05
assign (resid 24 and name HA) (resid 79 and name HA) 4.0 2.2 1.0	!#A 241  5.13e+05
assign (resid 24 and name HG1#) (resid 79 and name HB1) 4.0 2.2 1.5	!#A 2045  1.53e+05
assign (resid 24 and name HG2#) (resid 79 and name HE#) 4.0 2.2 1.5	!#A 94  2.22e+05
assign (resid 24 and name HG2#) (resid 79 and name HB1) 4.0 2.2 1.5	!#A 2028  -2.09e+05
assign (resid 24 and name HG1#) (resid 79 and name HA) 4.0 2.2 1.5	!#A 238  -1.67e+05
assign (resid 24 and name HG1#) (resid 97 and name HD2#) 4.0 2.2 2.0	!#A 2705  3.84e+05
assign (resid 24 and name HB) (resid 97 and name HD2#) 4.0 2.2 1.5	!#A 1924  -1.60e+05
assign (resid 24 and name HG2#) (resid 101 and name HG1#) 4.0 2.2 1.5	!#A 2023  1.55e+05
assign (resid 24 and name HG2#) (resid 101 and name HA) 4.0 2.2 1.5	!#A 1242  -1.71e+05
assign (resid 24 and name HG1#) (resid 101 and name HD1#) 4.0 2.2 2.0	!#A 2046  4.80e+05
assign (resid 24 and name HG2#) (resid 101 and name HD1#) 4.0 2.2 2.0	!#A 2031  2.70e+05
assign (resid 24 and name HG2#) (resid 101 and name HG2#) 4.0 2.2 2.0	!#A 2101  -1.73e+05

!V25
assign (resid 25 and name HA) (resid 25 and name HB) 4.0 2.2 1.0	!#A 371  -1.59e+05
assign (resid 25 and name HG1#) (resid 25 and name HA) 4.0 2.2 1.5	!#A 2139  5.62e+05
assign (resid 25 and name HG1#) (resid 26 and name HB1) 4.0 2.2 1.7	!#A 2140  1.43e+05
assign (resid 25 and name HA) (resid 26 and name HB1) 4.0 2.2 1.0	!#A 369  1.92e+05
assign (resid 25 and name HG1#) (resid 27 and name HE#) 4.0 2.2 1.5	!#A 166  2.55e+05
assign (resid 25 and name HG1#) (resid 27 and name HD#) 4.0 2.2 1.5	!#A 166  2.55e+05
assign (resid 25 and name HB) (resid 27 and name HE#) 4.0 2.2 1.0	!#A 1295  -1.76e+05
assign (resid 25 and name HG1#) (resid 27 and name HE#) 4.0 2.2 1.5	!#A 508  5.55e+05
assign (resid 25 and name HG1#) (resid 27 and name HA) 4.0 2.2 1.5	!#A 339  2.05e+05
assign (resid 25 and name HA) (resid 42 and name HE#) 4.0 2.2 1.0	!#A 248  1.68e+05
assign (resid 25 and name HA) (resid 54 and name HA) 4.0 2.2 1.0	!#A 263  -2.18e+05
assign (resid 25 and name HG2#) (resid 55 and name HG) 4.0 2.2 1.5	!#A 1829  2.12e+05
assign (resid 25 and name HA) (resid 55 and name HB1) 4.0 2.2 1.0	!#A 2392  3.02e+05
assign (resid 25 and name HG2#) (resid 55 and name HB2) 4.0 2.2 1.5	!#A 2611  -2.73e+05
assign (resid 25 and name HG2#) (resid 55 and name HD2#) 4.0 2.2 1.5	!#A 2618  4.56e+05
assign (resid 25 and name HA) (resid 55 and name HB2) 4.0 2.2 1.0	!#A 1401  1.82e+05
assign (resid 25 and name HG1#) (resid 55 and name HB1) 4.0 2.2 1.5	!#A 1628  -2.67e+05
assign (resid 25 and name HG2#) (resid 55 and name HB1) 4.0 2.2 1.5	!#A 1627  3.29e+05
assign (resid 25 and name HA) (resid 55 and name HD1#) 4.0 2.2 1.5	!#A 367  4.18e+05
assign (resid 25 and name HG1#) (resid 55 and name HB2) 4.0 2.2 1.5	!#A 2134  -1.52e+05
assign (resid 25 and name HG1#) (resid 55 and name HD2#) 4.0 2.2 2.0	!#A 2133  1.68e+05
assign (resid 25 and name HA) (resid 55 and name HD2#) 4.0 2.2 1.5	!#A 365  2.73e+05
assign (resid 25 and name HA) (resid 56 and name HA) 3.0 1.2 1.5	!#A 372  7.07e+05
assign (resid 25 and name HG1#) (resid 56 and name HA) 4.0 2.2 1.5	!#A 294  3.60e+05
assign (resid 25 and name HG1#) (resid 57 and name HG2#) 2.5 0.7 1.2	!#A 2138  1.72e+06
assign (resid 25 and name HG1#) (resid 57 and name HG1#) 4.0 2.2 2.0	!#A 2137  -4.92e+05
assign (resid 25 and name HG1#) (resid 57 and name HB) 4.0 2.2 1.5	!#A 1674  1.68e+05
assign (resid 25 and name HG1#) (resid 65 and name HG1#) 4.0 2.2 2.0	!#A 2051  -3.35e+05
assign (resid 25 and name HB) (resid 78 and name HB2) 4.0 2.2 1.0	!#A 1757  -2.97e+05
assign (resid 25 and name HB) (resid 80 and name HD#) 4.0 2.2 1.0	!#A 1264  -2.08e+05
assign (resid 25 and name HB) (resid 80 and name HE#) 4.0 2.2 1.0	!#A 1294  -1.72e+05
assign (resid 25 and name HA) (resid 80 and name HE#) 4.0 2.2 2.0	!#A 356  1.89e+05
assign (resid 25 and name HG2#) (resid 80 and name HD#) 4.0 2.2 1.5	!#A 2617  -2.51e+05
assign (resid 25 and name HG2#) (resid 80 and name HB2) 4.0 2.2 1.5	!#A 1017  -1.76e+05

!D26
assign (resid 26 and name HB1) (resid 26 and name HA) 4.0 2.2 1.0	!#A 1222  -2.91e+05
assign (resid 26 and name HB1) (resid 56 and name HG#) 3.0 1.2 0.5	!#A 1769  -8.01e+05
assign (resid 26 and name HA) (resid 56 and name HG#) 4.0 2.2 1.5	!#A 529  -1.43e+05
assign (resid 26 and name HB1) (resid 56 and name HA) 4.0 2.2 1.0	!#A 298  -1.99e+05
assign (resid 26 and name HB1) (resid 57 and name HB) 4.0 2.2 1.2	!#A 2473  -3.78e+05
assign (resid 26 and name HB2) (resid 77 and name HE#) 4.0 2.2 1.0	!#A 1606  -1.90e+05
assign (resid 26 and name HA) (resid 77 and name HD#) 4.0 2.2 1.0	!#A 526  -1.49e+05
assign (resid 26 and name HB1) (resid 77 and name HD#) 4.0 2.2 1.0	!#A 1765  -1.66e+05
assign (resid 26 and name HB2) (resid 77 and name HD#) 4.0 2.2 1.0	!#A 1605  1.51e+05
assign (resid 26 and name HA) (resid 77 and name HA) 4.0 2.2 1.0	!#A 223  -1.89e+05
assign (resid 26 and name HB2) (resid 97 and name HD2#) 4.0 2.2 1.5	!#A 2389  -2.71e+05

!F27
assign (resid 27 and name HD#) (resid 27 and name HB1) 4.0 2.2 1.0	!#A 171  -2.18e+05
assign (resid 27 and name HB2) (resid 27 and name HD#) 4.0 2.2 1.0	!#A 984  -1.51e+05
assign (resid 27 and name HA) (resid 27 and name HD#) 4.0 2.2 1.0	!#A 336  -2.87e+05
assign (resid 27 and name HA) (resid 27 and name HB1) 4.0 2.2 1.0	!#A 343  -2.17e+05
assign (resid 27 and name HA) (resid 27 and name HB2) 4.0 2.2 1.0	!#A 342  -2.26e+05
assign (resid 27 and name HA) (resid 28 and name HA) 4.0 2.2 1.0	!#A 344  1.56e+05
assign (resid 27 and name HA) (resid 57 and name HB) 4.0 2.2 1.0	!#A 1678  3.49e+05
assign (resid 27 and name HD#) (resid 57 and name HG2#) 4.0 2.2 1.5	!#A 177  5.35e+05
assign (resid 27 and name HE#) (resid 57 and name HB) 4.0 2.2 1.0	!#A 1646  -1.51e+05
assign (resid 27 and name HD#) (resid 57 and name HG1#) 4.0 2.2 1.5	!#A 1993  -2.28e+05
assign (resid 27 and name HD#) (resid 57 and name HB) 4.0 2.2 1.0	!#A 1661  -3.25e+05
assign (resid 27 and name HB1) (resid 57 and name HB) 4.0 2.2 1.0	!#A 1182  1.53e+05
assign (resid 27 and name HA) (resid 57 and name HG2#) 4.0 2.2 1.5	!#A 340  2.98e+05
assign (resid 27 and name HE#) (resid 57 and name HG1#) 4.0 2.2 1.5	!#A 2003  -1.44e+05
assign (resid 27 and name HA) (resid 58 and name HA) 3.0 1.2 1.5	!#A 364  2.39e+06
assign (resid 27 and name HB1) (resid 59 and name HG1#) 4.0 2.2 1.5	!#A 1178  1.62e+05
assign (resid 27 and name HB2) (resid 59 and name HG1#) 4.0 2.2 1.5	!#A 987  1.54e+05
assign (resid 27 and name HE#) (resid 65 and name HG1#) 4.0 2.2 1.5	!#A 2048  -1.45e+05
assign (resid 27 and name HD#) (resid 66 and name HA) 4.0 2.2 1.0	!#A 753  -2.01e+05
assign (resid 27 and name HB1) (resid 66 and name HB#) 4.0 2.2 1.5	!#A 1536  -2.07e+05
assign (resid 27 and name HE#) (resid 66 and name HA) 4.0 2.2 1.0	!#A 778  -1.53e+05
assign (resid 27 and name HE#) (resid 69 and name HB#) 4.0 2.2 1.5	!#A 1633  -1.75e+05
assign (resid 27 and name HE#) (resid 71 and name HG2#) 3.0 1.2 0.8	!#A 167  1.10e+06
assign (resid 27 and name HD#) (resid 71 and name HG1#) 3.0 1.2 1.0	!#A 181  7.60e+05
assign (resid 27 and name HD#) (resid 71 and name HG2#) 4.0 2.2 1.5	!#A 2142  -2.50e+05
assign (resid 27 and name HB1) (resid 71 and name HG2#) 4.0 2.2 1.5	!#A 1174  1.74e+05
assign (resid 27 and name HB2) (resid 71 and name HG1#) 4.0 2.2 1.5	!#A 985  1.58e+05
assign (resid 27 and name HB2) (resid 71 and name HG2#) 4.0 2.2 1.5	!#A 986  1.53e+05
assign (resid 27 and name HB2) (resid 74 and name HG2#) 4.0 2.2 1.5	!#A 1370  3.32e+05
assign (resid 27 and name HA) (resid 75 and name HA) 4.0 2.2 2.0	!#A 590  4.52e+05
assign (resid 27 and name HE#) (resid 76 and name HB) 4.0 2.2 1.3	!#A 489  2.14e+05
assign (resid 27 and name HB2) (resid 76 and name HB) 4.0 2.2 1.0	!#A 757  -2.24e+05
assign (resid 27 and name HB1) (resid 76 and name HB) 4.0 2.2 1.0	!#A 1171  -1.50e+05
assign (resid 27 and name HE#) (resid 78 and name HB1) 4.0 2.2 1.0	!#A 175  -1.64e+05
assign (resid 27 and name HE#) (resid 78 and name HB2) 4.0 2.2 1.0	!#A 174  -1.44e+05
assign (resid 27 and name HE#) (resid 78 and name HG#) 4.0 2.2 1.0	!#A 172  -1.61e+05
assign (resid 27 and name HE#) (resid 80 and name HZ) 4.0 2.2 1.0	!#A 164  -1.51e+05

!S28
assign (resid 28 and name HA) (resid 28 and name HB1) 4.0 2.2 1.0	!#A 621  3.65e+05
assign (resid 28 and name HA) (resid 28 and name HB2) 4.0 2.2 1.0	!#A 620  3.10e+05
assign (resid 28 and name HB1) (resid 29 and name HB#) 4.0 2.2 1.7	!#A 2821  -1.66e+05
assign (resid 28 and name HA) (resid 29 and name HA) 4.0 2.2 1.0	!#A 947  -1.76e+05
assign (resid 28 and name HB2) (resid 30 and name HA) 4.0 2.2 1.0	!#A 1223  -1.90e+05
assign (resid 28 and name HB1) (resid 35 and name HA) 4.0 2.2 1.0	!#A 922  1.68e+05
assign (resid 28 and name HA) (resid 35 and name HB#) 4.0 2.2 1.5	!#A 2367  4.27e+05
assign (resid 28 and name HB1) (resid 35 and name HB#) 4.0 2.2 1.5	!#A 1268  3.05e+05
assign (resid 28 and name HB1) (resid 36 and name HB#) 4.0 2.2 1.7	!#A 2001  1.77e+05
assign (resid 28 and name HA) (resid 74 and name HA) 4.0 2.2 1.0	!#A 950  2.20e+05
assign (resid 28 and name HB1) (resid 74 and name HG2#) 4.0 2.2 1.5	!#A 932  -1.98e+05
assign (resid 28 and name HA) (resid 74 and name HG2#) 3.0 1.2 0.8	!#A 623  6.29e+05
assign (resid 28 and name HB1) (resid 74 and name HB) 4.0 2.2 1.0	!#A 826  1.68e+05
assign (resid 28 and name HA) (resid 74 and name HB) 4.0 2.2 1.0	!#A 619  5.02e+05
assign (resid 28 and name HA) (resid 75 and name HB2) 4.0 2.2 1.0	!#A 625  -1.52e+05
assign (resid 28 and name HA) (resid 75 and name HA) 4.0 2.2 1.0	!#A 268  2.54e+05
assign (resid 28 and name HB1) (resid 75 and name HD#) 4.0 2.2 2.4	!#A 931  1.41e+05

!A29
assign (resid 29 and name HA) (resid 30 and name HG2#) 4.0 2.2 1.5	!#A 409  3.30e+05
assign (resid 29 and name HB#) (resid 31 and name HD1) 4.0 2.2 1.5	!#A 2128  -2.43e+05
assign (resid 29 and name HB#) (resid 31 and name HZ2) 4.0 2.2 1.5	!#A 2125  2.61e+05
assign (resid 29 and name HA) (resid 32 and name HB2) 4.0 2.2 1.0	!#A 2052  -1.72e+05
assign (resid 29 and name HB#) (resid 32 and name HB2) 4.0 2.2 1.5	!#A 1371  5.58e+05
assign (resid 29 and name HB#) (resid 32 and name HB1) 4.0 2.2 1.5	!#A 1170  5.24e+05
assign (resid 29 and name HB#) (resid 32 and name HA) 4.0 2.2 1.5	!#A 2124  -1.58e+05
assign (resid 29 and name HB#) (resid 35 and name HB#) 4.0 2.2 2.0	!#A 2363  5.08e+05
assign (resid 29 and name HB#) (resid 58 and name HA) 4.0 2.2 1.5	!#A 2820  -1.93e+05
assign (resid 29 and name HA) (resid 58 and name HA) 3.0 1.2 0.5	!#A 357  -8.65e+05
assign (resid 29 and name HB#) (resid 59 and name HG2#) 3.0 1.2 1.3	!#A 2129  8.62e+05
assign (resid 29 and name HB#) (resid 59 and name HB) 4.0 2.2 1.5	!#A 1458  1.55e+05
assign (resid 29 and name HB#) (resid 74 and name HG2#) 3.0 1.2 1.8	!#A 1997  1.30e+06
assign (resid 29 and name HA) (resid 74 and name HG2#) 4.0 2.2 1.5	!#A 1992  -1.89e+05
assign (resid 29 and name HB#) (resid 74 and name HB) 4.0 2.2 1.5	!#A 2126  1.67e+05

!T30
assign (resid 30 and name HA) (resid 30 and name HG2#) 3.0 1.2 0.8	!#A 793  2.46e+06
assign (resid 30 and name HA) (resid 30 and name HB) 2.5 0.7 0.4	!#A 790  1.97e+06
assign (resid 30 and name HG2#) (resid 31 and name HD1) 4.0 2.2 1.5	!#A 50  -1.52e+05
assign (resid 30 and name HG2#) (resid 31 and name HB2) 4.0 2.2 1.5	!#A 1601  1.63e+05
assign (resid 30 and name HA) (resid 36 and name HD#) 4.0 2.2 1.0	!#A 783  2.21e+05
assign (resid 30 and name HA) (resid 36 and name HA) 4.0 2.2 1.0	!#A 1059  3.49e+05
assign (resid 30 and name HG2#) (resid 36 and name HD#) 4.0 2.2 1.5	!#A 1369  5.59e+05
assign (resid 30 and name HA) (resid 36 and name HG#) 4.0 2.2 1.0	!#A 1503  2.53e+05
assign (resid 30 and name HG2#) (resid 58 and name HB2) 4.0 2.2 1.5	!#A 1155  2.03e+05

!W31
assign (resid 31 and name HE3) (resid 31 and name HA) 4.0 2.2 1.0	!#A 310  -1.88e+05
assign (resid 31 and name HZ3) (resid 31 and name HH2) 4.0 2.2 1.0	!#A 109  -1.62e+05
assign (resid 31 and name HD1) (resid 31 and name HB2) 4.0 2.2 1.0	!#A 47  2.20e+05
assign (resid 31 and name HD1) (resid 31 and name HB1) 4.0 2.2 1.0	!#A 48  2.62e+05
assign (resid 31 and name HD1) (resid 31 and name HA) 4.0 2.2 1.0	!#A 46  -1.62e+05
assign (resid 31 and name HB1) (resid 31 and name HA) 3.0 1.2 0.5	!#A 929  -7.86e+05
assign (resid 31 and name HB2) (resid 31 and name HA) 3.0 1.2 0.5	!#A 812  -6.92e+05
assign (resid 31 and name HB1) (resid 32 and name HB2) 4.0 2.2 2.3	!#A 1286  1.78e+05
assign (resid 31 and name HE3) (resid 32 and name HA) 4.0 2.2 1.0	!#A 309  -1.55e+05
assign (resid 31 and name HB2) (resid 32 and name HA) 4.0 2.2 1.0	!#A 1143  -1.57e+05
assign (resid 31 and name HD1) (resid 32 and name HB1) 4.0 2.2 2.0	!#A 1654  1.57e+05
assign (resid 31 and name HA) (resid 36 and name HD#) 4.0 2.2 1.3	!#A 401  5.23e+05
assign (resid 31 and name HD1) (resid 60 and name HA) 4.0 2.2 1.0	!#A 373  2.02e+05

!C32
assign (resid 32 and name HA) (resid 32 and name HB1) 4.0 2.2 1.0	!#A 333  -2.41e+05
assign (resid 32 and name HA) (resid 32 and name HB2) 4.0 2.2 1.0	!#A 334  -2.45e+05
assign (resid 32 and name HB1) (resid 34 and name HG#) 4.0 2.2 1.0	!#A 1678  1.90e+05
assign (resid 32 and name HA) (resid 35 and name HB#) 4.0 2.2 1.5	!#A 645  2.48e+05
assign (resid 32 and name HB2) (resid 35 and name HB#) 3.0 1.2 0.8	!#A 2056  6.27e+05
assign (resid 32 and name HB1) (resid 35 and name HB#) 4.0 2.2 1.5	!#A 1681  5.05e+05
assign (resid 32 and name HB2) (resid 36 and name HB#) 4.0 2.2 2.0	!#A 2003  1.82e+05

!G33
assign (resid 33 and name HA1) (resid 34 and name HG#) 4.0 2.2 1.0	!#A 583  1.60e+05
assign (resid 33 and name HA1) (resid 34 and name HD#) 4.0 2.2 1.0	!#A 845  -1.47e+05
assign (resid 33 and name HA2) (resid 36 and name HB#) 4.0 2.2 1.0	!#A 1099  1.92e+05

!P34
assign (resid 34 and name HG#) (resid 34 and name HA) 4.0 2.2 1.0	!#A 1346  2.86e+05
assign (resid 34 and name HB2) (resid 34 and name HG#) 4.0 2.2 1.0	!#A 2110  3.20e+05
assign (resid 34 and name HG#) (resid 34 and name HB1) 4.0 2.2 1.0	!#A 2004  2.00e+05
assign (resid 34 and name HD#) (resid 34 and name HA) 4.0 2.2 1.0	!#A 673  2.00e+05
assign (resid 34 and name HA) (resid 34 and name HD#) 4.0 2.2 1.0	!#A 537  1.55e+05
assign (resid 34 and name HA) (resid 34 and name HB2) 4.0 2.2 1.0	!#A 534  2.31e+05
assign (resid 34 and name HA) (resid 34 and name HB1) 4.0 2.2 1.0	!#A 533  3.76e+05
assign (resid 34 and name HD#) (resid 35 and name HB#) 4.0 2.2 1.5	!#A 1169  -2.06e+05
assign (resid 34 and name HA) (resid 35 and name HB#) 4.0 2.2 2.0	!#A 2359  1.79e+05
assign (resid 34 and name HB2) (resid 35 and name HB#) 4.0 2.2 1.5	!#A 2356  3.37e+05
assign (resid 34 and name HA) (resid 37 and name HE#) 4.0 2.2 1.5	!#A 1444  1.44e+05
assign (resid 34 and name HA) (resid 37 and name HG#) 4.0 2.2 1.0	!#A 535  -1.70e+05
assign (resid 34 and name HB1) (resid 37 and name HB#) 3.0 1.2 1.7	!#A 1139  1.18e+06
assign (resid 34 and name HB2) (resid 38 and name HD1#) 4.0 2.2 1.5	!#A 2554  -1.52e+05
assign (resid 34 and name HB2) (resid 75 and name HD#) 4.0 2.2 1.0	!#A 631  1.99e+05

!A35
assign (resid 35 and name HA) (resid 38 and name HD1#) 4.0 2.2 1.5	!#A 1769  -1.57e+05
assign (resid 35 and name HA) (resid 38 and name HB) 4.0 2.2 1.0	!#A 721  -1.44e+05
assign (resid 35 and name HB#) (resid 74 and name HB) 4.0 2.2 1.0	!#A 2357  3.38e+05
assign (resid 35 and name HA) (resid 75 and name HG#) 4.0 2.2 1.0	!#A 1304  2.64e+05
assign (resid 35 and name HB#) (resid 75 and name HA) 4.0 2.2 1.0	!#A 589  2.02e+05
assign (resid 35 and name HA) (resid 75 and name HB1) 4.0 2.2 1.0	!#A 1291  1.78e+05
assign (resid 35 and name HA) (resid 75 and name HD#) 4.0 2.2 1.0	!#A 720  1.41e+05

!K36
assign (resid 36 and name HG#) (resid 36 and name HA) 4.0 2.2 1.0	!#A 2212  5.34e+05
assign (resid 36 and name HD#) (resid 36 and name HB#) 3.0 1.2 0.5	!#A 2050  1.25e+06
assign (resid 36 and name HA) (resid 36 and name HG#) 4.0 2.2 1.0	!#A 719  4.11e+05
assign (resid 36 and name HA) (resid 36 and name HD#) 4.0 2.2 1.0	!#A 718  -1.45e+05
assign (resid 36 and name HA) (resid 36 and name HB#) 3.0 1.2 0.5	!#A 717  8.99e+05
assign (resid 36 and name HG#) (resid 37 and name HA) 4.0 2.2 1.0	!#A 2213  1.79e+05
assign (resid 36 and name HG#) (resid 39 and name HG#) 4.0 2.2 1.0	!#A 2211  2.50e+05
assign (resid 36 and name HA) (resid 39 and name HB#) 4.0 2.2 1.0	!#A 1054  4.51e+05
assign (resid 36 and name HA) (resid 39 and name HD#) 4.0 2.2 1.0	!#A 1418  2.04e+05
assign (resid 36 and name HG#) (resid 39 and name HA) 4.0 2.2 1.5	!#A 555  1.62e+05

!M37
assign (resid 37 and name HA) (resid 37 and name HB#) 3.0 1.2 0.5	!#A 549  1.01e+06
assign (resid 37 and name HA) (resid 37 and name HG#) 4.0 2.2 1.0	!#A 546  -2.22e+05
assign (resid 37 and name HG#) (resid 40 and name HG#) 4.0 2.2 2.0	!#A 1277  -1.89e+05
assign (resid 37 and name HA) (resid 40 and name HD#) 4.0 2.2 1.0	!#A 548  -1.77e+05

!I38
assign (resid 38 and name HD1#) (resid 38 and name HA) 4.0 2.2 1.5	!#A 1767  2.99e+05
assign (resid 38 and name HG2#) (resid 38 and name HA) 4.0 2.2 1.5	!#A 1621  1.93e+05
assign (resid 38 and name HD1#) (resid 38 and name HB) 4.0 2.2 1.5	!#A 1766  -3.27e+05
assign (resid 38 and name HG2#) (resid 38 and name HB) 4.0 2.2 1.5	!#A 1620  -5.34e+05
assign (resid 38 and name HA) (resid 38 and name HB) 4.0 2.2 1.0	!#A 389  -4.09e+05
assign (resid 38 and name HA) (resid 38 and name HG1#) 4.0 2.2 1.5	!#A 387  3.13e+05
assign (resid 38 and name HA) (resid 39 and name HA) 4.0 2.2 1.0	!#A 728  -1.46e+05
assign (resid 38 and name HB) (resid 39 and name HA) 4.0 2.2 1.0	!#A 1937  1.94e+05
assign (resid 38 and name HG2#) (resid 39 and name HA) 4.0 2.2 1.5	!#A 557  2.62e+05
assign (resid 38 and name HG2#) (resid 40 and name HD#) 4.0 2.2 2.5	!#A 768  1.46e+05
assign (resid 38 and name HG2#) (resid 41 and name HB2) 4.0 2.2 1.5	!#A 917  2.47e+05
assign (resid 38 and name HA) (resid 41 and name HD#) 4.0 2.2 1.0	!#A 723  1.73e+05
assign (resid 38 and name HA) (resid 41 and name HB2) 4.0 2.2 1.0	!#A 916  1.68e+05
assign (resid 38 and name HG1#) (resid 41 and name HD#) 4.0 2.2 1.5	!#A 73  1.70e+05
assign (resid 38 and name HB) (resid 75 and name HB2) 4.0 2.2 1.0	!#A 1305  -2.92e+05
assign (resid 38 and name HD1#) (resid 75 and name HG#) 4.0 2.2 1.5	!#A 1765  1.53e+05
assign (resid 38 and name HB) (resid 75 and name HG#) 4.0 2.2 1.0	!#A 1300  4.75e+05
assign (resid 38 and name HD1#) (resid 77 and name HZ) 4.0 2.2 1.5	!#A 2557  -1.94e+05
assign (resid 38 and name HD1#) (resid 77 and name HE#) 4.0 2.2 1.5	!#A 2556  -1.89e+05
assign (resid 38 and name HB) (resid 77 and name HZ) 4.0 2.2 1.0	!#A 1908  -1.70e+05
assign (resid 38 and name HG1#) (resid 77 and name HZ) 4.0 2.2 1.5	!#A 442  1.89e+05
assign (resid 38 and name HG2#) (resid 77 and name HZ) 4.0 2.2 1.5	!#A 1618  -4.16e+05
assign (resid 38 and name HB) (resid 92 and name HB#) 4.0 2.2 1.5	!#A 1528  -3.25e+05
assign (resid 38 and name HD1#) (resid 92 and name HB#) 3.0 1.2 1.3	!#A 1548  1.19e+06
assign (resid 38 and name HD1#) (resid 92 and name HA) 3.0 1.2 0.8	!#A 1763  -6.06e+05
assign (resid 38 and name HG2#) (resid 92 and name HA) 4.0 2.2 1.5	!#A 1616  -3.46e+05
assign (resid 38 and name HA) (resid 94 and name HD#) 4.0 2.2 1.0	!#A 722  -1.53e+05
assign (resid 38 and name HG1#) (resid 94 and name HE#) 4.0 2.2 1.5	!#A 1337  1.97e+05
assign (resid 38 and name HD1#) (resid 94 and name HD#) 4.0 2.2 1.5	!#A 1764  4.36e+05
assign (resid 38 and name HG2#) (resid 94 and name HB2) 4.0 2.2 1.5	!#A 1615  2.72e+05
assign (resid 38 and name HG2#) (resid 94 and name HB1) 4.0 2.2 1.5	!#A 1614  3.34e+05
assign (resid 38 and name HG2#) (resid 97 and name HD1#) 4.0 2.2 2.0	!#A 1617  2.83e+05

!K39
assign (resid 39 and name HD#) (resid 39 and name HA) 4.0 2.2 1.0	!#A 1404  5.43e+05
assign (resid 39 and name HB#) (resid 39 and name HA) 3.0 1.2 0.5	!#A 1872  6.87e+05
assign (resid 39 and name HD#) (resid 39 and name HB#) 3.0 1.2 0.5	!#A 2094  1.07e+06
assign (resid 39 and name HE#) (resid 39 and name HG#) 4.0 2.2 1.0	!#A 994  3.88e+05
assign (resid 39 and name HA) (resid 39 and name HG#) 4.0 2.2 1.0	!#A 554  2.92e+05
assign (resid 39 and name HE#) (resid 39 and name HG#) 4.0 2.2 1.0	!#A 995  3.59e+05
assign (resid 39 and name HG#) (resid 40 and name HD#) 4.0 2.2 1.0	!#A 1402  -1.83e+05
assign (resid 39 and name HA) (resid 40 and name HD#) 4.0 2.2 1.0	!#A 895  -1.77e+05
assign (resid 39 and name HB#) (resid 40 and name HD#) 4.0 2.2 1.0	!#A 1089  4.48e+05
assign (resid 39 and name HA) (resid 40 and name HG#) 4.0 2.2 1.3	!#A 1255  6.87e+05
assign (resid 39 and name HA) (resid 41 and name HD#) 4.0 2.2 2.0	!#A 552  1.73e+05
assign (resid 39 and name HA) (resid 42 and name HB2) 4.0 2.2 1.0	!#A 927  1.44e+05
assign (resid 39 and name HA) (resid 42 and name HB1) 4.0 2.2 1.0	!#A 847  2.50e+05
assign (resid 39 and name HA) (resid 42 and name HD#) 4.0 2.2 1.0	!#A 25  2.09e+05
assign (resid 39 and name HG#) (resid 43 and name HD#) 4.0 2.2 1.0	!#A 1405  -2.37e+05
assign (resid 39 and name HE#) (resid 43 and name HB#) 2.5 0.7 0.4	!#A 1231  2.06e+06
assign (resid 39 and name HD#) (resid 43 and name HD2) 4.0 2.2 2.3	!#A 69  2.42e+05

!P40
assign (resid 40 and name HD#) (resid 40 and name HA) 4.0 2.2 1.0	!#A 1093  2.09e+05
assign (resid 40 and name HA) (resid 40 and name HG#) 4.0 2.2 1.0	!#A 829  3.07e+05
assign (resid 40 and name HD#) (resid 40 and name HB2) 4.0 2.2 1.0	!#A 1088  4.09e+05
assign (resid 40 and name HG#) (resid 40 and name HB1) 2.5 0.7 0.4	!#A 1837  2.11e+06
assign (resid 40 and name HD#) (resid 40 and name HB1) 4.0 2.2 1.0	!#A 1087  2.50e+05
assign (resid 40 and name HA) (resid 40 and name HB1) 3.0 1.2 0.5	!#A 824  8.41e+05
assign (resid 40 and name HG#) (resid 40 and name HA) 4.0 2.2 1.0	!#A 1842  2.45e+05
assign (resid 40 and name HB2) (resid 40 and name HA) 3.0 1.2 0.5	!#A 1842  9.45e+05
assign (resid 40 and name HB2) (resid 40 and name HG1) 2.5 0.7 0.4	!#A 1839  3.29e+06
assign (resid 40 and name HB1) (resid 40 and name HG1) 2.5 0.7 0.4	!#A 1547  4.17e+06
assign (resid 40 and name HB2) (resid 40 and name HB1) 2.5 0.7 0.4	!#A 1272  2.11e+06
assign (resid 40 and name HB2) (resid 41 and name HD2) 4.0 2.2 1.0	!#A 1273  -2.08e+05
assign (resid 40 and name HB2) (resid 41 and name HA) 4.0 2.2 1.0	!#A 785  -1.51e+05
assign (resid 40 and name HB2) (resid 41 and name HB1) 4.0 2.2 1.5	!#A 1193  -1.74e+05
assign (resid 40 and name HG#) (resid 41 and name HE#) 4.0 2.2 1.0	!#A 1254  1.43e+05
assign (resid 40 and name HA) (resid 43 and name HB#) 4.0 2.2 1.0	!#A 1229  3.98e+05
assign (resid 40 and name HA) (resid 44 and name HA) 4.0 2.2 1.0	!#A 896  1.85e+05

!F41
assign (resid 41 and name HE#) (resid 41 and name HA) 4.0 2.2 1.0	!#A 4  1.93e+05
assign (resid 41 and name HD#) (resid 41 and name HA) 4.0 2.2 1.0	!#A 74  5.88e+05
assign (resid 41 and name HB1) (resid 41 and name HD#) 4.0 2.2 1.0	!#A 857  -3.71e+05
assign (resid 41 and name HB2) (resid 41 and name HD#) 4.0 2.2 1.0	!#A 914  -4.23e+05
assign (resid 41 and name HB2) (resid 41 and name HA) 4.0 2.2 1.0	!#A 915  3.54e+05
assign (resid 41 and name HB1) (resid 41 and name HA) 4.0 2.2 1.0	!#A 859  5.35e+05
assign (resid 41 and name HD#) (resid 42 and name HA) 4.0 2.2 1.8	!#A 79  2.43e+05
assign (resid 41 and name HA) (resid 44 and name HB#) 4.0 2.2 1.0	!#A 451  5.60e+05
assign (resid 41 and name HD#) (resid 45 and name HD2#) 4.0 2.2 1.5	!#A 2707  -3.10e+05
assign (resid 41 and name HD#) (resid 94 and name HG#) 4.0 2.2 1.0	!#A 1977  -3.10e+05
assign (resid 41 and name HD#) (resid 94 and name HD#) 4.0 2.2 1.5	!#A 76  2.43e+05
assign (resid 41 and name HE#) (resid 94 and name HD#) 4.0 2.2 1.0	!#A 4  2.63e+05
assign (resid 41 and name HD#) (resid 94 and name HD#) 4.0 2.2 1.0	!#A 2568  -2.58e+05
assign (resid 41 and name HE#) (resid 94 and name HD#) 4.0 2.2 1.0	!#A 300  2.63e+05
assign (resid 41 and name HD#) (resid 94 and name HD#) 4.0 2.2 1.0	!#A 389  2.43e+05
assign (resid 41 and name HB2) (resid 94 and name HA) 4.0 2.2 1.0	!#A 1136  -1.74e+05
assign (resid 41 and name HE#) (resid 94 and name HE#) 4.0 2.2 1.0	!#A 303  -2.29e+05
assign (resid 41 and name HD#) (resid 94 and name HE#) 4.0 2.2 1.0	!#A 1490  -1.54e+05
assign (resid 41 and name HD#) (resid 94 and name HB2) 4.0 2.2 1.0	!#A 2479  -2.87e+05
assign (resid 41 and name HE#) (resid 94 and name HB2) 4.0 2.2 1.0	!#A 2493  -1.99e+05
assign (resid 41 and name HB1) (resid 94 and name HE#) 4.0 2.2 1.0	!#A 858  -2.39e+05
assign (resid 41 and name HD#) (resid 94 and name HA) 4.0 2.2 1.0	!#A 835  -2.13e+05
assign (resid 41 and name HE#) (resid 94 and name HD#) 4.0 2.2 2.0	!#A 1772  -1.66e+05
assign (resid 41 and name HE#) (resid 94 and name HD#) 4.0 2.2 1.0	!#A 1696  -1.99e+05
assign (resid 41 and name HB2) (resid 94 and name HD#) 4.0 2.2 1.0	!#A 913  -1.42e+05
assign (resid 41 and name HB2) (resid 94 and name HD1) 4.0 2.2 1.5	!#A 912  -2.15e+05
assign (resid 41 and name HD#) (resid 95 and name HA) 4.0 2.2 1.0	!#A 397  1.86e+05
assign (resid 41 and name HD#) (resid 95 and name HG#) 4.0 2.2 1.0	!#A 1549  1.71e+05
assign (resid 41 and name HD#) (resid 97 and name HD1#) 4.0 2.2 1.0	!#A 395  6.65e+05

!F42
assign (resid 42 and name HB2) (resid 42 and name HD#) 4.0 2.2 1.0	!#A 923  -2.29e+05
assign (resid 42 and name HA) (resid 42 and name HD#) 4.0 2.2 1.0	!#A 681  -3.50e+05
assign (resid 42 and name HB1) (resid 42 and name HD#) 4.0 2.2 1.0	!#A 1171  -2.28e+05
assign (resid 42 and name HB2) (resid 42 and name HA) 4.0 2.2 1.0	!#A 926  3.77e+05
assign (resid 42 and name HB1) (resid 42 and name HA) 4.0 2.2 1.0	!#A 846  3.28e+05
assign (resid 42 and name HD#) (resid 43 and name HA) 4.0 2.2 1.0	!#A 27  1.80e+05
assign (resid 42 and name HD#) (resid 43 and name HD#) 4.0 2.2 2.3	!#A 330  -5.63e+05
assign (resid 42 and name HD#) (resid 43 and name HB#) 4.0 2.2 1.0	!#A 307  1.80e+05
assign (resid 42 and name HD#) (resid 45 and name HD1#) 4.0 2.2 1.5	!#A 333  5.47e+05
assign (resid 42 and name HA) (resid 45 and name HG) 4.0 2.2 1.0	!#A 1688  -1.53e+05
assign (resid 42 and name HA) (resid 45 and name HB1) 4.0 2.2 1.0	!#A 686  -1.79e+05
assign (resid 42 and name HA) (resid 45 and name HB2) 4.0 2.2 1.0	!#A 685  -2.01e+05
assign (resid 42 and name HA) (resid 45 and name HD1#) 3.0 1.2 0.8	!#A 683  6.42e+05
assign (resid 42 and name HD#) (resid 77 and name HE#) 4.0 2.2 1.0	!#A 125  -2.01e+05
assign (resid 42 and name HD#) (resid 77 and name HE#) 4.0 2.2 1.0	!#A 114  -2.16e+05
assign (resid 42 and name HD#) (resid 77 and name HD#) 4.0 2.2 1.0	!#A 332  -1.56e+05
assign (resid 42 and name HD#) (resid 77 and name HZ) 4.0 2.2 1.2	!#A 328  -1.92e+05
assign (resid 42 and name HB2) (resid 77 and name HE#) 4.0 2.2 1.0	!#A 1266  1.57e+05
assign (resid 42 and name HB2) (resid 94 and name HA) 4.0 2.2 1.2	!#A 1261  -3.42e+05
assign (resid 42 and name HD#) (resid 97 and name HD1#) 3.0 1.2 0.8	!#A 1791  -6.07e+05
assign (resid 42 and name HD#) (resid 97 and name HB1) 4.0 2.2 1.0	!#A 336  -1.73e+05
assign (resid 42 and name HD#) (resid 97 and name HD2#) 4.0 2.2 1.5	!#A 2665  -1.77e+05
assign (resid 42 and name HB2) (resid 97 and name HD2#) 4.0 2.2 1.5	!#A 925  -3.74e+05
assign (resid 42 and name HB2) (resid 97 and name HD1#) 4.0 2.2 1.5	!#A 924  2.08e+05
assign (resid 42 and name HA) (resid 97 and name HD1#) 4.0 2.2 1.5	!#A 684  3.29e+05

!H43
assign (resid 43 and name HD2) (resid 43 and name HA) 4.0 2.2 1.0	!#A 72  2.32e+05
assign (resid 43 and name HA) (resid 43 and name HB#) 4.0 2.2 1.0	!#A 788  4.19e+05
assign (resid 43 and name HD2) (resid 43 and name HB#) 4.0 2.2 1.0	!#A 70  1.72e+05
assign (resid 43 and name HD2) (resid 44 and name HA) 4.0 2.2 1.0	!#A 925  -1.50e+05
assign (resid 43 and name HE1) (resid 46 and name HB#) 4.0 2.2 1.2	!#A 996  1.67e+05
assign (resid 43 and name HA) (resid 46 and name HB#) 4.0 2.2 1.0	!#A 1001  1.56e+05

!S44
assign (resid 44 and name HA) (resid 44 and name HB#) 4.0 2.2 1.0	!#A 586  2.55e+05
assign (resid 44 and name HA) (resid 47 and name HB2) 4.0 2.2 1.0	!#A 1268  3.43e+05
assign (resid 44 and name HA) (resid 47 and name HG#) 4.0 2.2 1.0	!#A 587  -1.54e+05

!L45
assign (resid 45 and name HB2) (resid 45 and name HD2#) 3.0 1.2 0.8	!#A 1481  2.51e+06
assign (resid 45 and name HA) (resid 45 and name HB1) 4.0 2.2 1.0	!#A 765  -2.73e+05
assign (resid 45 and name HG) (resid 45 and name HB2) 4.0 2.2 1.0	!#A 1689  -4.00e+05
assign (resid 45 and name HA) (resid 45 and name HB2) 4.0 2.2 1.0	!#A 764  -2.89e+05
assign (resid 45 and name HA) (resid 45 and name HD2#) 2.5 0.7 0.7	!#A 763  1.73e+06
assign (resid 45 and name HB1) (resid 45 and name HD2#) 3.0 1.2 0.8	!#A 1693  7.47e+05
assign (resid 45 and name HB1) (resid 45 and name HD1#) 2.5 0.7 0.7	!#A 1692  2.15e+06
assign (resid 45 and name HB2) (resid 45 and name HD1#) 3.0 1.2 0.8	!#A 1498  1.29e+06
assign (resid 45 and name HA) (resid 45 and name HD1#) 4.0 2.2 1.5	!#A 761  5.49e+05
assign (resid 45 and name HA) (resid 47 and name HB2) 4.0 2.2 1.2	!#A 1298  -1.88e+05
assign (resid 45 and name HA) (resid 48 and name HA) 4.0 2.2 1.0	!#A 981  3.06e+05
assign (resid 45 and name HA) (resid 48 and name HB1) 4.0 2.2 1.0	!#A 767  -2.57e+05
assign (resid 45 and name HA) (resid 48 and name HB2) 4.0 2.2 1.0	!#A 1417  4.12e+05
assign (resid 45 and name HA) (resid 48 and name HG#) 4.0 2.2 1.0	!#A 2037  -1.77e+05
assign (resid 45 and name HD2#) (resid 48 and name HD#) 4.0 2.2 1.5	!#A 1925  2.02e+05
assign (resid 45 and name HA) (resid 48 and name HD#) 4.0 2.2 1.0	!#A 759  1.51e+05
assign (resid 45 and name HB1) (resid 49 and name HE#) 4.0 2.2 1.0	!#A 1685  -2.90e+05
assign (resid 45 and name HD2#) (resid 49 and name HE#) 2.5 0.7 0.7	!#A 140  1.63e+06
assign (resid 45 and name HB1) (resid 49 and name HD#) 4.0 2.2 1.0	!#A 1679  -3.86e+05
assign (resid 45 and name HA) (resid 49 and name HE#) 4.0 2.2 1.0	!#A 155  1.51e+05
assign (resid 45 and name HD2#) (resid 49 and name HD#) 3.0 1.2 0.8	!#A 64  1.03e+06
assign (resid 45 and name HD1#) (resid 49 and name HB#) 4.0 2.2 1.7	!#A 941  -1.78e+05
assign (resid 45 and name HD1#) (resid 49 and name HE#) 4.0 2.2 1.5	!#A 149  3.95e+05
assign (resid 45 and name HD1#) (resid 49 and name HD#) 4.0 2.2 1.5	!#A 60  2.47e+05
assign (resid 45 and name HA) (resid 49 and name HD1) 4.0 2.2 1.0	!#A 760  -3.18e+05
assign (resid 45 and name HB1) (resid 52 and name HG2#) 4.0 2.2 2.5	!#A 2489  2.78e+05
assign (resid 45 and name HB1) (resid 54 and name HE#) 4.0 2.2 1.0	!#A 102  -1.48e+05
assign (resid 45 and name HD1#) (resid 54 and name HE#) 4.0 2.2 1.5	!#A 1896  -2.45e+05
assign (resid 45 and name HB2) (resid 54 and name HZ) 4.0 2.2 1.0	!#A 521  -1.54e+05
assign (resid 45 and name HB1) (resid 54 and name HZ) 4.0 2.2 1.0	!#A 195  -1.66e+05
assign (resid 45 and name HD1#) (resid 54 and name HZ) 4.0 2.2 1.5	!#A 192  1.81e+05
assign (resid 45 and name HD1#) (resid 98 and name HA) 4.0 2.2 1.5	!#A 1886  3.34e+05
assign (resid 45 and name HD1#) (resid 98 and name HB#) 4.0 2.2 1.5	!#A 1632  3.66e+05
assign (resid 45 and name HD2#) (resid 98 and name HG1) 4.0 2.2 1.5	!#A 2685  -2.30e+05
assign (resid 45 and name HD2#) (resid 101 and name HD1#) 3.0 1.2 2.2	!#A 1904  6.64e+05
assign (resid 45 and name HD1#) (resid 101 and name HB) 4.0 2.2 1.5	!#A 2060  -2.23e+05
assign (resid 45 and name HB1) (resid 101 and name HD1#) 4.0 2.2 1.5	!#A 1694  -1.67e+05
assign (resid 45 and name HG) (resid 101 and name HD1#) 4.0 2.2 1.5	!#A 1691  1.94e+05
assign (resid 45 and name HD1#) (resid 101 and name HD1#) 2.5 0.7 1.2	!#A 1864  3.23e+06

!S46
assign (resid 46 and name HB#) (resid 46 and name HA) 3.0 1.2 0.5	!#A 1000  7.44e+05
assign (resid 46 and name HB#) (resid 47 and name HA) 4.0 2.2 1.0	!#A 1394  -2.65e+05
assign (resid 46 and name HB#) (resid 54 and name HE#) 4.0 2.2 1.2	!#A 1389  -1.44e+05
assign (resid 46 and name HA) (resid 54 and name HD#) 4.0 2.2 1.0	!#A 210  2.31e+05
assign (resid 46 and name HA) (resid 54 and name HZ) 4.0 2.2 1.0	!#A 911  -1.60e+05
assign (resid 46 and name HA) (resid 54 and name HE#) 4.0 2.2 1.0	!#A 910  -2.92e+05

!E47
assign (resid 47 and name HB#) (resid 47 and name HA) 3.0 1.2 0.5	!#A 1269  1.05e+06
assign (resid 47 and name HA) (resid 47 and name HB1) 3.0 1.2 0.5	!#A 589  9.35e+05
assign (resid 47 and name HG#) (resid 47 and name HA) 3.0 1.2 0.5	!#A 1238  1.15e+06
assign (resid 47 and name HB2) (resid 48 and name HB2) 4.0 2.2 1.0	!#A 1932  -5.92e+05
assign (resid 47 and name HA) (resid 50 and name HB2) 3.0 1.2 0.9	!#A 627  1.11e+07

!K48
assign (resid 48 and name HE#) (resid 48 and name HG#) 4.0 2.2 1.0	!#A 1008  5.29e+05
assign (resid 48 and name HA) (resid 48 and name HB1) 4.0 2.2 1.0	!#A 648  -5.16e+05
assign (resid 48 and name HE#) (resid 48 and name HB2) 4.0 2.2 1.0	!#A 1010  -1.65e+05
assign (resid 48 and name HG#) (resid 48 and name HA) 3.0 1.2 0.5	!#A 1683  7.85e+05
assign (resid 48 and name HB2) (resid 48 and name HA) 3.0 1.2 0.5	!#A 1416  1.20e+06
assign (resid 48 and name HG#) (resid 48 and name HE#) 3.0 1.2 0.5	!#A 1682  -7.30e+05
assign (resid 48 and name HB1) (resid 48 and name HE#) 4.0 2.2 1.0	!#A 1471  -2.14e+05
assign (resid 48 and name HG#) (resid 48 and name HE#) 3.0 1.2 0.5	!#A 2035  -6.90e+05
assign (resid 48 and name HG#) (resid 48 and name HE#) 3.0 1.2 0.5	!#A 1681  -8.15e+05
assign (resid 48 and name HB2) (resid 48 and name HG#) 4.0 2.2 1.0	!#A 1415  2.94e+05
assign (resid 48 and name HB1) (resid 48 and name HG#) 4.0 2.2 1.0	!#A 1469  4.59e+05
assign (resid 48 and name HA) (resid 48 and name HG#) 4.0 2.2 1.0	!#A 646  2.82e+05
assign (resid 48 and name HA) (resid 48 and name HD1) 4.0 2.2 1.0	!#A 643  2.69e+05
assign (resid 48 and name HB1) (resid 48 and name HD#) 3.0 1.2 0.5	!#A 1466  2.61e+06
assign (resid 48 and name HB2) (resid 48 and name HD#) 3.0 1.2 0.5	!#A 1412  6.65e+05
assign (resid 48 and name HA) (resid 48 and name HD#) 4.0 2.2 1.0	!#A 644  1.89e+05
assign (resid 48 and name HB1) (resid 49 and name HD#) 4.0 2.2 1.0	!#A 1467  -3.43e+05
assign (resid 48 and name HD#) (resid 49 and name HD#) 4.0 2.2 1.0	!#A 1467  -3.43e+05
assign (resid 48 and name HB1) (resid 49 and name HB#) 4.0 2.2 1.0	!#A 1301  1.74e+05
assign (resid 48 and name HB2) (resid 49 and name HE#) 4.0 2.2 1.0	!#A 157  -1.53e+05
assign (resid 48 and name HE#) (resid 49 and name HE#) 4.0 2.2 1.0	!#A 153  -2.44e+05
assign (resid 48 and name HE#) (resid 49 and name HE#) 4.0 2.2 1.0	!#A 152  -1.96e+05
assign (resid 48 and name HG#) (resid 49 and name HD#) 4.0 2.2 1.0	!#A 63  1.83e+05
assign (resid 48 and name HG#) (resid 49 and name HB#) 4.0 2.2 1.0	!#A 943  -1.71e+05
assign (resid 48 and name HG#) (resid 49 and name HE#) 4.0 2.2 1.0	!#A 150  1.85e+05
assign (resid 48 and name HG#) (resid 49 and name HD#) 4.0 2.2 1.0	!#A 62  1.48e+05
assign (resid 48 and name HB#) (resid 49 and name HD#) 4.0 2.2 1.0	!#A 1413  1.61e+05
assign (resid 48 and name HD#) (resid 49 and name HD#) 4.0 2.2 1.0	!#A 58  1.65e+05
assign (resid 48 and name HD#) (resid 49 and name HE#) 4.0 2.2 1.0	!#A 146  2.53e+05
assign (resid 48 and name HA) (resid 50 and name HB1) 4.0 2.2 2.0	!#A 1056  3.21e+05
assign (resid 48 and name HB1) (resid 54 and name HZ) 4.0 2.2 1.0	!#A 200  -1.77e+05

!Y49
assign (resid 49 and name HB#) (resid 49 and name HE#) 4.0 2.2 1.0	!#A 948  -2.19e+05
assign (resid 49 and name HA) (resid 49 and name HE#) 4.0 2.2 1.0	!#A 356  -2.19e+05
assign (resid 49 and name HD#) (resid 49 and name HB#) 4.0 2.2 1.0	!#A 54  -3.49e+05
assign (resid 49 and name HB#) (resid 49 and name HD#) 3.0 1.2 0.5	!#A 938  -1.00e+06
assign (resid 49 and name HA) (resid 49 and name HD#) 3.0 1.2 0.5	!#A 352  -7.50e+05
assign (resid 49 and name HB#) (resid 49 and name HA) 3.0 1.2 0.5	!#A 947  9.00e+05
assign (resid 49 and name HA) (resid 50 and name HA) 4.0 2.2 1.0	!#A 471  -2.46e+05
assign (resid 49 and name HB#) (resid 52 and name HB) 4.0 2.2 1.0	!#A 1230  -2.88e+05
assign (resid 49 and name HB#) (resid 52 and name HG1#) 4.0 2.2 1.5	!#A 945  2.90e+05
assign (resid 49 and name HB#) (resid 52 and name HG2#) 3.0 1.2 0.8	!#A 944  1.11e+06
assign (resid 49 and name HE#) (resid 52 and name HG2#) 4.0 2.2 1.5	!#A 142  2.26e+05
assign (resid 49 and name HD#) (resid 52 and name HG2#) 4.0 2.2 1.5	!#A 51  4.42e+05
assign (resid 49 and name HA) (resid 52 and name HG2#) 4.0 2.2 1.5	!#A 354  3.61e+05
assign (resid 49 and name HE#) (resid 54 and name HZ) 4.0 2.2 1.0	!#A 523  -9.58e+05
assign (resid 49 and name HD#) (resid 54 and name HE#) 4.0 2.2 1.0	!#A 423  -4.40e+05
assign (resid 49 and name HA) (resid 54 and name HE#) 4.0 2.2 1.0	!#A 421  2.17e+05
assign (resid 49 and name HB#) (resid 54 and name HZ) 4.0 2.2 1.0	!#A 942  -2.49e+05
assign (resid 49 and name HB#) (resid 54 and name HE#) 4.0 2.2 1.0	!#A 940  -3.04e+05
assign (resid 49 and name HD#) (resid 54 and name HE#) 4.0 2.2 1.0	!#A 106  -4.40e+05
assign (resid 49 and name HD#) (resid 54 and name HZ) 4.0 2.2 1.0	!#A 190  -4.90e+05
assign (resid 49 and name HE#) (resid 98 and name HG#) 4.0 2.2 1.0	!#A 1078  -1.46e+05
assign (resid 49 and name HE#) (resid 101 and name HG2#) 4.0 2.2 1.5	!#A 144  4.70e+05
assign (resid 49 and name HD#) (resid 101 and name HG2#) 4.0 2.2 1.5	!#A 55  5.75e+05
assign (resid 49 and name HD#) (resid 101 and name HG2#) 4.0 2.2 1.5	!#A 2094  -4.09e+05
assign (resid 49 and name HE#) (resid 101 and name HD1#) 4.0 2.2 1.5	!#A 156  2.26e+05
assign (resid 49 and name HD1) (resid 101 and name HD1#) 4.0 2.2 1.5	!#A 66  2.47e+05
assign (resid 49 and name HB#) (resid 101 and name HG2#) 4.0 2.2 1.5	!#A 946  2.33e+05
assign (resid 49 and name HE#) (resid 105 and name HG2#) 4.0 2.2 1.5	!#A 143  2.90e+05
assign (resid 49 and name HD#) (resid 105 and name HG2#) 4.0 2.2 1.5	!#A 1738  -2.90e+05

!S50
assign (resid 50 and name HA) (resid 50 and name HB1) 2.5 0.7 0.4	!#A 470  2.31e+06
assign (resid 50 and name HA) (resid 50 and name HB2) 2.5 0.7 0.4	!#A 469  2.62e+06

!N51
assign (resid 51 and name HA) (resid 51 and name HB2) 2.5 0.7 0.4	!#A 351  -1.53e+06
assign (resid 51 and name HA) (resid 51 and name HB1) 2.5 0.7 0.5	!#A 350  -1.46e+06
assign (resid 51 and name HB1) (resid 52 and name HB) 4.0 2.2 1.0	!#A 1782  -2.11e+05
assign (resid 51 and name HA) (resid 52 and name HG2#) 4.0 2.2 1.5	!#A 2575  -2.73e+05
assign (resid 51 and name HB2) (resid 52 and name HG2#) 4.0 2.2 1.6	!#A 1785  -2.27e+05
assign (resid 51 and name HA) (resid 52 and name HA) 3.0 1.2 1.5	!#A 348  8.97e+05
assign (resid 51 and name HA) (resid 53 and name HD1#) 4.0 2.2 1.5	!#A 317  2.04e+05
assign (resid 51 and name HB1) (resid 105 and name HG2#) 4.0 2.2 1.5	!#A 972  3.80e+05

!V52
assign (resid 52 and name HB) (resid 52 and name HA) 4.0 2.2 1.0	!#A 1228  1.83e+05
assign (resid 52 and name HA) (resid 52 and name HG1#) 3.0 1.2 0.8	!#A 462  1.02e+06
assign (resid 52 and name HA) (resid 52 and name HG2#) 2.5 0.7 0.7	!#A 461  1.71e+06
assign (resid 52 and name HA) (resid 53 and name HB) 4.0 2.2 1.0	!#A 1312  3.30e+05
assign (resid 52 and name HG1#) (resid 53 and name HG1#) 4.0 2.2 1.5	!#A 2399  -1.77e+05
assign (resid 52 and name HA) (resid 53 and name HD1#) 4.0 2.2 1.5	!#A 465  3.45e+05
assign (resid 52 and name HA) (resid 53 and name HG1#) 4.0 2.2 1.3	!#A 459  1.66e+05
assign (resid 52 and name HG1#) (resid 54 and name HD#) 4.0 2.2 1.5	!#A 201  2.43e+05
assign (resid 52 and name HG2#) (resid 54 and name HE#) 4.0 2.2 1.5	!#A 98  4.35e+05
assign (resid 52 and name HB) (resid 54 and name HE#) 4.0 2.2 1.0	!#A 1226  -3.58e+05
assign (resid 52 and name HG1#) (resid 54 and name HE#) 4.0 2.2 1.5	!#A 2083  -2.22e+05
assign (resid 52 and name HG1#) (resid 54 and name HZ) 4.0 2.2 1.5	!#A 194  2.20e+05
assign (resid 52 and name HG2#) (resid 54 and name HZ) 4.0 2.2 1.5	!#A 193  2.56e+05
assign (resid 52 and name HB) (resid 54 and name HZ) 4.0 2.2 1.0	!#A 1227  -1.56e+05
assign (resid 52 and name HB) (resid 54 and name HD#) 4.0 2.2 1.0	!#A 1225  -1.45e+05
assign (resid 52 and name HA) (resid 101 and name HG2#) 4.0 2.2 1.7	!#A 800  1.84e+05
assign (resid 52 and name HB) (resid 101 and name HG2#) 4.0 2.2 1.8	!#A 2107  -3.40e+05
assign (resid 52 and name HB) (resid 101 and name HD1#) 4.0 2.2 2.0	!#A 1231  1.18e+06
assign (resid 52 and name HG1#) (resid 101 and name HG2#) 2.5 0.7 1.5	!#A 2099  1.17e+07
assign (resid 52 and name HG2#) (resid 101 and name HG2#) 2.5 0.7 1.2	!#A 2098  2.92e+06
assign (resid 52 and name HG2#) (resid 105 and name HG2#) 4.0 2.2 2.0	!#A 2530  4.29e+05
assign (resid 52 and name HG2#) (resid 105 and name HB) 4.0 2.2 1.5	!#A 1198  1.58e+05
assign (resid 52 and name HG2#) (resid 105 and name HA) 4.0 2.2 1.5	!#A 772  2.65e+05

!I53
assign (resid 53 and name HA) (resid 53 and name HD1#) 2.5 0.7 0.7	!#A 502  1.53e+06
assign (resid 53 and name HA) (resid 53 and name HG2#) 2.5 0.7 0.7	!#A 501  1.50e+06
assign (resid 53 and name HD1#) (resid 53 and name HB) 3.0 1.2 0.8	!#A 1827  -1.48e+06
assign (resid 53 and name HB) (resid 53 and name HA) 4.0 2.2 1.0	!#A 1342  3.10e+05
assign (resid 53 and name HA) (resid 53 and name HG1#) 4.0 2.2 1.0	!#A 497  4.39e+05
assign (resid 53 and name HG2#) (resid 54 and name HA) 4.0 2.2 1.5	!#A 585  1.73e+05
assign (resid 53 and name HG2#) (resid 54 and name HB2) 4.0 2.2 1.7	!#A 1006  -1.96e+05
assign (resid 53 and name HA) (resid 54 and name HD1) 4.0 2.2 1.0	!#A 209  1.93e+05
assign (resid 53 and name HG2#) (resid 55 and name HG) 4.0 2.2 1.5	!#A 1829  2.12e+05
assign (resid 53 and name HA) (resid 55 and name HD1#) 4.0 2.2 1.5	!#A 839  1.85e+05
assign (resid 53 and name HG2#) (resid 55 and name HA) 4.0 2.2 1.5	!#A 248  1.43e+05
assign (resid 53 and name HG2#) (resid 55 and name HD1#) 2.5 0.7 1.2	!#A 1880  3.17e+07

!F54
assign (resid 54 and name HD#) (resid 54 and name HB2) 4.0 2.2 1.0	!#A 204  -2.33e+05
assign (resid 54 and name HB2) (resid 54 and name HD#) 4.0 2.2 1.0	!#A 1004  -2.91e+05
assign (resid 54 and name HB1) (resid 54 and name HD#) 4.0 2.2 1.0	!#A 1109  -2.44e+05
assign (resid 54 and name HA) (resid 54 and name HD2) 4.0 2.2 1.0	!#A 256  -1.42e+05
assign (resid 54 and name HB2) (resid 54 and name HE#) 4.0 2.2 1.0	!#A 1407  -1.56e+05
assign (resid 54 and name HZ) (resid 54 and name HD#) 4.0 2.2 1.0	!#A 518  -4.06e+05
assign (resid 54 and name HB2) (resid 54 and name HA) 4.0 2.2 1.0	!#A 1007  1.89e+05
assign (resid 54 and name HA) (resid 54 and name HB1) 4.0 2.2 1.0	!#A 261  -1.70e+05
assign (resid 54 and name HZ) (resid 54 and name HE2) 4.0 2.2 1.0	!#A 191  -5.56e+05
assign (resid 54 and name HA) (resid 55 and name HD1#) 4.0 2.2 1.5	!#A 257  1.47e+05
assign (resid 54 and name HE#) (resid 101 and name HG2#) 4.0 2.2 1.5	!#A 95  2.95e+05
assign (resid 54 and name HE#) (resid 101 and name HG1#) 4.0 2.2 1.5	!#A 2667  -1.56e+05
assign (resid 54 and name HD#) (resid 101 and name HD1#) 4.0 2.2 1.5	!#A 206  1.76e+05
assign (resid 54 and name HZ) (resid 101 and name HD1#) 4.0 2.2 1.5	!#A 198  4.61e+05
assign (resid 54 and name HE#) (resid 101 and name HD1#) 3.0 1.2 0.8	!#A 104  6.54e+05
assign (resid 54 and name HZ) (resid 101 and name HG2#) 4.0 2.2 1.5	!#A 197  2.51e+05
assign (resid 54 and name HE#) (resid 101 and name HB) 4.0 2.2 1.5	!#A 103  -1.64e+05

!L55
assign (resid 55 and name HD2#) (resid 55 and name HB1) 4.0 2.2 1.5	!#A 2014  -2.58e+05
assign (resid 55 and name HD1#) (resid 55 and name HB2) 4.0 2.2 1.5	!#A 1876  -2.73e+05
assign (resid 55 and name HD1#) (resid 55 and name HB1) 4.0 2.2 1.5	!#A 1877  -3.89e+05
assign (resid 55 and name HB2) (resid 55 and name HD2#) 3.0 1.2 0.8	!#A 1397  1.12e+06
assign (resid 55 and name HA) (resid 55 and name HD2#) 4.0 2.2 1.5	!#A 243  3.44e+05
assign (resid 55 and name HD1#) (resid 55 and name HA) 3.0 1.2 0.8	!#A 1874  -9.73e+05
assign (resid 55 and name HB1) (resid 55 and name HA) 4.0 2.2 1.0	!#A 1625  -2.98e+05
assign (resid 55 and name HG) (resid 55 and name HA) 4.0 2.2 1.0	!#A 1496  -1.64e+05
assign (resid 55 and name HB2) (resid 55 and name HA) 4.0 2.2 1.0	!#A 1393  -1.86e+05
assign (resid 55 and name HA) (resid 56 and name HB#) 4.0 2.2 1.0	!#A 250  -1.41e+05
assign (resid 55 and name HB1) (resid 57 and name HA) 4.0 2.2 1.2	!#A 976  2.04e+05
assign (resid 55 and name HD2#) (resid 57 and name HG2#) 4.0 2.2 2.0	!#A 2114  -3.82e+05

!E56
assign (resid 56 and name HB#) (resid 56 and name HA) 3.0 1.2 0.5	!#A 1353  6.11e+05
assign (resid 56 and name HA) (resid 56 and name HG1) 4.0 2.2 1.0	!#A 299  -2.32e+05
assign (resid 56 and name HB#) (resid 57 and name HA) 4.0 2.2 1.0	!#A 642  -1.62e+05
assign (resid 56 and name HA) (resid 57 and name HB) 4.0 2.2 1.2	!#A 301  -2.07e+05
assign (resid 56 and name HG#) (resid 57 and name HA) 4.0 2.2 1.0	!#A 639  -1.73e+05
assign (resid 56 and name HA) (resid 57 and name HA) 4.0 2.2 1.0	!#A 297  1.62e+05
assign (resid 56 and name HA) (resid 57 and name HG2#) 4.0 2.2 1.5	!#A 296  2.24e+05

!V57
assign (resid 57 and name HG1#) (resid 57 and name HB) 4.0 2.2 1.5	!#A 2007  -2.61e+05
assign (resid 57 and name HG1#) (resid 57 and name HA) 4.0 2.2 1.5	!#A 2005  4.94e+05
assign (resid 57 and name HB) (resid 57 and name HA) 4.0 2.2 1.0	!#A 1676  1.98e+05
assign (resid 57 and name HB) (resid 57 and name HG2#) 3.0 1.2 0.8	!#A 1675  1.22e+06
assign (resid 57 and name HA) (resid 57 and name HG2#) 3.0 1.2 0.8	!#A 637  1.06e+06
assign (resid 57 and name HG1#) (resid 59 and name HA) 4.0 2.2 1.5	!#A 898  -2.46e+05
assign (resid 57 and name HG2#) (resid 62 and name HB#) 4.0 2.2 2.0	!#A 2118  3.13e+05
assign (resid 57 and name HA) (resid 62 and name HB#) 4.0 2.2 1.5	!#A 638  2.60e+05
assign (resid 57 and name HG1#) (resid 62 and name HB#) 2.5 0.7 1.2	!#A 2006  2.00e+06
assign (resid 57 and name HG1#) (resid 62 and name HA) 4.0 2.2 1.5	!#A 2002  -2.13e+05
assign (resid 57 and name HG1#) (resid 65 and name HB) 2.5 0.7 0.7	!#A 1863  1.68e+06
assign (resid 57 and name HG1#) (resid 65 and name HG1#) 4.0 2.2 2.0	!#A 2705  3.84e+05
assign (resid 57 and name HG2#) (resid 65 and name HG1#) 3.0 1.2 1.3	!#A 2115  7.24e+05
assign (resid 57 and name HG1#) (resid 66 and name HA) 4.0 2.2 1.5	!#A 2008  1.97e+05

!D58
assign (resid 58 and name HB2) (resid 58 and name HA) 4.0 2.2 1.0	!#A 1154  -4.37e+05
assign (resid 58 and name HB1) (resid 58 and name HA) 4.0 2.2 1.0	!#A 1003  -3.40e+05
assign (resid 58 and name HA) (resid 59 and name HG2#) 4.0 2.2 1.5	!#A 359  -2.23e+05
assign (resid 58 and name HA) (resid 60 and name HB1) 4.0 2.2 2.3	!#A 679  -3.19e+05
assign (resid 58 and name HB2) (resid 61 and name HB1) 4.0 2.2 1.0	!#A 1450  -2.46e+05
assign (resid 58 and name HB2) (resid 61 and name HB2) 4.0 2.2 1.0	!#A 1657  -1.80e+05
assign (resid 58 and name HA) (resid 61 and name HB2) 4.0 2.2 1.0	!#A 679  -3.19e+05
assign (resid 58 and name HB1) (resid 61 and name HB2) 2.5 0.7 0.4	!#A 1399  -1.97e+06
assign (resid 58 and name HB2) (resid 62 and name HB#) 4.0 2.2 1.5	!#A 1660  2.86e+05
assign (resid 58 and name HA) (resid 62 and name HB#) 4.0 2.2 1.5	!#A 2449  2.09e+05

!V59
assign (resid 59 and name HG2#) (resid 59 and name HA) 4.0 2.2 1.5	!#A 2079  5.14e+05
assign (resid 59 and name HG1#) (resid 59 and name HA) 4.0 2.2 1.5	!#A 1706  4.45e+05
assign (resid 59 and name HG2#) (resid 59 and name HB) 4.0 2.2 1.5	!#A 2078  -1.43e+05
assign (resid 59 and name HG1#) (resid 59 and name HB) 4.0 2.2 1.5	!#A 1705  2.15e+05
assign (resid 59 and name HA) (resid 59 and name HB) 4.0 2.2 1.0	!#A 895  -1.62e+05
assign (resid 59 and name HG2#) (resid 60 and name HB2) 4.0 2.2 1.5	!#A 1375  1.66e+05
assign (resid 59 and name HB) (resid 60 and name HA) 4.0 2.2 1.0	!#A 1461  -1.52e+05
assign (resid 59 and name HG2#) (resid 60 and name HA) 4.0 2.2 1.5	!#A 327  1.76e+05
assign (resid 59 and name HA) (resid 63 and name HB#) 4.0 2.2 1.0	!#A 1236  -2.82e+05
assign (resid 59 and name HG1#) (resid 63 and name HA) 4.0 2.2 1.5	!#A 1708  -1.71e+05
assign (resid 59 and name HB) (resid 63 and name HA) 4.0 2.2 1.0	!#A 1460  -1.43e+05
assign (resid 59 and name HA) (resid 63 and name HG#) 4.0 2.2 1.5	!#A 1124  -1.78e+05
assign (resid 59 and name HA) (resid 65 and name HB) 4.0 2.2 1.0	!#A 1860  -1.72e+05
assign (resid 59 and name HG2#) (resid 66 and name HB#) 4.0 2.2 2.0	!#A 2082  -1.72e+05
assign (resid 59 and name HG1#) (resid 66 and name HB#) 4.0 2.2 2.0	!#A 1707  4.37e+05
assign (resid 59 and name HA) (resid 66 and name HB#) 4.0 2.2 1.5	!#A 901  -2.11e+05
assign (resid 59 and name HA) (resid 66 and name HA) 4.0 2.2 1.0	!#A 779  1.47e+05
assign (resid 59 and name HG1#) (resid 71 and name HG1#) 4.0 2.2 2.0	!#A 1649  2.31e+05
assign (resid 59 and name HG1#) (resid 71 and name HB) 4.0 2.2 1.5	!#A 1704  2.05e+05
assign (resid 59 and name HG2#) (resid 74 and name HG2#) 3.0 1.2 1.3	!#A 1996  8.03e+05

!D60
assign (resid 60 and name HA) (resid 60 and name HB1) 4.0 2.2 1.0	!#A 328  -2.94e+05
assign (resid 60 and name HA) (resid 60 and name HB2) 4.0 2.2 1.0	!#A 329  -4.35e+05
assign (resid 60 and name HA) (resid 63 and name HB#) 4.0 2.2 1.0	!#A 1221  -1.43e+05
assign (resid 60 and name HA) (resid 63 and name HA) 4.0 2.2 1.0	!#A 331  -1.48e+05

!D61
assign (resid 61 and name HA) (resid 61 and name HB1) 4.0 2.2 1.0	!#A 399  -4.89e+05
assign (resid 61 and name HA) (resid 61 and name HB2) 3.0 1.2 0.5	!#A 398  -6.42e+05
assign (resid 61 and name HA) (resid 62 and name HA) 4.0 2.2 1.0	!#A 307  -3.64e+05
assign (resid 61 and name HB1) (resid 62 and name HB#) 4.0 2.2 1.5	!#A 1035  -1.47e+05
assign (resid 61 and name HB2) (resid 62 and name HB#) 4.0 2.2 1.5	!#A 1665  -1.52e+05
assign (resid 61 and name HA) (resid 63 and name HG#) 4.0 2.2 1.2	!#A 400  -1.50e+05

!A62
assign (resid 62 and name HA) (resid 63 and name HG#) 4.0 2.2 1.0	!#A 1123  1.53e+05
assign (resid 62 and name HB#) (resid 65 and name HG2#) 4.0 2.2 2.0	!#A 2452  4.31e+05
assign (resid 62 and name HB#) (resid 65 and name HG1#) 4.0 2.2 2.0	!#A 1663  3.60e+05
assign (resid 62 and name HA) (resid 65 and name HG2#) 4.0 2.2 1.5	!#A 1946  -2.55e+05
assign (resid 62 and name HB#) (resid 65 and name HB) 4.0 2.2 1.5	!#A 1660  3.96e+05

!Q63
assign (resid 63 and name HB#) (resid 63 and name HA) 2.5 0.7 0.4	!#A 1219  2.42e+06
assign (resid 63 and name HG#) (resid 63 and name HA) 3.0 1.2 0.5	!#A 1126  6.45e+05
assign (resid 63 and name HB#) (resid 64 and name HA) 4.0 2.2 1.0	!#A 1220  1.42e+05
assign (resid 63 and name HG#) (resid 64 and name HA) 4.0 2.2 1.3	!#A 1127  -1.55e+05
assign (resid 63 and name HA) (resid 64 and name HA) 4.0 2.2 1.0	!#A 506  1.67e+05
assign (resid 63 and name HA) (resid 66 and name HB#) 4.0 2.2 1.5	!#A 1537  2.97e+05

!D64
assign (resid 64 and name HB1) (resid 64 and name HA) 3.0 1.2 0.7	!#A 998  1.28e+06
assign (resid 64 and name HA) (resid 64 and name HB2) 3.0 1.2 0.5	!#A 505  -9.07e+05
assign (resid 64 and name HB1) (resid 65 and name HA) 4.0 2.2 1.5	!#A 870  1.78e+05
assign (resid 64 and name HB2) (resid 65 and name HG2#) 4.0 2.2 1.5	!#A 1046  -4.43e+05
assign (resid 64 and name HA) (resid 67 and name HB#) 4.0 2.2 1.0	!#A 2  5.27e+05
assign (resid 64 and name HB2) (resid 68 and name HB#) 4.0 2.2 1.1	!#A 1218  -1.82e+05

!V65
assign (resid 65 and name HG2#) (resid 65 and name HA) 3.0 1.2 0.8	!#A 1950  1.28e+06
assign (resid 65 and name HA) (resid 65 and name HB) 4.0 2.2 1.0	!#A 860  2.19e+05
assign (resid 65 and name HG1#) (resid 66 and name HA) 4.0 2.2 1.5	!#A 780  1.91e+05
assign (resid 65 and name HA) (resid 66 and name HB#) 4.0 2.2 2.0	!#A 1530  2.10e+05
assign (resid 65 and name HA) (resid 68 and name HG#) 4.0 2.2 1.0	!#A 1080  -1.82e+05
assign (resid 65 and name HG1#) (resid 68 and name HB#) 4.0 2.2 1.5	!#A 2047  1.68e+05
assign (resid 65 and name HA) (resid 68 and name HB#) 4.0 2.2 1.0	!#A 862  4.30e+05
assign (resid 65 and name HG1#) (resid 69 and name HB#) 4.0 2.2 2.0	!#A 1636  3.10e+05

!A66
assign (resid 66 and name HA) (resid 69 and name HB#) 3.0 1.2 0.8	!#A 782  9.57e+05
assign (resid 66 and name HB#) (resid 69 and name HB#) 4.0 2.2 2.0	!#A 1533  5.20e+05
assign (resid 66 and name HB#) (resid 71 and name HG2#) 4.0 2.2 2.0	!#A 2163  2.33e+05

!S67
assign (resid 67 and name HA) (resid 67 and name HB#) 3.0 1.2 0.5	!#A 1  1.19e+06

!E68
assign (resid 68 and name HB#) (resid 68 and name HA) 2.5 0.7 0.4	!#A 1219  2.42e+06
assign (resid 68 and name HG#) (resid 68 and name HA) 4.0 2.2 1.0	!#A 1082  5.49e+05
assign (resid 68 and name HB#) (resid 69 and name HB#) 4.0 2.2 1.5	!#A 1632  1.63e+05
assign (resid 68 and name HB#) (resid 69 and name HA) 4.0 2.2 1.0	!#A 1214  -2.51e+05

!A69
assign (resid 69 and name HA) (resid 70 and name HB2) 4.0 2.2 1.0	!#A 1699  -2.51e+05
assign (resid 69 and name HB#) (resid 71 and name HA) 4.0 2.2 1.5	!#A 844  1.69e+05
assign (resid 69 and name HA) (resid 71 and name HG2#) 4.0 2.2 1.5	!#A 467  2.36e+05
assign (resid 69 and name HB#) (resid 71 and name HG2#) 2.5 0.7 1.2	!#A 1635  1.66e+06
assign (resid 69 and name HB#) (resid 71 and name HG1#) 4.0 2.2 2.0	!#A 1634  2.51e+05
assign (resid 69 and name HB#) (resid 71 and name HB) 4.0 2.2 1.5	!#A 1631  1.43e+05

!E70
assign (resid 70 and name HA) (resid 70 and name HB#) 4.0 2.2 1.0	!#A 745  4.48e+05
assign (resid 70 and name HA) (resid 70 and name HG#) 3.0 1.2 0.5	!#A 747  -6.31e+05
assign (resid 70 and name HG#) (resid 72 and name HG#) 4.0 2.2 1.0	!#A 1664  2.01e+05

!V71
assign (resid 71 and name HA) (resid 71 and name HG2#) 2.5 0.7 0.7	!#A 842  1.53e+06
assign (resid 71 and name HG1#) (resid 71 and name HA) 3.0 1.2 0.8	!#A 1968  6.84e+05
assign (resid 71 and name HA) (resid 71 and name HB) 4.0 2.2 1.5	!#A 839  2.06e+05
assign (resid 71 and name HG1#) (resid 72 and name HG#) 4.0 2.2 1.8	!#A 2308  -3.73e+05
assign (resid 71 and name HA) (resid 72 and name HG#) 4.0 2.2 1.0	!#A 840  1.78e+05
assign (resid 71 and name HG1#) (resid 73 and name HB#) 4.0 2.2 2.0	!#A 2727  1.71e+05
assign (resid 71 and name HG1#) (resid 74 and name HA) 4.0 2.2 1.5	!#A 287  2.16e+05
assign (resid 71 and name HG1#) (resid 74 and name HG2#) 2.5 0.7 1.7	!#A 1971  2.32e+07
assign (resid 71 and name HG1#) (resid 76 and name HB) 4.0 2.2 1.5	!#A 1965  3.16e+05
assign (resid 71 and name HG2#) (resid 76 and name HG2#) 3.0 1.2 1.7	!#A 2161  7.78e+05
assign (resid 71 and name HG1#) (resid 76 and name HG2#) 3.0 1.2 1.3	!#A 1970  6.87e+05
assign (resid 71 and name HA) (resid 76 and name HG2#) 4.0 2.2 1.5	!#A 1648  2.24e+05
assign (resid 71 and name HG2#) (resid 76 and name HB) 4.0 2.2 1.5	!#A 2158  1.54e+05
assign (resid 71 and name HG2#) (resid 78 and name HG#) 4.0 2.2 1.5	!#A 1593  -2.51e+05

!K72
assign (resid 72 and name HD#) (resid 72 and name HA) 4.0 2.2 1.0	!#A 1410  3.41e+05
assign (resid 72 and name HB2) (resid 72 and name HA) 4.0 2.2 1.0	!#A 1410  3.41e+05
assign (resid 72 and name HG#) (resid 72 and name HA) 4.0 2.2 1.0	!#A 1410  3.41e+05
assign (resid 72 and name HG#) (resid 72 and name HE#) 2.5 0.7 0.4	!#A 1501  -2.23e+06
assign (resid 72 and name HA) (resid 72 and name HE#) 4.0 2.2 1.0	!#A 603  -1.87e+05
assign (resid 72 and name HB1) (resid 72 and name HD#) 3.0 1.2 0.5	!#A 1809  1.28e+06
assign (resid 72 and name HA) (resid 72 and name HB1) 4.0 2.2 1.0	!#A 288  -3.49e+05
assign (resid 72 and name HE#) (resid 72 and name HG#) 4.0 2.2 1.0	!#A 976  1.56e+05
assign (resid 72 and name HA) (resid 72 and name HG#) 4.0 2.2 1.0	!#A 285  3.64e+05
assign (resid 72 and name HA) (resid 72 and name HD#) 4.0 2.2 1.0	!#A 284  -1.56e+05
assign (resid 72 and name HB2) (resid 73 and name HB#) 4.0 2.2 1.5	!#A 2136  2.75e+05
assign (resid 72 and name HA) (resid 73 and name HB#) 4.0 2.2 1.5	!#A 1613  -1.44e+05
assign (resid 72 and name HB2) (resid 73 and name HA) 4.0 2.2 1.0	!#A 272  -1.58e+05
assign (resid 72 and name HB1) (resid 73 and name HB#) 4.0 2.2 1.5	!#A 1243  -1.78e+05

!A73
assign (resid 73 and name HB#) (resid 90 and name HB2) 4.0 2.2 1.5	!#A 1612  3.26e+05
assign (resid 73 and name HB#) (resid 90 and name HB1) 4.0 2.2 1.5	!#A 1611  4.23e+05

!T74
assign (resid 74 and name HA) (resid 74 and name HG2#) 3.0 1.2 0.8	!#A 321  9.82e+05
assign (resid 74 and name HA) (resid 74 and name HB) 4.0 2.2 1.0	!#A 318  5.01e+05
assign (resid 74 and name HG2#) (resid 75 and name HB1) 4.0 2.2 1.5	!#A 2001  -2.35e+05
assign (resid 74 and name HA) (resid 75 and name HB1) 4.0 2.2 1.0	!#A 324  -1.43e+05
assign (resid 74 and name HA) (resid 75 and name HB2) 4.0 2.2 1.0	!#A 1529  1.47e+05
assign (resid 74 and name HA) (resid 75 and name HD1) 4.0 2.2 1.0	!#A 634  2.20e+05
assign (resid 74 and name HG2#) (resid 75 and name HA) 4.0 2.2 1.5	!#A 1998  2.92e+05
assign (resid 74 and name HB) (resid 75 and name HA) 4.0 2.2 1.0	!#A 827  4.53e+05
assign (resid 74 and name HA) (resid 75 and name HA) 3.0 1.2 0.5	!#A 322  9.79e+05
assign (resid 74 and name HA) (resid 75 and name HD2) 4.0 2.2 1.0	!#A 319  -1.46e+05
assign (resid 74 and name HA) (resid 76 and name HG2#) 4.0 2.2 1.7	!#A 2448  2.13e+05
assign (resid 74 and name HA) (resid 76 and name HB) 4.0 2.2 1.0	!#A 758  1.46e+05

!P75
assign (resid 75 and name HB2) (resid 75 and name HD#) 4.0 2.2 1.0	!#A 2289  -1.54e+05
assign (resid 75 and name HB1) (resid 75 and name HA) 4.0 2.2 1.0	!#A 1290  1.77e+05
assign (resid 75 and name HB2) (resid 75 and name HA) 4.0 2.2 1.0	!#A 1527  2.70e+05
assign (resid 75 and name HG#) (resid 75 and name HD#) 4.0 2.2 1.0	!#A 1327  -2.05e+05
assign (resid 75 and name HG#) (resid 75 and name HD#) 4.0 2.2 1.0	!#A 1326  -1.64e+05
assign (resid 75 and name HA) (resid 75 and name HD#) 4.0 2.2 1.0	!#A 265  -1.78e+05
assign (resid 75 and name HG#) (resid 77 and name HZ) 4.0 2.2 1.0	!#A 139  -1.41e+05
assign (resid 75 and name HG#) (resid 92 and name HA) 4.0 2.2 1.0	!#A 1299  -2.87e+05
assign (resid 75 and name HD2) (resid 92 and name HB#) 4.0 2.2 1.5	!#A 921  1.68e+05

!T76
assign (resid 76 and name HG2#) (resid 76 and name HA) 4.0 2.2 1.5	!#A 1651  5.77e+05
assign (resid 76 and name HG2#) (resid 76 and name HB) 3.0 1.2 0.8	!#A 1645  8.39e+05
assign (resid 76 and name HG2#) (resid 77 and name HA) 4.0 2.2 1.5	!#A 1655  1.50e+05
assign (resid 76 and name HG2#) (resid 77 and name HB2) 4.0 2.2 1.7	!#A 1252  -2.51e+05
assign (resid 76 and name HG2#) (resid 78 and name HE2#) 4.0 2.2 1.5	!#A 495  4.77e+05
assign (resid 76 and name HG2#) (resid 78 and name HB1) 4.0 2.2 1.8	!#A 1659  -1.63e+05
assign (resid 76 and name HG2#) (resid 78 and name HB2) 4.0 2.2 1.5	!#A 1658  -2.37e+05
assign (resid 76 and name HG2#) (resid 78 and name HA) 4.0 2.2 1.5	!#A 1657  1.91e+05
assign (resid 76 and name HG2#) (resid 78 and name HG#) 3.0 1.2 0.8	!#A 1132  7.97e+05
assign (resid 76 and name HG2#) (resid 88 and name HB2) 3.0 1.2 1.3	!#A 1176  8.40e+05
assign (resid 76 and name HG2#) (resid 90 and name HB2) 4.0 2.2 1.5	!#A 1151  2.38e+05
assign (resid 76 and name HG2#) (resid 90 and name HA) 4.0 2.2 1.5	!#A 255  3.36e+05
assign (resid 76 and name HA) (resid 90 and name HA) 3.0 1.2 0.5	!#A 254  9.93e+05
assign (resid 76 and name HA) (resid 90 and name HB2) 4.0 2.2 1.0	!#A 454  2.86e+05
assign (resid 76 and name HA) (resid 90 and name HB1) 4.0 2.2 1.0	!#A 453  2.95e+05
assign (resid 76 and name HG2#) (resid 90 and name HB1) 4.0 2.2 1.5	!#A 1647  2.02e+05
assign (resid 76 and name HB) (resid 90 and name HA) 4.0 2.2 1.0	!#A 251  1.59e+05

!F77
assign (resid 77 and name HA) (resid 77 and name HD#) 4.0 2.2 1.0	!#A 224  -2.31e+05
assign (resid 77 and name HB2) (resid 77 and name HD#) 4.0 2.2 1.0	!#A 1250  -3.48e+05
assign (resid 77 and name HB1) (resid 77 and name HD#) 4.0 2.2 1.0	!#A 1165  -3.44e+05
assign (resid 77 and name HA) (resid 77 and name HB2) 4.0 2.2 1.0	!#A 226  -1.50e+05
assign (resid 77 and name HA) (resid 77 and name HB1) 4.0 2.2 1.0	!#A 225  -2.06e+05
assign (resid 77 and name HB1) (resid 79 and name HZ) 4.0 2.2 1.0	!#A 1667  -1.63e+05
assign (resid 77 and name HD#) (resid 89 and name HD#) 4.0 2.2 1.0	!#A 22  -1.56e+05
assign (resid 77 and name HB2) (resid 89 and name HD#) 4.0 2.2 1.0	!#A 1249  1.76e+05
assign (resid 77 and name HD#) (resid 89 and name HE#) 4.0 2.2 1.0	!#A 17  -2.25e+05
assign (resid 77 and name HE#) (resid 92 and name HB#) 4.0 2.2 1.0	!#A 113  2.16e+05
assign (resid 77 and name HE#) (resid 92 and name HA) 4.0 2.2 1.0	!#A 110  -1.58e+05
assign (resid 77 and name HB1) (resid 97 and name HD2#) 4.0 2.2 1.5	!#A 1167  5.07e+05
assign (resid 77 and name HE#) (resid 97 and name HD1#) 4.0 2.2 1.5	!#A 112  2.52e+05
assign (resid 77 and name HD#) (resid 97 and name HD2#) 4.0 2.2 1.5	!#A 1915  -1.81e+05
assign (resid 77 and name HZ) (resid 97 and name HD1#) 4.0 2.2 1.5	!#A 138  1.87e+05
assign (resid 77 and name HB1) (resid 97 and name HD1#) 4.0 2.2 1.5	!#A 1166  1.67e+05

!Q78
assign (resid 78 and name HB1) (resid 78 and name HA) 4.0 2.2 1.0	!#A 1297  3.46e+05
assign (resid 78 and name HA) (resid 78 and name HG#) 4.0 2.2 1.0	!#A 282  -2.29e+05
assign (resid 78 and name HA) (resid 79 and name HB2) 4.0 2.2 1.0	!#A 281  1.54e+05
assign (resid 78 and name HA) (resid 79 and name HD#) 4.0 2.2 1.0	!#A 279  -1.49e+05
assign (resid 78 and name HB1) (resid 80 and name HD#) 4.0 2.2 1.0	!#A 1877  -2.08e+05
assign (resid 78 and name HB1) (resid 80 and name HE#) 4.0 2.2 1.0	!#A 31  -1.60e+05
assign (resid 78 and name HB1) (resid 85 and name HG#) 4.0 2.2 1.0	!#A 2224  -2.69e+05
assign (resid 78 and name HG#) (resid 85 and name HG#) 4.0 2.2 1.3	!#A 2221  -1.87e+05
assign (resid 78 and name HB1) (resid 85 and name HG#) 4.0 2.2 1.0	!#A 1925  -2.66e+05
assign (resid 78 and name HA) (resid 87 and name HA1) 4.0 2.2 1.3	!#A 280  2.18e+05
assign (resid 78 and name HB1) (resid 88 and name HA) 4.0 2.2 1.0	!#A 222  -1.45e+05
assign (resid 78 and name HA) (resid 88 and name HA) 3.0 1.2 0.5	!#A 276  9.19e+05
assign (resid 78 and name HA) (resid 88 and name HB2) 4.0 2.2 1.0	!#A 278  2.09e+05

!F79
assign (resid 79 and name HD#) (resid 79 and name HA) 4.0 2.2 1.0	!#A 132  2.54e+05
assign (resid 79 and name HB1) (resid 79 and name HD#) 4.0 2.2 1.0	!#A 1057  -2.55e+05
assign (resid 79 and name HB2) (resid 79 and name HD#) 4.0 2.2 1.0	!#A 1083  -2.46e+05
assign (resid 79 and name HA) (resid 79 and name HD#) 4.0 2.2 1.0	!#A 235  -1.94e+05
assign (resid 79 and name HB1) (resid 79 and name HA) 4.0 2.2 1.0	!#A 1062  4.55e+05
assign (resid 79 and name HA) (resid 79 and name HB2) 4.0 2.2 1.0	!#A 240  -1.84e+05
assign (resid 79 and name HA) (resid 80 and name HD2) 4.0 2.2 1.0	!#A 513  1.74e+05
assign (resid 79 and name HB2) (resid 85 and name HG#) 4.0 2.2 1.0	!#A 2501  -1.92e+05
assign (resid 79 and name HB1) (resid 85 and name HA) 4.0 2.2 1.3	!#A 699  -2.30e+05
assign (resid 79 and name HD1) (resid 86 and name HG2#) 4.0 2.2 1.5	!#A 462  3.38e+05
assign (resid 79 and name HA) (resid 86 and name HG2#) 4.0 2.2 1.5	!#A 1963  2.10e+05
assign (resid 79 and name HB1) (resid 86 and name HG2#) 3.0 1.2 0.8	!#A 1061  6.92e+05
assign (resid 79 and name HB2) (resid 86 and name HG2#) 4.0 2.2 1.5	!#A 1958  -1.67e+05
assign (resid 79 and name HB2) (resid 87 and name HA1) 4.0 2.2 1.0	!#A 524  1.53e+05
assign (resid 79 and name HD#) (resid 87 and name HA2) 4.0 2.2 1.0	!#A 126  -1.64e+05
assign (resid 79 and name HE#) (resid 88 and name HA) 4.0 2.2 1.0	!#A 217  -1.67e+05
assign (resid 79 and name HD#) (resid 88 and name HA) 4.0 2.2 1.0	!#A 216  -2.22e+05
assign (resid 79 and name HZ) (resid 89 and name HE#) 4.0 2.2 1.0	!#A 11  -3.23e+05
assign (resid 79 and name HE#) (resid 97 and name HD2#) 4.0 2.2 1.5	!#A 87  4.50e+05
assign (resid 79 and name HZ) (resid 97 and name HD2#) 4.0 2.2 1.5	!#A 1919  -4.11e+05
assign (resid 79 and name HD#) (resid 100 and name HG2#) 4.0 2.2 1.5	!#A 130  2.46e+05
assign (resid 79 and name HE#) (resid 100 and name HB) 4.0 2.2 1.0	!#A 85  2.57e+05
assign (resid 79 and name HB2) (resid 100 and name HG2#) 4.0 2.2 1.5	!#A 1087  1.52e+05
assign (resid 79 and name HZ) (resid 100 and name HG2#) 4.0 2.2 1.5	!#A 2076  -3.00e+05
assign (resid 79 and name HZ) (resid 100 and name HB) 4.0 2.2 1.0	!#A 81  2.14e+05
assign (resid 79 and name HE#) (resid 101 and name HG1#) 4.0 2.2 1.5	!#A 1881  -1.48e+05
assign (resid 79 and name HZ) (resid 101 and name HD1#) 4.0 2.2 1.5	!#A 84  -1.43e+05
assign (resid 79 and name HE#) (resid 101 and name HA) 4.0 2.2 1.0	!#A 92  2.66e+05
assign (resid 79 and name HB2) (resid 104 and name HD1#) 4.0 2.2 1.5	!#A 1084  3.43e+05
assign (resid 79 and name HD#) (resid 104 and name HD1#) 4.0 2.2 1.5	!#A 2058  -1.73e+05
assign (resid 79 and name HB1) (resid 104 and name HB1) 4.0 2.2 1.0	!#A 1480  1.57e+05
assign (resid 79 and name HD#) (resid 104 and name HB2) 4.0 2.2 1.0	!#A 136  -1.53e+05
assign (resid 79 and name HD#) (resid 104 and name HG) 4.0 2.2 1.0	!#A 135  1.46e+05
assign (resid 79 and name HA) (resid 104 and name HD1#) 4.0 2.2 1.5	!#A 236  1.95e+05
assign (resid 79 and name HE1) (resid 104 and name HD1#) 4.0 2.2 1.5	!#A 91  1.64e+05
assign (resid 79 and name HB1) (resid 104 and name HD1#) 4.0 2.2 1.5	!#A 1058  2.47e+05

!F80
assign (resid 80 and name HD#) (resid 80 and name HA) 4.0 2.2 1.0	!#A 187  3.06e+05
assign (resid 80 and name HD#) (resid 80 and name HB1) 4.0 2.2 1.0	!#A 185  -4.11e+05
assign (resid 80 and name HA) (resid 80 and name HD#) 4.0 2.2 1.0	!#A 228  -1.75e+05
assign (resid 80 and name HB1) (resid 80 and name HD#) 4.0 2.2 1.0	!#A 1048  -2.79e+05
assign (resid 80 and name HB2) (resid 80 and name HA) 4.0 2.2 1.0	!#A 1022  3.13e+05
assign (resid 80 and name HE#) (resid 80 and name HA) 4.0 2.2 1.0	!#A 34  1.46e+05
assign (resid 80 and name HA) (resid 80 and name HB1) 4.0 2.2 1.0	!#A 229  -2.10e+05
assign (resid 80 and name HB2) (resid 80 and name HD#) 4.0 2.2 1.0	!#A 1015  -2.32e+05
assign (resid 80 and name HD#) (resid 81 and name HB#) 4.0 2.2 2.3	!#A 2076  2.04e+05
assign (resid 80 and name HA) (resid 81 and name HA) 4.0 2.2 1.0	!#A 234  1.52e+05
assign (resid 80 and name HB1) (resid 83 and name HA2) 4.0 2.2 1.0	!#A 1211  -1.67e+05
assign (resid 80 and name HE#) (resid 84 and name HA) 4.0 2.2 1.0	!#A 359  -1.90e+05
assign (resid 80 and name HA) (resid 84 and name HA) 4.0 2.2 1.0	!#A 385  1.76e+05
assign (resid 80 and name HB2) (resid 85 and name HA) 4.0 2.2 1.0	!#A 1021  -2.21e+05
assign (resid 80 and name HD#) (resid 85 and name HA) 4.0 2.2 1.0	!#A 697  -1.64e+05
assign (resid 80 and name HD#) (resid 85 and name HD#) 4.0 2.2 1.2	!#A 1382  2.04e+05
assign (resid 80 and name HD#) (resid 85 and name HB2) 4.0 2.2 1.0	!#A 1492  1.55e+05
assign (resid 80 and name HB1) (resid 85 and name HA) 4.0 2.2 1.0	!#A 1474  -2.21e+05
assign (resid 80 and name HE#) (resid 85 and name HB2) 4.0 2.2 1.0	!#A 353  1.62e+05
assign (resid 80 and name HA) (resid 85 and name HG#) 4.0 2.2 1.0	!#A 1703  1.62e+05
assign (resid 80 and name HA) (resid 85 and name HA) 3.0 1.2 0.5	!#A 233  7.24e+05
assign (resid 80 and name HE#) (resid 85 and name HG#) 4.0 2.2 1.0	!#A 32  1.43e+05
assign (resid 80 and name HA) (resid 86 and name HG2#) 4.0 2.2 1.5	!#A 1962  5.81e+05
assign (resid 80 and name HA) (resid 86 and name HG1#) 4.0 2.2 1.5	!#A 231  4.15e+05

!K81
assign (resid 81 and name HA) (resid 81 and name HD#) 4.0 2.2 1.0	!#A 416  4.66e+05
assign (resid 81 and name HD#) (resid 81 and name HB#) 2.5 0.7 0.4	!#A 2045  -5.73e+06
assign (resid 81 and name HB#) (resid 81 and name HE#) 4.0 2.2 1.0	!#A 2078  -5.14e+05
assign (resid 81 and name HE#) (resid 81 and name HA) 4.0 2.2 1.0	!#A 956  2.38e+05
assign (resid 81 and name HA) (resid 81 and name HB#) 3.0 1.2 0.5	!#A 423  -9.90e+05
assign (resid 81 and name HE#) (resid 81 and name HG#) 3.0 1.2 0.5	!#A 952  1.17e+06
assign (resid 81 and name HA) (resid 81 and name HG#) 3.0 1.2 0.5	!#A 417  1.40e+06
assign (resid 81 and name HB#) (resid 82 and name HG#) 4.0 2.2 1.0	!#A 2185  -2.25e+05
assign (resid 81 and name HA) (resid 82 and name HA) 4.0 2.2 1.0	!#A 424  1.52e+05
assign (resid 81 and name HB#) (resid 84 and name HB2) 4.0 2.2 1.0	!#A 1389  -1.51e+05
assign (resid 81 and name HE#) (resid 86 and name HG2#) 4.0 2.2 1.5	!#A 2724  -2.59e+05
assign (resid 81 and name HA) (resid 86 and name HG2#) 4.0 2.2 1.5	!#A 1961  1.96e+05
assign (resid 81 and name HB#) (resid 86 and name HG1#) 3.0 1.2 0.8	!#A 1761  -6.94e+05
assign (resid 81 and name HB#) (resid 86 and name HB) 4.0 2.2 1.0	!#A 1095  2.91e+05
assign (resid 81 and name HB#) (resid 86 and name HG2#) 3.0 1.2 0.8	!#A 1391  1.03e+06
assign (resid 81 and name HG#) (resid 86 and name HG2#) 3.0 1.2 2.0	!#A 1955  6.10e+05
assign (resid 81 and name HG#) (resid 86 and name HG1#) 4.0 2.2 1.5	!#A 1759  4.89e+05
assign (resid 81 and name HD#) (resid 86 and name HG1#) 4.0 2.2 1.5	!#A 1757  2.88e+05
assign (resid 81 and name HD#) (resid 86 and name HG2#) 4.0 2.2 1.5	!#A 1954  3.07e+05
assign (resid 81 and name HG#) (resid 104 and name HB1) 4.0 2.2 1.0	!#A 1519  2.31e+07
assign (resid 81 and name HE#) (resid 105 and name HA) 4.0 2.2 1.0	!#A 953  3.04e+05

!K82
assign (resid 82 and name HG#) (resid 82 and name HE#) 2.5 0.7 0.4	!#A 1501  -2.23e+06
assign (resid 82 and name HE#) (resid 82 and name HG#) 3.0 1.2 0.5	!#A 969  6.88e+05
assign (resid 82 and name HB2) (resid 82 and name HE#) 4.0 2.2 1.0	!#A 2023  -1.99e+05
assign (resid 82 and name HG#) (resid 82 and name HA) 3.0 1.2 0.5	!#A 1494  1.17e+06
assign (resid 82 and name HA) (resid 82 and name HG#) 3.0 1.2 0.5	!#A 667  7.57e+05
assign (resid 82 and name HA) (resid 82 and name HD#) 3.0 1.2 1.5	!#A 665  1.04e+06
assign (resid 82 and name HD#) (resid 82 and name HB1) 3.0 1.2 0.5	!#A 1365  8.36e+05
assign (resid 82 and name HA) (resid 82 and name HB2) 3.0 1.2 0.5	!#A 664  6.52e+05
assign (resid 82 and name HA) (resid 82 and name HB1) 3.0 1.2 0.5	!#A 663  1.15e+06
assign (resid 82 and name HE#) (resid 82 and name HB1) 4.0 2.2 1.0	!#A 968  2.18e+05
assign (resid 82 and name HA) (resid 83 and name HA1) 4.0 2.2 1.0	!#A 916  2.16e+05
assign (resid 82 and name HB2) (resid 84 and name HG#) 4.0 2.2 1.0	!#A 1589  2.42e+05

!G83

!Q84
assign (resid 84 and name HB2) (resid 84 and name HA) 3.0 1.2 0.5	!#A 1270  -1.17e+06
assign (resid 84 and name HG#) (resid 84 and name HA) 3.0 1.2 0.5	!#A 1131  -1.12e+06
assign (resid 84 and name HA) (resid 85 and name HB1) 4.0 2.2 1.0	!#A 381  -1.73e+05
assign (resid 84 and name HB1) (resid 85 and name HB2) 4.0 2.2 2.0	!#A 1211  -1.75e+05
assign (resid 84 and name HE2#) (resid 86 and name HG1#) 4.0 2.2 1.5	!#A 470  4.19e+05
assign (resid 84 and name HB2) (resid 86 and name HG1#) 4.0 2.2 1.7	!#A 1879  4.28e+05
assign (resid 84 and name HA) (resid 86 and name HG1#) 4.0 2.2 1.5	!#A 1756  -2.08e+05

!K85
assign (resid 85 and name HG#) (resid 85 and name HE#) 3.0 1.2 0.5	!#A 2219  -7.70e+05
assign (resid 85 and name HA) (resid 85 and name HD#) 3.0 1.2 1.5	!#A 1027  1.04e+06
assign (resid 85 and name HG#) (resid 85 and name HA) 4.0 2.2 1.0	!#A 1702  5.92e+05
assign (resid 85 and name HD#) (resid 85 and name HB2) 3.0 1.2 0.5	!#A 1381  6.34e+05
assign (resid 85 and name HA) (resid 85 and name HB2) 4.0 2.2 1.0	!#A 696  3.13e+05
assign (resid 85 and name HA) (resid 85 and name HB1) 4.0 2.2 1.0	!#A 695  2.29e+05
assign (resid 85 and name HE#) (resid 85 and name HB2) 4.0 2.2 1.0	!#A 978  -1.42e+05
assign (resid 85 and name HE#) (resid 85 and name HB1) 4.0 2.2 1.0	!#A 977  1.43e+05
assign (resid 85 and name HG#) (resid 86 and name HA) 4.0 2.2 1.0	!#A 1701  3.31e+05
assign (resid 85 and name HA) (resid 86 and name HG2#) 4.0 2.2 1.5	!#A 701  2.26e+05
assign (resid 85 and name HG#) (resid 86 and name HA) 4.0 2.2 1.3	!#A 1493  -1.45e+05
assign (resid 85 and name HA) (resid 86 and name HA) 4.0 2.2 1.0	!#A 700  1.66e+05
assign (resid 85 and name HA) (resid 86 and name HG1#) 4.0 2.2 1.5	!#A 698  2.07e+05
assign (resid 85 and name HG#) (resid 87 and name HA2) 4.0 2.2 1.0	!#A 1133  1.72e+05
assign (resid 85 and name HE#) (resid 88 and name HB2) 4.0 2.2 1.0	!#A 1710  -4.35e+05
assign (resid 85 and name HD#) (resid 88 and name HB1) 4.0 2.2 1.0	!#A 1575  2.23e+05
assign (resid 85 and name HG#) (resid 88 and name HB1) 4.0 2.2 1.0	!#A 1119  -1.82e+05

!V86
assign (resid 86 and name HB) (resid 86 and name HA) 2.5 0.7 0.4	!#A 1094  2.43e+06
assign (resid 86 and name HA) (resid 86 and name HG2#) 3.0 1.2 0.8	!#A 427  1.29e+06
assign (resid 86 and name HA) (resid 86 and name HG1#) 2.5 0.7 0.7	!#A 426  4.05e+06
assign (resid 86 and name HA) (resid 87 and name HA1) 4.0 2.2 1.0	!#A 525  2.32e+05
assign (resid 86 and name HA) (resid 104 and name HD1#) 4.0 2.2 1.7	!#A 770  1.81e+05
assign (resid 86 and name HG2#) (resid 104 and name HD1#) 2.5 0.7 1.2	!#A 2071  1.93e+06
assign (resid 86 and name HG2#) (resid 104 and name HD2#) 2.5 0.7 1.6	!#A 1891  1.65e+06
assign (resid 86 and name HG2#) (resid 104 and name HB1) 4.0 2.2 1.5	!#A 2277  3.16e+05
assign (resid 86 and name HB) (resid 104 and name HD2#) 3.0 1.2 0.8	!#A 1093  7.81e+05
assign (resid 86 and name HG1#) (resid 104 and name HD1#) 4.0 2.2 2.0	!#A 1758  2.01e+05

!G87
assign (resid 87 and name HA1) (resid 104 and name HD1#) 4.0 2.2 1.5	!#A 522  2.42e+05
assign (resid 87 and name HA2) (resid 104 and name HD1#) 4.0 2.2 1.5	!#A 804  3.51e+05

!E88
assign (resid 88 and name HB2) (resid 88 and name HA) 4.0 2.2 1.0	!#A 1190  5.22e+05
assign (resid 88 and name HG#) (resid 88 and name HA) 3.0 1.2 0.5	!#A 1190  7.22e+05
assign (resid 88 and name HB1) (resid 88 and name HA) 3.0 1.2 0.5	!#A 1121  8.50e+05
assign (resid 88 and name HB2) (resid 89 and name HA) 4.0 2.2 2.0	!#A 1714  4.24e+05
assign (resid 88 and name HG#) (resid 89 and name HA) 4.0 2.2 2.0	!#A 1193  4.24e+05

!F89
assign (resid 89 and name HD#) (resid 89 and name HA) 3.0 1.2 0.5	!#A 42  6.45e+05
assign (resid 89 and name HD#) (resid 89 and name HB2) 4.0 2.2 1.0	!#A 40  -4.34e+05
assign (resid 89 and name HD#) (resid 89 and name HB1) 4.0 2.2 1.0	!#A 39  -3.87e+05
assign (resid 89 and name HA) (resid 89 and name HB2) 4.0 2.2 1.0	!#A 275  -5.47e+05
assign (resid 89 and name HA) (resid 89 and name HB1) 4.0 2.2 1.0	!#A 274  -5.07e+05
assign (resid 89 and name HB2) (resid 90 and name HA) 4.0 2.2 1.0	!#A 874  -1.45e+05
assign (resid 89 and name HZ) (resid 93 and name HB1) 4.0 2.2 1.0	!#A 162  -1.80e+05
assign (resid 89 and name HD#) (resid 96 and name HG#) 4.0 2.2 1.0	!#A 37  1.81e+05
assign (resid 89 and name HD#) (resid 96 and name HD#) 4.0 2.2 1.0	!#A 35  1.49e+05
assign (resid 89 and name HE#) (resid 96 and name HD#) 4.0 2.2 1.0	!#A 18  1.59e+05
assign (resid 89 and name HD#) (resid 96 and name HD#) 4.0 2.2 1.0	!#A 18  1.59e+05
assign (resid 89 and name HZ) (resid 96 and name HD#) 4.0 2.2 1.0	!#A 2593  -3.83e+05
assign (resid 89 and name HE#) (resid 96 and name HG#) 4.0 2.2 1.0	!#A 2809  -1.41e+05
assign (resid 89 and name HE#) (resid 96 and name HE#) 4.0 2.2 1.0	!#A 21  -1.89e+05
assign (resid 89 and name HB2) (resid 96 and name HE#) 4.0 2.2 1.0	!#A 1106  -1.57e+05
assign (resid 89 and name HD#) (resid 96 and name HE#) 4.0 2.2 1.0	!#A 44  -2.64e+05
assign (resid 89 and name HB2) (resid 96 and name HE#) 4.0 2.2 1.0	!#A 872  -2.23e+05
assign (resid 89 and name HE#) (resid 96 and name HE#) 4.0 2.2 1.2	!#A 20  -1.89e+05
assign (resid 89 and name HB2) (resid 96 and name HD#) 4.0 2.2 1.0	!#A 871  -1.44e+05
assign (resid 89 and name HZ) (resid 97 and name HG) 4.0 2.2 1.0	!#A 1444  -2.74e+05
assign (resid 89 and name HE#) (resid 97 and name HA) 4.0 2.2 1.0	!#A 559  -1.64e+05
assign (resid 89 and name HD#) (resid 97 and name HA) 4.0 2.2 1.3	!#A 41  1.92e+05
assign (resid 89 and name HZ) (resid 97 and name HB1) 4.0 2.2 1.0	!#A 161  -1.66e+05
assign (resid 89 and name HE#) (resid 97 and name HD2#) 4.0 2.2 1.5	!#A 12  2.68e+05
assign (resid 89 and name HZ) (resid 97 and name HD2#) 4.0 2.2 1.5	!#A 1918  -3.51e+05
assign (resid 89 and name HZ) (resid 97 and name HA) 4.0 2.2 1.0	!#A 563  -3.24e+05
assign (resid 89 and name HZ) (resid 97 and name HB2) 4.0 2.2 1.0	!#A 1135  -1.67e+05
assign (resid 89 and name HZ) (resid 97 and name HD1#) 4.0 2.2 1.5	!#A 159  1.44e+05
assign (resid 89 and name HD#) (resid 100 and name HG2#) 4.0 2.2 1.5	!#A 38  4.79e+05
assign (resid 89 and name HD#) (resid 100 and name HB) 4.0 2.2 1.0	!#A 36  2.08e+05
assign (resid 89 and name HE#) (resid 100 and name HB) 4.0 2.2 1.0	!#A 8  2.36e+05
assign (resid 89 and name HE#) (resid 100 and name HG2#) 4.0 2.2 1.5	!#A 2072  -1.41e+05

!S90
assign (resid 90 and name HA) (resid 90 and name HB2) 3.0 1.2 0.5	!#A 253  6.90e+05
assign (resid 90 and name HA) (resid 90 and name HB1) 3.0 1.2 0.5	!#A 252  8.51e+05
assign (resid 90 and name HB2) (resid 91 and name HA2) 3.0 1.2 0.9	!#A 787  2.89e+06

!G91

!A92
assign (resid 92 and name HB#) (resid 92 and name HA) 3.0 1.2 0.8	!#A 1543  -1.02e+06
assign (resid 92 and name HB#) (resid 94 and name HD#) 4.0 2.2 1.5	!#A 1699  4.08e+05

!N93
assign (resid 93 and name HB1) (resid 93 and name HA) 4.0 2.2 1.0	!#A 1345  -4.87e+05
assign (resid 93 and name HB2) (resid 93 and name HA) 4.0 2.2 1.0	!#A 1038  -5.81e+05
assign (resid 93 and name HA) (resid 94 and name HD#) 4.0 2.2 1.0	!#A 2543  -1.76e+05
assign (resid 93 and name HB2) (resid 96 and name HB2) 4.0 2.2 1.0	!#A 1502  -2.58e+05
assign (resid 93 and name HB1) (resid 96 and name HA) 4.0 2.2 1.0	!#A 1076  -1.86e+05
assign (resid 93 and name HA) (resid 96 and name HD#) 4.0 2.2 1.3	!#A 2543  -1.76e+05
assign (resid 93 and name HB2) (resid 96 and name HB1) 4.0 2.2 1.0	!#A 1754  -1.44e+05
assign (resid 93 and name HB1) (resid 96 and name HD#) 4.0 2.2 1.0	!#A 982  -1.48e+05
assign (resid 93 and name HB1) (resid 96 and name HB1) 4.0 2.2 1.0	!#A 981  1.52e+05
assign (resid 93 and name HB1) (resid 96 and name HB2) 4.0 2.2 1.0	!#A 980  -1.48e+05

!K94
assign (resid 94 and name HG#) (resid 94 and name HA) 4.0 2.2 1.0	!#A 1639  1.83e+05
assign (resid 94 and name HE#) (resid 94 and name HG#) 4.0 2.2 1.0	!#A 1066  1.87e+05
assign (resid 94 and name HE#) (resid 94 and name HG#) 4.0 2.2 1.0	!#A 1065  -1.58e+05
assign (resid 94 and name HA) (resid 94 and name HG#) 4.0 2.2 1.0	!#A 837  1.41e+05
assign (resid 94 and name HB1) (resid 94 and name HD#) 3.0 1.2 0.5	!#A 1585  6.53e+05
assign (resid 94 and name HA) (resid 94 and name HD#) 4.0 2.2 1.0	!#A 833  2.31e+05
assign (resid 94 and name HA) (resid 94 and name HD#) 4.0 2.2 1.0	!#A 834  -1.41e+05
assign (resid 94 and name HA) (resid 94 and name HB1) 4.0 2.2 1.0	!#A 831  2.59e+05
assign (resid 94 and name HD#) (resid 94 and name HB1) 3.0 1.2 0.5	!#A 1770  8.52e+05
assign (resid 94 and name HD#) (resid 94 and name HB2) 3.0 1.2 1.5	!#A 1695  1.16e+06
assign (resid 94 and name HE#) (resid 94 and name HB2) 4.0 2.2 1.0	!#A 1064  -1.73e+05
assign (resid 94 and name HE#) (resid 94 and name HB1) 4.0 2.2 1.0	!#A 1063  1.68e+05
assign (resid 94 and name HA) (resid 94 and name HB2) 4.0 2.2 1.0	!#A 832  2.55e+05
assign (resid 94 and name HD#) (resid 94 and name HB2) 4.0 2.2 1.0	!#A 1771  1.60e+05
assign (resid 94 and name HA) (resid 95 and name HG#) 4.0 2.2 1.5	!#A 1164  1.70e+05
assign (resid 94 and name HG#) (resid 95 and name HA) 3.0 1.2 1.0	!#A 2735  7.13e+05
assign (resid 94 and name HG#) (resid 95 and name HG#) 4.0 2.2 1.0	!#A 1551  -2.35e+05
assign (resid 94 and name HA) (resid 96 and name HB2) 4.0 2.2 1.5	!#A 830  1.46e+05
assign (resid 94 and name HB2) (resid 97 and name HD1#) 4.0 2.2 1.0	!#A 2481  3.88e+05
assign (resid 94 and name HA) (resid 97 and name HB2) 4.0 2.2 1.0	!#A 1137  2.44e+05
assign (resid 94 and name HA) (resid 97 and name HB1) 4.0 2.2 1.0	!#A 838  -1.47e+05
assign (resid 94 and name HB1) (resid 97 and name HD1#) 4.0 2.2 1.5	!#A 1586  1.80e+05
assign (resid 94 and name HA) (resid 97 and name HD1#) 4.0 2.2 1.5	!#A 836  2.42e+05

!E95
assign (resid 95 and name HB1) (resid 95 and name HA) 3.0 1.2 0.5	!#A 1788  9.41e+05
assign (resid 95 and name HG#) (resid 95 and name HA) 3.0 1.2 0.5	!#A 1153  1.27e+06
assign (resid 95 and name HA) (resid 95 and name HB2) 3.0 1.2 0.5	!#A 614  7.67e+05
assign (resid 95 and name HB1) (resid 96 and name HA) 4.0 2.2 1.0	!#A 1232  -1.48e+05
assign (resid 95 and name HA) (resid 96 and name HA) 4.0 2.2 1.0	!#A 743  2.55e+05
assign (resid 95 and name HB2) (resid 96 and name HA) 4.0 2.2 1.0	!#A 738  1.70e+05
assign (resid 95 and name HA) (resid 98 and name HB#) 4.0 2.2 1.0	!#A 611  1.59e+05
assign (resid 95 and name HA) (resid 98 and name HG#) 4.0 2.2 2.0	!#A 618  -1.41e+05

!K96
assign (resid 96 and name HA) (resid 96 and name HE#) 4.0 2.2 1.0	!#A 741  -2.17e+05
assign (resid 96 and name HE#) (resid 96 and name HG#) 4.0 2.2 1.0	!#A 1070  1.69e+05
assign (resid 96 and name HE#) (resid 96 and name HG#) 4.0 2.2 1.0	!#A 1069  2.04e+05
assign (resid 96 and name HA) (resid 96 and name HG#) 4.0 2.2 1.0	!#A 739  3.60e+05
assign (resid 96 and name HA) (resid 96 and name HD#) 4.0 2.2 1.0	!#A 736  1.79e+05
assign (resid 96 and name HD#) (resid 96 and name HB1) 4.0 2.2 1.0	!#A 1803  2.79e+05
assign (resid 96 and name HD#) (resid 96 and name HB2) 4.0 2.2 1.0	!#A 1802  2.84e+05
assign (resid 96 and name HA) (resid 96 and name HB2) 4.0 2.2 1.0	!#A 733  4.41e+05
assign (resid 96 and name HA) (resid 96 and name HB1) 4.0 2.2 1.0	!#A 734  2.70e+05
assign (resid 96 and name HE#) (resid 96 and name HB2) 4.0 2.2 1.0	!#A 1105  -1.64e+05
assign (resid 96 and name HB1) (resid 97 and name HD2#) 4.0 2.2 1.5	!#A 2546  4.39e+05
assign (resid 96 and name HA) (resid 99 and name HB#) 2.5 0.7 0.9	!#A 744  2.63e+06
assign (resid 96 and name HG#) (resid 99 and name HB#) 4.0 2.2 1.5	!#A 1574  2.74e+05
assign (resid 96 and name HG#) (resid 100 and name HB) 4.0 2.2 1.0	!#A 2108  1.72e+05

!L97
assign (resid 97 and name HD2#) (resid 97 and name HB1) 4.0 2.2 1.5	!#A 1921  -4.42e+05
assign (resid 97 and name HG) (resid 97 and name HB2) 4.0 2.2 1.0	!#A 1445  -4.63e+05
assign (resid 97 and name HA) (resid 97 and name HB1) 4.0 2.2 1.0	!#A 566  -2.15e+05
assign (resid 97 and name HA) (resid 97 and name HB2) 4.0 2.2 1.0	!#A 565  -2.05e+05
assign (resid 97 and name HA) (resid 97 and name HD2#) 3.0 1.2 0.8	!#A 564  7.33e+05
assign (resid 97 and name HB2) (resid 97 and name HD2#) 4.0 2.2 1.5	!#A 1136  4.10e+05
assign (resid 97 and name HB1) (resid 97 and name HD1#) 2.5 0.7 0.7	!#A 1480  1.48e+06
assign (resid 97 and name HB2) (resid 97 and name HD1#) 3.0 1.2 0.8	!#A 1134  6.02e+05
assign (resid 97 and name HA) (resid 97 and name HD1#) 4.0 2.2 1.5	!#A 562  2.51e+05
assign (resid 97 and name HA) (resid 97 and name HG) 4.0 2.2 1.0	!#A 560  1.50e+05
assign (resid 97 and name HA) (resid 100 and name HG2#) 4.0 2.2 1.5	!#A 567  1.47e+05
assign (resid 97 and name HA) (resid 100 and name HB) 4.0 2.2 1.0	!#A 561  1.78e+05
assign (resid 97 and name HD2#) (resid 100 and name HB) 4.0 2.2 1.5	!#A 1916  1.55e+05
assign (resid 97 and name HD2#) (resid 101 and name HD1#) 3.0 1.2 2.2	!#A 1904  6.64e+05
assign (resid 97 and name HB1) (resid 101 and name HD1#) 4.0 2.2 1.5	!#A 1447  3.65e+05
assign (resid 97 and name HA) (resid 101 and name HD1#) 4.0 2.2 1.5	!#A 2651  2.34e+05
assign (resid 97 and name HD1#) (resid 101 and name HD1#) 4.0 2.2 2.0	!#A 2648  1.52e+05

!E98
assign (resid 98 and name HG#) (resid 98 and name HA) 4.0 2.2 1.0	!#A 1114  4.22e+05
assign (resid 98 and name HA) (resid 98 and name HB#) 4.0 2.2 1.0	!#A 724  4.66e+05
assign (resid 98 and name HG#) (resid 99 and name HA) 4.0 2.2 1.0	!#A 941  -5.43e+05
assign (resid 98 and name HB#) (resid 99 and name HB#) 4.0 2.2 1.5	!#A 2342  1.60e+05
assign (resid 98 and name HG#) (resid 99 and name HB#) 4.0 2.2 1.5	!#A 1116  -2.25e+05
assign (resid 98 and name HA) (resid 101 and name HD1#) 3.0 1.2 0.8	!#A 732  7.11e+05
assign (resid 98 and name HA) (resid 101 and name HG2#) 4.0 2.2 1.5	!#A 731  3.44e+05
assign (resid 98 and name HG#) (resid 101 and name HG2#) 4.0 2.2 1.5	!#A 1077  -2.06e+05
assign (resid 98 and name HG#) (resid 101 and name HB) 4.0 2.2 1.0	!#A 1117  -1.53e+05
assign (resid 98 and name HA) (resid 101 and name HB) 4.0 2.2 1.0	!#A 1377  2.72e+05
assign (resid 98 and name HA) (resid 101 and name HG1#) 4.0 2.2 1.0	!#A 722  1.66e+05
assign (resid 98 and name HG#) (resid 102 and name HB#) 4.0 2.2 1.0	!#A 1026  -1.41e+05
assign (resid 98 and name HA) (resid 102 and name HB#) 4.0 2.2 1.2	!#A 727  1.97e+05

!A99
assign (resid 99 and name HA) (resid 100 and name HA) 4.0 2.2 1.0	!#A 937  2.10e+05
assign (resid 99 and name HB#) (resid 100 and name HA) 4.0 2.2 1.5	!#A 1573  1.73e+05
assign (resid 99 and name HA) (resid 101 and name HB) 4.0 2.2 1.0	!#A 2067  1.87e+05
assign (resid 99 and name HA) (resid 102 and name HB#) 4.0 2.2 1.0	!#A 612  -2.75e+05

!T100
assign (resid 100 and name HA) (resid 100 and name HG2#) 2.5 0.7 0.7	!#A 818  2.40e+06
assign (resid 100 and name HA) (resid 100 and name HB) 3.0 1.2 0.5	!#A 816  8.90e+05
assign (resid 100 and name HG2#) (resid 101 and name HA) 4.0 2.2 1.5	!#A 2062  2.05e+05
assign (resid 100 and name HB) (resid 101 and name HG1#) 4.0 2.2 1.0	!#A 1866  1.63e+05
assign (resid 100 and name HG2#) (resid 101 and name HG1#) 4.0 2.2 1.5	!#A 2660  3.08e+05
assign (resid 100 and name HG2#) (resid 103 and name HG#) 4.0 2.2 1.5	!#A 2077  -1.57e+05
assign (resid 100 and name HG2#) (resid 103 and name HB2) 4.0 2.2 1.5	!#A 1206  2.35e+05
assign (resid 100 and name HG2#) (resid 103 and name HG#) 4.0 2.2 1.5	!#A 1162  -2.30e+05
assign (resid 100 and name HA) (resid 103 and name HG#) 4.0 2.2 1.0	!#A 1160  2.27e+05
assign (resid 100 and name HA) (resid 103 and name HA) 4.0 2.2 1.0	!#A 590  2.10e+05
assign (resid 100 and name HA) (resid 103 and name HB1) 4.0 2.2 1.0	!#A 815  3.07e+05
assign (resid 100 and name HA) (resid 103 and name HB2) 4.0 2.2 1.0	!#A 814  3.55e+05
assign (resid 100 and name HG2#) (resid 104 and name HD1#) 2.5 0.7 1.2	!#A 2073  1.35e+07
assign (resid 100 and name HG2#) (resid 104 and name HG) 4.0 2.2 1.5	!#A 2074  3.57e+05
assign (resid 100 and name HA) (resid 104 and name HG) 4.0 2.2 1.0	!#A 817  -1.49e+05

!I101
assign (resid 101 and name HA) (resid 101 and name HD1#) 4.0 2.2 1.5	!#A 909  5.19e+05
assign (resid 101 and name HG2#) (resid 101 and name HB) 3.0 1.2 0.8	!#A 2102  -7.94e+05
assign (resid 101 and name HD1#) (resid 101 and name HB) 3.0 1.2 0.8	!#A 1870  -6.64e+05
assign (resid 101 and name HB) (resid 101 and name HA) 4.0 2.2 1.0	!#A 1376  1.61e+05
assign (resid 101 and name HA) (resid 101 and name HG1#) 4.0 2.2 1.0	!#A 902  2.17e+05
assign (resid 101 and name HG1#) (resid 102 and name HA) 4.0 2.2 2.5	!#A 844  1.81e+05
assign (resid 101 and name HG2#) (resid 102 and name HA) 4.0 2.2 1.5	!#A 511  4.44e+05
assign (resid 101 and name HA) (resid 104 and name HD1#) 4.0 2.2 1.5	!#A 906  -1.77e+05
assign (resid 101 and name HG2#) (resid 105 and name HG2#) 3.0 1.2 1.3	!#A 2100  1.37e+06
assign (resid 101 and name HB) (resid 105 and name HB) 4.0 2.2 1.0	!#A 1731  -3.07e+05
assign (resid 101 and name HA) (resid 105 and name HA) 4.0 2.2 1.0	!#A 1241  -2.41e+05
assign (resid 101 and name HA) (resid 105 and name HB) 4.0 2.2 1.0	!#A 1727  3.38e+05
assign (resid 101 and name HG1#) (resid 105 and name HB) 4.0 2.2 1.5	!#A 1726  2.09e+05
assign (resid 101 and name HG2#) (resid 105 and name HA) 4.0 2.2 1.5	!#A 2097  1.59e+05
assign (resid 101 and name HG2#) (resid 105 and name HB) 4.0 2.2 1.5	!#A 2091  2.66e+05

!N102
assign (resid 102 and name HA) (resid 102 and name HB#) 3.0 1.2 0.5	!#A 509  -7.50e+05
assign (resid 102 and name HB#) (resid 103 and name HB2) 4.0 2.2 1.0	!#A 1433  -2.09e+05
assign (resid 102 and name HB#) (resid 103 and name HB1) 4.0 2.2 1.5	!#A 1434  -2.89e+05
assign (resid 102 and name HA) (resid 103 and name HA) 4.0 2.2 1.0	!#A 510  2.10e+05
assign (resid 102 and name HB#) (resid 103 and name HA) 4.0 2.2 1.0	!#A 593  -5.42e+05
assign (resid 102 and name HA) (resid 105 and name HG2#) 3.0 1.2 1.2	!#A 846  1.39e+06
assign (resid 102 and name HA) (resid 105 and name HA) 4.0 2.2 1.0	!#A 1052  -2.07e+05
assign (resid 102 and name HB#) (resid 105 and name HG1#) 4.0 2.2 1.5	!#A 1742  -2.11e+05
assign (resid 102 and name HA) (resid 105 and name HG1#) 3.0 1.2 0.8	!#A 508  1.39e+06
assign (resid 102 and name HA) (resid 105 and name HB) 4.0 2.2 1.0	!#A 507  2.72e+05

!E103
assign (resid 103 and name HB1) (resid 103 and name HA) 3.0 1.2 0.5	!#A 1247  1.22e+06
assign (resid 103 and name HG#) (resid 103 and name HA) 3.0 1.2 0.5	!#A 1163  8.23e+05
assign (resid 103 and name HA) (resid 103 and name HB2) 3.0 1.2 0.5	!#A 588  9.48e+05
assign (resid 103 and name HG#) (resid 104 and name HG) 4.0 2.2 1.0	!#A 1429  -2.18e+05
assign (resid 103 and name HG#) (resid 104 and name HA) 4.0 2.2 1.5	!#A 1666  -2.19e+05
assign (resid 103 and name HG#) (resid 104 and name HD2#) 4.0 2.2 1.5	!#A 2678  -1.95e+05
assign (resid 103 and name HB1) (resid 104 and name HG) 4.0 2.2 1.0	!#A 1819  3.12e+05
assign (resid 103 and name HB1) (resid 104 and name HA) 4.0 2.2 1.0	!#A 1248  1.89e+05
assign (resid 103 and name HA) (resid 104 and name HA) 4.0 2.2 1.0	!#A 479  1.47e+05
assign (resid 103 and name HA) (resid 104 and name HD2#) 4.0 2.2 1.8	!#A 591  -1.56e+05
assign (resid 103 and name HG#) (resid 104 and name HD2#) 4.0 2.2 1.5	!#A 1161  4.63e+05
assign (resid 103 and name HG#) (resid 104 and name HD1#) 4.0 2.2 1.5	!#A 1158  -1.89e+05
assign (resid 103 and name HB2) (resid 104 and name HD2#) 4.0 2.2 1.5	!#A 1887  2.09e+05
assign (resid 103 and name HB1) (resid 104 and name HD2#) 4.0 2.2 1.5	!#A 1888  1.74e+05
assign (resid 103 and name HB2) (resid 104 and name HG) 4.0 2.2 1.0	!#A 1427  2.29e+05
assign (resid 103 and name HA) (resid 105 and name HG1#) 4.0 2.2 1.5	!#A 592  -1.86e+05

!L104
assign (resid 104 and name HB1) (resid 104 and name HD2#) 2.5 0.7 0.7	!#A 2274  1.92e+06
assign (resid 104 and name HA) (resid 104 and name HB1) 4.0 2.2 1.0	!#A 809  -4.21e+05
assign (resid 104 and name HA) (resid 104 and name HD2#) 2.5 0.7 0.7	!#A 477  4.68e+06
assign (resid 104 and name HD2#) (resid 104 and name HB2) 4.0 2.2 1.5	!#A 1890  -3.59e+05
assign (resid 104 and name HA) (resid 104 and name HB2) 4.0 2.2 1.0	!#A 475  -2.39e+05
assign (resid 104 and name HB2) (resid 104 and name HD1#) 2.5 0.7 0.7	!#A 1438  1.62e+06
assign (resid 104 and name HA) (resid 104 and name HD1#) 4.0 2.2 1.5	!#A 473  4.52e+05
assign (resid 104 and name HB1) (resid 104 and name HD1#) 3.0 1.2 0.8	!#A 1518  8.69e+05
assign (resid 104 and name HA) (resid 104 and name HG) 4.0 2.2 1.0	!#A 474  3.03e+05
assign (resid 104 and name HA) (resid 105 and name HG1#) 4.0 2.2 1.8	!#A 478  4.50e+05
assign (resid 104 and name HA) (resid 105 and name HA) 4.0 2.2 1.0	!#A 476  3.12e+05

!V105
assign (resid 105 and name HG1#) (resid 105 and name HA) 3.0 1.2 0.8	!#A 2534  2.72e+06
assign (resid 105 and name HG2#) (resid 105 and name HA) 2.5 0.7 0.7	!#A 1739  2.72e+06
assign (resid 105 and name HA) (resid 105 and name HB) 3.0 1.2 0.5	!#A 769  1.29e+06


!within Ref-1 peptide


!P106

!A107
assign (resid 107 and name HB#) (resid 108 and name HN) 4.0 2.2 1.5	!#A 25  1.60e+05
assign (resid 107 and name HA) (resid 108 and name HN) 2.5 0.7 0.4	!#A 27  5.61e+05

!T108
assign (resid 108 and name HN) (resid 108 and name HG2#) 4.0 2.2 1.5	!#A 24  1.07e+05
assign (resid 108 and name HN) (resid 108 and name HB) 4.0 2.2 1.0	!#A 26  1.30e+05
assign (resid 108 and name HN) (resid 108 and name HA) 4.0 2.2 1.0      !new
assign (resid 108 and name HA) (resid 109 and name HN) 2.5 0.7 0.4	!#A 6  1.10e+06
assign (resid 108 and name HB) (resid 109 and name HN) 4.0 2.2 1.0	!#A 18  1.77e+05
assign (resid 108 and name HG2#) (resid 109 and name HN) 4.0 2.2 1.5	!#A 22  1.19e+05
assign (resid 108 and name HN) (resid 109 and name HN) 4.0 2.2 1.0	!#A 45  1.80e+05

!L109
assign (resid 109 and name HN) (resid 109 and name HG) 4.0 2.2 1.0	!#A 19  3.51e+05
assign (resid 109 and name HN) (resid 109 and name HB2) 4.0 2.2 1.0	!#A 20  2.41e+05
assign (resid 109 and name HN) (resid 109 and name HB1) 4.0 2.2 1.0	!#A 21  1.74e+05
assign (resid 109 and name HN) (resid 109 and name HA) 4.0 2.2 1.0      !new
assign (resid 109 and name HA) (resid 110 and name HN) 3.0 1.2 0.5	!#A 8  4.84e+05
assign (resid 109 and name HB#) (resid 110 and name HN) 4.0 2.2 1.0	!#A 11  7.47e+04
assign (resid 109 and name hn) (resid 110 and name hn) 4.0 2.2 1.0

!K110
assign (resid 110 and name HN) (resid 110 and name HG#) 4.0 2.2 1.0	!#A 12  7.87e+04
assign (resid 110 and name HN) (resid 110 and name HA) 4.0 2.2 1.0      !new2
assign (resid 110 and name HN) (resid 110 and name HB#) 4.0 2.2 1.0     !new2
assign (resid 110 and name HA) (resid 111 and name HN) 4.0 2.2 1.0	!#A 33  3.18e+05
assign (resid 110 and name HB#) (resid 111 and name HN) 4.0 2.2 1.0	!#A 39  9.29e+04
assign (resid 110 and name HN) (resid 111 and name HN) 3.0 1.2 0.5	!#A 44  1.34e+05

!I111
assign (resid 111 and name HN) (resid 111 and name HD1#) 4.0 2.2 1.5	!#A 36  1.27e+05
assign (resid 111 and name HG1#) (resid 111 and name HN) 4.0 2.2 1.0	!#A 37  8.02e+04
assign (resid 111 and name HG2#) (resid 111 and name HN) 4.0 2.2 1.5	!#A 38  9.06e+04
assign (resid 111 and name HG1#) (resid 112 and name HN) 4.0 2.2 1.0	!#A 15  2.22e+05
assign (resid 111 and name HD1#) (resid 112 and name HN) 4.0 2.2 1.5	!#A 17  1.27e+05
assign (resid 111 and name HG2#) (resid 114 and name HE1) 4.0 2.2 2.5	!#A 1  1.20e+05

!C112
assign (resid 112 and name HN) (resid 112 and name HA) 3.0 1.2 0.5	!#A 14  2.42e+05
assign (resid 112 and name HB2) (resid 113 and name HN) 4.0 2.2 1.0	!#A 3  8.44e+04
assign (resid 112 and name HB1) (resid 113 and name HN) 4.0 2.2 1.0	!#A 4  1.64e+05

!S113
assign (resid 113 and name HN) (resid 113 and name HA) 4.0 2.2 1.0	!#A 2  3.23e+05
assign (resid 113 and name HN) (resid 113 and name HB#) 3.0 1.2 0.5     !new3
assign (resid 113 and name HN) (resid 112 and name HA) 3.0 1.2 0.5      !new3

!W114
assign (resid 114 and name HN) (resid 113 and name HA) 3.0 1.2 0.5 !new3
assign (resid 114 and name HN) (resid 113 and name HB#) 4.0 2.2 1.0 !new3

!N115
assign (resid 115 and name HN) (resid 114 and name HA) 3.0 1.2 0.5 !new3
assign (resid 115 and name HN) (resid 115 and name HA) 4.0 2.2 1.0 !new3
assign (resid 115 and name HN) (resid 114 and name HD1) 4.0 2.2 1.0 !new3


!V116
assign (resid 116 and name HN) (resid 116 and name HA) 4.0 2.2 1.0 !new3
assign (resid 116 and name HN) (resid 116 and name HB) 4.0 2.2 1.0 !new3
assign (resid 116 and name HN) (resid 116 and name HG*) 3.0 1.2 0.8 !new3
assign (resid 116 and name HN) (resid 115 and name HA) 3.0 1.2 0.5 !new3
assign (resid 116 and name HN) (resid 117 and name HN) 4.0 2.2 1.0 !new3


!D117
assign (resid 117 and name HN) (resid 117 and name HA) 4.0 2.2 1.0 !new3
assign (resid 117 and name HN) (resid 117 and name HB#) 4.0 2.2 1.0 !new3
assign (resid 117 and name HN) (resid 116 and name HA) 3.0 1.2 0.5 !new3
assign (resid 117 and name HN) (resid 116 and name HG*) 3.0 1.2 0.8 !new3

!G118


!P106
assign (resid 106 and name HB1) (resid 106 and name HA) 3.0 1.2 0.3	!#A 46  2.41e+05

!A107

!T108
assign (resid 108 and name HA) (resid 108 and name HG2#) 2.5 0.7 0.7	!#A 40  6.53e+05
assign (resid 108 and name HG2#) (resid 110 and name HE#) 4.0 2.2 1.5	!#A 55  8.15e+04

!L109
assign (resid 109 and name HA) (resid 109 and name HB#) 3.0 1.2 0.3	!#A 35  4.87e+05 hb1
assign (resid 109 and name HA) (resid 109 and name HG) 3.0 1.2 0.6	!#A 37  3.25e+05
assign (resid 109 and name HA) (resid 109 and name HD1#) 4.0 2.2 1.5	!#A 38  2.72e+05
assign (resid 109 and name HA) (resid 109 and name HD2#) 2.5 0.7 0.7	!#A 39  7.19e+05

!K110
assign (resid 110 and name HA) (resid 110 and name HB#) 3.0 1.2 0.3	!#A 26  3.67e+05
assign (resid 110 and name HA) (resid 110 and name HD#) 4.0 2.2 1.0	!#A 27  3.10e+05
assign (resid 110 and name HA) (resid 110 and name HG#) 4.0 2.2 1.0	!#A 28  2.03e+05
assign (resid 110 and name HB#) (resid 110 and name HE#) 4.0 2.2 1.0	!#A 48  1.13e+05
assign (resid 110 and name HG#) (resid 110 and name HE#) 4.0 2.2 1.0	!#A 50  1.48e+05 !hg1
assign (resid 110 and name HD#) (resid 110 and name HB#) 4.0 2.2 1.0	!#A 59  2.00e+05

!I111
assign (resid 111 and name HD1#) (resid 112 and name HA) 4.0 2.2 1.5	!#A 13  2.43e+05
assign (resid 111 and name HG1#) (resid 112 and name HA) 4.0 2.2 2.0	!#A 15  6.86e+04 hg12
assign (resid 116 and name HG*) (resid 113 and name HB#) 3.0 1.2 0.8 !new3
assign (resid 116 and name HG*) (resid 113 and name HA) 4.0 2.2 1.5 !new3
assign (resid 116 and name HG*) (resid 114 and name HZ2) 4.0 2.2 2.5 !new3
assign (resid 116 and name HG*) (resid 114 and name HZ3) 4.0 2.2 2.5 !new3
assign (resid 116 and name HG*) (resid 114 and name HB#) 4.0 2.2 1.5 !new3

!C112

!S113
assign (resid 113 and name HA) (resid 113 and name HB#) 3.0 1.2 0.5  !new3

!W114
assign (resid 114 and name HA) (resid 114 and name HD1) 4.0 2.2 1.0	!#A 1  3.04e+05
assign (resid 114 and name HB#) (resid 114 and name HD1) 4.0 2.2 1.0	!#A 2  6.94e+04
assign (resid 114 and name HB#) (resid 114 and name HE3) 4.0 2.2 1.0	!#A 3  1.03e+05
assign (resid 114 and name HA) (resid 114 and name HE3) 4.0 2.2 1.0	!#A 4  6.42e+04
assign (resid 114 and name HB#) (resid 114 and name HE3) 4.0 2.2 1.0	!#A 5  9.44e+04
assign (resid 114 and name HA) (resid 114 and name HB2) 4.0 2.2 1.0	!#A 17  1.49e+05
assign (resid 114 and name HA) (resid 114 and name HB1) 4.0 2.2 1.0	!#A 18  7.82e+04

!N115
assign (resid 115 and name HA) (resid 115 and name HB#) 3.0 1.2 0.5 !new3

!V116
assign (resid 116 and name HA) (resid 116 and name HB) 3.0 1.2 0.5 !new3
assign (resid 116 and name HA) (resid 116 and name HG*) 3.0 1.2 0.8 !new3

!D117

!G118


!between hTRX and Ref-1 peptide
!EDIT_HISTORY
!	A(46)  internoe.pck   Fri Oct 20 15:08:50 1995


!M1

!V2

!K3

!Q4

!I5

!E6

!S7

!K8

!T9

!A10

!F11

!Q12

!E13

!A14

!L15

!D16

!A17

!A18

!G19

!D20

!K21

!L22

!V23

!V24

!V25

!D26

!F27

!S28

!A29
assign (resid 29 and name HB#) (resid 114 and name HZ2) 4.0 2.2 1.5     !new2 

!T30

!W31

!C32

!G33

!P34
assign (resid 34 and name HG#) ((resid 110 and name HA) 
          or (resid 112 and name HB1)) 4.0 2.2 1.0	!#A 10  2.38e+05
assign (resid 34 and name HB1) ((resid 110 and name HA) 
           or (resid 112 and name HB1)) 4.0 2.2 1.0	!#A 1  2.74e+05

!A35

!K36

!M37

!I38

!K39

!P40

!F41

!F42

!H43

!S44

!L45

!S46

!E47

!K48

!Y49

!S50

!N51

!V52

!I53

!F54

!L55

!E56

!V57

!D58

!V59
assign (resid 59 and name HG1#) (resid 114 and name HZ2) 3.0 1.2 0.8	!#A 43  5.56e+05
assign (resid 59 and name HG1#) (resid 114 and name HH2) 3.0 1.2 0.8	!#A 44  7.13e+05
assign (resid 59 and name HG1#) (resid 114 and name HZ3) 4.0 2.2 1.5	!#A 45  4.16e+05
assign (resid 59 and name HG2#) (resid 114 and name HZ2) 4.0 2.2 1.5	!#A 30  2.30e+05
assign (resid 59 and name HG2#) (resid 114 and name HH2) 4.0 2.2 1.5	!#A 31  2.26e+05

!D60

!D61

!A62

!Q63

!D64

!V65

!A66
assign (resid 66 and name hb#) (resid 114 and name hz3) 4.0 2.2 2.5

!S67

!E68

!A69

!E70

!V71
assign (resid 71 and name HG1#) (resid 114 and name HZ2) 4.0 2.2 1.5	!#A 26  2.26e+05
assign (resid 71 and name HG1#) (resid 114 and name HE3) 4.0 2.2 1.5	!#A 27  5.20e+05
assign (resid 71 and name HG1#) (resid 114 and name HZ3) 4.0 2.2 1.5	!#A 28  4.22e+05
assign (resid 71 and name HG2#) (resid 114 and name HE3) 4.0 2.2 2.5	!#A 33  3.07e+05
assign (resid 71 and name HG2#) (resid 114 and name HZ3) 4.0 2.2 1.5	!#A 34  2.88e+05
assign (resid 71 and name HB) (resid 114 and name HZ3) 4.0 2.2 2.0	!#A 4  1.90e+05
assign (resid 71 and name HB) (resid 114 and name HE3) 4.0 2.2 1.0	!#A 3  1.71e+05

!K72
assign (resid 72 and name ha) (resid 114 and name he3) 4.0 1.0 10.0
assign (resid 72 and name ha) (resid 114 and name hz3) 5.0 1.0 50.0
assign (resid 72 and name ha) (resid 114 and name hb#) 5.0 1.0 50.0
assign (resid 72 and name ha) (resid 114 and name hd1) 5.0 1.0 50.0

!A73
assign (resid 73 and name HB#) (resid 111 and name HG1#) 3.0 1.2 1.3	!#A 18  8.75e+05 hg11
assign (resid 73 and name HB#) (resid 111 and name HD1#) 3.0 1.2 1.3	!#A 21  1.20e+06
assign (resid 73 and name HB#) (resid 111 and name HG2#) 2.5 0.7 1.2	!#A 22  2.22e+06
assign (resid 73 and name HA) (resid 111 and name HG2#) 4.0 2.2 1.5	!#A 7  -2.03e+05
assign (resid 73 and name HB#) (resid 113 and name HB#) 4.0 2.2 1.5 !new3
assign (resid 73 and name HB#) (resid 113 and name HA) 3.0 1.2 1.0 !new3
assign (resid 73 and name HA) (resid 113 and name HA) 4.0 2.2 1.0      !new3
assign (resid 73 and name HA) (resid 114 and name HB#) 4.0 2.2 1.0      !new2

!T74
assign (resid 74 and name HG2#) (resid 114 and name HZ2) 4.0 2.2 1.5	!#A 39  2.84e+05
assign (resid 74 and name HG2#) (resid 114 and name HB#) 4.0 2.2 1.5	!#A 54  3.04e+05 hb2
assign (resid 74 and name HG2#) (resid 114 and name HZ3) 4.0 2.2 1.5	!#A 40  1.79e+05
assign (resid 74 and name hn) (resid 112 and name hn) 4.0 2.2 1.0
assign (resid 74 and name HG2#) (resid 114 and name HA) 4.0 2.2 1.5	!new2 41  2.07e+05

!P75

!T76

!F77

!Q78

!F79

!F80

!K81

!K82

!G83

!Q84

!K85

!V86

!G87

!E88

!F89

!S90
assign (resid 90 and name HB2) (resid 111 and name HD1#) 4.0 2.2 1.5	!#A 11  4.69e+05
assign (resid 90 and name HB2) (resid 111 and name HG2#) 4.0 2.2 1.5	!#A 12  4.96e+05
assign (resid 90 and name HB1) (resid 111 and name HD1#) 3.0 1.2 1.2	!#A 13  6.05e+05
assign (resid 90 and name HB1) (resid 111 and name HG2#) 4.0 2.2 1.5	!#A 14  3.98e+05

!G91
assign (resid 91 and name HN) (resid 111 and name HD1#) 4.0 2.2 1.0     !new2
assign (resid 91 and name HN) (resid 111 and name HA) 4.0 2.2 1.0       !new2
assign (resid 91 and name HA2) (resid 111 and name HD1#) 3.0 1.2 0.8	!#A 23  -2.31e+05
assign (resid 91 and name HA1) (resid 111 and name HD1#) 4.0 2.2 1.5	!#A 25  -2.32e+05
assign (resid 91 and name HA2) (resid 111 and name HG1#) 3.0 1.2 0.8    !new2

!A92
assign (resid 92 and name HB#) (resid 110 and name HB#) 3.0 1.2 0.8	!#A 47  5.57e+05
assign (resid 92 and name HB#) (resid 110 and name HA) 4.0 2.2 1.5	!#A 50  3.91e+05
assign (resid 92 and name HB#) (resid 110 and name HG#) 3.0 1.2 0.8	!#A 52  5.22e+05
assign (resid 92 and name HN) (resid 111 and name HD1#) 4.0 2.2 1.5    !new2
assign (resid 92 and name HB#) (resid 111 and name HD1#) 4.0 2.2 1.5	!#A 49  2.61e+05
assign (resid 92 and name HN) (resid 110 and name HB#) 2.5 0.7 0.5     !new2
assign (resid 92 and name HB#) (resid 111 and name HG1#) 4.0 2.2 1.5	!#A 53  6.03e+05

!N93

!K94

!E95

!K96

!L97

!E98

!A99

!T100

!I101

!N102

!E103

!L104

!V105

!P106

!A107

!T108

!L109

!K110

!I111

!C112

!S113

!W114

!N115

!V116

!D117

!G118

!H-bonds within hTRX

assign (resid 26 and name od1) (resid 28 and name hg) 1.8 0.3 0.7
assign (resid 26 and name od1) (resid 28 and name og) 2.8 0.4 0.7

assign (resid 60 and name od#) (resid 31 and name he1) 1.8 0.3 0.7
assign (resid 60 and name od#) (resid 31 and name ne1) 2.8 0.4 0.7

assign (resid 56 and name oe#) (resid 39 and name hz#) 2.8 0.4 0.7
assign (resid 56 and name oe#) (resid 39 and name nz) 1.8 0.3 0.7

assign (resid    3 and   name O    )(resid   56 and   name N    ) 2.8 0.4 0.7
assign (resid    3 and   name O    )(resid   56 and   name HN   ) 1.8 0.3 0.7
assign (resid   26 and   name O    )(resid   57 and   name N    ) 2.8 0.4 0.7
assign (resid   26 and   name O    )(resid   57 and   name HN   ) 1.8 0.3 0.7
assign (resid   55 and  name O    )(resid   26 and  name N    ) 2.8 0.4 0.7
assign (resid   55 and  name O    )(resid   26 and  name HN   ) 1.8 0.3 0.7
assign (resid   53 and  name O    )(resid   24 and  name N    ) 2.8 0.4 0.7
assign (resid   53 and  name O    )(resid   24 and  name HN   ) 1.8 0.3 0.7
assign (resid   80 and  name O    )(resid   23 and  name N    ) 2.8 0.4 0.8
assign (resid   80 and  name O    )(resid   23 and  name HN   ) 1.8 0.3 0.8
assign (resid   23 and  name O    )(resid   80 and  name N    ) 2.8 0.4 0.7
assign (resid   23 and  name O    )(resid   80 and  name HN   ) 1.8 0.3 0.7
assign (resid   25 and  name O    )(resid   78 and  name N    ) 2.8 0.4 0.7
assign (resid   25 and  name O    )(resid   78 and  name HN   ) 1.8 0.3 0.7
assign (resid   78 and  name O    )(resid   25 and  name N    ) 2.8 0.4 0.7
assign (resid   78 and  name O    )(resid   25 and  name HN   ) 1.8 0.3 0.7
assign (resid   81 and  name O    )(resid   84 and  name N    ) 2.8 0.4 0.7
assign (resid   81 and  name O    )(resid   84 and  name HN   ) 1.8 0.3 0.7
assign (resid   84 and  name O    )(resid   81 and  name N    ) 2.8 0.4 0.7
assign (resid   84 and  name O    )(resid   81 and  name HN   ) 1.8 0.3 0.7
assign (resid   87 and  name O    )(resid   79 and  name N    ) 2.8 0.4 0.7
assign (resid   87 and  name O    )(resid   79 and  name HN   ) 1.8 0.3 0.7
assign (resid   79 and  name O    )(resid   86 and  name N    ) 2.8 0.4 0.7
assign (resid   79 and  name O    )(resid   86 and  name HN   ) 1.8 0.3 0.7
assign (resid   10 and  name O    )(resid   14 and  name N    ) 2.8 0.4 0.7
assign (resid   10 and  name O    )(resid   14 and  name HN   ) 1.8 0.3 0.7
assign (resid   96 and  name O    )(resid  100 and  name N    ) 2.8 0.4 0.7
assign (resid   96 and  name O    )(resid  100 and  name HN   ) 1.8 0.3 0.7
assign (resid   98 and  name O    )(resid  102 and  name N    ) 2.8 0.4 0.7
assign (resid   98 and  name O    )(resid  102 and  name HN   ) 1.8 0.3 0.7


(B)  Torsion angle restraints
!remark phi angle constraints

  !!    v2
 assign (resid  1  and name c ) (resid  2  and name n ) 
        (resid  2  and name ca) (resid  2  and name c )   1.0  -125.0 25.0 2
  !!    k3
 assign (resid  2  and name c ) (resid  3  and name n ) 
        (resid  3  and name ca) (resid  3  and name c )   1.0  -152.0 20.0 2
  !!    q4
 assign (resid  3  and name c ) (resid  4  and name n ) 
        (resid  4  and name ca) (resid  4  and name c )   1.0  -95.0 20.0 2
  !!    i5
 assign (resid  4  and name c ) (resid  5  and name n ) 
        (resid  5  and name ca) (resid  5  and name c )   1.0  -105.0 40.0 2
  !!    e6
 assign (resid  5  and name c ) (resid  6  and name n ) 
        (resid  6  and name ca) (resid  6  and name c )   1.0  -92.0 30.0 2
  !!    s7
 assign (resid  6  and name c ) (resid  7  and name n ) 
        (resid  7  and name ca) (resid  7  and name c )  1.0 -158.0 20.0 2
  !!    k8
 assign (resid  7  and name c ) (resid  8  and name n ) 
        (resid  8  and name ca) (resid  8  and name c )   1.0  -60.0 20.0 2
  !!    t9
 assign (resid  8  and name c ) (resid  9  and name n ) 
        (resid  9  and name ca) (resid  9  and name c )   1.0  -58.0 20.0 2
  !!    a10
 assign (resid  9  and name c ) (resid 10 and name n ) 
        (resid  10 and name ca) (resid 10 and name c )   1.0  -62.0 20.0 2
  !!    f11
 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 20.0 2
  !!    q12
 assign (resid 11 and name c ) (resid 12 and name n ) 
        (resid 12 and name ca) (resid 12 and name c )   1.0  -57.0 20.0 2
  !!    e13
 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 20.0 2
  !!    a14
 assign (resid 13 and name c ) (resid 14 and name n ) 
        (resid 14 and name ca) (resid 14 and name c )   1.0  -69.0 20.0 2
  !!    l15
 assign (resid 14 and name c ) (resid 15 and name n ) 
        (resid 15 and name ca) (resid 15 and name c )   1.0  -62.0 20.0 2
  !!    d16
 assign (resid 15 and name c ) (resid 16 and name n ) 
        (resid 16 and name ca) (resid 16 and name c )   1.0  -71.0 20.0 2
  !!    a17
 assign (resid 16 and name c ) (resid 17 and name n ) 
        (resid 17 and name ca) (resid 17 and name c )   1.0  -73.0 10.0 2
  !!    a18
 assign (resid 17 and name c ) (resid 18 and name n ) 
        (resid 18 and name ca) (resid 18 and name c )   1.0  -63.0 10.0 2
  !!    g19
 assign (resid 18 and name c ) (resid 19 and name n ) 
        (resid 19 and name ca) (resid 19 and name c )   1.0  100.0 50.0 2
  !!    d20
 assign (resid 19 and name c ) (resid 20 and name n ) 
        (resid 20 and name ca) (resid 20 and name c )   1.0  -95.0 25.0 2
  !!    k21
 assign (resid 20 and name c ) (resid 21 and name n ) 
        (resid 21 and name ca) (resid 21 and name c )   1.0  -77.0 10.0 2
  !!    l22
 assign (resid 21 and name c ) (resid 22 and name n ) 
        (resid 22 and name ca) (resid 22 and name c )   1.0  -60.0 10.0 2
  !!    v23
 assign (resid 22 and name c ) (resid 23 and name n ) 
        (resid 23 and name ca) (resid 23 and name c )   1.0  -157.0 30.0 2
  !!    v24
 assign (resid 23 and name c ) (resid 24 and name n ) 
        (resid 24 and name ca) (resid 24 and name c )   1.0  -95.0 30.0 2
  !!    v25
 assign (resid 24 and name c ) (resid 25 and name n ) 
        (resid 25 and name ca) (resid 25 and name c )   1.0  -95.0 30.0 2
  !!    d26
 assign (resid 25 and name c ) (resid 26 and name n ) 
        (resid 26 and name ca) (resid 26 and name c )   1.0  -92.0 30.0 2
  !!    f27
 assign (resid 26 and name c ) (resid 27 and name n ) 
        (resid 27 and name ca) (resid 27 and name c )   1.0  -90.0 35.0 2
  !!    s28
 assign (resid 27 and name c ) (resid 28 and name n ) 
        (resid 28 and name ca) (resid 28 and name c )  1.0 -82.0 50.0 2
  !!    a29
 assign (resid 28 and name c ) (resid 29 and name n ) 
        (resid 29 and name ca) (resid 29 and name c )  1.0 -82.0 30.0 2
  !!    t30
 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 40.0 2
  !!    w31
 assign (resid 30 and name c ) (resid 31 and name n ) 
        (resid 31 and name ca) (resid 31 and name c )  1.0 -86.0 40.0 2
  !!    c32
 assign (resid 31 and name c ) (resid 32 and name n ) 
        (resid 32 and name ca) (resid 32 and name c )  1.0 -88.0 60.0 2
  !!    g33
 assign (resid 32 and name c ) (resid 33 and name n ) 
        (resid 33 and name ca) (resid 33 and name c )  1.0 -85.0 60.0 2
  !!    p34
 assign (resid 33 and name c ) (resid 34 and name n ) 
        (resid 34 and name ca) (resid 34 and name c )  1.0 -50.0 40.0 2
  !!    a35
 assign (resid 34 and name c ) (resid 35 and name n ) 
        (resid 35 and name ca) (resid 35 and name c )  1.0 -81.0 20.0 2
  !!    k36
 assign (resid 35 and name c ) (resid 36 and name n ) 
        (resid 36 and name ca) (resid 36 and name c )  1.0 -53.0 30.0 2
  !!    m37
 assign (resid 36 and name c ) (resid 37 and name n ) 
        (resid 37 and name ca) (resid 37 and name c )  1.0 -62.0 20.0 2
  !!    i38
 assign (resid 37 and name c ) (resid 38 and name n ) 
        (resid 38 and name ca) (resid 38 and name c )  1.0 -86.0 20.0 2
  !!    k39
 assign (resid 38 and name c ) (resid 39 and name n ) 
        (resid 39 and name ca) (resid 39 and name c )  1.0 -50.0 60.0 2
  !!    p40
 assign (resid 39 and name c ) (resid 40 and name n ) 
        (resid 40 and name ca) (resid 40 and name c )  1.0 -68.0 20.0 2
  !!    f41
 assign (resid 40 and name c ) (resid 41 and name n ) 
        (resid 41 and name ca) (resid 41 and name c )  1.0 -71.0 50.0 2
  !!    f42
 assign (resid 41 and name c ) (resid 42 and name n ) 
        (resid 42 and name ca) (resid 42 and name c )  1.0 -56.0 30.0 2
  !!    h43
 assign (resid 42 and name c ) (resid 43 and name n ) 
        (resid 43 and name ca) (resid 43 and name c )  1.0 -66.0 20.0 2
  !!    s44
 assign (resid 43 and name c ) (resid 44 and name n ) 
        (resid 44 and name ca) (resid 44 and name c )  1.0 -52.0 30.0 2
  !!    l45
 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 20.0 2
  !!    s46
 assign (resid 45 and name c ) (resid 46 and name n ) 
        (resid 46 and name ca) (resid 46 and name c )  1.0 -58.0 60.0 2
  !!    e47
 assign (resid 46 and name c ) (resid 47 and name n ) 
        (resid 47 and name ca) (resid 47 and name c )  1.0 -86.0 20.0 2
  !!    k48
 assign (resid 47 and name c ) (resid 48 and name n ) 
        (resid 48 and name ca) (resid 48 and name c )   1.0  -87.0 10.0 2
  !!    y49
 assign (resid 48 and name c ) (resid 49 and name n ) 
        (resid 49 and name ca) (resid 49 and name c )   1.0  -120.0 25.0 2
  !!    s50
 assign (resid 49 and name c ) (resid 50 and name n ) 
        (resid 50 and name ca) (resid 50 and name c )   1.0  -65.0 10.0 2
  !!    n51
 assign (resid 50 and name c ) (resid 51 and name n ) 
        (resid 51 and name ca) (resid 51 and name c )   1.0  -96.0 15.0 2
  !!    v52
 assign (resid 51 and name c ) (resid 52 and name n ) 
        (resid 52 and name ca) (resid 52 and name c )   1.0  -101.0 25.0 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  -98.0 25.0 2
  !!    f54
 assign (resid 53 and name c ) (resid 54 and name n ) 
        (resid 54 and name ca) (resid 54 and name c )   1.0  -96.0 25.0 2
  !!    l55
 assign (resid 54 and name c ) (resid 55 and name n ) 
        (resid 55 and name ca) (resid 55 and name c )   1.0  -120.0 25.0 2
  !!    e56
 assign (resid 55 and name c ) (resid 56 and name n ) 
        (resid 56 and name ca) (resid 56 and name c )   1.0  -134.0 30.0 2
  !!    v57
 assign (resid 56 and name c ) (resid 57 and name n ) 
        (resid 57 and name ca) (resid 57 and name c )   1.0  -99.0 35.0 2
  !!    d58
 assign (resid 57 and name c ) (resid 58 and name n ) 
        (resid 58 and name ca) (resid 58 and name c )   1.0  -88.0 20.0 2
  !!    v59
 assign (resid 58 and name c ) (resid 59 and name n ) 
        (resid 59 and name ca) (resid 59 and name c )   1.0  -61.0 60.0 2
  !!    d60
 assign (resid 59 and name c ) (resid 60 and name n ) 
        (resid 60 and name ca) (resid 60 and name c )   1.0  -107.0 25.0 2
  !!    d61
 assign (resid 60 and name c ) (resid 61 and name n ) 
        (resid 61 and name ca) (resid 61 and name c )   1.0  -110.0 20.0 2
  !!    a62
 assign (resid 61 and name c ) (resid 62 and name n ) 
        (resid 62 and name ca) (resid 62 and name c )   1.0  -107.0 20.0 2
  !!    q63
 assign (resid 62 and name c ) (resid 63 and name n ) 
        (resid 63 and name ca) (resid 63 and name c )   1.0  -73.0 40.0 2
  !!    d64
 assign (resid 63 and name c ) (resid 64 and name n ) 
        (resid 64 and name ca) (resid 64 and name c )   1.0 -73.0 10.0 2
  !!    v65
 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 20.0 2
  !!    a66
 assign (resid 65 and name c ) (resid 66 and name n ) 
        (resid 66 and name ca) (resid 66 and name c )   1.0 -71.0 25.0 2
  !!    e67
 assign (resid 66 and name c ) (resid 67 and name n ) 
        (resid 67 and name ca) (resid 67 and name c )   1.0 -66.0 10.0 2
  !!    e68
 assign (resid 67 and name c ) (resid 68 and name n ) 
        (resid 68 and name ca) (resid 68 and name c )   1.0 -63.0 10.0 2
  !!    a69
 assign (resid 68 and name c ) (resid 69 and name n ) 
        (resid 69 and name ca) (resid 69 and name c )   1.0  -85.0 30.0 2
  !!    e70
 assign (resid 69 and name c ) (resid 70 and name n ) 
        (resid 70 and name ca) (resid 70 and name c )   1.0 60.0 30.0 2
  !!    v71
 assign (resid 70 and name c ) (resid 71 and name n ) 
        (resid 71 and name ca) (resid 71 and name c )   1.0  -81.0 20.0 2
  !!    k72
 assign (resid 71 and name c ) (resid 72 and name n ) 
        (resid 72 and name ca) (resid 72 and name c )   1.0  -110.0 25.0 2
  !!    a73
 assign (resid 72 and name c ) (resid 73 and name n ) 
        (resid 73 and name ca) (resid 73 and name c )  1.0 -162.0 25.0 2
  !!    t74
 assign (resid 73 and name c ) (resid 74 and name n )
        (resid 74 and name ca) (resid 74 and name c )  1.0 -120.0 30.0 2
  !!    p75
 assign (resid 74 and name c ) (resid 75 and name n )
        (resid 75 and name ca) (resid 75 and name c )  1.0 -50.0 40.0 2
  !!    t76
 assign (resid 75 and name c ) (resid 76 and name n ) 
        (resid 76 and name ca) (resid 76 and name c )   1.0 -120.0 35.0 2
  !!    f77
 assign (resid 76 and name c ) (resid 77 and name n ) 
        (resid 77 and name ca) (resid 77 and name c )   1.0  -120.0 40.0 2
  !!    q78
 assign (resid 77 and name c ) (resid 78 and name n ) 
        (resid 78 and name ca) (resid 78 and name c )   1.0  -107.0 25.0 2
  !!    f79
 assign (resid 78 and name c ) (resid 79 and name n ) 
        (resid 79 and name ca) (resid 79 and name c )   1.0  -95.0 40.0 2
  !!    f80
 assign (resid 79 and name c ) (resid 80 and name n ) 
        (resid 80 and name ca) (resid 80 and name c )   1.0  -120.0 15.0 2
  !!    k81
 assign (resid 80 and name c ) (resid 81 and name n ) 
        (resid 81 and name ca) (resid 81 and name c )   1.0 -157.0 10.0 2
  !!    k82
 assign (resid 81 and name c ) (resid 82 and name n ) 
        (resid 82 and name ca) (resid 82 and name c )   1.0 60.0 15.0 2
  !!    g83
 assign (resid 82 and name c ) (resid 83 and name n ) 
        (resid 83 and name ca) (resid 83 and name c )   1.0 95.0 30.0 2
  !!    q84
 assign (resid 83 and name c ) (resid 84 and name n ) 
        (resid 84 and name ca) (resid 84 and name c )   1.0  -120.0 20.0 2
  !!    k85
 assign (resid 84 and name c ) (resid 85 and name n ) 
        (resid 85 and name ca) (resid 85 and name c )   1.0  -85.0 30.0 2
  !!    v86
 assign (resid 85 and name c ) (resid 86 and name n ) 
        (resid 86 and name ca) (resid 86 and name c )   1.0  -120.0 15.0 2
  !!    g87
 assign (resid 86 and name c ) (resid 87 and name n )
        (resid 87 and name ca) (resid 87 and name c )   1.0 180.0 40.0 2
  !!    e88
 assign (resid 87 and name c ) (resid 88 and name n ) 
        (resid 88 and name ca) (resid 88 and name c )   1.0 -172.0 10.0 2
  !!    f89
 assign (resid 88 and name c ) (resid 89 and name n )
        (resid 89 and name ca) (resid 89 and name c )   1.0 -174.0 10.0 2
  !!    s90
 assign (resid 89 and name c ) (resid 90 and name n ) 
        (resid 90 and name ca) (resid 90 and name c )   1.0 -100.0 25.0 2
  !!    g91
 assign (resid 90 and name c ) (resid 91 and name n ) 
        (resid 91 and name ca) (resid 91 and name c )   1.0  150.0 40.0 2
  !!    a92
 assign (resid 91 and name c ) (resid 92 and name n ) 
        (resid 92 and name ca) (resid 92 and name c )   1.0  -81.0 40.0 2
  !!    n93
 assign (resid 92 and name c ) (resid 93 and name n ) 
        (resid 93 and name ca) (resid 93 and name c )   1.0 -88.0 30.0 2
  !!    k94
 assign (resid 93 and name c ) (resid 94 and name n ) 
        (resid 94 and name ca) (resid 94 and name c )   1.0 -63.0 10.0 2
  !!    e95
 assign (resid 94 and name c ) (resid 95 and name n ) 
        (resid 95 and name ca) (resid 95 and name c )   1.0 -66.0 25.0 2
  !!    k96
 assign (resid 95 and name c ) (resid 96 and name n ) 
        (resid 96 and name ca) (resid 96 and name c )   1.0  -67.0 25.0 2
  !!    l97
 assign (resid 96 and name c ) (resid 97 and name n ) 
        (resid 97 and name ca) (resid 97 and name c )   1.0 -52.0 10.0 2
  !!    e98
 assign (resid 97 and name c ) (resid 98 and name n ) 
        (resid 98 and name ca) (resid 98 and name c )   1.0 -67.0 10.0 2
  !!    a99
 assign (resid 98 and name c ) (resid 99 and name n ) 
        (resid 99 and name ca) (resid 99 and name c )   1.0 -67.0 20.0 2
  !!    t100
 assign (resid 99 and name c ) (resid 100 and name n ) 
        (resid 100 and name ca) (resid 100 and name c )   1.0 -70.0 10.0 2
  !!    i101
 assign (resid 100 and name c ) (resid 101 and name n ) 
        (resid 101 and name ca) (resid 101 and name c )   1.0  -64.0 30.0 2
  !!    n102
 assign (resid 101 and name c ) (resid 102 and name n ) 
        (resid 102 and name ca) (resid 102 and name c )   1.0 -62.0 30.0 2
  !!    e103
 assign (resid 102 and name c ) (resid 103 and name n ) 
        (resid 103 and name ca) (resid 103 and name c )   1.0 -78.0 10.0 2
  !!    l104
 assign (resid 103 and name c ) (resid 104 and name n ) 
        (resid 104 and name ca) (resid 104 and name c )   1.0 -100.0 20.0 2
  !!    v105
 assign (resid 104 and name c ) (resid 105 and name n ) 
        (resid 105 and name ca) (resid 105 and name c )   1.0  -63.0 10.0 2

!remark psi angles constraints

  !!    m1
 assign (resid 1 and name n ) (resid 1 and name ca) 
        (resid 1 and name c ) (resid 2 and name n )   1.0  180.0 50.0 2
  !!    2
 assign (resid 2 and name n ) (resid 2 and name ca) 
        (resid 2 and name c ) (resid 3 and name n )   1.0  180.0 50.0 2
  !!    k3
 assign (resid 3 and name n ) (resid 3 and name ca) 
        (resid 3 and name c ) (resid 4 and name n )   1.0  120.0 50.0 2
  !!    k3
 assign (resid 3 and name n ) (resid 3 and name ca) 
        (resid 3 and name c ) (resid 4 and name n )   1.0  120.0 50.0 2
  !!    i5
 assign (resid 5 and name n ) (resid 5 and name ca) 
        (resid 5 and name c ) (resid 6 and name n )   1.0  115.0 90.0 2
  !!    e6
 assign (resid 6 and name n ) (resid 6 and name ca) 
        (resid 6 and name c ) (resid 7 and name n )   1.0  -10.0 75.0 2
  !!    s7
 assign (resid 7 and name n ) (resid 7 and name ca) 
        (resid 7 and name c ) (resid 8 and name n )   1.0  -165.0 90.0 2
  !!    k8
 assign (resid 8 and name n ) (resid 8 and name ca) 
        (resid 8 and name c ) (resid 9 and name n )   1.0  -50.0 50.0 2
  !!    t9
 assign (resid 9 and name n ) (resid 9 and name ca) 
        (resid 9 and name c ) (resid 10 and name n )   1.0  -45.0 50.0 2
  !!    a14
 assign (resid 14 and name n ) (resid 14 and name ca) 
        (resid 14 and name c ) (resid 15 and name n )   1.0  0.0 105.0 2
  !!    l15
 assign (resid 15 and name n ) (resid 15 and name ca) 
        (resid 15 and name c ) (resid 16 and name n )   1.0  -30.0 105.0 2
  !!    a17
 assign (resid 17 and name n ) (resid 17 and name ca) 
        (resid 17 and name c ) (resid 18 and name n )   1.0  5.0 60.0 2
  !!    a18
 assign (resid 18 and name n ) (resid 18 and name ca) 
        (resid 18 and name c ) (resid 19 and name n )   1.0  0.0 85.0 2
  !!    g19
 assign (resid 19 and name n ) (resid 19 and name ca) 
        (resid 19 and name c ) (resid 20 and name n )   1.0  -85.0 90.0 2
  !!    d20
 assign (resid 20 and name n ) (resid 20 and name ca) 
        (resid 20 and name c ) (resid 21 and name n )   1.0  0.0 85.0 2
  !!    k21
 assign (resid 21 and name n ) (resid 21 and name ca) 
        (resid 21 and name c ) (resid 22 and name n )   1.0  110.0 85.0 2
  !!    l22
 assign (resid 22 and name n ) (resid 22 and name ca) 
        (resid 22 and name c ) (resid 23 and name n )   1.0  110.0 85.0 2
  !!    v24
 assign (resid 24 and name n ) (resid 24 and name ca) 
        (resid 24 and name c ) (resid 25 and name n )   1.0  115.0 90.0 2
  !!    d26
 assign (resid 26 and name n ) (resid 26 and name ca) 
        (resid 26 and name c ) (resid 27 and name n )   1.0  100.0 155.0 2
  !!    f27
 assign (resid 27 and name n ) (resid 27 and name ca) 
        (resid 27 and name c ) (resid 28 and name n )   1.0  110.0 135.0 2
  !!    s28
 assign (resid 28 and name n ) (resid 28 and name ca) 
        (resid 28 and name c ) (resid 29 and name n )  1.0 180.0 50.0 2
  !!    a29
  !!    g33
 assign (resid 33 and name n ) (resid 33 and name ca) 
        (resid 33 and name c ) (resid 34 and name n )  1.0 -85.0 90.0 2
  !!    p34
 assign (resid 34 and name n ) (resid 34 and name ca) 
        (resid 34 and name c ) (resid 35 and name n )  1.0 -5.0 75.0 2
  !!    a35
 assign (resid 35 and name n ) (resid 35 and name ca) 
        (resid 35 and name c ) (resid 36 and name n )  1.0 -5.0 60.0 2
  !!    k36
 assign (resid 36 and name n ) (resid 36 and name ca) 
        (resid 36 and name c ) (resid 37 and name n )  1.0 -40.0 50.0 2
  !!    m37
 assign (resid 37 and name n ) (resid 37 and name ca) 
        (resid 37 and name c ) (resid 38 and name n )  1.0 85.0 170.0 2
  !!    i38
 assign (resid 38 and name n ) (resid 38 and name ca) 
        (resid 38 and name c ) (resid 39 and name n )  1.0 65.0 130.0 2
  !!    n39
 assign (resid 39 and name n ) (resid 39 and name ca) 
        (resid 39 and name c ) (resid 40 and name n )  1.0 -35.0 50.0 2
  !!    p40
 assign (resid 40 and name n ) (resid 40 and name ca) 
        (resid 40 and name c ) (resid 41 and name n )  1.0 -40.0 50.0 2
  !!    f41
 assign (resid 41 and name n ) (resid 41 and name ca) 
        (resid 41 and name c ) (resid 42 and name n )  1.0 -50.0 50.0 2
  !!    f42
 assign (resid 42 and name n ) (resid 42 and name ca) 
        (resid 42 and name c ) (resid 43 and name n )  1.0 -50.0 50.0 2
  !!    h43
 assign (resid 43 and name n ) (resid 43 and name ca) 
        (resid 43 and name c ) (resid 44 and name n )  1.0 -50.0 50.0 2
  !!    s44
 assign (resid 44 and name n ) (resid 44 and name ca) 
        (resid 44 and name c ) (resid 45 and name n )  1.0 85.0 170.0 2
  !!    l45
 assign (resid 45 and name n ) (resid 45 and name ca) 
        (resid 45 and name c ) (resid 46 and name n )  1.0 -30.0 50.0 2
  !!    s46
 assign (resid 46 and name n ) (resid 46 and name ca) 
        (resid 46 and name c ) (resid 47 and name n )  1.0 -45.0 50.0 2
  !!    e47
 assign (resid 47 and name n ) (resid 47 and name ca) 
        (resid 47 and name c ) (resid 48 and name n )   1.0 -15.0 90.0 2
  !!    k48
 assign (resid 48 and name n ) (resid 48 and name ca) 
        (resid 48 and name c ) (resid 49 and name n )   1.0  -25.0 70.0 2
  !!    v52
 assign (resid 52 and name n ) (resid 52 and name ca) 
        (resid 52 and name c ) (resid 53 and name n )   1.0  140.0 115.0 2
  !!    i53
 assign (resid 53 and name n ) (resid 53 and name ca) 
        (resid 53 and name c ) (resid 54 and name n )   1.0  115.0 90.0 2
  !!    f54
 assign (resid 54 and name n ) (resid 54 and name ca) 
        (resid 54 and name c ) (resid 55 and name n )   1.0  115.0 90.0 2
  !!    l55
 assign (resid 55 and name n ) (resid 55 and name ca) 
        (resid 55 and name c ) (resid 56 and name n )   1.0  110.0 135.0 2
  !!    v57
 assign (resid 57 and name n ) (resid 57 and name ca) 
        (resid 57 and name c ) (resid 58 and name n )   1.0  115.0 90.0 2
  !!    d58 
 assign (resid 58 and name n ) (resid 58 and name ca) 
        (resid 58 and name c ) (resid 59 and name n )   1.0  85.0 90.0 2
  !!    v59
 assign (resid 59 and name n ) (resid 59 and name ca) 
        (resid 59 and name c ) (resid 60 and name n )   1.0  85.0 160.0 2
  !!    d60
 assign (resid 60 and name n ) (resid 60 and name ca) 
        (resid 60 and name c ) (resid 61 and name n )   1.0  -50.0 50.0 2
  !!    d61
 assign (resid 61 and name n ) (resid 61 and name ca) 
        (resid 61 and name c ) (resid 62 and name n )   1.0  0.0 85.0 2
  !!    a62
 assign (resid 62 and name n ) (resid 62 and name ca) 
        (resid 62 and name c ) (resid 63 and name n )   1.0  110.0 135.0 2
  !!    q63
 assign (resid 63 and name n ) (resid 63 and name ca) 
        (resid 63 and name c ) (resid 64 and name n )   1.0  25.0 60.0 2
  !!    d64
 assign (resid 64 and name n ) (resid 64 and name ca) 
        (resid 64 and name c ) (resid 65 and name n )   1.0  -40.0 50.0 2
  !!    66
 assign (resid 66 and name n ) (resid 66 and name ca) 
        (resid 66 and name c ) (resid 67 and name n )   1.0  -40.0 50.0 2
  !!    67
 assign (resid 67 and name n ) (resid 67 and name ca) 
        (resid 67 and name c ) (resid 68 and name n )   1.0  -60.0 50.0 2
  !!    e68
 assign (resid 68 and name n ) (resid 68 and name ca) 
        (resid 68 and name c ) (resid 69 and name n )   1.0  0.0 50.0 2
  !!    a69
 assign (resid 69 and name n ) (resid 69 and name ca) 
        (resid 69 and name c ) (resid 70 and name n )   1.0  0.0 50.0 2
  !!    e70
 assign (resid 70 and name n ) (resid 70 and name ca) 
        (resid 70 and name c ) (resid 71 and name n )   1.0  50.0 50.0 2
  !!    v71
 assign (resid 71 and name n ) (resid 71 and name ca) 
        (resid 71 and name c ) (resid 72 and name n )   1.0  115.0 50.0 2
  !!    k72
 assign (resid 72 and name n ) (resid 72 and name ca) 
        (resid 72 and name c ) (resid 73 and name n )   1.0  -20.0 65.0 2
  !!    t76
 assign (resid 76 and name n ) (resid 76 and name ca) 
        (resid 76 and name c ) (resid 77 and name n )   1.0  140.0 115.0 2
  !!    f77
 assign (resid 77 and name n ) (resid 77 and name ca) 
        (resid 77 and name c ) (resid 78 and name n )   1.0  120.0 75.0 2
  !!    q78
 assign (resid 78 and name n ) (resid 78 and name ca) 
        (resid 78 and name c ) (resid 79 and name n )   1.0  120.0 75.0 2
  !!    f79
 assign (resid 79 and name n ) (resid 79 and name ca) 
        (resid 79 and name c ) (resid 80 and name n )   1.0  130.0 75.0 2
  !!    f80
 assign (resid 80 and name n ) (resid 80 and name ca) 
        (resid 80 and name c ) (resid 81 and name n )   1.0  125.0 80.0 2
  !!    k81
 assign (resid 81 and name n ) (resid 81 and name ca) 
        (resid 81 and name c ) (resid 82 and name n )   1.0  135.0 120.0 2
  !!    k85
 assign (resid 85 and name n ) (resid 85 and name ca) 
        (resid 85 and name c ) (resid 86 and name n )   1.0  110.0 85.0 2
  !!    v86
 assign (resid 86 and name n ) (resid 86 and name ca) 
        (resid 86 and name c ) (resid 87 and name n )   1.0  -15.0 90.0 2
  !!    g87
 assign (resid 87 and name n ) (resid 87 and name ca) 
        (resid 87 and name c ) (resid 88 and name n )   1.0  150.0 50.0 2
  !!    e88
 assign (resid 88 and name n ) (resid 88 and name ca) 
        (resid 88 and name c ) (resid 89 and name n )   1.0  -175.0 60.0 2
  !!    f89
 assign (resid 89 and name n ) (resid 89 and name ca) 
        (resid 89 and name c ) (resid 90 and name n )   1.0  110.0 135.0 2
  !!    s90
 assign (resid 90 and name n ) (resid 90 and name ca) 
        (resid 90 and name c ) (resid 91 and name n )   1.0  165.0 50.0 2
  !!    g91
 assign (resid 91 and name n ) (resid 91 and name ca) 
        (resid 91 and name c ) (resid 92 and name n )   1.0  95.0 90.0 2
  !!    a92
 assign (resid 92 and name n ) (resid 92 and name ca) 
        (resid 92 and name c ) (resid 93 and name n )   1.0  110.0 85.0 2
  !!    n93
 assign (resid 93 and name n ) (resid 93 and name ca) 
        (resid 93 and name c ) (resid 94 and name n )   1.0  80.0 50.0 2
  !!    k94
 assign (resid 94 and name n ) (resid 94 and name ca) 
        (resid 94 and name c ) (resid 95 and name n )   1.0  -15.0 80.0 2
  !!    e95
 assign (resid 95 and name n ) (resid 95 and name ca) 
        (resid 95 and name c ) (resid 96 and name n )   1.0  0.0 85.0 2
  !!    k96
 assign (resid 96 and name n ) (resid 96 and name ca) 
        (resid 96 and name c ) (resid 97 and name n )   1.0  -25.0 70.0 2
  !!    e98
 assign (resid 98 and name n ) (resid 98 and name ca) 
        (resid 98 and name c ) (resid 99 and name n )   1.0  0.0 105.0 2
  !!    i101
 assign (resid 101 and name n ) (resid 101 and name ca) 
        (resid 101 and name c ) (resid 102 and name n )   1.0  -95.0 70.0 2


!remark chi angles constraints

  !!   v2
 assign (resid 2 and name n ) (resid 2 and name ca) 
        (resid 2 and name cb) (resid 2 and name cg1)   1.0   180.0 20.0 2
  !!   k3
 assign (resid 3 and name n ) (resid 3 and name ca) 
        (resid 3 and name cb) (resid 3 and name cg)  1.0 180.0 20.0 2
  !!   q4
 assign (resid 4 and name n ) (resid 4 and name ca) 
        (resid 4 and name cb) (resid 4 and name cg)  1.0 180.0 20.0 2 
  !!   i5
 assign (resid 5 and name n ) (resid 5 and name ca) 
        (resid 5 and name cb) (resid 5 and name cg1)   1.0   -60.0 20.0 2
  !!   e6
 assign (resid 6 and name n ) (resid 6 and name ca)
        (resid 6 and name cb) (resid 6 and name cg)   1.0   -60.0 20.0 2
  !!   s7
 assign (resid 7 and name n ) (resid 7 and name ca) 
        (resid 7 and name cb) (resid 7 and name og)   1.0   60.0 20.0 2
  !!   k8
 assign (resid 8 and name n ) (resid 8 and name ca) 
        (resid 8 and name cb) (resid 8 and name cg)   1.0   180.0 20.0 2
  !!   t9
 assign (resid 9 and name n ) (resid 9 and name ca) 
        (resid 9 and name cb) (resid 9 and name og1)   1.0   -60.0 20.0 2
  !!   f11
 assign (resid 11 and name n ) (resid 11 and name ca) 
        (resid 11 and name cb) (resid 11 and name cg)   1.0   180.0 20.0 2
  !!   e13
 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
  !!   l15
 assign (resid 15 and name n ) (resid 15 and name ca) 
        (resid 15 and name cb) (resid 15 and name cg)  1.0 -60.0 20.0 2
  !!   d16
 assign (resid 16 and name n ) (resid 16 and name ca) 
        (resid 16 and name cb) (resid 16 and name cg)  1.0 -180.0 20.0 2
  !!   d20
 assign (resid 20 and name n ) (resid 20 and name ca) 
        (resid 20 and name cb) (resid 20 and name cg)  1.0 -120.0 135.0 2
  !!   k21
 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
  !!   v23
 assign (resid 23 and name n ) (resid 23 and name ca) 
        (resid 23 and name cb) (resid 23 and name cg1)   1.0   180.0 20.0 2
  !!   v24
 assign (resid 24 and name n ) (resid 24 and name ca) 
        (resid 24 and name cb) (resid 24 and name cg1)   1.0   180.0 20.0 2
  !!   v25
 assign (resid 25 and name n ) (resid 25 and name ca) 
        (resid 25 and name cb) (resid 25 and name cg1)   1.0   180.0 20.0 2
  !!   d26
 assign (resid 26 and name n ) (resid 26 and name ca) 
        (resid 26 and name cb) (resid 26 and name cg)  1.0 180.0 20.0 2
  !!   f27
 assign (resid 27 and name n ) (resid 27 and name ca) 
        (resid 27 and name cb) (resid 27 and name cg)  1.0 -60.0 20.0 2
  !!   s28
 assign (resid 28 and name n ) (resid 28 and name ca)
        (resid 28 and name cb) (resid 28 and name og)  1.0 -60.0 20.0 2
  !!   t30
 assign (resid 30 and name n ) (resid 30 and name ca) 
        (resid 30 and name cb) (resid 30 and name og1)  1.0 180.0 20.0 2
  !!   w31
 assign (resid 31 and name n ) (resid 31 and name ca) 
        (resid 31 and name cb) (resid 31 and name cg)  1.0 60.0 20.0 2
  !!   c32
 assign (resid 32 and name n ) (resid 32 and name ca) 
        (resid 32 and name cb) (resid 32 and name sg)  1.0 180.0 20.0 2
  !!   p34
 assign (resid 34 and name n ) (resid 34 and name ca) 
        (resid 34 and name cb) (resid 34 and name cg)  1.0 0.0 20.0 2
  !!   a35
   !!   k36
 assign (resid 36 and name n ) (resid 36 and name ca) 
        (resid 36 and name cb) (resid 36 and name cg)  1.0 180.0 20.0 2
  !!   i38
 assign (resid 38 and name n ) (resid 38 and name ca) 
        (resid 38 and name cb) (resid 38 and name cg1)  1.0 -60.0 20.0 2
  !!   k39
 assign (resid 39 and name n ) (resid 39 and name ca)
        (resid 39 and name cb) (resid 39 and name cg)  1.0 60.0 20.0 2
  !!   p40
 assign (resid 40 and name n ) (resid 40 and name ca) 
        (resid 40 and name cb) (resid 40 and name cg)  1.0 0.0 20.0 2
  !!   f41
 assign (resid 41 and name n ) (resid 41 and name ca) 
        (resid 41 and name cb) (resid 41 and name cg)  1.0 -60.0 20.0 2
  !!   f42
 assign (resid 42 and name n ) (resid 42 and name ca) 
        (resid 42 and name cb) (resid 42 and name cg)  1.0 180.0 20.0 2
  !!   h43
 assign (resid 43 and name n ) (resid 43 and name ca) 
        (resid 43 and name cb) (resid 43 and name cg)  1.0 180.0 25.0 2
  !!   l45
 assign (resid 45 and name n ) (resid 45 and name ca) 
        (resid 45 and name cb) (resid 45 and name cg)  1.0 -60.0 20.0 2
  !!   s46
 assign (resid 46 and name n ) (resid 46 and name ca) 
        (resid 46 and name cb) (resid 46 and name og)  1.0 -60.0 20.0 2
  !!   e47
 assign (resid 47 and name n ) (resid 47 and name ca) 
        (resid 47 and name cb) (resid 47 and name cg)  1.0 -60.0 20.0 2
  !!   k48
 assign (resid 48 and name n ) (resid 48 and name ca) 
        (resid 48 and name cb) (resid 48 and name cg)  1.0 180.0 20.0 2
  !!   y49
 assign (resid 49 and name n ) (resid 49 and name ca) 
        (resid 49 and name cb) (resid 49 and name cg)  1.0 -60.0 20.0 2
  !!   s50
 assign (resid 50 and name n ) (resid 50 and name ca) 
        (resid 50 and name cb) (resid 50 and name og)  1.0 60.0 20.0 2
  !!   n51
 assign (resid 51 and name n ) (resid 51 and name ca) 
        (resid 51 and name cb) (resid 51 and name cg)  1.0 -170.0 25.0 2
  !!   v52
 assign (resid 52 and name n ) (resid 52 and name ca) 
        (resid 52 and name cb) (resid 52 and name cg1)  1.0 180.0 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
  !!   f54
 assign (resid 54 and name n ) (resid 54 and name ca) 
        (resid 54 and name cb) (resid 54 and name cg)  1.0 -60.0 20.0 2
  !!   l55
 assign (resid 55 and name n ) (resid 55 and name ca) 
        (resid 55 and name cb) (resid 55 and name cg)  1.0 -60.0 20.0 2
  !!   v57
 assign (resid 57 and name n ) (resid 57 and name ca) 
        (resid 57 and name cb) (resid 57 and name cg1)  1.0 180.0 20.0 2 
  !!   d58
 assign (resid 58 and name n ) (resid 58 and name ca) 
        (resid 58 and name cb) (resid 58 and name cg)  1.0 180.0 20.0 2
  !!   v59
 assign (resid 59 and name n ) (resid 59 and name ca) 
        (resid 59 and name cb) (resid 59 and name cg1)  1.0 -60.0 20.0 2
  !!   d60
 assign (resid 60 and name n ) (resid 60 and name ca) 
        (resid 60 and name cb) (resid 60 and name cg)  1.0 -60.0 20.0 2
  !!   d61
 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
  !!   d64
 assign (resid 64 and name n ) (resid 64 and name ca) 
        (resid 64 and name cb) (resid 64 and name cg)  1.0 60.0 20.0 2
  !!   v65
 assign (resid 65 and name n ) (resid 65 and name ca) 
        (resid 65 and name cb) (resid 65 and name cg1)  1.0 180.0 20.0 2
  !!   e68
 assign (resid 68 and name n ) (resid 68 and name ca) 
        (resid 68 and name cb) (resid 68 and name cg)  1.0 180.0 20.0 2
  !!   v71
 assign (resid 71 and name n ) (resid 71 and name ca) 
        (resid 71 and name cb) (resid 71 and name cg1)  1.0 180.0 20.0 2
  !!   k72
 assign (resid 72 and name n ) (resid 72 and name ca) 
        (resid 72 and name cb) (resid 72 and name cg)  1.0 -60.0 20.0 2
  !!   t74
 assign (resid 74 and name n ) (resid 74 and name ca) 
        (resid 74 and name cb) (resid 74 and name og1)  1.0 60.0 20.0 2
  !!   p75
 assign (resid 75 and name n ) (resid 75 and name ca) 
        (resid 75 and name cb) (resid 75 and name cg)  1.0 0.0 25.0 2
  !!   t76
 assign (resid 76 and name n ) (resid 76 and name ca) 
        (resid 76 and name cb) (resid 76 and name og1)  1.0 -60.0 20.0 2
  !!   f77
 assign (resid 77 and name n ) (resid 77 and name ca) 
        (resid 77 and name cb) (resid 77 and name cg)  1.0 -60.0 20.0 2
  !!   n78
 assign (resid 78 and name n ) (resid 78 and name ca)
        (resid 78 and name cb) (resid 78 and name cg)  1.0 -60.0 20.0 2
  !!   f79
 assign (resid 79 and name n ) (resid 79 and name ca) 
        (resid 79 and name cb) (resid 79 and name cg)  1.0 -60.0 20.0 2
  !!   f80
 assign (resid 80 and name n ) (resid 80 and name ca) 
        (resid 80 and name cb) (resid 80 and name cg)  1.0 -60.0 20.0 2
  !!   k81
 assign (resid 81 and name n ) (resid 81 and name ca) 
        (resid 81 and name cb) (resid 81 and name cg)  1.0 180.0 20.0 2
  !!   k82
 assign (resid 82 and name n ) (resid 82 and name ca)
        (resid 82 and name cb) (resid 82 and name cg)  1.0 -60.0 20.0 2
  !!   n84
 assign (resid 84 and name n ) (resid 84 and name ca)
        (resid 84 and name cb) (resid 84 and name cg)  1.0 -60.0 20.0 2
  !!   k85
 assign (resid 85 and name n ) (resid 85 and name ca) 
        (resid 85 and name cb) (resid 85 and name cg)  1.0 180.0 20.0 2
  !!   v86
 assign (resid 86 and name n ) (resid 86 and name ca) 
        (resid 86 and name cb) (resid 86 and name cg1)  1.0 -60.0 20.0 2
  !!   f89
 assign (resid 89 and name n ) (resid 89 and name ca) 
        (resid 89 and name cb) (resid 89 and name cg)  1.0 60.0 20.0 2
  !!   s90
 assign (resid 90 and name n ) (resid 90 and name ca) 
        (resid 90 and name cb) (resid 90 and name og)  1.0 60.0 20.0 2
  !!   n93
 assign (resid 93 and name n ) (resid 93 and name ca) 
        (resid 93 and name cb) (resid 93 and name cg)  1.0 180.0 20.0 2
  !!  k94
 assign (resid 94 and name n ) (resid 94 and name ca)
        (resid 94 and name cb) (resid 94 and name cg)  1.0 60.0 20.0 2
  !!  e95
 assign (resid 95 and name n ) (resid 95 and name ca)
        (resid 95 and name cb) (resid 95 and name cg)   1.0 -60.0 20.0 2
  !!  k96
 assign (resid 96 and name n ) (resid 96 and name ca) 
        (resid 96 and name cb) (resid 96 and name cg)  1.0 180.0 20.0 2
  !!  l97
 assign (resid 97 and name n ) (resid 97 and name ca) 
        (resid 97 and name cb) (resid 97 and name cg)  1.0 -60.0 20.0 2
  !!  e98
 assign (resid 98 and name n ) (resid 98 and name ca) 
        (resid 98 and name cb) (resid 98 and name cg)  1.0 180.0 40.0 2
  !!  t100
 assign (resid 100 and name n ) (resid 100 and name ca) 
        (resid 100 and name cb) (resid 100 and name og1)  1.0 -60.0 20.0 2
  !!  i101 
 assign (resid 101 and name n ) (resid 101 and name ca) 
        (resid 101 and name cb) (resid 101 and name cg1)  1.0 -60.0 20.0 2
  !!  n102
 assign (resid 102 and name n ) (resid 102 and name ca) 
        (resid 102 and name cb) (resid 102 and name cg)  1.0 180.0 20.0 2
  !!  e103
 assign (resid 103 and name n ) (resid 103 and name ca) 
        (resid 103 and name cb) (resid 103 and name cg)  1.0 180.0 20.0 2
  !!  l104
 assign (resid 104 and name n ) (resid 104 and name ca) 
        (resid 104 and name cb) (resid 104 and name cg)   1.0 -60.0 20.0 2
  !!  v105
 assign (resid 105 and name n ) (resid 105 and name ca) 
        (resid 105 and name cb) (resid 105 and name cg1)  1.0 60.0 60.0 2

!remark chi2 angles constraints
!!   q4
 assign (resid 4 and name ca) (resid 4 and name cb)
        (resid 4 and name cg) (resid 4 and name cd)   1.0   180.0 20.0 2
!!   i5
 assign (resid 5 and name ca) (resid 5 and name cb)
        (resid 5 and name cg1) (resid 5 and name cd1)   1.0   -60.0 20.0 2
!!   k8
 assign (resid 8 and name ca) (resid 8 and name cb)
        (resid 8 and name cg) (resid 8 and name cd)   1.0   180.0 20.0 2
!!   f11
 assign (resid 11 and name ca) (resid 11 and name cb)
        (resid 11 and name cg) (resid 11 and name cd1)   1.0   90.0 20.0 2
!!   l15
 assign (resid 15 and name ca) (resid 15 and name cb)
        (resid 15 and name cg) (resid 15 and name cd1)   1.0   180.0 20.0 2
!!   k21
 assign (resid 21 and name ca) (resid 21 and name cb)
        (resid 21 and name cg) (resid 21 and name cd)   1.0   180.0 20.0 2
!!   l22
 assign (resid 22 and name ca) (resid 22 and name cb)
        (resid 22 and name cg) (resid 22 and name cd1)   1.0   180.0 20.0 2
!!   f27
 assign (resid 27 and name ca) (resid 27 and name cb)
        (resid 27 and name cg) (resid 27 and name cd1)   1.0   -90.0 20.0 2
!!   k36
 assign (resid 36 and name ca) (resid 36 and name cb)
        (resid 36 and name cg) (resid 36 and name cd)   1.0   180.0 20.0 2
!!   i38
 assign (resid 38 and name ca) (resid 38 and name cb)
        (resid 38 and name cg1) (resid 38 and name cd1)   1.0   180.0 20.0 2
!!   k39
 assign (resid 39 and name ca) (resid 39 and name cb)
        (resid 39 and name cg) (resid 39 and name cd)   1.0   180.0 20.0 2
!!   f41
 assign (resid 41 and name ca) (resid 41 and name cb)
        (resid 41 and name cg) (resid 41 and name cd1)   1.0   -90.0 20.0 2
!!   f42
 assign (resid 42 and name ca) (resid 42 and name cb)
        (resid 42 and name cg) (resid 42 and name cd1)   1.0   90.0 20.0 2
!!   h43
 assign (resid 43 and name ca) (resid 43 and name cb)
        (resid 43 and name cg) (resid 43 and name cd2)   1.0   -60.0 20.0 2
!!   l45
 assign (resid 45 and name ca) (resid 45 and name cb)
        (resid 45 and name cg) (resid 45 and name cd1)   1.0   180.0 20.0 2
!!   y49
 assign (resid 49 and name ca) (resid 49 and name cb)
        (resid 49 and name cg) (resid 49 and name cd1)   1.0   90.0 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  -60.0 20.0 2
!!   f54
 assign (resid 54 and name ca) (resid 54 and name cb)
        (resid 54 and name cg) (resid 54 and name cd1)   1.0   90.0 20.0 2
!!   l55
 assign (resid 55 and name ca) (resid 55 and name cb)
        (resid 55 and name cg) (resid 55 and name cd1)   1.0   60.0 20.0 2
!!   f77
 assign (resid 77 and name ca) (resid 77 and name cb)
        (resid 77 and name cg) (resid 77 and name cd1)   1.0   -90.0 20.0 2
!!   q78
 assign (resid 78 and name ca) (resid 78 and name cb)
        (resid 78 and name cg) (resid 78 and name cd)   1.0   180.0 20.0 2
!!   f79
 assign (resid 79 and name ca) (resid 79 and name cb)
        (resid 79 and name cg) (resid 79 and name cd1)   1.0   -90.0 20.0 2
!!   f80
 assign (resid 80 and name ca) (resid 80 and name cb)
        (resid 80 and name cg) (resid 80 and name cd1)   1.0   -90.0 20.0 2
!!   k82
 assign (resid 82 and name ca) (resid 82 and name cb)
        (resid 82 and name cg) (resid 82 and name cd)   1.0   180.0 20.0 2
!!   k85
 assign (resid 85 and name ca) (resid 85 and name cb)
        (resid 85 and name cg) (resid 85 and name cd)   1.0   180.0 20.0 2
!!   f89
 assign (resid 89 and name ca) (resid 89 and name cb)
        (resid 89 and name cg) (resid 89 and name cd1)   1.0   90.0 20.0 2
!!   k96
 assign (resid 96 and name ca) (resid 96 and name cb)
        (resid 96 and name cg) (resid 96 and name cd)   1.0   180.0 20.0 2
!!   l97
 assign (resid 97 and name ca) (resid 97 and name cb)
        (resid 97 and name cg) (resid 97 and name cd1)   1.0   180.0 20.0 2
!!   i101
 assign (resid 101 and name ca) (resid 101 and name cb)
        (resid 101 and name cg1) (resid 101 and name cd1)   1.0   180.0 20.0 2
!!   l104
 assign (resid 104 and name ca) (resid 104 and name cb)
        (resid 104 and name cg) (resid 104 and name cd1)   1.0   180.0 20.0 2


!remark phi angle constraints

  !!    a107
 assign (resid 106 and name c ) (resid 107 and name n )
        (resid 107 and name ca) (resid 107 and name c )   1.0  -90.0 80.0 2
  !!    t108
 assign (resid  107  and name c ) (resid  108  and name n ) 
        (resid  108  and name ca) (resid  108  and name c )   1.0  -100.0 20.0 2
  !!    l109
 assign (resid  108  and name c ) (resid  109  and name n ) 
        (resid  109  and name ca) (resid  109  and name c )   1.0  -75.0 20.0 2
  !!    k110
 assign (resid  109  and name c ) (resid  110  and name n ) 
        (resid  110  and name ca) (resid  110  and name c )   1.0  -70.0 20. 2
  !!    i111
 assign (resid  110  and name c ) (resid  111  and name n ) 
        (resid  111  and name ca) (resid  111  and name c )   1.0  -130.0 20.0 2
  !!    c112
 assign (resid  111  and name c ) (resid  112  and name n ) 
        (resid  112  and name ca) (resid  112  and name c )  1.0 -90.0 20.0 2 
  !!    s113
 assign (resid  112  and name c ) (resid  113  and name n ) 
        (resid  113  and name ca) (resid  113  and name c )   1.0  -85.0 20.0 2 
  !!    w114
 assign (resid  113  and name c ) (resid  114  and name n ) 
        (resid  114  and name ca) (resid  114  and name c )   1.0  -80.0 20.0 2 
  !!    n115
 assign (resid  114  and name c ) (resid 115 and name n ) 
        (resid  115 and name ca) (resid 115 and name c )   1.0  -50.0 20.0 2
  !!    v116
 assign (resid 115 and name c ) (resid 116 and name n ) 
        (resid 116 and name ca) (resid 116 and name c )   1.0  -60.0 30.0 2
  !!    d117
 assign (resid 116 and name c ) (resid 117 and name n ) 
        (resid 117 and name ca) (resid 117 and name c )   1.0  -60.0 30.0 2
  !!    g118

!remark psi angles constraints

  !!    p106
!  !!    a107
!  !!    t108
assign (resid 108 and name n ) (resid 108 and name ca) 
       (resid 108 and name c ) (resid 109 and name n )   1.0  130.0 40.0 2
   !!    l109
assign (resid 109 and name n ) (resid 109 and name ca) 
       (resid 109 and name c ) (resid 110 and name n )   1.0  -10.0 50.0 2
   !!    k110
 assign (resid 110 and name n ) (resid 110 and name ca) 
        (resid 110 and name c ) (resid 111 and name n )   1.0  -10.0 20.0 2
  !!    i111
 assign (resid 111 and name n ) (resid 111 and name ca) 
        (resid 111 and name c ) (resid 112 and name n )   1.0  130.0 30.0 2
  !!    c112
 assign (resid 112 and name n ) (resid 112 and name ca) 
        (resid 112 and name c ) (resid 113 and name n )   1.0  130.0 20.0 2
  !!    s113
 assign (resid 113 and name n ) (resid 113 and name ca) 
        (resid 113 and name c ) (resid 114 and name n )   1.0  140.0 40.0 2
  !!    w114
 assign (resid 114 and name n ) (resid 114 and name ca) 
        (resid 114 and name c ) (resid 115 and name n )   1.0  -10.0 20.0 2
  !!    n115
assign (resid 115 and name n ) (resid 115 and name ca) 
       (resid 115 and name c ) (resid 116 and name n )   1.0  20.0 30.0 2
  !!    v116
assign (resid 116 and name n ) (resid 116 and name ca) 
       (resid 116 and name c ) (resid 117 and name n )   1.0  140.0 40.0 2
  !!    d117
!remark chi angles constraints

  !!   p106
  !!   a107
  !!   t108
 assign (resid 108 and name n ) (resid 108 and name ca) 
        (resid 108 and name cb) (resid 108 and name cg)  1.0 -60.0 20.0 2 
  !!   l109
 assign (resid 109 and name n ) (resid 109 and name ca) 
        (resid 109 and name cb) (resid 109 and name cg)   1.0   -60.0 20.0 2
  !!   k110
 assign (resid 110 and name n ) (resid 110 and name ca)
        (resid 110 and name cb) (resid 110 and name cg)   1.0   -60.0 20.0 2
  !!   i111
 assign (resid 111 and name n ) (resid 111 and name ca) 
        (resid 111 and name cb) (resid 111 and name cg1)   1.0   -60.0 20.0 2
  !!   c112
 assign (resid 112 and name n ) (resid 112 and name ca) 
        (resid 112 and name cb) (resid 112 and name sg)   1.0   -60.0 20.0 2
  !!   s113
 assign (resid 113 and name n ) (resid 113 and name ca) 
        (resid 113 and name cb) (resid 113 and name og)   1.0   -60.0 20.0 2
  !!   w114
 assign (resid 114 and name n ) (resid 114 and name ca)
        (resid 114 and name cb) (resid 114 and name cg)   1.0  -60.0 20.0 2
  !!   n115
 assign (resid 115 and name n ) (resid 115 and name ca) 
        (resid 115 and name cb) (resid 115 and name cg)  1.0 -60.0 20.0 2

  !!   v116
 assign (resid 116 and name n ) (resid 116 and name ca) 
        (resid 116 and name cb) (resid 116 and name cg)  1.0 -60.0 20.0 2

!remark chi2 angles constraints

!!   l109
 assign (resid 109 and name ca) (resid 109 and name cb)
        (resid 109 and name cg) (resid 109 and name cd1)   1.0   180.0 20.0 2
!!   k110
 assign (resid 110 and name ca) (resid 110 and name cb)
        (resid 110 and name cg) (resid 110 and name cd)   1.0   -60.0 20.0 2
 !!   i111
 assign (resid 111 and name ca) (resid 111 and name cb)
        (resid 111 and name cg1) (resid 111 and name cd1)   1.0   -60.0 20.0 2
 !!    w114
 assign (resid 114 and name ca) (resid 114 and name cb)
        (resid 114 and name cg) (resid 114 and name cd1)  1.0 60.0 15.0 2
 !!  n115
 assign (resid 115 and name ca ) (resid 115 and name cb )
        (resid 115 and name cg) (resid 115 and name od1 )  1.0 180.0 20.0 2

!disulfide
 assign (resid 32 and name ca) (resid 32 and name cb)
        (resid 32 and name sg) (resid 112 and name sg) 1.0 180.0 40.0 2
 assign (resid 32 and name sg) (resid 112 and name sg)
        (resid 112 and name cb) (resid 112 and name ca) 1.0 -90.0 40.0 2
 

!(C) 3JHNa coupling constant restraints

!remark phi angle coupling constants

  !!    v2
  !!    k3
 assign (resid  2  and name c ) (resid  3  and name n ) 
        (resid  3  and name ca) (resid  3  and name c )   7.8 0.5 
  !!    q4
 assign (resid  3  and name c ) (resid  4  and name n ) 
        (resid  4  and name ca) (resid  4  and name c )   8.6 0.5 
  !!    i5
 assign (resid  4  and name c ) (resid  5  and name n )
        (resid  5  and name ca) (resid  5  and name c )   9.2 0.5
  !!    e6
 assign (resid  5  and name c ) (resid  6  and name n ) 
        (resid  6  and name ca) (resid  6  and name c )   8.1 0.5 
  !!    s7
 assign (resid  6  and name c ) (resid  7  and name n ) 
        (resid  7  and name ca) (resid  7  and name c )   7.0 0.5 
  !!    k8
 assign (resid  7  and name c ) (resid  8  and name n )
        (resid  8  and name ca) (resid  8  and name c )   4.1 0.5
  !!    t9
 assign (resid  8  and name c ) (resid  9  and name n ) 
        (resid  9  and name ca) (resid  9  and name c )   3.9 0.5 
  !!    a10
 assign (resid  9  and name c ) (resid  10  and name n )
        (resid  10  and name ca) (resid  10  and name c )   4.3 0.5
  !!    f11
 assign (resid 10 and name c ) (resid 11 and name n ) 
        (resid 11 and name ca) (resid 11 and name c )     4.0 0.5 
  !!    q12
 assign (resid 11 and name c ) (resid 12 and name n ) 
        (resid 12 and name ca) (resid 12 and name c )     3.7 0.5 
  !!    e13
 assign (resid 12 and name c ) (resid 13 and name n ) 
        (resid 13 and name ca) (resid 13 and name c )     3.8 0.5 
  !!    a14
 assign (resid 13 and name c ) (resid 14 and name n ) 
        (resid 14 and name ca) (resid 14 and name c )     5.4 0.5 
  !!    l15
 assign (resid 14 and name c ) (resid 15 and name n ) 
        (resid 15 and name ca) (resid 15 and name c )     4.2 0.5 
  !!    d16
 assign (resid 15 and name c ) (resid 16 and name n ) 
        (resid 16 and name ca) (resid 16 and name c )     5.6 0.5 
  !!    a17
 assign (resid 16 and name c ) (resid 17 and name n ) 
        (resid 17 and name ca) (resid 17 and name c )     5.7 0.5 
  !!    a18
 assign (resid 17 and name c ) (resid 18 and name n ) 
        (resid 18 and name ca) (resid 18 and name c )     4.4 0.5 
  !!    g19
  !!    d20
 assign (resid 19 and name c ) (resid 20 and name n ) 
        (resid 20 and name ca) (resid 20 and name c )     8.4 0.5 
  !!    k21
 assign (resid 20 and name c ) (resid 21 and name n ) 
        (resid 21 and name ca) (resid 21 and name c )     6.6 0.5 
  !!    l22
 assign (resid 21 and name c ) (resid 22 and name n ) 
        (resid 22 and name ca) (resid 22 and name c )     4.1 0.5 
  !!    v23
 assign (resid 22 and name c ) (resid 23 and name n )
        (resid 23 and name ca) (resid 23 and name c )     7.2 0.5
  !!    v24
 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
  !!    v25
  !!    d26
 assign (resid 25 and name c ) (resid 26 and name n ) 
        (resid 26 and name ca) (resid 26 and name c )     8.2 0.5 
  !!    f27
 assign (resid 26 and name c ) (resid 27 and name n ) 
        (resid 27 and name ca) (resid 27 and name c )     7.9 0.5 
  !!    s28
   !!    a29
 assign (resid 28 and name c ) (resid 29 and name n ) 
        (resid 29 and name ca) (resid 29 and name c )     7.1 0.5 
  !!    t30
 assign (resid 29 and name c ) (resid 30 and name n )
        (resid 30 and name ca) (resid 30 and name c )     6.6 0.5
  !!    w31
 assign (resid 30 and name c ) (resid 31 and name n )
        (resid 31 and name ca) (resid 31 and name c )     7.5 0.5
  !!    c32
 assign (resid 31 and name c ) (resid 32 and name n ) 
       (resid 32 and name ca) (resid 32 and name c )     7.8 0.5 
  !!    g33
  !!    p34
  !!    a35
 assign (resid 34 and name c ) (resid 35 and name n )
        (resid 35 and name ca) (resid 35 and name c )     6.9 0.5
  !!    k36
 assign (resid 35 and name c ) (resid 36 and name n )
        (resid 36 and name ca) (resid 36 and name c )     3.3 0.5
  !!    m37
 assign (resid 36 and name c ) (resid 37 and name n ) 
        (resid 37 and name ca) (resid 37 and name c )     4.4 0.5 
  !!    i38
 assign (resid 37 and name c ) (resid 38 and name n ) 
        (resid 38 and name ca) (resid 38 and name c )     7.5 0.5 
  !!    k39
  !!    p40
  !!    f41
 assign (resid 40 and name c ) (resid 41 and name n ) 
        (resid 41 and name ca) (resid 41 and name c )     5.6 0.5 
  !!    f42
 assign (resid 41 and name c ) (resid 42 and name n ) 
        (resid 42 and name ca) (resid 42 and name c )     3.7 0.5 
  !!    h43
 assign (resid 42 and name c ) (resid 43 and name n ) 
        (resid 43 and name ca) (resid 43 and name c )     4.9 0.5 
  !!    s44
 assign (resid 43 and name c ) (resid 44 and name n ) 
        (resid 44 and name ca) (resid 44 and name c )     3.2 0.5 
  !!    l45
 assign (resid 44 and name c ) (resid 45 and name n ) 
        (resid 45 and name ca) (resid 45 and name c )     4.1 0.5 
  !!    s46
 assign (resid 45 and name c ) (resid 46 and name n ) 
        (resid 46 and name ca) (resid 46 and name c )     3.9 0.5 
  !!    e47
 assign (resid 46 and name c ) (resid 47 and name n ) 
        (resid 47 and name ca) (resid 47 and name c )     7.5 0.5 
  !!    k48
 assign (resid 47 and name c ) (resid 48 and name n ) 
        (resid 48 and name ca) (resid 48 and name c )     7.6 0.5 
  !!    y49
 assign (resid 48 and name c ) (resid 49 and name n ) 
        (resid 49 and name ca) (resid 49 and name c )     10.2 0.5 
  !!    s50
 assign (resid 49 and name c ) (resid 50 and name n ) 
        (resid 50 and name ca) (resid 50 and name c )     4.7 0.5 
  !!    n51
 assign (resid 50 and name c ) (resid 51 and name n ) 
        (resid 51 and name ca) (resid 51 and name c )     8.7 0.5 
  !!    v52
 assign (resid 51 and name c ) (resid 52 and name n ) 
        (resid 52 and name ca) (resid 52 and name c )     9.1 0.5 
  !!    i53
 assign (resid 52 and name c ) (resid 53 and name n ) 
        (resid 53 and name ca) (resid 53 and name c )     8.8 0.5 
  !!    f54
  !!    l55
 assign (resid 54 and name c ) (resid 55 and name n )
        (resid 55 and name ca) (resid 55 and name c )     10.0 0.5
  !!    e56
 assign (resid 55 and name c ) (resid 56 and name n ) 
        (resid 56 and name ca) (resid 56 and name c )     9.7 0.5 
  !!    v57
  !!    d58
 assign (resid 57 and name c ) (resid 58 and name n )
        (resid 58 and name ca) (resid 58 and name c )     7.7 0.5
  !!    v59
  !!    d60
 assign (resid 59 and name c ) (resid 60 and name n ) 
        (resid 60 and name ca) (resid 60 and name c )     9.6 0.5 
  !!    d61
 assign (resid 60 and name c ) (resid 61 and name n ) 
        (resid 61 and name ca) (resid 61 and name c )     10.0 0.5 
  !!    A62
 assign (resid 61 and name c ) (resid 62 and name n ) 
        (resid 62 and name ca) (resid 62 and name c )     9.6 0.5 
  !!    q63
 assign (resid 62 and name c ) (resid 63 and name n ) 
        (resid 63 and name ca) (resid 63 and name c )     5.8 0.5 
  !!    d64
 assign (resid 63 and name c ) (resid 64 and name n ) 
        (resid 64 and name ca) (resid 64 and name c )     5.8 0.5 
  !!    v65
 assign (resid 64 and name c ) (resid 65 and name n ) 
        (resid 65 and name ca) (resid 65 and name c )     6.7 0.5 
  !!    a66
 assign (resid 65 and name c ) (resid 66 and name n ) 
        (resid 66 and name ca) (resid 66 and name c )     5.6 0.5 
  !!    s67
 assign (resid 66 and name c ) (resid 67 and name n )
        (resid 67 and name ca) (resid 67 and name c )     4.8 0.5 
  !!    e68
 assign (resid 67 and name c ) (resid 68 and name n )
        (resid 68 and name ca) (resid 68 and name c )     4.6 0.5
  !!    a69
 assign (resid 68 and name c ) (resid 69 and name n ) 
        (resid 69 and name ca) (resid 69 and name c )     7.4 0.5 
  !!    e70
 assign (resid 69 and name c ) (resid 70 and name n ) 
        (resid 70 and name ca) (resid 70 and name c )     7.5 0.5 
  !!    v71
 assign (resid 70 and name c ) (resid 71 and name n ) 
        (resid 71 and name ca) (resid 71 and name c )     6.9 0.5 
  !!    k72
 assign (resid 71 and name c ) (resid 72 and name n ) 
        (resid 72 and name ca) (resid 72 and name c )    10.0 0.5 
  !!    a73
 assign (resid 72 and name c ) (resid 73 and name n ) 
        (resid 73 and name ca) (resid 73 and name c )    6.4 0.5 
  !!    t74
  !!    t76
  !!    f77
 assign (resid 75 and name c ) (resid 76 and name n )
        (resid 76 and name ca) (resid 76 and name c )     10.6 0.5
  !!    q78
 assign (resid 77 and name c ) (resid 78 and name n )
        (resid 78 and name ca) (resid 78 and name c )     9.5 0.5
  !!    f79
 assign (resid 78 and name c ) (resid 79 and name n ) 
        (resid 79 and name ca) (resid 79 and name c )     8.6 0.5 
  !!    f80
 assign (resid 79 and name c ) (resid 80 and name n ) 
        (resid 80 and name ca) (resid 80 and name c )     9.9 0.5 
  !!    k81
 assign (resid 80 and name c ) (resid 81 and name n ) 
        (resid 81 and name ca) (resid 81 and name c )     7.2 0.5 
  !!    k82
 assign (resid 81 and name c ) (resid 82 and name n ) 
        (resid 82 and name ca) (resid 82 and name c )     6.3 0.5 
  !!    g83
  !!    q84
 assign (resid 83 and name c ) (resid 84 and name n ) 
        (resid 84 and name ca) (resid 84 and name c )     9.9 0.5 
  !!    k85
 assign (resid 84 and name c ) (resid 85 and name n ) 
        (resid 85 and name ca) (resid 85 and name c )     7.3 0.5 
  !!    v86
 assign (resid 85 and name c ) (resid 86 and name n ) 
        (resid 86 and name ca) (resid 86 and name c )     10.4 0.5 
  !!    e88
 assign (resid 87 and name c ) (resid 88 and name n )
        (resid 88 and name ca) (resid 88 and name c )     5.1 0.5
  !!    f89
 assign (resid 88 and name c ) (resid 89 and name n )
        (resid 89 and name ca) (resid 89 and name c )     4.9 0.5 
  !!    s90
 assign (resid 89 and name c ) (resid 90 and name n ) 
        (resid 90 and name ca) (resid 90 and name c )    8.8 0.5 
  !!    g91
  !!    a92
 assign (resid 91 and name c ) (resid 92 and name n ) 
        (resid 92 and name ca) (resid 92 and name c )     6.9 0.5 
  !!    n93
 assign (resid 92 and name c ) (resid 93 and name n ) 
        (resid 93 and name ca) (resid 93 and name c )     8.8 0.5 
  !!    k94
  !!    e95
 assign (resid 94 and name c ) (resid 95 and name n ) 
        (resid 95 and name ca) (resid 95 and name c )     4.8 0.5 
  !!    k96
 assign (resid 95 and name c ) (resid 96 and name n ) 
        (resid 96 and name ca) (resid 96 and name c )     4.9 0.5 
  !!    l97
 assign (resid 96 and name c ) (resid 97 and name n ) 
        (resid 97 and name ca) (resid 97 and name c )     3.2 0.5 
  !!    e98
 assign (resid 97 and name c ) (resid 98 and name n ) 
        (resid 98 and name ca) (resid 98 and name c )     5.0 0.5 
  !!    a99
 assign (resid 98 and name c ) (resid 99 and name n ) 
        (resid 99 and name ca) (resid 99 and name c )     4.9 0.5 
  !!    t100
 assign (resid 99 and name c ) (resid 100 and name n ) 
        (resid 100 and name ca) (resid 100 and name c )   5.4 0.5 
  !!    i101
 assign (resid 100 and name c ) (resid 101 and name n )
        (resid 101 and name ca) (resid 101 and name c )    4.6 0.5
  !!    n102
 assign (resid 101 and name c ) (resid 102 and name n )
        (resid 102 and name ca) (resid 102 and name c )    4.5 0.5
  !!    e103
 assign (resid 102 and name c ) (resid 103 and name n ) 
        (resid 103 and name ca) (resid 103 and name c )    6.5 0.5 
  !!    l104
 assign (resid 103 and name c ) (resid 104 and name n ) 
        (resid 104 and name ca) (resid 104 and name c )    8.9 0.5 
  !!    v105
 assign (resid 104 and name c ) (resid 105 and name n ) 
        (resid 105 and name ca) (resid 105 and name c )     4.5 0.5 



(D) 13C alpha and beta chemical shift restraints

!remark Ca and Cb shifts

  !!    v2
 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 )  			  61.15 32.86 
  !!    k3
 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 ) 			  55.75 33.94 
  !!    q4
 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 ) 			  54.94 29.12 
  !!    i5
 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 )			          57.47 36.52
  !!    e6
 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 )          		  55.93 31.01 
  !!    s7
 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 )   			  56.75 67.17 
  !!    k8
 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 )   			  60.08 32.27
  !!    t9
 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 )  		          66.06 68.30 
  !!    a10
 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 )   			  54.67 18.86
  !!    f11
 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 )    			  60.19 38.81 
  !!    q12
 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 )  		          58.48 28.32 
  !!    e13
 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 )     			  59.20 29.33 
  !!    a14
 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 )     			  54.67 18.48 
  !!    l15
 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 )     			  57.71 41.16 
  !!    d16
 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 )    			  56.78 40.43 
  !!    a17
 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 )    			  53.25 18.46 
  !!    a18
 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 )     			  53.47 20.56 
  !!    g19
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 )     			  47.06 0.00
  !!    d20
 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 )     			  54.09 40.86 
  !!    k21
 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 )     			  57.16 33.58
  !!    l22
 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 )     		          55.62 42.80 
  !!    v23
 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 ) 		          	  60.02 34.60
  !!    v24
 assign (resid 23 and name c ) (resid 24 and name n )
        (resid 24 and name ca) (resid 24 and name c )
	(resid 25 and name n )   			  60.15 33.56
  !!    v25
 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 )   			  60.12 34.27
  !!    d26
 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 )    			  50.72 38.11 
  !!    f27
 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 )     			  57.49 38.74 
  !!    s28
 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 )    			  55.92 65.00 
  !!    a29
 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 )    			  50.66 21.94 
  !!    t30
 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 )    			  64.42 69.29
  !!    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 )    			  48.57 0.00
  !!    p34
 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 )    			  65.28 32.27
  !!    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 )    			  54.39 17.77
  !!    k36
 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 )    			  59.61 32.26
  !!    m37
 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 )  			  57.84 $noexpectation 
  !!    i38
 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 )    			  60.93 40.69 
  !!    k39
 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 )    			  61.79 30.07
  !!    p40
 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 )    			  66.05 30.55
  !!    f41
 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 )   			  60.81 39.15 
  !!    f42
 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 )    			  62.51 39.52 
  !!    s44
 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 )    			  61.84 63.03 
  !!    l45
 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 )     			  57.25 41.39 
  !!    s46
 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 )     			  59.88 62.52 
  !!    e47
 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 )     			  57.16 29.75 
  !!    k48
 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 )     			  57.89 34.24 
  !!    y49
 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 )    			  56.64 37.47 
  !!    s50
 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 )     			  60.17 63.02 
  !!    n51
 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 )     			  52.95 37.49 
  !!    v52
 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 )    			  60.77 34.78 
  !!    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 )    			  59.94 38.61 
  !!    f54
 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 )     			  56.65 40.49
  !!    l55
 assign (resid 54 and name c ) (resid 55 and name n )
        (resid 55 and name ca) (resid 55 and name c ) 
	(resid 56 and name n )    			  52.72 45.85
  !!    e56
 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 )     			  54.46 33.85 
  !!    v57
 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 )     			  60.25 35.17 
  !!    d58
 assign (resid 57 and name c ) (resid 58 and name n )
        (resid 58 and name ca) (resid 58 and name c )
	(resid 59 and name n )     			  52.76 42.13
  !!    v59
 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 )     			  64.35 31.69 
  !!    d60
 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 )     			  56.25 41.51 
  !!    d61
 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 )     			  55.54 41.26 
  !!    A62
 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 )    			  50.02 17.46 
  !!    q63
 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 )     			  59.09 28.76 
  !!    d64
 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 )     			  56.33 38.80 
  !!    v65
 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 )    			  65.31 31.38 
  !!    a66
 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 )     			  55.37 18.56 
  !!    s67
 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 )     			  61.60 62.74 
  !!    e68
 assign (resid 67 and name c ) (resid 68 and name n )
        (resid 68 and name ca) (resid 68 and name c )
        (resid 69 and name n )     			  59.09 28.76 
  !!    a69
 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 )    			  52.22 19.93 
  !!    e70
 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 )     			  56.59 26.50 
  !!    v71
 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 )    			  63.81 31.86 
  !!    k72
 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 )    			  55.00 34.10 
  !!    a73
 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 )    			  51.17 23.15 
  !!    t74
 assign (resid 73 and name c ) (resid 74 and name n )
        (resid 74 and name ca) (resid 74 and name c )
	(resid 75 and name n )     			  57.52 71.18
  !!    p75
 assign (resid 74 and name c ) (resid 75 and name n )
        (resid 75 and name ca) (resid 75 and name c )
        (resid 76 and name n )                            62.19 33.00
  !!    t76
 assign (resid 75 and name c ) (resid 76 and name n )
        (resid 76 and name ca) (resid 76 and name c ) 
	(resid 77 and name n )  			  62.86 72.70
  !!    f77
 assign (resid 76 and name c ) (resid 77 and name n )
        (resid 77 and name ca) (resid 77 and name c )
	(resid 78 and name n )     			  55.43 40.76
  !!    q78
 assign (resid 77 and name c ) (resid 78 and name n )
        (resid 78 and name ca) (resid 78 and name c )
	(resid 79 and name n )     			  54.43 33.23
  !!    f79
 assign (resid 78 and name c ) (resid 79 and name n ) 
        (resid 79 and name ca) (resid 79 and name c )
	(resid 80 and name n )     			  55.91 41.67 
  !!    f80
 assign (resid 79 and name c ) (resid 80 and name n ) 
        (resid 80 and name ca) (resid 80 and name c )
	(resid 81 and name n )     			  56.47 44.55 
  !!    k81
 assign (resid 80 and name c ) (resid 81 and name n ) 
        (resid 81 and name ca) (resid 81 and name c ) 
	(resid 82 and name n )    			  56.61 36.34 
  !!    k82
 assign (resid 81 and name c ) (resid 82 and name n ) 
        (resid 82 and name ca) (resid 82 and name c )
	(resid 83 and name n )     			  56.94 30.00 
  !!    g83
 assign (resid 82 and name c ) (resid 83 and name n )
        (resid 83 and name ca) (resid 83 and name c )
        (resid 84 and name n )     			  45.64 0.00
  !!    q84
 assign (resid 83 and name c ) (resid 84 and name n ) 
        (resid 84 and name ca) (resid 84 and name c )
	(resid 85 and name n )     			  53.40 30.99 
  !!    k85
 assign (resid 84 and name c ) (resid 85 and name n ) 
        (resid 85 and name ca) (resid 85 and name c )
	(resid 86 and name n )     			  57.31 31.50 
  !!    v86
 assign (resid 85 and name c ) (resid 86 and name n ) 
        (resid 86 and name ca) (resid 86 and name c ) 
	(resid 87 and name n )    			  60.78 32.76 
  !!    g87
 assign (resid 86 and name c ) (resid 87 and name n )
        (resid 87 and name ca) (resid 87 and name c )
        (resid 88 and name n )    			  46.09 0.00
  !!    e88
 assign (resid 87 and name c ) (resid 88 and name n )
        (resid 88 and name ca) (resid 88 and name c )
	(resid 89 and name n )     			  56.21 32.70
  !!    f89
 assign (resid 88 and name c ) (resid 89 and name n )
        (resid 89 and name ca) (resid 89 and name c )
	(resid 90 and name n )     			  58.18 40.83 
  !!    s90
 assign (resid 89 and name c ) (resid 90 and name n ) 
        (resid 90 and name ca) (resid 90 and name c )
	(resid 91 and name n )    			  57.08 66.27 
  !!    g91
 assign (resid 90 and name c ) (resid 91 and name n )
        (resid 91 and name ca) (resid 91 and name c )
        (resid 92 and name n )    			  43.48 0.00
  !!    a92
 assign (resid 91 and name c ) (resid 92 and name n ) 
        (resid 92 and name ca) (resid 92 and name c ) 
	(resid 93 and name n )    			  51.42 18.04 
  !!    n93
 assign (resid 92 and name c ) (resid 93 and name n ) 
        (resid 93 and name ca) (resid 93 and name c ) 
	(resid 94 and name n )    			  51.80 38.88 
  !!    k94
 assign (resid 93 and name c ) (resid 94 and name n )
        (resid 94 and name ca) (resid 94 and name c )
	(resid 95 and name n )     			  60.46 32.26 
  !!    e95
 assign (resid 94 and name c ) (resid 95 and name n ) 
        (resid 95 and name ca) (resid 95 and name c )
	(resid 96 and name n )     			  60.02 28.46 
  !!    k96
 assign (resid 95 and name c ) (resid 96 and name n ) 
        (resid 96 and name ca) (resid 96 and name c ) 
	(resid 97 and name n )    			  58.17 32.58 
  !!    l97
 assign (resid 96 and name c ) (resid 97 and name n ) 
        (resid 97 and name ca) (resid 97 and name c )
	(resid 98 and name n )     			  59.28 41.54 
  !!    e98
 assign (resid 97 and name c ) (resid 98 and name n ) 
        (resid 98 and name ca) (resid 98 and name c )
	(resid 99 and name n )     			  60.51 29.70 
  !!    a99
 assign (resid 98 and name c ) (resid 99 and name n ) 
        (resid 99 and name ca) (resid 99 and name c )
	(resid 100 and name n )     			  55.30 18.48 
  !!    t100
 assign (resid 99 and name c ) (resid 100 and name n ) 
        (resid 100 and name ca) (resid 100 and name c )
	(resid 101 and name n )    			  67.19 68.24 
  !!    i101
 assign (resid 100 and name c ) (resid 101 and name n )
        (resid 101 and name ca) (resid 101 and name c )
	(resid 102 and name n )    			  66.55 38.16
  !!    n102
 assign (resid 101 and name c ) (resid 102 and name n )
        (resid 102 and name ca) (resid 102 and name c )
	(resid 103 and name n )    			  56.89 39.38
  !!    e103
 assign (resid 102 and name c ) (resid 103 and name n ) 
        (resid 103 and name ca) (resid 103 and name c ) 
	(resid 104 and name n )   			  58.09 30.13 
  !!    l104
 assign (resid 103 and name c ) (resid 104 and name n ) 
        (resid 104 and name ca) (resid 104 and name c )
	(resid 105 and name n )    			  55.38 44.97 
  !!    v105


(E) 1H shift restraints
OBSE (resid 2 and (name HA)) 3.73 
OBSE (resid 3 and (name HA)) 4.53 
OBSE (resid 4 and (name HA)) 4.76 
OBSE (resid 5 and (name HA)) 4.32 
OBSE (resid 6 and (name HA)) 4.56 
OBSE (resid 7 and (name HA)) 5 
OBSE (resid 8 and (name HA)) 3.98 
OBSE (resid 9 and (name HA)) 4.02 
OBSE (resid 10 and (name HA)) 4.21 
OBSE (resid 11 and (name HA)) 4.11 
OBSE (resid 12 and (name HA)) 3.58 
OBSE (resid 13 and (name HA)) 3.99 
OBSE (resid 14 and (name HA)) 4.07 
OBSE (resid 15 and (name HA)) 3.74 
OBSE (resid 16 and (name HA)) 4.32 
OBSE (resid 17 and (name HA)) 4.19 
OBSE (resid 18 and (name HA)) 3.93 
OBSE (resid 19 and (name HA#)) 3.85 
OBSE (resid 20 and (name HA)) 4.65 
OBSE (resid 21 and (name HA)) 4.3 
OBSE (resid 22 and (name HA)) 4.43 
OBSE (resid 23 and (name HA)) 4.91 
OBSE (resid 24 and (name HA)) 4.5 
OBSE (resid 25 and (name HA)) 4.76 
OBSE (resid 26 and (name HA)) 4.31 
OBSE (resid 27 and (name HA)) 4.85 
OBSE (resid 28 and (name HA)) 4.07 
OBSE (resid 29 and (name HA)) 4.63 
OBSE (resid 30 and (name HA)) 3.77 
OBSE (resid 31 and (name HA)) 4.63 
OBSE (resid 32 and (name HA)) 4.89 
OBSE (resid 33 and (name HA#)) 4.0 
OBSE (resid 34 and (name HA)) 4.29 
OBSE (resid 35 and (name HA)) 3.9 
OBSE (resid 36 and (name HA)) 3.9 
OBSE (resid 37 and (name HA)) 4.26 
OBSE (resid 38 and (name HA)) 4.73 
OBSE (resid 39 and (name HA)) 4.23 
OBSE (resid 40 and (name HA)) 4.42 
OBSE (resid 41 and (name HA)) 4.48 
OBSE (resid 42 and (name HA)) 3.98 
OBSE (resid 43 and (name HA)) 3.8 
OBSE (resid 44 and (name HA)) 4.17 
OBSE (resid 45 and (name HA)) 3.83 
OBSE (resid 46 and (name HA)) 3.24 
OBSE (resid 47 and (name HA)) 4.05 
OBSE (resid 48 and (name HA)) 4.03 
OBSE (resid 49 and (name HA)) 4.81 
OBSE (resid 50 and (name HA)) 4.44 
OBSE (resid 51 and (name HA)) 4.83 
OBSE (resid 52 and (name HA)) 4.47 
OBSE (resid 53 and (name HA)) 4.37 
OBSE (resid 54 and (name HA)) 5.24 
OBSE (resid 55 and (name HA)) 5.39 
OBSE (resid 56 and (name HA)) 4.94 
OBSE (resid 57 and (name HA)) 4.03 
OBSE (resid 58 and (name HA)) 4.78 
OBSE (resid 59 and (name HA)) 3.27 
OBSE (resid 60 and (name HA)) 4.89 
OBSE (resid 61 and (name HA)) 4.66 
OBSE (resid 62 and (name HA)) 4.93 
OBSE (resid 63 and (name HA)) 4.11 
OBSE (resid 64 and (name HA)) 4.35 
OBSE (resid 65 and (name HA)) 3.47 
OBSE (resid 66 and (name HA)) 3.81 
OBSE (resid 67 and (name HA)) 4.46 
OBSE (resid 68 and (name HA)) 4.11 
OBSE (resid 69 and (name HA)) 4.46 
OBSE (resid 70 and (name HA)) 3.88 
OBSE (resid 71 and (name HA)) 3.62 
OBSE (resid 72 and (name HA)) 5.0 
OBSE (resid 73 and (name HA)) 5.12 
OBSE (resid 74 and (name HA)) 4.9 
OBSE (resid 75 and (name HA)) 5.13 
OBSE (resid 76 and (name HA)) 4.47 
OBSE (resid 77 and (name HA)) 5.7 
OBSE (resid 78 and (name HA)) 5.03 
OBSE (resid 79 and (name HA)) 5.54 
OBSE (resid 80 and (name HA)) 5.62 
OBSE (resid 81 and (name HA)) 4.58 
OBSE (resid 82 and (name HA)) 3.99 
OBSE (resid 83 and (name HA#)) 3.78 
OBSE (resid 84 and (name HA)) 4.75 
OBSE (resid 85 and (name HA)) 3.97 
OBSE (resid 86 and (name HA)) 4.57 
OBSE (resid 88 and (name HA)) 5.74 
OBSE (resid 89 and (name HA)) 5.07 
OBSE (resid 90 and (name HA)) 5.34 
OBSE (resid 91 and (name HA#)) 4.25 
OBSE (resid 92 and (name HA)) 4.41 
OBSE (resid 93 and (name HA)) 4.89 
OBSE (resid 94 and (name HA)) 3.65 
OBSE (resid 95 and (name HA)) 4.1 
OBSE (resid 96 and (name HA)) 3.88 
OBSE (resid 97 and (name HA)) 4.21 
OBSE (resid 98 and (name HA)) 3.88 
OBSE (resid 99 and (name HA)) 4.1 
OBSE (resid 100 and (name HA)) 3.69 
OBSE (resid 101 and (name HA)) 3.26 
OBSE (resid 102 and (name HA)) 4.33 
OBSE (resid 103 and (name HA)) 4.13 
OBSE (resid 104 and (name HA)) 4.43 
OBSE (resid 105 and (name HA)) 3.81 
OBSE (resid 108 and (name HA)) 4.34 
OBSE (resid 109 and (name HA)) 4.46 
OBSE (resid 110 and (name HA)) 4.48 
OBSE (resid 111 and (name HA)) 3.77 
OBSE (resid 112 and (name HA)) 5.06 
OBSE (resid 113 and (name HA)) 4.51 
OBSE (resid 114 and (name HA)) 4.84
OBSE (resid 115 and (name HA)) 4.15 
OBSE (resid 116 and (name HA)) 3.77
OBSE (resid 117 and (name HA)) 4.56


OBSE (resid 2 and (name HG1#)) 0.86 
OBSE (resid 2 and (name HG2#)) 0.7 
OBSE (resid 5 and (name HG2#)) 0.88 
OBSE (resid 5 and (name HD1#)) 0.67 
OBSE (resid 9 and (name HG2#)) 1.23 
OBSE (resid 10 and (name HB#)) 1.59 
OBSE (resid 14 and (name HB#)) 1.35 
OBSE (resid 15 and (name HD1#)) -0.22 
OBSE (resid 15 and (name HD2#)) -0.09 
OBSE (resid 16 and (name HB#)) 2.69 
OBSE (resid 17 and (name HB#)) 1.45 
OBSE (resid 18 and (name HB#)) 1.38 
OBSE (resid 22 and (name HD1#)) 0.86 
OBSE (resid 22 and (name HD2#)) 1.04 
OBSE (resid 23 and (name HG1#)) 0.63 
OBSE (resid 23 and (name HG2#)) 0.85 
OBSE (resid 24 and (name HG1#)) 0.46 
OBSE (resid 24 and (name HG2#)) 0.52 
OBSE (resid 25 and (name HG1#)) 0.03 
OBSE (resid 25 and (name HG2#)) 0.87 
OBSE (resid 29 and (name HB#)) 0.09 
OBSE (resid 30 and (name HG2#)) 1.31 
OBSE (resid 37 and (name HE#)) 2.71 
OBSE (resid 38 and (name HG2#)) 1.28 
OBSE (resid 38 and (name HD1#)) 0.97 
OBSE (resid 45 and (name HD1#)) 0.71 
OBSE (resid 45 and (name HD2#)) 0.67 
OBSE (resid 52 and (name HG1#)) 0.24 
OBSE (resid 52 and (name HG2#)) 0.89 
OBSE (resid 53 and (name HG2#)) 0.87 
OBSE (resid 53 and (name HD1#)) 0.87 
OBSE (resid 55 and (name HD1#)) 0.83 
OBSE (resid 55 and (name HD2#)) 0.56 
OBSE (resid 57 and (name HG1#)) 0.61 
OBSE (resid 57 and (name HG2#)) 0.11 
OBSE (resid 59 and (name HG1#)) 1.08 
OBSE (resid 59 and (name HG2#)) 0.27 
OBSE (resid 62 and (name HB#)) 1.15 
OBSE (resid 65 and (name HG1#)) 0.45 
OBSE (resid 65 and (name HG2#)) 0.66 
OBSE (resid 66 and (name HB#)) 1.42 
OBSE (resid 69 and (name HB#)) 1.24 
OBSE (resid 71 and (name HG1#)) 0.65 
OBSE (resid 71 and (name HG2#)) -0.11 
OBSE (resid 73 and (name HB#)) 1.28 
OBSE (resid 74 and (name HG2#)) 0.61 
OBSE (resid 76 and (name HG2#)) 1.15 
OBSE (resid 86 and (name HG1#)) 0.97 
OBSE (resid 86 and (name HG2#)) 0.65 
OBSE (resid 92 and (name HB#)) 1.41 
OBSE (resid 97 and (name HD1#)) 0.88 
OBSE (resid 97 and (name HD2#)) 0.67 
OBSE (resid 99 and (name HB#)) 1.37 
OBSE (resid 100 and (name HG2#)) 0.27 
OBSE (resid 101 and (name HG2#)) 0.18 
OBSE (resid 101 and (name HD1#)) 0.83 
OBSE (resid 104 and (name HD1#)) 0.32 
OBSE (resid 104 and (name HD2#)) 0.72 
OBSE (resid 105 and (name HG1#)) 1.01 
OBSE (resid 105 and (name HG2#)) 1.01 
OBSE (resid 108 and (name HG2#)) 1.23 
OBSE (resid 109 and (name HD1#)) 0.99 
OBSE (resid 109 and (name HD2#)) 0.93 
OBSE (resid 111 and (name HG2#)) 0.72 
OBSE (resid 111 and (name HD1#)) 0.79 
OBSE (resid 116 and (name HG2#)) 0.72
OBSE (resid 116 and (name HG1#)) 0.72

OBSE (resid 1 and (name HB#)) 2.16 
OBSE (resid 1 and (name HG#)) 2.58 
OBSE (resid 2 and (name HB)) 1.95 
OBSE (resid 3 and (name HB1)) 1.84 
OBSE (resid 3 and (name HB2)) 1.77 
OBSE (resid 3 and (name HG#)) 1.36 
OBSE (resid 3 and (name HD#)) 1.68 
OBSE (resid 3 and (name HE#)) 2.96 
OBSE (resid 4 and (name HB#)) 2.02 
OBSE (resid 4 and (name HG#)) 2.29 
OBSE (resid 5 and (name HB)) 2.02 
OBSE (resid 5 and (name HG1#)) 1.34 
OBSE (resid 6 and (name HB1)) 1.99 
OBSE (resid 6 and (name HB2)) 2.26 
OBSE (resid 6 and (name HG#)) 2.25 
OBSE (resid 7 and (name HB1)) 4.01 
OBSE (resid 7 and (name HB2)) 4.28 
OBSE (resid 8 and (name HB1)) 1.93 
OBSE (resid 8 and (name HB2)) 1.88 
OBSE (resid 8 and (name HG#)) 1.50 
OBSE (resid 8 and (name HD#)) 1.72 
OBSE (resid 8 and (name HE#)) 2.96 
OBSE (resid 9 and (name HB)) 4.05 
OBSE (resid 11 and (name HB1)) 3.35 
OBSE (resid 11 and (name HB2)) 3 
OBSE (resid 11 and (name HD#)) 6.96 
OBSE (resid 12 and (name HB#)) 2.15 
OBSE (resid 12 and (name HG#)) 2.41 
OBSE (resid 13 and (name HB1)) 1.98 
OBSE (resid 13 and (name HB2)) 2.08 
OBSE (resid 13 and (name HG#)) 2.35 
OBSE (resid 15 and (name HB1)) 0.99 
OBSE (resid 15 and (name HB2)) 1.61 
OBSE (resid 15 and (name HG)) 0.96 
OBSE (resid 16 and (name HB#)) 2.69 
OBSE (resid 20 and (name HB#)) 2.77 
OBSE (resid 21 and (name HB1)) 1.95 
OBSE (resid 21 and (name HB2)) 1.92 
OBSE (resid 21 and (name HG#)) 1.56 
OBSE (resid 21 and (name HD#)) 1.65 
OBSE (resid 21 and (name HE#)) 3.06 
OBSE (resid 22 and (name HB1)) 1.94 
OBSE (resid 22 and (name HB2)) 1.45 
OBSE (resid 22 and (name HG)) 1.56 
OBSE (resid 23 and (name HB)) 1.99 
OBSE (resid 24 and (name HB)) 1.54 
OBSE (resid 25 and (name HB)) 1.97 
OBSE (resid 26 and (name HB1)) 2.14 
OBSE (resid 26 and (name HB2)) 1.31 
OBSE (resid 27 and (name HB1)) 2.22 
OBSE (resid 27 and (name HB2)) 2.88 
OBSE (resid 27 and (name HD#)) 6.75 
OBSE (resid 27 and (name HE#)) 6.75 
OBSE (resid 28 and (name HB1)) 3.1 
OBSE (resid 28 and (name HB2)) 3.32 
OBSE (resid 30 and (name HB)) 4.21 
OBSE (resid 31 and (name HB1)) 3.14 
OBSE (resid 31 and (name HB2)) 3.72 
OBSE (resid 31 and (name HD1)) 7.32 
OBSE (resid 31 and (name HE3)) 7.44 
OBSE (resid 31 and (name HZ2)) 7.49 
OBSE (resid 31 and (name HZ3)) 7.03 
OBSE (resid 31 and (name HH2)) 7.18 
OBSE (resid 34 and (name HB1)) 2.31 
OBSE (resid 34 and (name HB2)) 1.64 
OBSE (resid 34 and (name HG#)) 1.87 
OBSE (resid 34 and (name HD#)) 3.79 
OBSE (resid 36 and (name HB#)) 1.89 
OBSE (resid 36 and (name HG#)) 1.49 
OBSE (resid 36 and (name HD#)) 1.73 
OBSE (resid 36 and (name HE#)) 2.9 
OBSE (resid 37 and (name HB#)) 2.35 
OBSE (resid 37 and (name HG#)) 3.03 
OBSE (resid 38 and (name HB)) 1.95 
OBSE (resid 38 and (name HG1#)) 1.92 
OBSE (resid 39 and (name HB#)) 2.01 
OBSE (resid 39 and (name HG#)) 1.46 
OBSE (resid 39 and (name HD#)) 1.63 
OBSE (resid 39 and (name HE#)) 2.85 
OBSE (resid 40 and (name HB1)) 2.37 
OBSE (resid 40 and (name HB2)) 1.99 
OBSE (resid 40 and (name HG#)) 2.10 
OBSE (resid 40 and (name HD#)) 3.82 
OBSE (resid 41 and (name HB1)) 3.52 
OBSE (resid 41 and (name HB2)) 3.21 
OBSE (resid 41 and (name HD#)) 7.27 
OBSE (resid 41 and (name HE#)) 7.48 
OBSE (resid 42 and (name HB1)) 3.58 
OBSE (resid 42 and (name HB2)) 3.15 
OBSE (resid 42 and (name HD#)) 7.39 
OBSE (resid 42 and (name HE#)) 7.71 
OBSE (resid 43 and (name HB#)) 3.28 
OBSE (resid 43 and (name HE1)) 8.23 
OBSE (resid 43 and (name HD2)) 7.27 
OBSE (resid 44 and (name HB#)) 3.93 
OBSE (resid 45 and (name HB1)) 1.1 
OBSE (resid 45 and (name HB2)) 1.48 
OBSE (resid 45 and (name HG)) 1.11 
OBSE (resid 46 and (name HB#)) 2.83 
OBSE (resid 47 and (name HB1)) 2 
OBSE (resid 47 and (name HB2)) 1.95 
OBSE (resid 47 and (name HG#)) 2.14 
OBSE (resid 48 and (name HB1)) 1.54 
OBSE (resid 48 and (name HB2)) 1.63 
OBSE (resid 48 and (name HG#)) 0.80 
OBSE (resid 48 and (name HD#)) 1.45 
OBSE (resid 48 and (name HE#)) 2.74 
OBSE (resid 49 and (name HB#)) 3.05 
OBSE (resid 49 and (name HD#)) 7.31 
OBSE (resid 49 and (name HE#)) 6.88 
OBSE (resid 50 and (name HB1)) 3.9 
OBSE (resid 50 and (name HB2)) 4.02 
OBSE (resid 51 and (name HB1)) 2.99 
OBSE (resid 51 and (name HB2)) 2.92 
OBSE (resid 52 and (name HB)) 2.13 
OBSE (resid 53 and (name HB)) 1.89 
OBSE (resid 53 and (name HG1#)) 1.36 
OBSE (resid 54 and (name HB1)) 2.4 
OBSE (resid 54 and (name HB2)) 2.8 
OBSE (resid 54 and (name HD#)) 6.59 
OBSE (resid 54 and (name HE#)) 7.08 
OBSE (resid 54 and (name HZ)) 6.72 
OBSE (resid 55 and (name HB1)) 1.26 
OBSE (resid 55 and (name HB2)) 1.65 
OBSE (resid 55 and (name HG)) 1.49 
OBSE (resid 56 and (name HB#)) 1.85 
OBSE (resid 56 and (name HG#)) 2.05 
OBSE (resid 57 and (name HB)) 1.11 
OBSE (resid 58 and (name HB1)) 2.8 
OBSE (resid 58 and (name HB2)) 2.25 
OBSE (resid 59 and (name HB)) 1.57 
OBSE (resid 60 and (name HB1)) 2.86 
OBSE (resid 60 and (name HB2)) 2.8 
OBSE (resid 61 and (name HB1)) 2.85 
OBSE (resid 61 and (name HB2)) 2.66 
OBSE (resid 63 and (name HB#)) 2.14 
OBSE (resid 63 and (name HG#)) 2.47 
OBSE (resid 64 and (name HB1)) 2.84 
OBSE (resid 64 and (name HB2)) 2.63 
OBSE (resid 65 and (name HB)) 2.01 
OBSE (resid 67 and (name HB#)) 4.07 
OBSE (resid 68 and (name HB#)) 2.14 
OBSE (resid 68 and (name HG#)) 2.53 
OBSE (resid 70 and (name HB1)) 2.16 
OBSE (resid 70 and (name HB2)) 2.12 
OBSE (resid 70 and (name HG#)) 2.18 
OBSE (resid 71 and (name HB)) 1.55 
OBSE (resid 72 and (name HB1)) 2.07 
OBSE (resid 72 and (name HB2)) 1.6 
OBSE (resid 72 and (name HG#)) 1.50 
OBSE (resid 72 and (name HD#)) 1.68 
OBSE (resid 72 and (name HE#)) 2.94 
OBSE (resid 74 and (name HB)) 3.67 
OBSE (resid 75 and (name HB1)) 1.97 
OBSE (resid 75 and (name HB2)) 1.42 
OBSE (resid 75 and (name HG#)) 1.93 
OBSE (resid 75 and (name HD#)) 3.60 
OBSE (resid 76 and (name HB)) 3.84 
OBSE (resid 77 and (name HB1)) 2.24 
OBSE (resid 77 and (name HB2)) 2.04 
OBSE (resid 77 and (name HD#)) 6.48 
OBSE (resid 77 and (name HE#)) 7 
OBSE (resid 77 and (name HZ)) 6.9 
OBSE (resid 78 and (name HB1)) 1.95 
OBSE (resid 78 and (name HB2)) 2.14 
OBSE (resid 78 and (name HG#)) 2.37 
OBSE (resid 79 and (name HB1)) 2.62 
OBSE (resid 79 and (name HB2)) 2.5 
OBSE (resid 79 and (name HD#)) 6.95 
OBSE (resid 79 and (name HE#)) 7.14 
OBSE (resid 79 and (name HZ)) 7.22 
OBSE (resid 80 and (name HB1)) 2.62 
OBSE (resid 80 and (name HB2)) 2.72 
OBSE (resid 80 and (name HD#)) 6.74 
OBSE (resid 80 and (name HE#)) 7.37 
OBSE (resid 80 and (name HZ)) 7.79 
OBSE (resid 81 and (name HB#)) 1.68 
OBSE (resid 81 and (name HG#)) 1.42 
OBSE (resid 81 and (name HD#)) 1.76 
OBSE (resid 81 and (name HE#)) 3.03 
OBSE (resid 82 and (name HB1)) 2.1 
OBSE (resid 82 and (name HB2)) 1.81 
OBSE (resid 82 and (name HG#)) 1.45 
OBSE (resid 82 and (name HD#)) 1.73 
OBSE (resid 82 and (name HE#)) 2.99 
OBSE (resid 84 and (name HB1)) 2.14 
OBSE (resid 84 and (name HB2)) 1.99 
OBSE (resid 84 and (name HG#)) 2.37 
OBSE (resid 85 and (name HB1)) 1.77 
OBSE (resid 85 and (name HB2)) 1.39 
OBSE (resid 85 and (name HG#)) 1.29 
OBSE (resid 85 and (name HD#)) 1.72 
OBSE (resid 85 and (name HE#)) 2.93 
OBSE (resid 86 and (name HB)) 2.45 
OBSE (resid 88 and (name HB1)) 2.39 
OBSE (resid 88 and (name HB2)) 2.17 
OBSE (resid 88 and (name HG#)) 2.16 
OBSE (resid 89 and (name HB1)) 3.56 
OBSE (resid 89 and (name HB2)) 3.41 
OBSE (resid 89 and (name HD#)) 7.36 
OBSE (resid 89 and (name HE#)) 7.41 
OBSE (resid 89 and (name HZ)) 6.8 
OBSE (resid 90 and (name HB1)) 3.85 
OBSE (resid 90 and (name HB2)) 3.67 
OBSE (resid 93 and (name HB1)) 2.91 
OBSE (resid 93 and (name HB2)) 2.63 
OBSE (resid 94 and (name HB1)) 1.36 
OBSE (resid 94 and (name HB2)) 1.07 
OBSE (resid 94 and (name HG#)) 0.93 
OBSE (resid 94 and (name HD#)) 1.01 
OBSE (resid 94 and (name HE#)) 2.59 
OBSE (resid 95 and (name HB1)) 2.12 
OBSE (resid 95 and (name HB2)) 1.94 
OBSE (resid 95 and (name HG#)) 2.33 
OBSE (resid 96 and (name HB1)) 0.98 
OBSE (resid 96 and (name HB2)) 1.36 
OBSE (resid 96 and (name HG#)) 0.44 
OBSE (resid 96 and (name HD#)) 1.00 
OBSE (resid 96 and (name HE#)) 2.49 
OBSE (resid 97 and (name HB1)) 1.53 
OBSE (resid 97 and (name HB2)) 2.35 
OBSE (resid 97 and (name HG)) 1.59 
OBSE (resid 98 and (name HB#)) 2.27 
OBSE (resid 98 and (name HG#)) 2.47 
OBSE (resid 100 and (name HB)) 3.98 
OBSE (resid 101 and (name HB)) 1.72 
OBSE (resid 101 and (name HG1#)) 0.76 
OBSE (resid 102 and (name HB#)) 2.71 
OBSE (resid 103 and (name HB1)) 2.04 
OBSE (resid 103 and (name HB2)) 2.15 
OBSE (resid 103 and (name HG#)) 2.32 
OBSE (resid 104 and (name HB1)) 1.44 
OBSE (resid 104 and (name HB2)) 1.59 
OBSE (resid 104 and (name HG)) 1.6 
OBSE (resid 105 and (name HB)) 2.15 
OBSE (resid 106 and (name HB1)) 2.47 
OBSE (resid 106 and (name HB2)) 2.03 
OBSE (resid 106 and (name HG#)) 2.07 
OBSE (resid 106 and (name HD#)) 3.43 
OBSE (resid 107 and (name HB#)) 1.42 
OBSE (resid 108 and (name HB)) 4.19 
OBSE (resid 109 and (name HB1)) 1.61 
OBSE (resid 109 and (name HB2)) 1.7 
OBSE (resid 109 and (name HG)) 1.73 
OBSE (resid 110 and (name HB#)) 1.88 
OBSE (resid 110 and (name HG#)) 1.49 
OBSE (resid 110 and (name HD#)) 1.69 
OBSE (resid 110 and (name HE#)) 3.21 
OBSE (resid 111 and (name HB)) 1.8 
OBSE (resid 111 and (name HG1#)) 1.51 
OBSE (resid 113 and (name HB#)) 3.9  
OBSE (resid 114 and (name HB1)) 2.8 
OBSE (resid 114 and (name HB2)) 2.95 
OBSE (resid 114 and (name HD1)) 7.36 
OBSE (resid 114 and (name HE3)) 7.22 
OBSE (resid 114 and (name HZ2)) 7.33 
OBSE (resid 114 and (name HZ3)) 6.76 
OBSE (resid 114 and (name HH2)) 7.07 
OBSE (resid 115 and (name HB#)) 2.30
OBSE (resid 116 and (name HB)) 1.80
OBSE (resid 117 and (name HB#)) 2.59


(F) 1H, 15N and 13C assignments
# Assignment Table: /spree1/jqin/shifts/c35a-ref1-2.shifts
#    Path:	/tm/net/spree1/jqin/c35a-ref.1.1/3dc13noesy
#    User:	jqin
#    Date:	Wed Nov  1 15:35:02 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        ft/3dc13noe           3dc13noe                 0

RES_ID		1
RES_TYPE	MET
SPIN_SYSTEM_ID	1
HETEROGENEITY	100
   N  120.0000
   HN  8.7000
   CA  54.9000
   HA  4.0000
   CB  32.5600
   HB#  2.1600
   CG  30.7400
   HG#  2.5800
END_RES_DEF

RES_ID		2
RES_TYPE	VAL
SPIN_SYSTEM_ID	2
HETEROGENEITY	100
   N  120.5000
   HN  8.8000
   CA  61.1600
   HA  3.7300
   CB  32.8600
   HB  1.9500
   CG1  21.6100
   HG1#  0.8600
   CG2  20.7100
   HG2#  0.7000
END_RES_DEF

RES_ID		3
RES_TYPE	LYS
SPIN_SYSTEM_ID	3
HETEROGENEITY	100
   N  127.8700
   HN  8.2400
   CA  55.6200
   HA  4.5300
   CB  33.9100
   HB1  1.8400
   HB2  1.7700
   CG  24.7300
   HG1  1.3400
   HG2  1.3800
   CD  29.1700
   HD1  1.7300
   HD2  1.6300
   CE  41.9100
   HE#  2.9600
END_RES_DEF

RES_ID		4
RES_TYPE	GLN
SPIN_SYSTEM_ID	4
HETEROGENEITY	100
   N  125.7600
   HN  8.6500
   CA  54.9400
   HA  4.7600
   CB  29.1200
   HB#  2.0200
   CG  33.9600
   HG1  2.3300
   HG2  2.2400
   NE2  112.8800
   HE21  7.6600
   HE22  7.0100
END_RES_DEF

RES_ID		5
RES_TYPE	ILE
SPIN_SYSTEM_ID	5
HETEROGENEITY	100
   N  126.1000
   HN  8.6900
   CA  57.4700
   HA  4.3200
   CB  36.4800
   HB  2.0200
   CG1  26.7200
   HG11  1.6000
   HG12  1.0800
   CG2  18.2000
   HG2#  0.8800
   CD1  9.0000
   HD1#  0.6700
END_RES_DEF

RES_ID		6
RES_TYPE	GLU
SPIN_SYSTEM_ID	6
HETEROGENEITY	100
   N  123.7600
   HN  9.1100
   CA  55.9300
   HA  4.5600
   CB  31.0100
   HB1  1.9900
   HB2  2.2600
   CG  35.7400
   HG#  2.2500
END_RES_DEF

RES_ID		7
RES_TYPE	SER
SPIN_SYSTEM_ID	7
HETEROGENEITY	100
   N  110.1100
   HN  7.3100
   CA  56.7300
   HA  5.0000
   CB  66.8600
   HB1  4.0100
   HB2  4.2800
END_RES_DEF

RES_ID		8
RES_TYPE	LYS
SPIN_SYSTEM_ID	8
HETEROGENEITY	100
   N  122.4100
   HN  9.4100
   CA  60.0800
   HA  3.9800
   CB  32.2700
   HB1  1.9300
   HB2  1.8800
   CG  25.5700
   HG1  1.5200
   HG2  1.4700
   CD  29.3200
   HD#  1.7200
   CE  41.7800
   HE#  2.9600
END_RES_DEF

RES_ID		9
RES_TYPE	THR
SPIN_SYSTEM_ID	9
HETEROGENEITY	100
   N  115.0300
   HN  8.2200
   CA  66.0600
   HA  4.0200
   CB  68.3000
   HB  4.0500
   CG2  21.7900
   HG2#  1.2300
END_RES_DEF

RES_ID		10
RES_TYPE	ALA
SPIN_SYSTEM_ID	10
HETEROGENEITY	100
   N  123.6100
   HN  7.8300
   CA  54.6500
   HA  4.2100
   CB  18.7900
   HB#  1.5900
END_RES_DEF

RES_ID		11
RES_TYPE	PHE
SPIN_SYSTEM_ID	11
HETEROGENEITY	100
   N  120.2900
   HN  8.1400
   CA  60.1300
   HA  4.1100
   CB  38.8100
   HB1  3.3500
   HB2  3.0000
   CD1  130.7900
   HD1  6.9600
   CD2  130.7900
   HD2  6.9600
END_RES_DEF

RES_ID		12
RES_TYPE	GLN
SPIN_SYSTEM_ID	12
HETEROGENEITY	100
   N  117.2000
   HN  8.0400
   CA  58.4000
   HA  3.5800
   CB  28.1900
   HB#  2.1500
   CG  33.6300
   HG1  2.4300
   HG2  2.3900
   NE2  114.7500
   HE21  7.7100
   HE22  6.8500
END_RES_DEF

RES_ID		13
RES_TYPE	GLU
SPIN_SYSTEM_ID	13
HETEROGENEITY	100
   N  117.3000
   HN  8.2200
   CA  59.2100
   HA  3.9900
   CB  29.3300
   HB1  1.9800
   HB2  2.0800
   CG  36.3800
   HG1  2.4800
   HG2  2.2200
END_RES_DEF

RES_ID		14
RES_TYPE	ALA
SPIN_SYSTEM_ID	14
HETEROGENEITY	100
   N  121.4300
   HN  7.7800
   CA  54.6400
   HA  4.0700
   CB  18.4400
   HB#  1.3500
END_RES_DEF

RES_ID		15
RES_TYPE	LEU
SPIN_SYSTEM_ID	15
HETEROGENEITY	100
   N  117.2200
   HN  7.7200
   CA  57.7300
   HA  3.7400
   CB  41.1000
   HB1  0.9900
   HB2  1.6100
   CG  26.0600
   HG  0.9600
   CD1  24.6100
   HD1#  -0.2200
   CD2  21.9900
   HD2#  -0.0900
END_RES_DEF

RES_ID		16
RES_TYPE	ASP
SPIN_SYSTEM_ID	16
HETEROGENEITY	100
   N  119.7700
   HN  8.2300
   CA  56.7800
   HA  4.3200
   CB  40.4300
   HB#  2.6900
END_RES_DEF

RES_ID		17
RES_TYPE	ALA
SPIN_SYSTEM_ID	17
HETEROGENEITY	100
   N  121.1800
   HN  8.0700
   CA  53.3600
   HA  4.1900
   CB  18.4200
   HB#  1.4500
END_RES_DEF

RES_ID		18
RES_TYPE	ALA
SPIN_SYSTEM_ID	18
HETEROGENEITY	100
   N  118.6300
   HN  7.1500
   CA  53.4200
   HA  3.9300
   CB  20.5400
   HB#  1.3800
END_RES_DEF

RES_ID		19
RES_TYPE	GLY
SPIN_SYSTEM_ID	19
HETEROGENEITY	100
   N  105.8300
   HN  7.6000
   CA  47.1700
   HA1  3.9300
   HA2  3.7700
END_RES_DEF

RES_ID		20
RES_TYPE	ASP
SPIN_SYSTEM_ID	20
HETEROGENEITY	100
   N  128.7100
   HN  9.0800
   CA  54.0200
   HA  4.6500
   CB  40.8600
   HB#  2.7700
END_RES_DEF

RES_ID		21
RES_TYPE	LYS
SPIN_SYSTEM_ID	21
HETEROGENEITY	100
   N  119.1700
   HN  7.7700
   CA  57.1600
   HA  4.3000
   CB  33.5800
   HB1  1.9500
   HB2  1.9200
   CG  26.1800
   HG#  1.5600
   CD  29.6000
   HD#  1.6500
   CE  42.2900
   HE#  3.0600
END_RES_DEF

RES_ID		22
RES_TYPE	LEU
SPIN_SYSTEM_ID	22
HETEROGENEITY	100
   N  122.6700
   HN  8.8800
   CA  55.6100
   HA  4.4300
   CB  42.9800
   HB1  1.9400
   HB2  1.4500
   CG  26.8400
   HG  1.5600
   CD1  27.5200
   HD1#  0.8600
   CD2  23.9400
   HD2#  1.0400
END_RES_DEF

RES_ID		23
RES_TYPE	VAL
SPIN_SYSTEM_ID	23
HETEROGENEITY	100
   N  125.7000
   HN  9.0000
   CA  60.0200
   HA  4.9100
   CB  34.6000
   HB  1.9900
   CG1  21.4400
   HG1#  0.6300
   CG2  21.7000
   HG2#  0.8500
END_RES_DEF

RES_ID		24
RES_TYPE	VAL
SPIN_SYSTEM_ID	24
HETEROGENEITY	100
   N  126.3200
   HN  9.1300
   CA  60.1500
   HA  4.5000
   CB  33.5600
   HB  1.5400
   CG1  21.6500
   HG1#  0.4600
   CG2  21.2700
   HG2#  0.5200
END_RES_DEF

RES_ID		25
RES_TYPE	VAL
SPIN_SYSTEM_ID	25
HETEROGENEITY	100
   N  126.3200
   HN  9.1500
   CA  59.9000
   HA  4.7600
   CB  34.3600
   HB  1.9700
   CG1  21.9800
   HG1#  0.0300
   CG2  22.1900
   HG2#  0.8700
END_RES_DEF

RES_ID		26
RES_TYPE	ASP
SPIN_SYSTEM_ID	26
HETEROGENEITY	100
   N  122.9700
   HN  8.3200
   CA  50.7200
   HA  4.3100
   CB  38.1100
   HB1  2.1400
   HB2  1.3100
END_RES_DEF

RES_ID		27
RES_TYPE	PHE
SPIN_SYSTEM_ID	27
HETEROGENEITY	100
   N  125.1100
   HN  8.9700
   CA  57.4900
   HA  4.8500
   CB  38.7400
   HB1  2.2200
   HB2  2.8800
   CD1  131.5600
   HD1  6.7500
   CD1  131.5600
   HD1  6.7500
   CE1  130.4400
   HE1  6.7500
   CE2  130.4400
   HE2  6.7500
END_RES_DEF

RES_ID		28
RES_TYPE	SER
SPIN_SYSTEM_ID	28
HETEROGENEITY	100
   CA  55.9200
   HA  4.0700
   CB  65.0000
   HB1  3.1000
   HB2  3.3200
END_RES_DEF

RES_ID		29
RES_TYPE	ALA
SPIN_SYSTEM_ID	29
HETEROGENEITY	100
   N  119.0300
   HN  6.1400
   CA  50.4400
   HA  4.6300
   CB  21.9300
   HB#  0.0900
END_RES_DEF

RES_ID		30
RES_TYPE	THR
SPIN_SYSTEM_ID	30
HETEROGENEITY	100
   N  115.9100
   HN  9.4800
   CA  64.4000
   HA  3.7700
   CB  69.2900
   HB  4.2100
   CG2  21.9200
   HG2#  1.3100
END_RES_DEF

RES_ID		31
RES_TYPE	TRP
SPIN_SYSTEM_ID	31
HETEROGENEITY	100
   N  113.9500
   HN  6.4800
   CA  53.3500
   HA  4.6300
   CB  29.7000
   HB1  3.1400
   HB2  3.7200
   CD1  128.8000
   HD1  7.3200
   NE1  136.3800
   HE1  11.6600
   CE3  121.3700
   HE3  7.4400
   CZ2  115.1200
   HZ2  7.4900
   CZ3  121.7600
   HZ3  7.0300
   CH2  124.6900
   HH2  7.1800
END_RES_DEF

RES_ID		32
RES_TYPE	CYS
SPIN_SYSTEM_ID	32
HETEROGENEITY	100
   N  119.2800
   HN  6.3500
   CA  53.3800
   HA  4.8900
   CB  39.0000
   HB1  1.7300
   HB2  2.2200
END_RES_DEF

RES_ID		33
RES_TYPE	GLY
SPIN_SYSTEM_ID	33
HETEROGENEITY	100
   N  119.6800
   HN  9.7300
   CA  48.5700
   HA1  4.2000
   HA2  3.8100
END_RES_DEF

RES_ID		34
RES_TYPE	PRO
SPIN_SYSTEM_ID	34
HETEROGENEITY	100
   CA  65.2800
   HA  4.2900
   CB  32.2700
   HB1  2.3100
   HB2  1.6400
   CG  27.7400
   HG1  1.8900
   HG2  1.8400
   CD  51.2700
   HD1  3.9900
   HD2  3.5900
END_RES_DEF

RES_ID		35
RES_TYPE	ALA
SPIN_SYSTEM_ID	35
HETEROGENEITY	100
   N  117.6000
   HN  6.7300
   CA  54.3900
   HA  3.9000
   CB  17.7700
   HB#  1.3500
END_RES_DEF

RES_ID		36
RES_TYPE	LYS
SPIN_SYSTEM_ID	36
HETEROGENEITY	100
   N  120.6900
   HN  8.3000
   CA  59.6300
   HA  3.9000
   CB  32.0300
   HB#  1.8900
   CG  24.9000
   HG1  1.5100
   HG2  1.4600
   CD  29.3400
   HD#  1.7300
   CE  41.9800
   HE#  2.9000
END_RES_DEF

RES_ID		37
RES_TYPE	MET
SPIN_SYSTEM_ID	37
HETEROGENEITY	100
   N  115.4700
   HN  8.4400
   CA  57.8400
   HA  4.2600
   CB  26.2600
   HB#  2.3500
   CG  30.6900
   HG1  3.1400
   HG2  2.9100
   CE  39.2400
   HE#  2.7100
END_RES_DEF

RES_ID		38
RES_TYPE	ILE
SPIN_SYSTEM_ID	38
HETEROGENEITY	100
   N  115.3400
   HN  7.3900
   CA  60.4800
   HA  4.7300
   CB  40.6900
   HB  1.9500
   CG1  32.0200
   HG1#  1.9200
   CG2  16.7200
   HG2#  1.2800
   CD1  14.9000
   HD1#  0.9700
END_RES_DEF

RES_ID		39
RES_TYPE	LYS
SPIN_SYSTEM_ID	39
HETEROGENEITY	100
   N  125.4700
   HN  7.4500
   CA  61.7900
   HA  4.2300
   CB  30.0700
   HB#  2.0100
   CG  25.1900
   HG1  1.6500
   HG2  1.2700
   CD  29.3900
   HD#  1.6300
   CE  41.5200
   HE#  2.8500
END_RES_DEF

RES_ID		40
RES_TYPE	PRO
SPIN_SYSTEM_ID	40
HETEROGENEITY	100
   CA  66.0500
   HA  4.4200
   CB  30.4800
   HB1  2.3700
   HB2  1.9900
   CG  28.5600
   HG1  2.1800
   HG2  2.0200
   CD  50.1100
   HD#  3.8200
END_RES_DEF

RES_ID		41
RES_TYPE	PHE
SPIN_SYSTEM_ID	41
HETEROGENEITY	100
   N  119.7700
   HN  7.5700
   CA  60.9600
   HA  4.4800
   CB  39.2800
   HB1  3.5200
   HB2  3.2100
   CD1  131.2300
   HD1  7.2700
   CD2  131.2300
   HD2  7.2700
   CE1  132.2000
   HE1  7.4800
   CE2  132.2000
   HE2  7.4800
END_RES_DEF

RES_ID		42
RES_TYPE	PHE
SPIN_SYSTEM_ID	42
HETEROGENEITY	100
   N  121.7200
   HN  8.7600
   CA  62.5100
   HA  3.9800
   CB  39.5200
   HB1  3.5800
   HB2  3.1500
   CD1  132.5200
   HD1  7.3900
   CD2  132.5200
   HD2  7.3900
   CE1  132.0200
   HE1  7.7100
   CE2  132.0200
   HE2  7.7100
END_RES_DEF

RES_ID		43
RES_TYPE	HIS
SPIN_SYSTEM_ID	43
HETEROGENEITY	100
   N  114.5400
   HN  8.3700
   CA  59.5200
   HA  3.8000
   CB  28.9600
   HB#  3.2800
   CE1  136.9500
   HE1  8.2300
   CD2  118.8200
   HD2  7.2700
END_RES_DEF

RES_ID		44
RES_TYPE	SER
SPIN_SYSTEM_ID	44
HETEROGENEITY	100
   N  119.2700
   HN  8.4800
   CA  61.8400
   HA  4.1700
   CB  63.0300
   HB#  3.9300
END_RES_DEF

RES_ID		45
RES_TYPE	LEU
SPIN_SYSTEM_ID	45
HETEROGENEITY	100
   N  122.7900
   HN  7.8400
   CA  57.2500
   HA  3.8300
   CB  41.3900
   HB1  1.1000
   HB2  1.4800
   CG  25.8700
   HG  1.1100
   CD1  27.1400
   HD1#  0.7100
   CD2  22.7100
   HD2#  0.6700
END_RES_DEF

RES_ID		46
RES_TYPE	SER
SPIN_SYSTEM_ID	46
HETEROGENEITY	100
   N  114.5600
   HN  6.7200
   CA  59.8800
   HA  3.2400
   CB  62.5200
   HB#  2.8300
END_RES_DEF

RES_ID		47
RES_TYPE	GLU
SPIN_SYSTEM_ID	47
HETEROGENEITY	100
   N  118.5700
   HN  6.8000
   CA  57.1600
   HA  4.0500
   CB  29.7500
   HB1  2.0000
   HB2  1.9500
   CG  36.2000
   HG1  2.2000
   HG2  2.0800
END_RES_DEF

RES_ID		48
RES_TYPE	LYS
SPIN_SYSTEM_ID	48
HETEROGENEITY	100
   N  119.2900
   HN  7.1300
   CA  57.8900
   HA  4.0300
   CB  34.2400
   HB1  1.5400
   HB2  1.6300
   CG  24.8700
   HG1  1.1100
   HG2  0.4900
   CD  29.7400
   HD1  1.4800
   HD2  1.4100
   CE  41.7200
   HE1  2.7700
   HE2  2.7100
END_RES_DEF

RES_ID		49
RES_TYPE	TYR
SPIN_SYSTEM_ID	49
HETEROGENEITY	100
   N  118.6200
   HN  8.0100
   CA  56.6400
   HA  4.8100
   CB  37.4700
   HB#  3.0500
   CD1  133.2300
   HD1  7.3100
   CE1  117.6900
   HE1  6.8800
   CD2  133.2300
   HD2  7.3100
   CE2  117.6900
   HE2  6.8800
END_RES_DEF

RES_ID		50
RES_TYPE	SER
SPIN_SYSTEM_ID	50
HETEROGENEITY	100
   N  115.0900
   HN  7.8500
   CA  60.1700
   HA  4.4400
   CB  63.0200
   HB1  3.9000
   HB2  4.0200
END_RES_DEF

RES_ID		51
RES_TYPE	ASN
SPIN_SYSTEM_ID	51
HETEROGENEITY	100
   N  118.3500
   HN  9.1300
   CA  52.9500
   HA  4.8300
   CB  37.4900
   HB1  2.9900
   HB2  2.9200
   ND2  112.7300
   HD21  7.6400
   HD22  6.8400
END_RES_DEF

RES_ID		52
RES_TYPE	VAL
SPIN_SYSTEM_ID	52
HETEROGENEITY	100
   N  120.9500
   HN  7.5000
   CA  60.7700
   HA  4.4700
   CB  34.7800
   HB  2.1300
   CG1  22.6500
   HG1#  0.2400
   CG2  23.3900
   HG2#  0.8900
END_RES_DEF

RES_ID		53
RES_TYPE	ILE
SPIN_SYSTEM_ID	53
HETEROGENEITY	100
   N  127.7000
   HN  8.8600
   CA  59.9400
   HA  4.3700
   CB  38.6100
   HB  1.8900
   CG1  27.8200
   HG11  1.4200
   HG12  1.2900
   CG2  17.3800
   HG2#  0.8700
   CD1  12.8700
   HD1#  0.8700
END_RES_DEF

RES_ID		54
RES_TYPE	PHE
SPIN_SYSTEM_ID	54
HETEROGENEITY	100
   N  125.7300
   HN  8.6400
   CA  56.6500
   HA  5.2400
   CB  40.4900
   HB1  2.4000
   HB2  2.8000
   CD1  132.4400
   HD1  6.5900
   CD2  132.4400
   HD2  6.5900
   CE1  130.8900
   HE1  7.0800
   CE2  130.8900
   HE2  7.0800
   CZ  128.4400
   HZ  6.7200
END_RES_DEF

RES_ID		55
RES_TYPE	LEU
SPIN_SYSTEM_ID	55
HETEROGENEITY	100
   N  122.2300
   HN  9.3900
   CA  52.7200
   HA  5.3900
   CB  45.8500
   HB1  1.2600
   HB2  1.6500
   CG  26.9200
   HG  1.4900
   CD1  23.7900
   HD1#  0.8300
   CD2  25.6300
   HD2#  0.5600
END_RES_DEF

RES_ID		56
RES_TYPE	GLU
SPIN_SYSTEM_ID	56
HETEROGENEITY	100
   N  120.1600
   HN  8.5000
   CA  54.4600
   HA  4.9400
   CB  33.8500
   HB#  1.8500
   CG  36.8100
   HG1  2.1200
   HG2  1.9700
END_RES_DEF

RES_ID		57
RES_TYPE	VAL
SPIN_SYSTEM_ID	57
HETEROGENEITY	100
   CA  60.2500
   HA  4.0300
   CB  35.1700
   HB  1.1100
   CG1  21.3100
   HG1#  0.6100
   CG2  19.9700
   HG2#  0.1100
END_RES_DEF

RES_ID		58
RES_TYPE	ASP
SPIN_SYSTEM_ID	58
HETEROGENEITY	100
   N  129.1000
   HN  9.2000
   CA  52.7600
   HA  4.7800
   CB  42.1300
   HB1  2.8000
   HB2  2.2500
END_RES_DEF

RES_ID		59
RES_TYPE	VAL
SPIN_SYSTEM_ID	59
HETEROGENEITY	100
   N  117.6200
   HN  8.5700
   CA  64.3500
   HA  3.2700
   CB  31.6900
   HB  1.5700
   CG1  19.2900
   HG1#  1.0800
   CG2  21.9500
   HG2#  0.2700
END_RES_DEF

RES_ID		60
RES_TYPE	ASP
SPIN_SYSTEM_ID	60
HETEROGENEITY	100
   N  115.5200
   HN  7.7600
   CA  56.2100
   HA  4.8900
   CB  41.4000
   HB1  2.8600
   HB2  2.8000
END_RES_DEF

RES_ID		61
RES_TYPE	ASP
SPIN_SYSTEM_ID	61
HETEROGENEITY	100
   N  121.3900
   HN  8.2700
   CA  55.5400
   HA  4.6600
   CB  41.2600
   HB1  2.8500
   HB2  2.6600
END_RES_DEF

RES_ID		62
RES_TYPE	ALA
SPIN_SYSTEM_ID	62
HETEROGENEITY	100
   N  125.1700
   HN  8.1200
   CA  49.9200
   HA  4.9300
   CB  17.4100
   HB#  1.1500
END_RES_DEF

RES_ID		63
RES_TYPE	GLN
SPIN_SYSTEM_ID	63
HETEROGENEITY	100
   N  121.1100
   HN  7.9100
   CA  59.0900
   HA  4.1100
   CB  28.7600
   HB#  2.1400
   CG  33.9700
   HG1  2.5500
   HG2  2.3900
   NE2  111.6500
   HE21  7.6600
   HE22  6.8500
END_RES_DEF

RES_ID		64
RES_TYPE	ASP
SPIN_SYSTEM_ID	64
HETEROGENEITY	100
   N  118.0000
   HN  9.0100
   CA  56.3000
   HA  4.3500
   CB  38.8300
   HB1  2.8400
   HB2  2.6300
END_RES_DEF

RES_ID		65
RES_TYPE	VAL
SPIN_SYSTEM_ID	65
HETEROGENEITY	100
   N  122.2400
   HN  7.5300
   CA  65.3100
   HA  3.4700
   CB  31.3800
   HB  2.0100
   CG1  21.6700
   HG1#  0.4500
   CG2  22.3100
   HG2#  0.6600
END_RES_DEF

RES_ID		66
RES_TYPE	ALA
SPIN_SYSTEM_ID	66
HETEROGENEITY	100
   N  120.3700
   HN  7.7200
   CA  55.3700
   HA  3.8100
   CB  18.5600
   HB#  1.4200
END_RES_DEF

RES_ID		67
RES_TYPE	SER
SPIN_SYSTEM_ID	67
HETEROGENEITY	100
   N  113.0300
   HN  8.8700
   CA  61.6000
   HA  4.4600
   CB  62.7400
   HB#  4.0700
END_RES_DEF

RES_ID		68
RES_TYPE	GLU
SPIN_SYSTEM_ID	68
HETEROGENEITY	100
   N  124.1300
   HN  7.9800
   CA  59.0900
   HA  4.1100
   CB  28.7600
   HB#  2.1400
   CG  33.9300
   HG#  2.5300
END_RES_DEF

RES_ID		69
RES_TYPE	ALA
SPIN_SYSTEM_ID	69
HETEROGENEITY	100
   N  119.3700
   HN  7.4700
   CA  52.2200
   HA  4.4600
   CB  19.9300
   HB#  1.2400
END_RES_DEF

RES_ID		70
RES_TYPE	GLU
SPIN_SYSTEM_ID	70
HETEROGENEITY	100
   N  114.0700
   HN  7.8400
   CA  56.5900
   HA  3.8800
   CB  26.5000
   HB1  2.1600
   HB2  2.1200
   CG  36.2000
   HG#  2.1800
END_RES_DEF

RES_ID		71
RES_TYPE	VAL
SPIN_SYSTEM_ID	71
HETEROGENEITY	100
   N  118.8000
   HN  7.4100
   CA  63.8400
   HA  3.6200
   CB  31.7400
   HB  1.5500
   CG1  22.0300
   HG1#  0.6500
   CG2  21.9400
   HG2#  -0.1100
END_RES_DEF

RES_ID		72
RES_TYPE	LYS
SPIN_SYSTEM_ID	72
HETEROGENEITY	100
   N  123.7100
   HN  8.7800
   CA  55.0000
   HA  5.0000
   CB  34.1000
   HB1  2.0700
   HB2  1.6000
   CG  24.3100
   HG1  1.5900
   HG2  1.4100
   CD  29.1700
   HD1  1.7200
   HD2  1.6400
   CE  41.8100
   HE#  2.9400
END_RES_DEF

RES_ID		73
RES_TYPE	ALA
SPIN_SYSTEM_ID	73
HETEROGENEITY	100
   N  121.0000
   HN  7.6400
   CA  51.1700
   HA  5.1200
   CB  23.1500
   HB#  1.2800
END_RES_DEF

RES_ID		74
RES_TYPE	THR
SPIN_SYSTEM_ID	74
HETEROGENEITY	100
   N  110.9900
   HN  9.2100
   CA  57.5200
   HA  4.9000
   CB  71.1800
   HB  3.6700
   CG2  20.8400
   HG2#  0.6100
END_RES_DEF

RES_ID		75
RES_TYPE	PRO
SPIN_SYSTEM_ID	75
HETEROGENEITY	100
   CA  62.1900
   HA  5.1300
   CB  33.0000
   HB1  1.9700
   HB2  1.4200
   CG  24.3200
   HG#  1.9300
   CD  49.2600
   HD1  4.0400
   HD2  3.1600
END_RES_DEF

RES_ID		76
RES_TYPE	THR
SPIN_SYSTEM_ID	76
HETEROGENEITY	100
   N  119.0000
   HN  8.0700
   CA  62.8600
   HA  4.4700
   CB  72.7000
   HB  3.8400
   CG2  21.2300
   HG2#  1.1500
END_RES_DEF

RES_ID		77
RES_TYPE	PHE
SPIN_SYSTEM_ID	77
HETEROGENEITY	100
   N  125.4000
   HN  8.9300
   CA  55.4300
   HA  5.7000
   CB  40.7600
   HB1  2.2400
   HB2  2.0400
   CD1  132.8000
   HD1  6.4800
   CD2  132.8000
   HD2  6.4800
   CE1  129.9100
   HE1  7.0000
   CE2  129.9100
   HE2  7.0000
   CZ  128.3000
   HZ  6.9000
END_RES_DEF

RES_ID		78
RES_TYPE	GLN
SPIN_SYSTEM_ID	78
HETEROGENEITY	100
   N  118.6000
   HN  8.6400
   CA  54.4300
   HA  5.0300
   CB  33.2300
   HB1  1.9500
   HB2  2.1400
   CG  34.6500
   HG#  2.3700
   NE2  106.0800
   HE21  6.7500
   HE22  6.5600
END_RES_DEF

RES_ID		79
RES_TYPE	PHE
SPIN_SYSTEM_ID	79
HETEROGENEITY	100
   N  119.3400
   HN  8.0900
   CA  55.9100
   HA  5.5400
   CB  41.6700
   HB1  2.6200
   HB2  2.5000
   CD1  132.2300
   HD1  6.9500
   CE1  131.7200
   HE1  7.1400
   CD2  132.2300
   HD2  6.9500
   CE2  131.7200
   HE2  7.1400
   CZ  128.5200
   HZ  7.2200
END_RES_DEF

RES_ID		80
RES_TYPE	PHE
SPIN_SYSTEM_ID	80
HETEROGENEITY	100
   N  121.8400
   HN  10.0100
   CA  56.4700
   HA  5.6200
   CB  44.5500
   HB1  2.6200
   HB2  2.7200
   CD1  131.5600
   HD1  6.7400
   CE1  131.5400
   HE1  7.3700
   CD2  131.5600
   HD2  6.7400
   CE2  131.5400
   HE2  7.3700
   CZ  130.3200
   HZ  7.7900
END_RES_DEF

RES_ID		81
RES_TYPE	LYS
SPIN_SYSTEM_ID	81
HETEROGENEITY	100
   N  118.0400
   HN  8.8800
   CA  56.6100
   HA  4.5800
   CB  36.3400
   HB#  1.6800
   CG  26.0800
   HG#  1.4200
   CD  29.3100
   HD#  1.7600
   CE  42.1800
   HE#  3.0300
END_RES_DEF

RES_ID		82
RES_TYPE	LYS
SPIN_SYSTEM_ID	82
HETEROGENEITY	100
   N  128.3600
   HN  10.2100
   CA  56.9400
   HA  3.9900
   CB  30.0000
   HB1  2.1000
   HB2  1.8100
   CG  25.5700
   HG1  1.4900
   HG2  1.4100
   CD  29.3200
   HD#  1.7300
   CE  41.7800
   HE#  2.9900
END_RES_DEF

RES_ID		83
RES_TYPE	GLY
SPIN_SYSTEM_ID	83
HETEROGENEITY	100
   N  104.0900
   HN  9.3600
   CA  45.6400
   HA1  4.2000
   HA2  3.3600
END_RES_DEF

RES_ID		84
RES_TYPE	GLN
SPIN_SYSTEM_ID	84
HETEROGENEITY	100
   N  118.5700
   HN  7.7900
   CA  53.4000
   HA  4.7500
   CB  30.9900
   HB1  2.1400
   HB2  1.9900
   CG  33.3300
   HG#  2.3700
   NE2  112.7600
   HE21  7.5400
   HE22  6.8900
END_RES_DEF

RES_ID		85
RES_TYPE	LYS
SPIN_SYSTEM_ID	85
HETEROGENEITY	100
   N  125.8400
   HN  9.0100
   CA  57.3100
   HA  3.9700
   CB  31.5000
   HB1  1.7700
   HB2  1.3900
   CG  24.9900
   HG1  1.4900
   HG2  1.0800
   CD  29.3200
   HD#  1.7200
   CE  41.5900
   HE#  2.9300
END_RES_DEF

RES_ID		86
RES_TYPE	VAL
SPIN_SYSTEM_ID	86
HETEROGENEITY	100
   N  121.3000
   HN  9.2200
   CA  60.7800
   HA  4.5700
   CB  32.7600
   HB  2.4500
   CG1  21.7500
   HG1#  0.9700
   CG2  19.2500
   HG2#  0.6500
END_RES_DEF

RES_ID		87
RES_TYPE	GLY
SPIN_SYSTEM_ID	87
HETEROGENEITY	100
   N  107.8100
   HN  7.5000
   CA  45.8900
   HA1  4.3100
   HA2  3.7300
END_RES_DEF

RES_ID		88
RES_TYPE	GLU
SPIN_SYSTEM_ID	88
HETEROGENEITY	100
   N  117.9100
   HN  8.6300
   CA  56.2100
   HA  5.7400
   CB  32.7000
   HB1  2.3900
   HB2  2.1700
   CG  35.2900
   HG#  2.1600
END_RES_DEF

RES_ID		89
RES_TYPE	PHE
SPIN_SYSTEM_ID	89
HETEROGENEITY	100
   N  117.7000
   HN  8.9500
   CA  58.1800
   HA  5.0700
   CB  40.8300
   HB1  3.5600
   HB2  3.4100
   CD1  133.1600
   HD1  7.3600
   CE1  130.7700
   HE1  7.4100
   CD2  133.1600
   HD2  7.3600
   CE2  130.7700
   HE2  7.4100
   CZ  129.3500
   HZ  6.8000
END_RES_DEF

RES_ID		90
RES_TYPE	SER
SPIN_SYSTEM_ID	90
HETEROGENEITY	100
   N  114.8500
   HN  9.0500
   CA  57.0800
   HA  5.3400
   CB  66.2700
   HB1  3.8500
   HB2  3.6700
END_RES_DEF

RES_ID		91
RES_TYPE	GLY
SPIN_SYSTEM_ID	91
HETEROGENEITY	100
   N  109.1500
   HN  8.3000
   CA  43.3600
   HA1  4.6900
   HA2  3.8000
END_RES_DEF

RES_ID		92
RES_TYPE	ALA
SPIN_SYSTEM_ID	92
HETEROGENEITY	100
   N  124.5500
   HN  8.5900
   CA  51.3900
   HA  4.4100
   CB  18.0000
   HB#  1.4100
END_RES_DEF

RES_ID		93
RES_TYPE	ASN
SPIN_SYSTEM_ID	93
HETEROGENEITY	100
   N  124.1200
   HN  7.7200
   CA  51.8000
   HA  4.8900
   CB  38.8800
   HB1  2.9100
   HB2  2.6300
   ND2  112.9600
   HD21  7.6100
   HD22  7.0100
END_RES_DEF

RES_ID		94
RES_TYPE	LYS
SPIN_SYSTEM_ID	94
HETEROGENEITY	100
   N  124.6800
   HN  8.6300
   CA  60.4600
   HA  3.6500
   CB  32.2600
   HB1  1.3600
   HB2  1.0700
   CG  25.3200
   HG1  1.2300
   HG2  0.6300
   CD  29.0900
   HD1  1.0900
   HD2  0.9300
   CE  41.3600
   HE#  2.5900
END_RES_DEF

RES_ID		95
RES_TYPE	GLU
SPIN_SYSTEM_ID	95
HETEROGENEITY	100
   N  119.2300
   HN  8.3900
   CA  60.0200
   HA  4.1000
   CB  28.4600
   HB1  2.1200
   HB2  1.9400
   CG  37.0800
   HG1  2.4000
   HG2  2.2500
END_RES_DEF

RES_ID		96
RES_TYPE	LYS
SPIN_SYSTEM_ID	96
HETEROGENEITY	100
   N  121.0000
   HN  7.8000
   CA  58.1700
   HA  3.8800
   CB  32.5800
   HB1  0.9800
   HB2  1.3600
   CG  24.4400
   HG1  0.7000
   HG2  0.1800
   CD  29.0600
   HD1  1.1200
   HD2  0.8800
   CE  41.6400
   HE1  2.5600
   HE2  2.4200
END_RES_DEF

RES_ID		97
RES_TYPE	LEU
SPIN_SYSTEM_ID	97
HETEROGENEITY	100
   N  122.7000
   HN  8.0600
   CA  59.2800
   HA  4.2100
   CB  41.4300
   HB1  1.5300
   HB2  2.3500
   CG  26.8400
   HG  1.5900
   CD1  26.7300
   HD1#  0.8800
   CD2  22.5600
   HD2#  0.6700
END_RES_DEF

RES_ID		98
RES_TYPE	GLU
SPIN_SYSTEM_ID	98
HETEROGENEITY	100
   N  117.0600
   HN  7.8800
   CA  60.5100
   HA  3.8800
   CB  29.7000
   HB#  2.2700
   CG  36.9300
   HG1  2.5400
   HG2  2.3900
END_RES_DEF

RES_ID		99
RES_TYPE	ALA
SPIN_SYSTEM_ID	99
HETEROGENEITY	100
   N  120.1600
   HN  8.4000
   CA  55.3000
   HA  4.1000
   CB  18.4800
   HB#  1.3700
END_RES_DEF

RES_ID		100
RES_TYPE	THR
SPIN_SYSTEM_ID	100
HETEROGENEITY	100
   N  115.0100
   HN  8.0700
   CA  67.1900
   HA  3.6900
   CB  68.2400
   HB  3.9800
   CG2  20.5000
   HG2#  0.2700
END_RES_DEF

RES_ID		101
RES_TYPE	ILE
SPIN_SYSTEM_ID	101
HETEROGENEITY	100
   N  120.0200
   HN  7.4800
   CA  66.5500
   HA  3.2600
   CB  37.8700
   HB  1.7200
   CG1  30.6700
   HG11  0.7800
   HG12  0.7400
   CG2  16.2000
   HG2#  0.1800
   CD1  15.4200
   HD1#  0.8300
END_RES_DEF

RES_ID		102
RES_TYPE	ASN
SPIN_SYSTEM_ID	102
HETEROGENEITY	100
   N  113.0500
   HN  7.5200
   CA  56.5900
   HA  4.3300
   CB  39.2000
   HB#  2.7100
   ND2  113.4000
   HD21  7.3500
   HD22  7.2900
END_RES_DEF

RES_ID		103
RES_TYPE	GLU
SPIN_SYSTEM_ID	103
HETEROGENEITY	100
   N  118.0700
   HN  7.7600
   CA  58.0900
   HA  4.1300
   CB  30.1300
   HB1  2.0400
   HB2  2.1500
   CG  35.8100
   HG1  2.3900
   HG2  2.2400
END_RES_DEF

RES_ID		104
RES_TYPE	LEU
SPIN_SYSTEM_ID	104
HETEROGENEITY	100
   N  117.4000
   HN  7.3800
   CA  55.3800
   HA  4.4300
   CB  44.9700
   HB1  1.4400
   HB2  1.5900
   CG  26.4000
   HG  1.6000
   CD1  26.4500
   HD1#  0.3200
   CD2  22.0600
   HD2#  0.7200
END_RES_DEF

RES_ID		105
RES_TYPE	VAL
SPIN_SYSTEM_ID	105
HETEROGENEITY	100
   N  123.4600
   HN  7.5200
   CA  65.5100
   HA  3.8100
   CB  31.6700
   HB  2.1500
   CG1  21.6900
   HG1#  1.0100
   CG2  21.6900
   HG2#  1.0100
END_RES_DEF

RES_ID		106
RES_TYPE	PRO
SPIN_SYSTEM_ID	106
HETEROGENEITY	100
   HA  4.4100
   HB1  2.4700
   HB2  2.0300
   HG#  2.0700
   HD1  3.4900
   HD2  3.3700
END_RES_DEF

RES_ID		107
RES_TYPE	ALA
SPIN_SYSTEM_ID	107
HETEROGENEITY	100
   HA  4.4700
   HB#  1.4200
END_RES_DEF

RES_ID		108
RES_TYPE	THR
SPIN_SYSTEM_ID	108
HETEROGENEITY	100
   HN  8.3500
   HA  4.3400
   HB  4.1900
   HG2#  1.2300
END_RES_DEF

RES_ID		109
RES_TYPE	LEU
SPIN_SYSTEM_ID	109
HETEROGENEITY	100
   HN  8.4400
   HA  4.4600
   HB1  1.6100
   HB2  1.7000
   HG  1.7300
   HD1#  0.9900
   HD2#  0.9300
END_RES_DEF

RES_ID		110
RES_TYPE	LYS
SPIN_SYSTEM_ID	110
HETEROGENEITY	100
   HN  8.8400
   HA  4.4800
   HB#  1.8800
   HG1  1.5300
   HG2  1.4400
   HD#  1.6900
   HE1  3.0100
   HE2  3.4100
END_RES_DEF

RES_ID		111
RES_TYPE	ILE
SPIN_SYSTEM_ID	111
HETEROGENEITY	100
   HN  7.5500
   HA  3.7700
   HB  1.8000
   HG11  1.7100
   HG12  1.3000
   HG2#  0.7200
   HD1#  0.7900
END_RES_DEF

RES_ID		112
RES_TYPE	CYS
SPIN_SYSTEM_ID	112
HETEROGENEITY	100
   HN  9.0600
   HA  5.0600
   HB1  3.9000
   HB2  4.5000
END_RES_DEF

RES_ID		113
RES_TYPE	SER
SPIN_SYSTEM_ID	113
HETEROGENEITY	100
   HN  9.1400
   HA  5.0100
   HB1  4.0900
   HB2  2.9400
END_RES_DEF

RES_ID		114
RES_TYPE	TRP
SPIN_SYSTEM_ID	114
HETEROGENEITY	100
   HA  4.8400
   HB1  2.8000
   HB2  2.9500
   HD1  7.3600
   HE1  10.2500
   HE3  7.2200
   HZ2  7.3300
   HZ3  6.7600
   HH2  7.0700
END_RES_DEF

RES_ID		115
RES_TYPE	ASN
SPIN_SYSTEM_ID	115
HETEROGENEITY	100
   HN  8.1800
   HA  4.5600
   HB1  2.5000
   HB2  2.6800
   HD21  7.6400
   HD22  6.8400
END_RES_DEF

RES_ID		116
RES_TYPE	VAL
SPIN_SYSTEM_ID	116
HETEROGENEITY	100
END_RES_DEF

RES_ID		117
RES_TYPE	ASP
SPIN_SYSTEM_ID	117
HETEROGENEITY	100
END_RES_DEF

RES_ID		118
RES_TYPE	GLY
SPIN_SYSTEM_ID	118
HETEROGENEITY	100
END_RES_DEF

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1           HT1      MET   1  -8.759  -2.555   8.213
    2   2H    MET   1           HT3      MET   1  -8.731  -3.854   9.305
    3   3H    MET   1           HT2      MET   1  -9.879  -2.614   9.490
    4    HA   MET   1           HA       MET   1  -8.375  -1.117  10.323
    5   1HB   MET   1           HB2      MET   1  -7.302  -3.847  11.107
    6   2HB   MET   1           HB1      MET   1  -6.964  -2.345  11.961
    7   1HG   MET   1           HG2      MET   1  -9.736  -3.478  11.516
    8   2HG   MET   1           HG1      MET   1  -8.816  -3.651  13.008
    9   1HE   MET   1           HE3      MET   1  -7.965  -1.963  14.377
   10   2HE   MET   1           HE2      MET   1  -7.432  -0.587  13.410
   11   3HE   MET   1           HE1      MET   1  -8.661  -0.360  14.650
   12    H    VAL   2           HN       VAL   2  -5.842  -0.893  10.881
   13    HA   VAL   2           HA       VAL   2  -4.448  -1.041   8.240
   14    HB   VAL   2           HB       VAL   2  -3.822   0.539  10.757
   15   1HG1  VAL   2          HG12      VAL   2  -2.415   0.282   8.087
   16   2HG1  VAL   2          HG11      VAL   2  -2.212   1.702   9.110
   17   3HG1  VAL   2          HG13      VAL   2  -1.725   0.113   9.699
   18   1HG2  VAL   2          HG22      VAL   2  -5.807   1.288   9.462
   19   2HG2  VAL   2          HG21      VAL   2  -4.487   2.454   9.358
   20   3HG2  VAL   2          HG23      VAL   2  -4.811   1.365   8.010
   21    H    LYS   3           HN       LYS   3  -2.561  -2.229   7.982
   22    HA   LYS   3           HA       LYS   3  -1.423  -3.622  10.382
   23   1HB   LYS   3           HB2      LYS   3  -2.859  -5.180   9.095
   24   2HB   LYS   3           HB1      LYS   3  -1.935  -4.818   7.640
   25   1HG   LYS   3           HG2      LYS   3   0.021  -5.847   8.493
   26   2HG   LYS   3           HG1      LYS   3  -0.601  -5.893  10.136
   27   1HD   LYS   3           HD2      LYS   3  -2.344  -7.498   9.423
   28   2HD   LYS   3           HD1      LYS   3  -1.717  -7.442   7.777
   29   1HE   LYS   3           HE2      LYS   3   0.428  -8.354   8.527
   30   2HE   LYS   3           HE1      LYS   3  -0.126  -8.337  10.201
   31   1HZ   LYS   3           HZ3      LYS   3  -1.866  -9.714   8.342
   32   2HZ   LYS   3           HZ2      LYS   3  -0.349 -10.444   8.571
   33   3HZ   LYS   3           HZ1      LYS   3  -1.370 -10.163   9.900
   34    H    GLN   4           HN       GLN   4   0.738  -3.297  10.535
   35    HA   GLN   4           HA       GLN   4   2.159  -2.081   8.221
   36   1HB   GLN   4           HB2      GLN   4   2.375  -0.995  10.424
   37   2HB   GLN   4           HB1      GLN   4   3.009  -2.490  11.109
   38   1HG   GLN   4           HG2      GLN   4   4.916  -2.378   9.497
   39   2HG   GLN   4           HG1      GLN   4   4.296  -0.831   8.917
   40   1HE2  GLN   4          HE22      GLN   4   6.476   0.527  11.393
   41   2HE2  GLN   4          HE21      GLN   4   6.274   0.248   9.733
   42    H    ILE   5           HN       ILE   5   3.359  -3.378   6.924
   43    HA   ILE   5           HA       ILE   5   4.072  -6.122   7.881
   44    HB   ILE   5           HB       ILE   5   4.378  -4.961   5.093
   45   1HG1  ILE   5          HG12      ILE   5   2.008  -4.790   5.791
   46   2HG1  ILE   5          HG11      ILE   5   2.224  -5.995   4.527
   47   1HG2  ILE   5          HG21      ILE   5   4.376  -7.744   6.261
   48   2HG2  ILE   5          HG23      ILE   5   4.117  -7.448   4.550
   49   3HG2  ILE   5          HG22      ILE   5   5.630  -6.963   5.303
   50   1HD1  ILE   5          HD12      ILE   5   2.254  -7.776   6.283
   51   2HD1  ILE   5          HD11      ILE   5   1.930  -6.541   7.494
   52   3HD1  ILE   5          HD13      ILE   5   0.742  -6.875   6.245
   53    H    GLU   6           HN       GLU   6   6.103  -6.243   8.738
   54    HA   GLU   6           HA       GLU   6   8.173  -4.300   7.855
   55   1HB   GLU   6           HB2      GLU   6   8.168  -6.280  10.155
   56   2HB   GLU   6           HB1      GLU   6   9.405  -5.065   9.836
   57   1HG   GLU   6           HG2      GLU   6   8.065  -3.988  11.427
   58   2HG   GLU   6           HG1      GLU   6   7.420  -3.369   9.911
   59    H    SER   7           HN       SER   7   7.111  -7.340   6.996
   60    HA   SER   7           HA       SER   7   9.704  -7.943   5.722
   61   1HB   SER   7           HB2      SER   7   9.829 -10.229   6.647
   62   2HB   SER   7           HB1      SER   7   9.977  -9.008   7.914
   63    HG   SER   7           HG       SER   7   7.763 -10.632   7.223
   64    H    LYS   8           HN       LYS   8   9.567  -9.611   4.115
   65    HA   LYS   8           HA       LYS   8   7.107  -9.648   2.639
   66   1HB   LYS   8           HB2      LYS   8   9.447 -10.045   1.706
   67   2HB   LYS   8           HB1      LYS   8   9.348 -11.659   2.419
   68   1HG   LYS   8           HG2      LYS   8   7.291 -12.104   1.136
   69   2HG   LYS   8           HG1      LYS   8   7.410 -10.504   0.404
   70   1HD   LYS   8           HD2      LYS   8   8.317 -12.223  -1.109
   71   2HD   LYS   8           HD1      LYS   8   9.584 -11.114  -0.595
   72   1HE   LYS   8           HE2      LYS   8  10.603 -12.707   0.773
   73   2HE   LYS   8           HE1      LYS   8   9.115 -13.633   0.985
   74   1HZ   LYS   8           HZ2      LYS   8  10.305 -13.393  -1.692
   75   2HZ   LYS   8           HZ1      LYS   8  10.973 -14.493  -0.582
   76   3HZ   LYS   8           HZ3      LYS   8   9.349 -14.638  -1.045
   77    H    THR   9           HN       THR   9   8.522 -11.736   5.062
   78    HA   THR   9           HA       THR   9   6.881 -14.020   4.704
   79    HB   THR   9           HB       THR   9   7.970 -12.863   7.285
   80    HG1  THR   9           HG1      THR   9   9.815 -13.579   6.623
   81   1HG2  THR   9          HG23      THR   9   6.838 -15.550   6.526
   82   2HG2  THR   9          HG22      THR   9   7.969 -15.378   7.867
   83   3HG2  THR   9          HG21      THR   9   6.425 -14.529   7.903
   84    H    ALA  10           HN       ALA  10   6.413 -11.135   6.721
   85    HA   ALA  10           HA       ALA  10   3.796 -11.927   7.640
   86   1HB   ALA  10           HB3      ALA  10   5.370  -9.359   7.628
   87   2HB   ALA  10           HB2      ALA  10   3.658  -9.318   8.049
   88   3HB   ALA  10           HB1      ALA  10   4.779 -10.291   9.001
   89    H    PHE  11           HN       PHE  11   5.005 -10.245   4.809
   90    HA   PHE  11           HA       PHE  11   2.594  -9.041   3.876
   91   1HB   PHE  11           HB2      PHE  11   4.956  -8.784   2.914
   92   2HB   PHE  11           HB1      PHE  11   4.728 -10.344   2.151
   93    HD1  PHE  11           HD1      PHE  11   2.879  -7.101   2.540
   94    HD2  PHE  11           HD2      PHE  11   3.938 -10.364  -0.046
   95    HE1  PHE  11           HE1      PHE  11   1.696  -6.001   0.659
   96    HE2  PHE  11           HE2      PHE  11   2.752  -9.268  -1.922
   97    HZ   PHE  11           HZ       PHE  11   1.629  -7.088  -1.569
   98    H    GLN  12           HN       GLN  12   3.926 -12.287   3.432
   99    HA   GLN  12           HA       GLN  12   1.864 -13.241   1.662
  100   1HB   GLN  12           HB2      GLN  12   3.668 -14.726   3.622
  101   2HB   GLN  12           HB1      GLN  12   2.711 -15.491   2.352
  102   1HG   GLN  12           HG2      GLN  12   4.829 -13.376   1.860
  103   2HG   GLN  12           HG1      GLN  12   5.088 -15.114   1.670
  104   1HE2  GLN  12          HE22      GLN  12   2.855 -15.312  -1.206
  105   2HE2  GLN  12          HE21      GLN  12   3.242 -16.177   0.203
  106    H    GLU  13           HN       GLU  13   2.309 -13.325   5.171
  107    HA   GLU  13           HA       GLU  13  -0.050 -14.836   5.786
  108   1HB   GLU  13           HB2      GLU  13   1.764 -12.991   7.326
  109   2HB   GLU  13           HB1      GLU  13   0.299 -13.595   8.083
  110   1HG   GLU  13           HG2      GLU  13   2.233 -15.043   8.593
  111   2HG   GLU  13           HG1      GLU  13   1.025 -15.913   7.650
  112    H    ALA  14           HN       ALA  14   0.520 -11.338   5.510
  113    HA   ALA  14           HA       ALA  14  -2.095 -10.583   6.422
  114   1HB   ALA  14           HB2      ALA  14  -0.184  -9.117   4.580
  115   2HB   ALA  14           HB1      ALA  14  -1.589  -8.397   5.362
  116   3HB   ALA  14           HB3      ALA  14  -0.238  -8.976   6.337
  117    H    LEU  15           HN       LEU  15  -0.784 -11.327   3.191
  118    HA   LEU  15           HA       LEU  15  -3.110 -10.568   1.721
  119   1HB   LEU  15           HB2      LEU  15  -1.006 -12.674   1.163
  120   2HB   LEU  15           HB1      LEU  15  -2.269 -12.241   0.014
  121    HG   LEU  15           HG       LEU  15  -0.380 -10.200   1.208
  122   1HD1  LEU  15          HD13      LEU  15  -0.072 -11.964  -1.219
  123   2HD1  LEU  15          HD12      LEU  15   0.717 -10.391  -1.133
  124   3HD1  LEU  15          HD11      LEU  15   1.096 -11.633   0.059
  125   1HD2  LEU  15          HD22      LEU  15  -2.364 -10.213  -1.071
  126   2HD2  LEU  15          HD21      LEU  15  -2.218  -9.064   0.252
  127   3HD2  LEU  15          HD23      LEU  15  -1.030  -9.061  -1.044
  128    H    ASP  16           HN       ASP  16  -2.172 -13.558   3.329
  129    HA   ASP  16           HA       ASP  16  -4.454 -15.072   2.471
  130   1HB   ASP  16           HB2      ASP  16  -2.244 -15.981   3.348
  131   2HB   ASP  16           HB1      ASP  16  -2.834 -15.586   4.969
  132    H    ALA  17           HN       ALA  17  -3.791 -13.019   5.263
  133    HA   ALA  17           HA       ALA  17  -6.134 -13.757   6.758
  134   1HB   ALA  17           HB1      ALA  17  -4.346 -11.322   6.790
  135   2HB   ALA  17           HB3      ALA  17  -5.725 -11.489   7.877
  136   3HB   ALA  17           HB2      ALA  17  -4.396 -12.647   7.954
  137    H    ALA  18           HN       ALA  18  -5.509 -11.299   4.294
  138    HA   ALA  18           HA       ALA  18  -7.971  -9.864   4.564
  139   1HB   ALA  18           HB3      ALA  18  -6.104 -10.303   2.230
  140   2HB   ALA  18           HB2      ALA  18  -7.528  -9.265   2.123
  141   3HB   ALA  18           HB1      ALA  18  -6.231  -8.873   3.257
  142    H    GLY  19           HN       GLY  19  -7.114 -12.825   2.853
  143   1HA   GLY  19           HA2      GLY  19  -8.521 -14.463   1.925
  144   2HA   GLY  19           HA1      GLY  19  -9.869 -13.653   2.730
  145    H    ASP  20           HN       ASP  20 -11.375 -13.140   1.214
  146    HA   ASP  20           HA       ASP  20 -10.534 -12.512  -1.547
  147   1HB   ASP  20           HB2      ASP  20 -13.298 -12.703  -0.311
  148   2HB   ASP  20           HB1      ASP  20 -12.942 -12.545  -2.032
  149    H    LYS  21           HN       LYS  21 -10.750 -10.696   1.198
  150    HA   LYS  21           HA       LYS  21 -12.249  -8.413   0.200
  151   1HB   LYS  21           HB2      LYS  21 -10.258  -8.688   2.470
  152   2HB   LYS  21           HB1      LYS  21 -11.215  -7.238   2.155
  153   1HG   LYS  21           HG2      LYS  21 -13.265  -8.850   2.244
  154   2HG   LYS  21           HG1      LYS  21 -12.155  -9.963   3.042
  155   1HD   LYS  21           HD2      LYS  21 -11.608  -8.138   4.677
  156   2HD   LYS  21           HD1      LYS  21 -12.882  -7.166   3.942
  157   1HE   LYS  21           HE2      LYS  21 -13.328  -9.930   5.089
  158   2HE   LYS  21           HE1      LYS  21 -13.612  -8.441   5.986
  159   1HZ   LYS  21           HZ2      LYS  21 -14.901  -9.150   3.403
  160   2HZ   LYS  21           HZ1      LYS  21 -15.633  -9.298   4.928
  161   3HZ   LYS  21           HZ3      LYS  21 -15.216  -7.764   4.337
  162    H    LEU  22           HN       LEU  22 -11.381  -6.393  -0.558
  163    HA   LEU  22           HA       LEU  22  -9.151  -6.581  -2.301
  164   1HB   LEU  22           HB2      LEU  22 -11.154  -4.725  -1.840
  165   2HB   LEU  22           HB1      LEU  22  -9.753  -3.883  -1.206
  166    HG   LEU  22           HG       LEU  22 -10.102  -4.954  -4.012
  167   1HD1  LEU  22          HD13      LEU  22 -10.528  -2.336  -2.721
  168   2HD1  LEU  22          HD12      LEU  22  -9.414  -2.226  -4.079
  169   3HD1  LEU  22          HD11      LEU  22 -11.024  -2.897  -4.314
  170   1HD2  LEU  22          HD22      LEU  22  -7.681  -3.836  -2.586
  171   2HD2  LEU  22          HD21      LEU  22  -7.788  -5.294  -3.575
  172   3HD2  LEU  22          HD23      LEU  22  -7.853  -3.710  -4.333
  173    H    VAL  23           HN       VAL  23  -6.999  -5.587  -2.013
  174    HA   VAL  23           HA       VAL  23  -6.196  -5.000   0.788
  175    HB   VAL  23           HB       VAL  23  -4.825  -7.020  -1.017
  176   1HG1  VAL  23          HG11      VAL  23  -4.103  -5.778   1.640
  177   2HG1  VAL  23          HG13      VAL  23  -3.463  -7.347   1.158
  178   3HG1  VAL  23          HG12      VAL  23  -3.114  -5.917   0.188
  179   1HG2  VAL  23          HG22      VAL  23  -6.408  -7.297   1.547
  180   2HG2  VAL  23          HG21      VAL  23  -6.771  -8.027  -0.017
  181   3HG2  VAL  23          HG23      VAL  23  -5.367  -8.565   0.903
  182    H    VAL  24           HN       VAL  24  -5.392  -2.941   0.516
  183    HA   VAL  24           HA       VAL  24  -3.879  -2.322  -1.974
  184    HB   VAL  24           HB       VAL  24  -4.638  -0.413   0.262
  185   1HG1  VAL  24          HG13      VAL  24  -2.854   0.241  -1.401
  186   2HG1  VAL  24          HG12      VAL  24  -4.066   0.085  -2.673
  187   3HG1  VAL  24          HG11      VAL  24  -4.268   1.296  -1.408
  188   1HG2  VAL  24          HG22      VAL  24  -6.199  -1.304  -2.175
  189   2HG2  VAL  24          HG21      VAL  24  -6.730  -1.274  -0.493
  190   3HG2  VAL  24          HG23      VAL  24  -6.504   0.238  -1.373
  191    H    VAL  25           HN       VAL  25  -1.657  -1.760  -1.877
  192    HA   VAL  25           HA       VAL  25  -0.344  -2.022   0.818
  193    HB   VAL  25           HB       VAL  25   0.818  -2.914  -1.836
  194   1HG1  VAL  25          HG12      VAL  25   2.390  -2.257   0.029
  195   2HG1  VAL  25          HG11      VAL  25   1.674  -3.553   0.991
  196   3HG1  VAL  25          HG13      VAL  25   2.538  -3.933  -0.498
  197   1HG2  VAL  25          HG22      VAL  25  -1.167  -4.286  -1.116
  198   2HG2  VAL  25          HG21      VAL  25   0.346  -5.190  -1.153
  199   3HG2  VAL  25          HG23      VAL  25  -0.310  -4.635   0.384
  200    H    ASP  26           HN       ASP  26   0.756  -0.229   1.382
  201    HA   ASP  26           HA       ASP  26   1.458   1.756  -0.757
  202   1HB   ASP  26           HB2      ASP  26   0.081   2.597   1.116
  203   2HB   ASP  26           HB1      ASP  26   1.320   2.095   2.267
  204    H    PHE  27           HN       PHE  27   3.539   1.698  -1.426
  205    HA   PHE  27           HA       PHE  27   5.653   0.572   0.342
  206   1HB   PHE  27           HB2      PHE  27   5.570   1.213  -2.618
  207   2HB   PHE  27           HB1      PHE  27   7.070   0.803  -1.777
  208    HD1  PHE  27           HD1      PHE  27   7.291  -1.418  -0.630
  209    HD2  PHE  27           HD2      PHE  27   3.978  -0.475  -3.194
  210    HE1  PHE  27           HE1      PHE  27   6.788  -3.836  -0.868
  211    HE2  PHE  27           HE2      PHE  27   3.478  -2.888  -3.411
  212    HZ   PHE  27           HZ       PHE  27   4.875  -4.568  -2.259
  213    H    SER  28           HN       SER  28   4.368   3.348   0.544
  214    HA   SER  28           HA       SER  28   6.219   5.304  -0.307
  215   1HB   SER  28           HB2      SER  28   4.564   5.346   2.225
  216   2HB   SER  28           HB1      SER  28   5.331   6.737   1.473
  217    HG   SER  28           HG       SER  28   2.981   6.101   0.982
  218    H    ALA  29           HN       ALA  29   7.952   6.316   0.687
  219    HA   ALA  29           HA       ALA  29   9.484   4.600   2.534
  220   1HB   ALA  29           HB1      ALA  29  10.069   6.947   0.760
  221   2HB   ALA  29           HB3      ALA  29  11.093   6.751   2.184
  222   3HB   ALA  29           HB2      ALA  29  10.993   5.462   0.984
  223    H    THR  30           HN       THR  30   9.379   4.935   4.720
  224    HA   THR  30           HA       THR  30   7.813   7.107   5.792
  225    HB   THR  30           HB       THR  30   8.095   4.977   7.029
  226    HG1  THR  30           HG1      THR  30   9.345   7.068   8.463
  227   1HG2  THR  30          HG23      THR  30  10.535   4.735   6.293
  228   2HG2  THR  30          HG22      THR  30  10.930   5.866   7.588
  229   3HG2  THR  30          HG21      THR  30  10.182   4.314   7.968
  230    H    TRP  31           HN       TRP  31  11.228   6.589   5.140
  231    HA   TRP  31           HA       TRP  31  12.189   8.871   6.647
  232   1HB   TRP  31           HB2      TRP  31  14.272   8.553   5.428
  233   2HB   TRP  31           HB1      TRP  31  13.649   6.992   5.955
  234    HD1  TRP  31           HD1      TRP  31  13.051   5.267   4.183
  235    HE1  TRP  31           HE1      TRP  31  13.245   5.161   1.618
  236    HE3  TRP  31           HE3      TRP  31  13.956  10.184   3.177
  237    HZ2  TRP  31           HZ2      TRP  31  13.671   6.938  -0.573
  238    HZ3  TRP  31           HZ3      TRP  31  14.220  10.954   0.835
  239    HH2  TRP  31           HH2      TRP  31  14.082   9.337  -1.034
  240    H    CYS  32           HN       CYS  32  10.763   8.508   3.477
  241    HA   CYS  32           HA       CYS  32  11.745  11.147   2.596
  242   1HB   CYS  32           HB2      CYS  32  11.279   9.095   1.065
  243   2HB   CYS  32           HB1      CYS  32   9.583   9.524   1.236
  244    H    GLY  33           HN       GLY  33  10.795  12.950   3.284
  245   1HA   GLY  33           HA2      GLY  33   8.476  13.048   4.908
  246   2HA   GLY  33           HA1      GLY  33   9.196  14.438   4.104
  247    HA   PRO  34           HA       PRO  34   6.105  14.757   0.967
  248   1HB   PRO  34           HB2      PRO  34   7.599  13.193  -1.088
  249   2HB   PRO  34           HB1      PRO  34   6.983  14.852  -1.166
  250   1HG   PRO  34           HG2      PRO  34   9.632  14.283  -0.884
  251   2HG   PRO  34           HG1      PRO  34   8.893  15.748  -0.218
  252   1HD   PRO  34           HD2      PRO  34   9.851  13.330   1.212
  253   2HD   PRO  34           HD1      PRO  34   9.643  14.983   1.831
  254    H    ALA  35           HN       ALA  35   7.550  11.515   0.975
  255    HA   ALA  35           HA       ALA  35   5.152  10.214  -0.017
  256   1HB   ALA  35           HB1      ALA  35   7.675   9.462  -0.071
  257   2HB   ALA  35           HB3      ALA  35   7.306   8.765   1.506
  258   3HB   ALA  35           HB2      ALA  35   6.409   8.250   0.075
  259    H    LYS  36           HN       LYS  36   6.753  10.216   3.206
  260    HA   LYS  36           HA       LYS  36   4.665   8.811   4.540
  261   1HB   LYS  36           HB2      LYS  36   6.970   9.309   5.473
  262   2HB   LYS  36           HB1      LYS  36   6.403  10.948   5.792
  263   1HG   LYS  36           HG2      LYS  36   4.508   9.987   7.121
  264   2HG   LYS  36           HG1      LYS  36   5.210   8.386   6.892
  265   1HD   LYS  36           HD2      LYS  36   7.301   9.178   7.995
  266   2HD   LYS  36           HD1      LYS  36   6.521  10.732   8.301
  267   1HE   LYS  36           HE2      LYS  36   4.713   9.522   9.542
  268   2HE   LYS  36           HE1      LYS  36   5.620   8.025   9.330
  269   1HZ   LYS  36           HZ1      LYS  36   7.495   9.087  10.481
  270   2HZ   LYS  36           HZ3      LYS  36   6.535  10.458  10.763
  271   3HZ   LYS  36           HZ2      LYS  36   6.112   8.968  11.463
  272    H    MET  37           HN       MET  37   5.101  12.242   3.856
  273    HA   MET  37           HA       MET  37   3.049  13.291   5.502
  274   1HB   MET  37           HB2      MET  37   4.766  14.618   4.246
  275   2HB   MET  37           HB1      MET  37   3.869  14.302   2.764
  276   1HG   MET  37           HG2      MET  37   2.538  15.555   5.171
  277   2HG   MET  37           HG1      MET  37   3.396  16.530   3.982
  278   1HE   MET  37           HE3      MET  37   0.967  17.395   4.545
  279   2HE   MET  37           HE2      MET  37   1.199  17.946   2.889
  280   3HE   MET  37           HE1      MET  37  -0.325  17.199   3.354
  281    H    ILE  38           HN       ILE  38   2.868  11.657   2.402
  282    HA   ILE  38           HA       ILE  38   0.069  12.409   1.973
  283    HB   ILE  38           HB       ILE  38   1.829  10.388   0.561
  284   1HG1  ILE  38          HG12      ILE  38   0.985  13.103  -0.467
  285   2HG1  ILE  38          HG11      ILE  38   2.411  12.935   0.555
  286   1HG2  ILE  38          HG23      ILE  38  -0.995  11.335   0.127
  287   2HG2  ILE  38          HG22      ILE  38  -0.004  10.968  -1.284
  288   3HG2  ILE  38          HG21      ILE  38  -0.311   9.722  -0.077
  289   1HD1  ILE  38          HD12      ILE  38   3.312  11.246  -1.018
  290   2HD1  ILE  38          HD11      ILE  38   1.918  11.512  -2.065
  291   3HD1  ILE  38          HD13      ILE  38   3.071  12.817  -1.775
  292    H    LYS  39           HN       LYS  39   1.446  10.247   4.105
  293    HA   LYS  39           HA       LYS  39  -0.186   7.957   3.573
  294   1HB   LYS  39           HB2      LYS  39   0.561   6.970   5.532
  295   2HB   LYS  39           HB1      LYS  39   1.914   7.958   5.017
  296   1HG   LYS  39           HG2      LYS  39   1.342   9.671   6.671
  297   2HG   LYS  39           HG1      LYS  39  -0.095   8.785   7.157
  298   1HD   LYS  39           HD2      LYS  39   2.802   7.983   7.529
  299   2HD   LYS  39           HD1      LYS  39   1.620   8.360   8.781
  300   1HE   LYS  39           HE2      LYS  39   0.274   6.357   7.737
  301   2HE   LYS  39           HE1      LYS  39   1.848   5.888   7.089
  302   1HZ   LYS  39           HZ1      LYS  39   1.593   6.595   9.927
  303   2HZ   LYS  39           HZ3      LYS  39   1.108   5.056   9.407
  304   3HZ   LYS  39           HZ2      LYS  39   2.713   5.568   9.169
  305    HA   PRO  40           HA       PRO  40  -3.048   9.892   7.095
  306   1HB   PRO  40           HB2      PRO  40  -3.578  12.412   5.590
  307   2HB   PRO  40           HB1      PRO  40  -3.431  12.155   7.340
  308   1HG   PRO  40           HG2      PRO  40  -1.486  13.380   5.939
  309   2HG   PRO  40           HG1      PRO  40  -1.113  12.307   7.299
  310   1HD   PRO  40           HD2      PRO  40  -0.855  11.789   4.380
  311   2HD   PRO  40           HD1      PRO  40   0.161  11.193   5.699
  312    H    PHE  41           HN       PHE  41  -3.399  10.631   3.606
  313    HA   PHE  41           HA       PHE  41  -6.238  10.062   3.615
  314   1HB   PHE  41           HB2      PHE  41  -4.110  10.249   1.480
  315   2HB   PHE  41           HB1      PHE  41  -5.736   9.703   1.089
  316    HD1  PHE  41           HD2      PHE  41  -3.857  12.519   2.695
  317    HD2  PHE  41           HD1      PHE  41  -7.478  11.246   0.767
  318    HE1  PHE  41           HE2      PHE  41  -4.656  14.870   2.639
  319    HE2  PHE  41           HE1      PHE  41  -8.274  13.595   0.713
  320    HZ   PHE  41           HZ       PHE  41  -6.865  15.408   1.649
  321    H    PHE  42           HN       PHE  42  -3.343   8.161   2.793
  322    HA   PHE  42           HA       PHE  42  -4.665   5.740   2.079
  323   1HB   PHE  42           HB2      PHE  42  -2.279   6.211   1.655
  324   2HB   PHE  42           HB1      PHE  42  -1.961   6.189   3.394
  325    HD1  PHE  42           HD1      PHE  42  -3.150   4.111   0.542
  326    HD2  PHE  42           HD2      PHE  42  -1.655   4.143   4.573
  327    HE1  PHE  42           HE1      PHE  42  -2.933   1.641   0.484
  328    HE2  PHE  42           HE2      PHE  42  -1.436   1.675   4.510
  329    HZ   PHE  42           HZ       PHE  42  -2.080   0.423   2.467
  330    H    HIS  43           HN       HIS  43  -3.231   6.716   5.206
  331    HA   HIS  43           HA       HIS  43  -4.222   4.444   6.673
  332   1HB   HIS  43           HB2      HIS  43  -2.262   5.740   7.404
  333   2HB   HIS  43           HB1      HIS  43  -3.270   7.168   7.624
  334    HD1  HIS  43           HD1      HIS  43  -2.340   3.924   9.241
  335    HD2  HIS  43           HD2      HIS  43  -5.015   7.050   9.883
  336    HE1  HIS  43           HE1      HIS  43  -3.337   3.555  11.545
  337    H    SER  44           HN       SER  44  -5.406   7.807   6.361
  338    HA   SER  44           HA       SER  44  -7.559   7.590   8.197
  339   1HB   SER  44           HB2      SER  44  -7.447   9.295   5.698
  340   2HB   SER  44           HB1      SER  44  -8.586   9.492   7.024
  341    HG   SER  44           HG       SER  44  -6.299  10.628   6.850
  342    H    LEU  45           HN       LEU  45  -7.444   6.823   4.724
  343    HA   LEU  45           HA       LEU  45 -10.242   6.385   4.398
  344   1HB   LEU  45           HB2      LEU  45  -7.867   5.283   2.918
  345   2HB   LEU  45           HB1      LEU  45  -9.522   4.968   2.420
  346    HG   LEU  45           HG       LEU  45  -8.569   7.805   2.879
  347   1HD1  LEU  45          HD13      LEU  45  -7.027   6.685   1.263
  348   2HD1  LEU  45          HD12      LEU  45  -8.420   6.271   0.267
  349   3HD1  LEU  45          HD11      LEU  45  -7.985   7.962   0.516
  350   1HD2  LEU  45          HD23      LEU  45 -10.834   6.489   1.352
  351   2HD2  LEU  45          HD22      LEU  45 -10.935   7.703   2.627
  352   3HD2  LEU  45          HD21      LEU  45 -10.341   8.148   1.030
  353    H    SER  46           HN       SER  46  -7.849   4.430   5.938
  354    HA   SER  46           HA       SER  46  -8.795   1.838   5.524
  355   1HB   SER  46           HB2      SER  46  -7.865   3.036   8.162
  356   2HB   SER  46           HB1      SER  46  -7.939   1.319   7.791
  357    HG   SER  46           HG       SER  46  -6.607   2.745   5.886
  358    H    GLU  47           HN       GLU  47 -10.122   4.350   7.688
  359    HA   GLU  47           HA       GLU  47 -12.281   2.539   8.554
  360   1HB   GLU  47           HB2      GLU  47 -11.758   5.488   9.064
  361   2HB   GLU  47           HB1      GLU  47 -13.103   4.584   9.761
  362   1HG   GLU  47           HG2      GLU  47 -10.199   3.792  10.091
  363   2HG   GLU  47           HG1      GLU  47 -11.095   4.747  11.275
  364    H    LYS  48           HN       LYS  48 -11.683   4.640   5.906
  365    HA   LYS  48           HA       LYS  48 -14.462   5.395   5.463
  366   1HB   LYS  48           HB2      LYS  48 -12.533   6.722   4.569
  367   2HB   LYS  48           HB1      LYS  48 -12.137   5.374   3.506
  368   1HG   LYS  48           HG2      LYS  48 -13.410   6.981   2.234
  369   2HG   LYS  48           HG1      LYS  48 -14.429   5.567   2.502
  370   1HD   LYS  48           HD2      LYS  48 -15.765   6.670   4.093
  371   2HD   LYS  48           HD1      LYS  48 -14.538   7.890   4.427
  372   1HE   LYS  48           HE2      LYS  48 -16.058   7.620   1.818
  373   2HE   LYS  48           HE1      LYS  48 -16.435   8.783   3.089
  374   1HZ   LYS  48           HZ3      LYS  48 -14.099   9.589   2.852
  375   2HZ   LYS  48           HZ2      LYS  48 -13.962   8.618   1.465
  376   3HZ   LYS  48           HZ1      LYS  48 -15.092   9.886   1.509
  377    H    TYR  49           HN       TYR  49 -12.250   2.886   4.430
  378    HA   TYR  49           HA       TYR  49 -14.559   1.349   3.266
  379   1HB   TYR  49           HB2      TYR  49 -11.672   1.414   2.297
  380   2HB   TYR  49           HB1      TYR  49 -12.916   0.327   1.683
  381    HD1  TYR  49           HD2      TYR  49 -15.037   1.362   0.694
  382    HD2  TYR  49           HD1      TYR  49 -11.442   3.608   1.399
  383    HE1  TYR  49           HE2      TYR  49 -15.821   3.107  -0.880
  384    HE2  TYR  49           HE1      TYR  49 -12.227   5.357  -0.178
  385    HH   TYR  49           HH       TYR  49 -14.170   5.119  -2.378
  386    H    SER  50           HN       SER  50 -14.481   0.802   5.691
  387    HA   SER  50           HA       SER  50 -12.317  -0.711   6.767
  388   1HB   SER  50           HB2      SER  50 -13.823  -1.260   8.556
  389   2HB   SER  50           HB1      SER  50 -14.189   0.381   8.062
  390    HG   SER  50           HG       SER  50 -15.652  -1.140   6.538
  391    H    ASN  51           HN       ASN  51 -14.433  -1.444   4.288
  392    HA   ASN  51           HA       ASN  51 -14.432  -4.366   4.776
  393   1HB   ASN  51           HB2      ASN  51 -16.434  -3.121   3.793
  394   2HB   ASN  51           HB1      ASN  51 -15.461  -2.880   2.344
  395   1HD2  ASN  51          HD22      ASN  51 -16.094  -6.125   1.138
  396   2HD2  ASN  51          HD21      ASN  51 -15.530  -4.557   0.820
  397    H    VAL  52           HN       VAL  52 -12.190  -2.283   3.933
  398    HA   VAL  52           HA       VAL  52 -10.904  -4.096   1.944
  399    HB   VAL  52           HB       VAL  52 -10.990  -1.066   1.984
  400   1HG1  VAL  52          HG11      VAL  52  -8.971  -2.941   0.763
  401   2HG1  VAL  52          HG13      VAL  52  -9.365  -1.426  -0.055
  402   3HG1  VAL  52          HG12      VAL  52  -8.710  -1.404   1.581
  403   1HG2  VAL  52          HG21      VAL  52 -11.686  -3.205  -0.050
  404   2HG2  VAL  52          HG23      VAL  52 -12.779  -2.046   0.707
  405   3HG2  VAL  52          HG22      VAL  52 -11.571  -1.493  -0.451
  406    H    ILE  53           HN       ILE  53  -8.729  -4.545   2.410
  407    HA   ILE  53           HA       ILE  53  -7.808  -3.646   5.112
  408    HB   ILE  53           HB       ILE  53  -6.664  -5.802   3.316
  409   1HG1  ILE  53          HG12      ILE  53  -8.956  -6.410   3.736
  410   2HG1  ILE  53          HG11      ILE  53  -7.957  -7.365   4.829
  411   1HG2  ILE  53          HG21      ILE  53  -5.320  -4.831   5.281
  412   2HG2  ILE  53          HG23      ILE  53  -6.507  -5.608   6.323
  413   3HG2  ILE  53          HG22      ILE  53  -5.519  -6.579   5.232
  414   1HD1  ILE  53          HD12      ILE  53  -8.359  -5.445   6.533
  415   2HD1  ILE  53          HD11      ILE  53  -9.682  -4.975   5.466
  416   3HD1  ILE  53          HD13      ILE  53  -9.687  -6.568   6.224
  417    H    PHE  54           HN       PHE  54  -6.329  -2.025   5.200
  418    HA   PHE  54           HA       PHE  54  -4.702  -1.420   2.762
  419   1HB   PHE  54           HB2      PHE  54  -5.259   0.192   5.268
  420   2HB   PHE  54           HB1      PHE  54  -4.191   0.713   3.970
  421    HD1  PHE  54           HD1      PHE  54  -7.701  -0.440   4.604
  422    HD2  PHE  54           HD2      PHE  54  -5.075   1.874   2.127
  423    HE1  PHE  54           HE1      PHE  54  -9.651   0.472   3.372
  424    HE2  PHE  54           HE2      PHE  54  -7.016   2.776   0.889
  425    HZ   PHE  54           HZ       PHE  54  -9.308   2.074   1.513
  426    H    LEU  55           HN       LEU  55  -2.561  -1.951   2.757
  427    HA   LEU  55           HA       LEU  55  -1.240  -2.655   5.360
  428   1HB   LEU  55           HB2      LEU  55  -0.660  -3.560   2.523
  429   2HB   LEU  55           HB1      LEU  55   0.488  -3.793   3.834
  430    HG   LEU  55           HG       LEU  55  -1.013  -5.238   5.003
  431   1HD1  LEU  55          HD12      LEU  55  -3.063  -4.211   3.052
  432   2HD1  LEU  55          HD11      LEU  55  -3.293  -5.752   3.874
  433   3HD1  LEU  55          HD13      LEU  55  -3.130  -4.275   4.814
  434   1HD2  LEU  55          HD23      LEU  55   0.203  -6.145   2.988
  435   2HD2  LEU  55          HD22      LEU  55  -1.253  -7.044   3.416
  436   3HD2  LEU  55          HD21      LEU  55  -1.282  -5.915   2.063
  437    H    GLU  56           HN       GLU  56   0.663  -1.618   5.893
  438    HA   GLU  56           HA       GLU  56   1.566   0.564   4.043
  439   1HB   GLU  56           HB2      GLU  56   0.736   1.247   6.352
  440   2HB   GLU  56           HB1      GLU  56   2.105   0.353   7.020
  441   1HG   GLU  56           HG2      GLU  56   3.649   1.722   5.643
  442   2HG   GLU  56           HG1      GLU  56   2.270   2.657   5.055
  443    H    VAL  57           HN       VAL  57   3.612   0.327   3.234
  444    HA   VAL  57           HA       VAL  57   5.377  -1.755   4.495
  445    HB   VAL  57           HB       VAL  57   4.977  -1.249   1.539
  446   1HG1  VAL  57          HG13      VAL  57   6.579  -3.302   3.079
  447   2HG1  VAL  57          HG12      VAL  57   6.339  -3.317   1.337
  448   3HG1  VAL  57          HG11      VAL  57   7.241  -2.004   2.087
  449   1HG2  VAL  57          HG23      VAL  57   4.003  -3.422   3.399
  450   2HG2  VAL  57          HG22      VAL  57   3.016  -2.322   2.440
  451   3HG2  VAL  57          HG21      VAL  57   3.979  -3.568   1.643
  452    H    ASP  58           HN       ASP  58   7.410  -1.108   4.890
  453    HA   ASP  58           HA       ASP  58   8.277   1.606   4.016
  454   1HB   ASP  58           HB2      ASP  58   8.399   0.809   6.435
  455   2HB   ASP  58           HB1      ASP  58   9.650  -0.316   5.897
  456    H    VAL  59           HN       VAL  59   9.573   1.689   2.191
  457    HA   VAL  59           HA       VAL  59  10.694  -0.728   1.056
  458    HB   VAL  59           HB       VAL  59  11.918   0.845  -0.464
  459   1HG1  VAL  59          HG12      VAL  59   8.982   1.370   0.054
  460   2HG1  VAL  59          HG11      VAL  59   9.831   1.896  -1.401
  461   3HG1  VAL  59          HG13      VAL  59   9.664   0.175  -1.048
  462   1HG2  VAL  59          HG21      VAL  59  12.299   2.652   1.198
  463   2HG2  VAL  59          HG23      VAL  59  11.494   3.259  -0.250
  464   3HG2  VAL  59          HG22      VAL  59  10.566   2.977   1.222
  465    H    ASP  60           HN       ASP  60  11.700   1.469   3.513
  466    HA   ASP  60           HA       ASP  60  14.550   0.675   3.293
  467   1HB   ASP  60           HB2      ASP  60  13.000   2.649   4.947
  468   2HB   ASP  60           HB1      ASP  60  14.630   2.201   5.407
  469    H    ASP  61           HN       ASP  61  11.888   0.308   5.681
  470    HA   ASP  61           HA       ASP  61  13.635  -1.548   7.230
  471   1HB   ASP  61           HB2      ASP  61  10.809  -0.594   7.815
  472   2HB   ASP  61           HB1      ASP  61  11.830  -1.542   8.888
  473    H    ALA  62           HN       ALA  62  11.251  -1.557   4.811
  474    HA   ALA  62           HA       ALA  62  10.829  -4.503   5.156
  475   1HB   ALA  62           HB3      ALA  62   8.833  -2.677   5.393
  476   2HB   ALA  62           HB2      ALA  62   8.790  -2.915   3.649
  477   3HB   ALA  62           HB1      ALA  62   8.568  -4.289   4.732
  478    H    GLN  63           HN       GLN  63  12.966  -3.284   3.763
  479    HA   GLN  63           HA       GLN  63  12.524  -2.874   0.999
  480   1HB   GLN  63           HB2      GLN  63  14.916  -3.232   0.738
  481   2HB   GLN  63           HB1      GLN  63  14.630  -2.331   2.229
  482   1HG   GLN  63           HG2      GLN  63  14.669  -4.552   3.450
  483   2HG   GLN  63           HG1      GLN  63  15.244  -5.280   1.947
  484   1HE2  GLN  63          HE22      GLN  63  18.544  -4.179   2.415
  485   2HE2  GLN  63          HE21      GLN  63  17.463  -5.177   1.571
  486    H    ASP  64           HN       ASP  64  12.715  -5.876   2.835
  487    HA   ASP  64           HA       ASP  64  13.284  -7.608   0.631
  488   1HB   ASP  64           HB2      ASP  64  12.149  -9.368   2.059
  489   2HB   ASP  64           HB1      ASP  64  13.461  -8.508   2.853
  490    H    VAL  65           HN       VAL  65  10.277  -6.259   1.919
  491    HA   VAL  65           HA       VAL  65   8.520  -7.762   0.195
  492    HB   VAL  65           HB       VAL  65   7.949  -4.996   1.298
  493   1HG1  VAL  65          HG13      VAL  65   6.302  -6.104  -0.209
  494   2HG1  VAL  65          HG12      VAL  65   6.212  -7.452   0.927
  495   3HG1  VAL  65          HG11      VAL  65   5.671  -5.846   1.418
  496   1HG2  VAL  65          HG22      VAL  65   8.127  -7.623   2.760
  497   2HG2  VAL  65          HG21      VAL  65   8.807  -6.065   3.216
  498   3HG2  VAL  65          HG23      VAL  65   7.071  -6.338   3.327
  499    H    ALA  66           HN       ALA  66   9.951  -4.513   0.049
  500    HA   ALA  66           HA       ALA  66   8.710  -3.786  -2.439
  501   1HB   ALA  66           HB2      ALA  66   9.832  -2.292  -0.606
  502   2HB   ALA  66           HB1      ALA  66  11.318  -2.599  -1.509
  503   3HB   ALA  66           HB3      ALA  66   9.950  -1.810  -2.297
  504    H    SER  67           HN       SER  67  11.875  -5.179  -1.633
  505    HA   SER  67           HA       SER  67  12.979  -5.029  -4.253
  506   1HB   SER  67           HB2      SER  67  14.499  -6.813  -3.509
  507   2HB   SER  67           HB1      SER  67  14.306  -5.600  -2.246
  508    HG   SER  67           HG       SER  67  14.020  -7.562  -1.278
  509    H    GLU  68           HN       GLU  68  10.775  -7.338  -2.757
  510    HA   GLU  68           HA       GLU  68  10.893  -9.370  -4.751
  511   1HB   GLU  68           HB2      GLU  68   9.734  -9.572  -2.526
  512   2HB   GLU  68           HB1      GLU  68   8.461  -8.521  -3.143
  513   1HG   GLU  68           HG2      GLU  68   8.146 -10.178  -5.035
  514   2HG   GLU  68           HG1      GLU  68   9.242 -11.259  -4.175
  515    H    ALA  69           HN       ALA  69   9.013  -6.375  -4.523
  516    HA   ALA  69           HA       ALA  69   7.703  -6.906  -7.110
  517   1HB   ALA  69           HB1      ALA  69   7.527  -4.671  -5.092
  518   2HB   ALA  69           HB3      ALA  69   6.676  -4.626  -6.638
  519   3HB   ALA  69           HB2      ALA  69   6.309  -5.892  -5.463
  520    H    GLU  70           HN       GLU  70  10.684  -5.715  -6.239
  521    HA   GLU  70           HA       GLU  70  12.258  -4.381  -7.344
  522   1HB   GLU  70           HB2      GLU  70  10.471  -4.904  -9.740
  523   2HB   GLU  70           HB1      GLU  70  12.113  -4.277  -9.805
  524   1HG   GLU  70           HG2      GLU  70  11.343  -6.962  -8.641
  525   2HG   GLU  70           HG1      GLU  70  12.011  -6.708 -10.253
  526    H    VAL  71           HN       VAL  71  10.495  -2.842  -5.916
  527    HA   VAL  71           HA       VAL  71   8.995  -0.962  -7.450
  528    HB   VAL  71           HB       VAL  71  10.435  -0.391  -4.841
  529   1HG1  VAL  71          HG11      VAL  71   7.993   0.764  -6.230
  530   2HG1  VAL  71          HG13      VAL  71   8.395   1.100  -4.548
  531   3HG1  VAL  71          HG12      VAL  71   9.495   1.600  -5.837
  532   1HG2  VAL  71          HG23      VAL  71   7.776  -1.756  -5.400
  533   2HG2  VAL  71          HG22      VAL  71   9.168  -2.445  -4.567
  534   3HG2  VAL  71          HG21      VAL  71   8.246  -1.145  -3.815
  535    H    LYS  72           HN       LYS  72   9.656   0.677  -8.732
  536    HA   LYS  72           HA       LYS  72  12.553   1.329  -8.790
  537   1HB   LYS  72           HB2      LYS  72  10.353   1.876 -10.794
  538   2HB   LYS  72           HB1      LYS  72  12.061   2.242 -11.034
  539   1HG   LYS  72           HG2      LYS  72  11.167  -0.575 -10.354
  540   2HG   LYS  72           HG1      LYS  72  11.134   0.003 -12.018
  541   1HD   LYS  72           HD2      LYS  72  13.579   0.622 -11.749
  542   2HD   LYS  72           HD1      LYS  72  13.550  -0.219 -10.199
  543   1HE   LYS  72           HE2      LYS  72  12.832  -2.290 -11.311
  544   2HE   LYS  72           HE1      LYS  72  12.816  -1.461 -12.867
  545   1HZ   LYS  72           HZ2      LYS  72  15.284  -0.912 -11.996
  546   2HZ   LYS  72           HZ1      LYS  72  15.052  -2.455 -11.319
  547   3HZ   LYS  72           HZ3      LYS  72  14.900  -2.232 -12.995
  548    H    ALA  73           HN       ALA  73   9.618   2.616  -7.631
  549    HA   ALA  73           HA       ALA  73  10.963   5.080  -6.881
  550   1HB   ALA  73           HB1      ALA  73  10.194   5.449  -9.294
  551   2HB   ALA  73           HB3      ALA  73   8.550   5.421  -8.655
  552   3HB   ALA  73           HB2      ALA  73   9.691   6.653  -8.109
  553    H    THR  74           HN       THR  74   9.701   6.354  -5.400
  554    HA   THR  74           HA       THR  74   7.217   5.046  -4.373
  555    HB   THR  74           HB       THR  74   7.960   5.445  -2.086
  556    HG1  THR  74           HG1      THR  74  10.115   6.737  -3.352
  557   1HG2  THR  74          HG22      THR  74  10.075   4.176  -3.806
  558   2HG2  THR  74          HG21      THR  74  10.117   4.137  -2.049
  559   3HG2  THR  74          HG23      THR  74   8.787   3.371  -2.918
  560    HA   PRO  75           HA       PRO  75   5.833   5.710  -2.543
  561   1HB   PRO  75           HB2      PRO  75   3.262   6.724  -2.617
  562   2HB   PRO  75           HB1      PRO  75   4.479   7.172  -1.414
  563   1HG   PRO  75           HG2      PRO  75   3.469   8.732  -3.731
  564   2HG   PRO  75           HG1      PRO  75   4.183   9.304  -2.214
  565   1HD   PRO  75           HD2      PRO  75   5.494   9.175  -4.733
  566   2HD   PRO  75           HD1      PRO  75   6.282   9.447  -3.152
  567    H    THR  76           HN       THR  76   4.877   3.823  -3.238
  568    HA   THR  76           HA       THR  76   3.442   3.872  -5.866
  569    HB   THR  76           HB       THR  76   5.425   1.750  -4.977
  570    HG1  THR  76           HG1      THR  76   6.342   2.610  -7.076
  571   1HG2  THR  76          HG22      THR  76   3.680   2.051  -7.433
  572   2HG2  THR  76          HG21      THR  76   5.026   0.917  -7.328
  573   3HG2  THR  76          HG23      THR  76   3.640   0.741  -6.252
  574    H    PHE  77           HN       PHE  77   1.544   2.893  -5.798
  575    HA   PHE  77           HA       PHE  77   0.792   1.390  -3.327
  576   1HB   PHE  77           HB2      PHE  77  -0.945   2.807  -5.374
  577   2HB   PHE  77           HB1      PHE  77  -1.519   2.015  -3.902
  578    HD1  PHE  77           HD1      PHE  77  -0.893   2.929  -1.657
  579    HD2  PHE  77           HD2      PHE  77   0.138   4.931  -5.311
  580    HE1  PHE  77           HE1      PHE  77  -0.422   5.008  -0.385
  581    HE2  PHE  77           HE2      PHE  77   0.606   7.013  -4.047
  582    HZ   PHE  77           HZ       PHE  77   0.328   7.057  -1.581
  583    H    GLN  78           HN       GLN  78   0.288  -0.764  -3.556
  584    HA   GLN  78           HA       GLN  78  -0.238  -1.793  -6.335
  585   1HB   GLN  78           HB2      GLN  78   1.301  -3.105  -4.085
  586   2HB   GLN  78           HB1      GLN  78   0.829  -3.920  -5.570
  587   1HG   GLN  78           HG2      GLN  78   2.054  -2.102  -6.838
  588   2HG   GLN  78           HG1      GLN  78   2.701  -1.555  -5.292
  589   1HE2  GLN  78          HE22      GLN  78   5.312  -3.900  -5.571
  590   2HE2  GLN  78          HE21      GLN  78   4.839  -2.314  -5.200
  591    H    PHE  79           HN       PHE  79  -1.945  -3.151  -6.540
  592    HA   PHE  79           HA       PHE  79  -3.639  -3.530  -4.091
  593   1HB   PHE  79           HB2      PHE  79  -4.344  -3.492  -7.040
  594   2HB   PHE  79           HB1      PHE  79  -5.489  -3.781  -5.725
  595    HD1  PHE  79           HD2      PHE  79  -3.060  -1.315  -7.104
  596    HD2  PHE  79           HD1      PHE  79  -6.338  -1.974  -4.417
  597    HE1  PHE  79           HE2      PHE  79  -3.234   1.127  -6.713
  598    HE2  PHE  79           HE1      PHE  79  -6.515   0.460  -4.025
  599    HZ   PHE  79           HZ       PHE  79  -4.968   2.009  -5.167
  600    H    PHE  80           HN       PHE  80  -4.176  -5.542  -3.440
  601    HA   PHE  80           HA       PHE  80  -3.481  -7.846  -5.201
  602   1HB   PHE  80           HB2      PHE  80  -2.907  -7.462  -2.266
  603   2HB   PHE  80           HB1      PHE  80  -2.944  -9.060  -3.013
  604    HD1  PHE  80           HD2      PHE  80  -1.182  -5.776  -2.954
  605    HD2  PHE  80           HD1      PHE  80  -1.250  -9.776  -4.551
  606    HE1  PHE  80           HE2      PHE  80   1.137  -5.497  -3.786
  607    HE2  PHE  80           HE1      PHE  80   1.065  -9.483  -5.380
  608    HZ   PHE  80           HZ       PHE  80   2.260  -7.345  -4.998
  609    H    LYS  81           HN       LYS  81  -4.884  -9.641  -5.037
  610    HA   LYS  81           HA       LYS  81  -7.263  -9.357  -3.272
  611   1HB   LYS  81           HB2      LYS  81  -7.663  -8.261  -5.576
  612   2HB   LYS  81           HB1      LYS  81  -7.554  -9.890  -6.244
  613   1HG   LYS  81           HG2      LYS  81  -9.340 -10.598  -4.626
  614   2HG   LYS  81           HG1      LYS  81  -9.525  -8.914  -4.161
  615   1HD   LYS  81           HD2      LYS  81  -9.737  -9.774  -7.048
  616   2HD   LYS  81           HD1      LYS  81 -11.128  -9.843  -5.969
  617   1HE   LYS  81           HE2      LYS  81 -10.752  -7.411  -5.438
  618   2HE   LYS  81           HE1      LYS  81  -9.507  -7.385  -6.687
  619   1HZ   LYS  81           HZ3      LYS  81 -12.133  -8.470  -7.376
  620   2HZ   LYS  81           HZ2      LYS  81 -11.984  -6.784  -7.220
  621   3HZ   LYS  81           HZ1      LYS  81 -11.023  -7.625  -8.342
  622    H    LYS  82           HN       LYS  82  -7.437 -11.329  -2.314
  623    HA   LYS  82           HA       LYS  82  -7.267 -13.642  -1.985
  624   1HB   LYS  82           HB2      LYS  82  -7.543 -13.701  -5.019
  625   2HB   LYS  82           HB1      LYS  82  -7.685 -15.098  -3.962
  626   1HG   LYS  82           HG2      LYS  82  -9.660 -14.261  -2.950
  627   2HG   LYS  82           HG1      LYS  82  -9.417 -12.649  -3.604
  628   1HD   LYS  82           HD2      LYS  82  -9.839 -13.450  -5.868
  629   2HD   LYS  82           HD1      LYS  82  -9.935 -15.115  -5.291
  630   1HE   LYS  82           HE2      LYS  82 -11.788 -12.933  -4.299
  631   2HE   LYS  82           HE1      LYS  82 -12.174 -13.955  -5.683
  632   1HZ   LYS  82           HZ1      LYS  82 -11.298 -15.270  -3.227
  633   2HZ   LYS  82           HZ3      LYS  82 -12.860 -14.613  -3.243
  634   3HZ   LYS  82           HZ2      LYS  82 -12.420 -15.785  -4.392
  635    H    GLY  83           HN       GLY  83  -4.939 -11.922  -2.369
  636   1HA   GLY  83           HA2      GLY  83  -2.621 -12.258  -2.278
  637   2HA   GLY  83           HA1      GLY  83  -2.889 -13.969  -2.611
  638    H    GLN  84           HN       GLN  84  -4.440 -11.813  -4.803
  639    HA   GLN  84           HA       GLN  84  -2.317 -12.368  -6.846
  640   1HB   GLN  84           HB2      GLN  84  -5.270 -11.869  -7.313
  641   2HB   GLN  84           HB1      GLN  84  -4.078 -12.310  -8.529
  642   1HG   GLN  84           HG2      GLN  84  -4.791 -14.044  -6.150
  643   2HG   GLN  84           HG1      GLN  84  -5.469 -14.248  -7.763
  644   1HE2  GLN  84          HE22      GLN  84  -1.535 -15.233  -7.120
  645   2HE2  GLN  84          HE21      GLN  84  -2.310 -14.156  -6.062
  646    H    LYS  85           HN       LYS  85  -1.366 -10.633  -7.832
  647    HA   LYS  85           HA       LYS  85  -2.099  -7.901  -7.029
  648   1HB   LYS  85           HB2      LYS  85   0.263  -8.642  -7.444
  649   2HB   LYS  85           HB1      LYS  85  -0.145  -8.862  -9.144
  650   1HG   LYS  85           HG2      LYS  85  -0.803  -6.443  -9.244
  651   2HG   LYS  85           HG1      LYS  85  -0.221  -6.262  -7.589
  652   1HD   LYS  85           HD2      LYS  85   2.013  -7.117  -8.337
  653   2HD   LYS  85           HD1      LYS  85   1.408  -7.117  -9.995
  654   1HE   LYS  85           HE2      LYS  85   0.991  -4.700  -9.861
  655   2HE   LYS  85           HE1      LYS  85   1.552  -4.685  -8.189
  656   1HZ   LYS  85           HZ3      LYS  85   3.690  -5.614  -9.049
  657   2HZ   LYS  85           HZ2      LYS  85   3.128  -5.313 -10.623
  658   3HZ   LYS  85           HZ1      LYS  85   3.362  -4.026  -9.541
  659    H    VAL  86           HN       VAL  86  -3.723  -6.793  -8.041
  660    HA   VAL  86           HA       VAL  86  -4.276  -7.403 -10.929
  661    HB   VAL  86           HB       VAL  86  -6.647  -6.813 -10.454
  662   1HG1  VAL  86          HG13      VAL  86  -5.716  -9.182 -10.363
  663   2HG1  VAL  86          HG12      VAL  86  -5.664  -9.005  -8.608
  664   3HG1  VAL  86          HG11      VAL  86  -7.207  -8.921  -9.457
  665   1HG2  VAL  86          HG22      VAL  86  -6.133  -5.429  -8.409
  666   2HG2  VAL  86          HG21      VAL  86  -7.407  -6.621  -8.153
  667   3HG2  VAL  86          HG23      VAL  86  -5.780  -6.924  -7.546
  668    H    GLY  87           HN       GLY  87  -2.787  -5.117  -9.235
  669   1HA   GLY  87           HA2      GLY  87  -3.215  -3.092 -11.191
  670   2HA   GLY  87           HA1      GLY  87  -4.246  -2.726  -9.811
  671    H    GLU  88           HN       GLU  88  -1.949  -1.233 -10.828
  672    HA   GLU  88           HA       GLU  88  -0.632  -0.711  -8.302
  673   1HB   GLU  88           HB2      GLU  88   0.793  -2.556  -8.866
  674   2HB   GLU  88           HB1      GLU  88   0.927  -2.027 -10.538
  675   1HG   GLU  88           HG2      GLU  88   1.879  -0.282  -8.262
  676   2HG   GLU  88           HG1      GLU  88   2.915  -1.537  -8.938
  677    H    PHE  89           HN       PHE  89   0.464   1.277  -8.340
  678    HA   PHE  89           HA       PHE  89   0.976   2.627 -10.845
  679   1HB   PHE  89           HB2      PHE  89  -0.668   4.323 -10.815
  680   2HB   PHE  89           HB1      PHE  89  -1.550   2.825 -10.565
  681    HD1  PHE  89           HD1      PHE  89  -0.076   5.750  -8.814
  682    HD2  PHE  89           HD2      PHE  89  -2.866   2.497  -8.582
  683    HE1  PHE  89           HE1      PHE  89  -1.035   6.728  -6.745
  684    HE2  PHE  89           HE2      PHE  89  -3.823   3.474  -6.509
  685    HZ   PHE  89           HZ       PHE  89  -2.921   5.592  -5.593
  686    H    SER  90           HN       SER  90   1.899   4.771 -10.493
  687    HA   SER  90           HA       SER  90   2.921   5.181  -7.706
  688   1HB   SER  90           HB2      SER  90   5.042   5.956  -8.674
  689   2HB   SER  90           HB1      SER  90   4.731   4.279  -9.121
  690    HG   SER  90           HG       SER  90   5.109   6.389 -10.696
  691    H    GLY  91           HN       GLY  91   3.607   7.393  -7.285
  692   1HA   GLY  91           HA2      GLY  91   3.638   9.742  -8.202
  693   2HA   GLY  91           HA1      GLY  91   2.054   9.404  -8.893
  694    H    ALA  92           HN       ALA  92   3.042  11.357  -6.740
  695    HA   ALA  92           HA       ALA  92   1.772  10.460  -4.284
  696   1HB   ALA  92           HB1      ALA  92   2.951  13.043  -5.273
  697   2HB   ALA  92           HB3      ALA  92   1.998  13.039  -3.794
  698   3HB   ALA  92           HB2      ALA  92   3.453  12.047  -3.911
  699    H    ASN  93           HN       ASN  93  -0.260   9.880  -5.700
  700    HA   ASN  93           HA       ASN  93  -2.136  12.229  -5.672
  701   1HB   ASN  93           HB2      ASN  93  -1.660  11.262  -7.962
  702   2HB   ASN  93           HB1      ASN  93  -2.420   9.767  -7.408
  703   1HD2  ASN  93          HD22      ASN  93  -5.226  12.568  -6.833
  704   2HD2  ASN  93          HD21      ASN  93  -3.889  12.363  -5.810
  705    H    LYS  94           HN       LYS  94  -2.896  11.850  -3.552
  706    HA   LYS  94           HA       LYS  94  -3.631   9.259  -2.532
  707   1HB   LYS  94           HB2      LYS  94  -4.874  10.613  -0.822
  708   2HB   LYS  94           HB1      LYS  94  -3.185  11.057  -1.003
  709   1HG   LYS  94           HG2      LYS  94  -4.994  12.573  -2.790
  710   2HG   LYS  94           HG1      LYS  94  -5.329  12.840  -1.090
  711   1HD   LYS  94           HD2      LYS  94  -2.513  12.992  -2.158
  712   2HD   LYS  94           HD1      LYS  94  -3.598  14.373  -2.259
  713   1HE   LYS  94           HE2      LYS  94  -3.787  14.540   0.104
  714   2HE   LYS  94           HE1      LYS  94  -3.099  12.934   0.347
  715   1HZ   LYS  94           HZ2      LYS  94  -1.642  15.236  -0.825
  716   2HZ   LYS  94           HZ1      LYS  94  -1.508  14.726   0.791
  717   3HZ   LYS  94           HZ3      LYS  94  -0.997  13.708  -0.464
  718    H    GLU  95           HN       GLU  95  -5.471  11.675  -4.378
  719    HA   GLU  95           HA       GLU  95  -8.059  10.569  -3.850
  720   1HB   GLU  95           HB2      GLU  95  -7.050  12.118  -6.258
  721   2HB   GLU  95           HB1      GLU  95  -8.744  11.819  -5.881
  722   1HG   GLU  95           HG2      GLU  95  -6.828  13.247  -4.025
  723   2HG   GLU  95           HG1      GLU  95  -7.947  14.067  -5.107
  724    H    LYS  96           HN       LYS  96  -5.526   9.745  -6.092
  725    HA   LYS  96           HA       LYS  96  -6.971   8.157  -7.942
  726   1HB   LYS  96           HB2      LYS  96  -4.568   8.953  -8.024
  727   2HB   LYS  96           HB1      LYS  96  -4.168   7.641  -6.936
  728   1HG   LYS  96           HG2      LYS  96  -4.723   5.978  -8.515
  729   2HG   LYS  96           HG1      LYS  96  -5.630   7.111  -9.521
  730   1HD   LYS  96           HD2      LYS  96  -3.507   8.333 -10.003
  731   2HD   LYS  96           HD1      LYS  96  -2.627   7.113  -9.086
  732   1HE   LYS  96           HE2      LYS  96  -3.379   5.368 -10.637
  733   2HE   LYS  96           HE1      LYS  96  -4.346   6.548 -11.523
  734   1HZ   LYS  96           HZ1      LYS  96  -1.587   7.303 -11.178
  735   2HZ   LYS  96           HZ3      LYS  96  -1.797   5.896 -12.102
  736   3HZ   LYS  96           HZ2      LYS  96  -2.559   7.341 -12.570
  737    H    LEU  97           HN       LEU  97  -5.689   7.430  -4.747
  738    HA   LEU  97           HA       LEU  97  -5.966   4.601  -4.761
  739   1HB   LEU  97           HB2      LEU  97  -6.198   6.714  -2.616
  740   2HB   LEU  97           HB1      LEU  97  -6.390   5.010  -2.235
  741    HG   LEU  97           HG       LEU  97  -3.967   6.179  -3.618
  742   1HD1  LEU  97          HD13      LEU  97  -4.558   5.611  -0.709
  743   2HD1  LEU  97          HD12      LEU  97  -2.910   5.707  -1.323
  744   3HD1  LEU  97          HD11      LEU  97  -3.973   7.110  -1.430
  745   1HD2  LEU  97          HD22      LEU  97  -4.805   3.426  -2.754
  746   2HD2  LEU  97          HD21      LEU  97  -3.824   3.922  -4.130
  747   3HD2  LEU  97          HD23      LEU  97  -3.117   3.860  -2.522
  748    H    GLU  98           HN       GLU  98  -8.212   7.216  -4.105
  749    HA   GLU  98           HA       GLU  98 -10.404   5.632  -3.165
  750   1HB   GLU  98           HB2      GLU  98 -10.245   8.109  -2.946
  751   2HB   GLU  98           HB1      GLU  98 -10.505   8.261  -4.682
  752   1HG   GLU  98           HG2      GLU  98 -12.698   7.097  -4.421
  753   2HG   GLU  98           HG1      GLU  98 -12.437   7.062  -2.675
  754    H    ALA  99           HN       ALA  99  -9.593   6.741  -6.458
  755    HA   ALA  99           HA       ALA  99 -11.935   5.534  -7.642
  756   1HB   ALA  99           HB3      ALA  99 -10.554   7.377  -8.681
  757   2HB   ALA  99           HB2      ALA  99  -9.327   6.163  -9.044
  758   3HB   ALA  99           HB1      ALA  99 -10.930   6.040  -9.766
  759    H    THR 100           HN       THR 100  -8.551   4.409  -7.356
  760    HA   THR 100           HA       THR 100  -8.962   2.036  -8.905
  761    HB   THR 100           HB       THR 100  -6.992   2.352  -6.626
  762    HG1  THR 100           HG1      THR 100  -6.611   4.069  -7.910
  763   1HG2  THR 100          HG23      THR 100  -7.079   0.683  -9.154
  764   2HG2  THR 100          HG22      THR 100  -5.642   0.855  -8.145
  765   3HG2  THR 100          HG21      THR 100  -7.097   0.101  -7.488
  766    H    ILE 101           HN       ILE 101  -9.310   2.717  -5.441
  767    HA   ILE 101           HA       ILE 101  -9.906   0.025  -4.596
  768    HB   ILE 101           HB       ILE 101 -10.780   2.736  -3.520
  769   1HG1  ILE 101          HG12      ILE 101  -8.866   0.765  -2.261
  770   2HG1  ILE 101          HG11      ILE 101  -8.309   1.919  -3.470
  771   1HG2  ILE 101          HG22      ILE 101 -11.238  -0.048  -2.421
  772   2HG2  ILE 101          HG21      ILE 101 -11.327   1.404  -1.422
  773   3HG2  ILE 101          HG23      ILE 101 -12.450   1.189  -2.766
  774   1HD1  ILE 101          HD13      ILE 101  -9.283   3.763  -2.063
  775   2HD1  ILE 101          HD12      ILE 101  -9.647   2.561  -0.825
  776   3HD1  ILE 101          HD11      ILE 101  -7.973   2.889  -1.271
  777    H    ASN 102           HN       ASN 102 -11.890   2.750  -5.686
  778    HA   ASN 102           HA       ASN 102 -14.413   1.432  -5.581
  779   1HB   ASN 102           HB2      ASN 102 -14.032   3.914  -5.914
  780   2HB   ASN 102           HB1      ASN 102 -13.572   3.554  -7.582
  781   1HD2  ASN 102          HD22      ASN 102 -17.486   3.038  -6.440
  782   2HD2  ASN 102          HD21      ASN 102 -16.261   3.000  -5.267
  783    H    GLU 103           HN       GLU 103 -11.863   1.523  -7.986
  784    HA   GLU 103           HA       GLU 103 -13.326   0.243 -10.095
  785   1HB   GLU 103           HB2      GLU 103 -11.123   1.567 -10.204
  786   2HB   GLU 103           HB1      GLU 103 -10.344   0.087  -9.652
  787   1HG   GLU 103           HG2      GLU 103 -12.121   0.235 -12.107
  788   2HG   GLU 103           HG1      GLU 103 -10.362   0.342 -12.158
  789    H    LEU 104           HN       LEU 104 -11.228  -1.014  -7.493
  790    HA   LEU 104           HA       LEU 104 -11.751  -3.796  -8.412
  791   1HB   LEU 104           HB2      LEU 104  -9.865  -2.696  -6.318
  792   2HB   LEU 104           HB1      LEU 104 -10.025  -4.405  -6.704
  793    HG   LEU 104           HG       LEU 104  -9.320  -2.292  -8.755
  794   1HD1  LEU 104          HD11      LEU 104  -7.537  -4.047  -7.058
  795   2HD1  LEU 104          HD13      LEU 104  -6.988  -3.230  -8.520
  796   3HD1  LEU 104          HD12      LEU 104  -7.545  -2.287  -7.138
  797   1HD2  LEU 104          HD22      LEU 104  -9.406  -5.314  -8.730
  798   2HD2  LEU 104          HD21      LEU 104 -10.083  -4.209  -9.920
  799   3HD2  LEU 104          HD23      LEU 104  -8.344  -4.464  -9.847
  800    H    VAL 105           HN       VAL 105 -13.288  -1.676  -6.350
  801    HA   VAL 105           HA       VAL 105 -13.670  -3.341  -4.035
  802    HB   VAL 105           HB       VAL 105 -14.240  -0.868  -4.213
  803   1HG1  VAL 105          HG13      VAL 105 -15.585  -1.331  -6.404
  804   2HG1  VAL 105          HG12      VAL 105 -16.894  -1.780  -5.320
  805   3HG1  VAL 105          HG11      VAL 105 -16.218  -0.151  -5.261
  806   1HG2  VAL 105          HG22      VAL 105 -14.968  -2.371  -2.347
  807   2HG2  VAL 105          HG21      VAL 105 -16.090  -1.045  -2.652
  808   3HG2  VAL 105          HG23      VAL 105 -16.468  -2.668  -3.227
  809    HA   PRO  59           HA       PRO 106  14.215  14.356 -14.024
  810   1HB   PRO  59           HB2      PRO 106  16.556  13.566 -12.880
  811   2HB   PRO  59           HB1      PRO 106  16.484  14.225 -14.527
  812   1HG   PRO  59           HG2      PRO 106  17.251  15.592 -11.981
  813   2HG   PRO  59           HG1      PRO 106  18.013  15.684 -13.580
  814   1HD   PRO  59           HD2      PRO 106  16.288  17.608 -12.638
  815   2HD   PRO  59           HD1      PRO 106  16.483  17.244 -14.367
  816    H    ALA  60           HN       ALA 107  14.725  16.233 -11.145
  817    HA   ALA  60           HA       ALA 107  13.896  13.952  -9.396
  818   1HB   ALA  60           HB3      ALA 107  15.081  16.683  -8.816
  819   2HB   ALA  60           HB2      ALA 107  14.452  15.624  -7.553
  820   3HB   ALA  60           HB1      ALA 107  15.820  15.107  -8.539
  821    H    THR  61           HN       THR 108  11.736  13.816  -9.006
  822    HA   THR  61           HA       THR 108  10.068  16.308  -9.219
  823    HB   THR  61           HB       THR 108   9.120  13.428  -9.267
  824    HG1  THR  61           HG1      THR 108   8.907  14.193 -11.622
  825   1HG2  THR  61          HG21      THR 108   7.474  15.225  -8.709
  826   2HG2  THR  61          HG23      THR 108   7.841  15.984 -10.257
  827   3HG2  THR  61          HG22      THR 108   7.101  14.382 -10.211
  828    H    LEU  62           HN       LEU 109   9.196  17.072  -7.345
  829    HA   LEU  62           HA       LEU 109   9.790  15.911  -4.803
  830   1HB   LEU  62           HB2      LEU 109   7.756  17.981  -5.650
  831   2HB   LEU  62           HB1      LEU 109   8.035  17.547  -3.967
  832    HG   LEU  62           HG       LEU 109  10.231  18.475  -5.833
  833   1HD1  LEU  62          HD11      LEU 109   8.530  20.228  -5.590
  834   2HD1  LEU  62          HD13      LEU 109   8.602  20.071  -3.836
  835   3HD1  LEU  62          HD12      LEU 109  10.000  20.673  -4.724
  836   1HD2  LEU  62          HD21      LEU 109  10.052  17.790  -2.902
  837   2HD2  LEU  62          HD23      LEU 109  11.347  17.467  -4.053
  838   3HD2  LEU  62          HD22      LEU 109  11.145  19.084  -3.389
  839    H    LYS  63           HN       LYS 110   7.118  15.533  -7.005
  840    HA   LYS  63           HA       LYS 110   5.272  14.315  -5.170
  841   1HB   LYS  63           HB2      LYS 110   5.538  13.932  -8.173
  842   2HB   LYS  63           HB1      LYS 110   4.121  13.541  -7.209
  843   1HG   LYS  63           HG2      LYS 110   5.282  16.330  -7.462
  844   2HG   LYS  63           HG1      LYS 110   3.929  15.729  -8.417
  845   1HD   LYS  63           HD2      LYS 110   2.774  15.210  -6.196
  846   2HD   LYS  63           HD1      LYS 110   4.035  16.175  -5.428
  847   1HE   LYS  63           HE2      LYS 110   2.242  17.176  -7.652
  848   2HE   LYS  63           HE1      LYS 110   2.002  17.514  -5.937
  849   1HZ   LYS  63           HZ2      LYS 110   4.393  18.353  -5.998
  850   2HZ   LYS  63           HZ1      LYS 110   4.218  18.380  -7.689
  851   3HZ   LYS  63           HZ3      LYS 110   3.202  19.329  -6.717
  852    H    ILE  64           HN       ILE 111   8.157  13.194  -6.645
  853    HA   ILE  64           HA       ILE 111   7.568  10.366  -5.788
  854    HB   ILE  64           HB       ILE 111   9.082  11.357  -8.229
  855   1HG1  ILE  64          HG12      ILE 111   6.659  11.280  -8.560
  856   2HG1  ILE  64          HG11      ILE 111   7.436   9.998  -9.477
  857   1HG2  ILE  64          HG21      ILE 111   8.880   8.585  -7.049
  858   2HG2  ILE  64          HG23      ILE 111   9.355   8.889  -8.719
  859   3HG2  ILE  64          HG22      ILE 111  10.345   9.505  -7.398
  860   1HD1  ILE  64          HD13      ILE 111   6.955   8.592  -7.248
  861   2HD1  ILE  64          HD12      ILE 111   5.690   9.802  -7.056
  862   3HD1  ILE  64          HD11      ILE 111   5.728   8.786  -8.496
  863    H    CYS  65           HN       CYS 112   9.276   9.366  -4.631
  864    HA   CYS  65           HA       CYS 112  11.646  11.079  -4.014
  865   1HB   CYS  65           HB2      CYS 112  10.764   8.535  -2.610
  866   2HB   CYS  65           HB1      CYS 112  12.016   9.641  -2.079
  867    H    SER  66           HN       SER 113  13.595  10.472  -4.947
  868    HA   SER  66           HA       SER 113  13.598   8.133  -6.716
  869   1HB   SER  66           HB2      SER 113  15.768  10.147  -6.077
  870   2HB   SER  66           HB1      SER 113  15.889   8.898  -7.312
  871    HG   SER  66           HG       SER 113  13.701  10.674  -7.243
  872    H    TRP  67           HN       TRP 114  14.799   6.263  -6.510
  873    HA   TRP  67           HA       TRP 114  15.557   5.431  -3.821
  874   1HB   TRP  67           HB2      TRP 114  15.776   4.072  -6.528
  875   2HB   TRP  67           HB1      TRP 114  16.261   3.309  -5.011
  876    HD1  TRP  67           HD1      TRP 114  13.162   5.296  -6.186
  877    HE1  TRP  67           HE1      TRP 114  11.064   4.108  -5.300
  878    HE3  TRP  67           HE3      TRP 114  15.307   1.367  -3.747
  879    HZ2  TRP  67           HZ2      TRP 114  10.400   1.836  -3.727
  880    HZ3  TRP  67           HZ3      TRP 114  13.921  -0.294  -2.564
  881    HH2  TRP  67           HH2      TRP 114  11.458  -0.070  -2.564
  882    H    ASN  68           HN       ASN 115  17.149   7.035  -6.370
  883    HA   ASN  68           HA       ASN 115  19.799   6.047  -6.222
  884   1HB   ASN  68           HB2      ASN 115  18.789   8.893  -6.610
  885   2HB   ASN  68           HB1      ASN 115  20.476   8.419  -6.808
  886   1HD2  ASN  68          HD22      ASN 115  18.495   6.125  -9.428
  887   2HD2  ASN  68          HD21      ASN 115  18.519   5.822  -7.757
  888    H    VAL  69           HN       VAL 116  17.861   7.461  -3.845
  889    HA   VAL  69           HA       VAL 116  19.840   8.851  -2.293
  890    HB   VAL  69           HB       VAL 116  18.200   8.573  -0.423
  891   1HG1  VAL  69          HG12      VAL 116  17.187   9.446  -3.139
  892   2HG1  VAL  69          HG11      VAL 116  16.319   9.759  -1.636
  893   3HG1  VAL  69          HG13      VAL 116  17.918  10.454  -1.891
  894   1HG2  VAL  69          HG22      VAL 116  16.785   6.872  -2.501
  895   2HG2  VAL  69          HG21      VAL 116  17.298   6.373  -0.893
  896   3HG2  VAL  69          HG23      VAL 116  15.977   7.525  -1.081
  897    H    ASP  70           HN       ASP 117  21.216   8.081  -0.698
  898    HA   ASP  70           HA       ASP 117  22.078   5.376  -0.831
  899   1HB   ASP  70           HB2      ASP 117  22.489   7.511   1.277
  900   2HB   ASP  70           HB1      ASP 117  23.269   5.928   1.348
  901    H    GLY  71           HN       GLY 118  19.825   7.004   1.393
  902   1HA   GLY  71           HA2      GLY 118  19.445   4.649   3.052
  903   2HA   GLY  71           HA1      GLY 118  18.420   6.085   3.054
   
  No H/Q in entry =         903
  Start of MODEL    2
    1   1H    MET   1           HT3      MET   1  -8.337  -3.225   8.935
    2   2H    MET   1           HT2      MET   1  -9.549  -2.826  10.058
    3   3H    MET   1           HT1      MET   1  -9.395  -1.937   8.618
    4    HA   MET   1           HA       MET   1  -8.393  -0.527  10.096
    5   1HB   MET   1           HB2      MET   1  -7.070  -1.277  11.999
    6   2HB   MET   1           HB1      MET   1  -8.601  -2.153  11.984
    7   1HG   MET   1           HG2      MET   1  -7.462  -4.052  10.830
    8   2HG   MET   1           HG1      MET   1  -5.931  -3.188  10.974
    9   1HE   MET   1           HE2      MET   1  -5.125  -5.333  11.905
   10   2HE   MET   1           HE1      MET   1  -5.393  -5.940  13.537
   11   3HE   MET   1           HE3      MET   1  -6.600  -6.222  12.273
   12    H    VAL   2           HN       VAL   2  -5.715  -0.425  10.711
   13    HA   VAL   2           HA       VAL   2  -4.445  -0.759   8.021
   14    HB   VAL   2           HB       VAL   2  -3.740   0.906  10.457
   15   1HG1  VAL   2          HG12      VAL   2  -2.216   0.428   7.882
   16   2HG1  VAL   2          HG11      VAL   2  -1.948   1.846   8.897
   17   3HG1  VAL   2          HG13      VAL   2  -1.633   0.233   9.536
   18   1HG2  VAL   2          HG21      VAL   2  -5.610   1.598   8.852
   19   2HG2  VAL   2          HG23      VAL   2  -4.314   2.770   9.071
   20   3HG2  VAL   2          HG22      VAL   2  -4.357   1.769   7.624
   21    H    LYS   3           HN       LYS   3  -2.535  -2.013   7.792
   22    HA   LYS   3           HA       LYS   3  -1.493  -3.405  10.240
   23   1HB   LYS   3           HB2      LYS   3  -2.974  -4.922   8.968
   24   2HB   LYS   3           HB1      LYS   3  -2.011  -4.635   7.517
   25   1HG   LYS   3           HG2      LYS   3  -0.152  -5.772   8.365
   26   2HG   LYS   3           HG1      LYS   3  -0.681  -5.642  10.035
   27   1HD   LYS   3           HD2      LYS   3  -2.589  -7.176   9.480
   28   2HD   LYS   3           HD1      LYS   3  -1.915  -7.362   7.860
   29   1HE   LYS   3           HE2      LYS   3  -1.154  -9.223   9.232
   30   2HE   LYS   3           HE1      LYS   3   0.220  -8.169   8.900
   31   1HZ   LYS   3           HZ1      LYS   3  -1.401  -7.756  11.322
   32   2HZ   LYS   3           HZ3      LYS   3  -0.211  -8.964  11.301
   33   3HZ   LYS   3           HZ2      LYS   3   0.222  -7.343  11.032
   34    H    GLN   4           HN       GLN   4   0.689  -3.149  10.422
   35    HA   GLN   4           HA       GLN   4   2.169  -2.069   8.075
   36   1HB   GLN   4           HB2      GLN   4   2.412  -0.912  10.254
   37   2HB   GLN   4           HB1      GLN   4   3.059  -2.393  10.959
   38   1HG   GLN   4           HG2      GLN   4   4.933  -2.361   9.360
   39   2HG   GLN   4           HG1      GLN   4   4.276  -0.905   8.610
   40   1HE2  GLN   4          HE22      GLN   4   6.296   0.960  10.828
   41   2HE2  GLN   4          HE21      GLN   4   5.914   0.600   9.213
   42    H    ILE   5           HN       ILE   5   3.382  -3.392   6.867
   43    HA   ILE   5           HA       ILE   5   4.038  -6.132   7.869
   44    HB   ILE   5           HB       ILE   5   4.349  -5.020   5.064
   45   1HG1  ILE   5          HG12      ILE   5   1.995  -4.791   5.715
   46   2HG1  ILE   5          HG11      ILE   5   2.178  -6.100   4.551
   47   1HG2  ILE   5          HG22      ILE   5   4.162  -7.813   6.208
   48   2HG2  ILE   5          HG21      ILE   5   4.205  -7.431   4.495
   49   3HG2  ILE   5          HG23      ILE   5   5.590  -7.054   5.509
   50   1HD1  ILE   5          HD13      ILE   5   2.234  -7.718   6.482
   51   2HD1  ILE   5          HD12      ILE   5   1.861  -6.369   7.550
   52   3HD1  ILE   5          HD11      ILE   5   0.709  -6.853   6.318
   53    H    GLU   6           HN       GLU   6   6.087  -6.261   8.732
   54    HA   GLU   6           HA       GLU   6   8.157  -4.345   7.764
   55   1HB   GLU   6           HB2      GLU   6   8.202  -6.269  10.110
   56   2HB   GLU   6           HB1      GLU   6   9.444  -5.071   9.724
   57   1HG   GLU   6           HG2      GLU   6   6.558  -4.308  10.189
   58   2HG   GLU   6           HG1      GLU   6   7.742  -4.376  11.495
   59    H    SER   7           HN       SER   7   7.097  -7.440   7.043
   60    HA   SER   7           HA       SER   7   9.684  -8.022   5.722
   61   1HB   SER   7           HB2      SER   7   9.805 -10.307   6.649
   62   2HB   SER   7           HB1      SER   7   9.952  -9.089   7.921
   63    HG   SER   7           HG       SER   7   8.441 -10.461   8.672
   64    H    LYS   8           HN       LYS   8   9.532  -9.777   4.181
   65    HA   LYS   8           HA       LYS   8   7.083  -9.758   2.684
   66   1HB   LYS   8           HB2      LYS   8   9.403 -10.284   1.780
   67   2HB   LYS   8           HB1      LYS   8   9.241 -11.866   2.544
   68   1HG   LYS   8           HG2      LYS   8   6.971 -12.000   1.263
   69   2HG   LYS   8           HG1      LYS   8   7.637 -10.693   0.281
   70   1HD   LYS   8           HD2      LYS   8   9.008 -13.355   0.759
   71   2HD   LYS   8           HD1      LYS   8   8.089 -12.946  -0.690
   72   1HE   LYS   8           HE2      LYS   8   9.628 -10.952  -0.969
   73   2HE   LYS   8           HE1      LYS   8  10.624 -11.638   0.311
   74   1HZ   LYS   8           HZ1      LYS   8   9.879 -13.041  -2.196
   75   2HZ   LYS   8           HZ3      LYS   8  11.373 -12.287  -1.916
   76   3HZ   LYS   8           HZ2      LYS   8  10.911 -13.628  -0.980
   77    H    THR   9           HN       THR   9   8.461 -11.877   5.123
   78    HA   THR   9           HA       THR   9   6.714 -14.077   4.836
   79    HB   THR   9           HB       THR   9   7.788 -12.922   7.421
   80    HG1  THR   9           HG1      THR   9   9.224 -13.561   5.543
   81   1HG2  THR   9          HG23      THR   9   6.713 -15.649   6.673
   82   2HG2  THR   9          HG22      THR   9   7.666 -15.354   8.126
   83   3HG2  THR   9          HG21      THR   9   6.107 -14.558   7.919
   84    H    ALA  10           HN       ALA  10   6.333 -11.102   6.737
   85    HA   ALA  10           HA       ALA  10   3.676 -11.791   7.631
   86   1HB   ALA  10           HB3      ALA  10   5.336  -9.281   7.628
   87   2HB   ALA  10           HB2      ALA  10   3.613  -9.178   8.001
   88   3HB   ALA  10           HB1      ALA  10   4.674 -10.174   8.998
   89    H    PHE  11           HN       PHE  11   5.010 -10.199   4.800
   90    HA   PHE  11           HA       PHE  11   2.629  -8.973   3.820
   91   1HB   PHE  11           HB2      PHE  11   4.994  -8.769   2.851
   92   2HB   PHE  11           HB1      PHE  11   4.738 -10.342   2.115
   93    HD1  PHE  11           HD1      PHE  11   2.943  -7.079   2.494
   94    HD2  PHE  11           HD2      PHE  11   3.910 -10.379  -0.084
   95    HE1  PHE  11           HE1      PHE  11   1.717  -5.992   0.645
   96    HE2  PHE  11           HE2      PHE  11   2.676  -9.283  -1.940
   97    HZ   PHE  11           HZ       PHE  11   1.579  -7.094  -1.570
   98    H    GLN  12           HN       GLN  12   3.928 -12.239   3.398
   99    HA   GLN  12           HA       GLN  12   1.836 -13.161   1.658
  100   1HB   GLN  12           HB2      GLN  12   3.642 -14.675   3.580
  101   2HB   GLN  12           HB1      GLN  12   2.667 -15.423   2.317
  102   1HG   GLN  12           HG2      GLN  12   4.834 -13.346   1.837
  103   2HG   GLN  12           HG1      GLN  12   5.038 -15.083   1.614
  104   1HE2  GLN  12          HE22      GLN  12   2.879 -15.146  -1.325
  105   2HE2  GLN  12          HE21      GLN  12   3.221 -16.069   0.059
  106    H    GLU  13           HN       GLU  13   2.308 -13.301   5.181
  107    HA   GLU  13           HA       GLU  13  -0.052 -14.777   5.832
  108   1HB   GLU  13           HB2      GLU  13   1.591 -12.769   7.383
  109   2HB   GLU  13           HB1      GLU  13   0.256 -13.648   8.104
  110   1HG   GLU  13           HG2      GLU  13   2.678 -14.934   6.804
  111   2HG   GLU  13           HG1      GLU  13   2.452 -14.741   8.538
  112    H    ALA  14           HN       ALA  14   0.483 -11.262   5.490
  113    HA   ALA  14           HA       ALA  14  -2.161 -10.559   6.387
  114   1HB   ALA  14           HB1      ALA  14  -0.239  -9.074   4.572
  115   2HB   ALA  14           HB3      ALA  14  -1.732  -8.391   5.218
  116   3HB   ALA  14           HB2      ALA  14  -0.431  -8.854   6.312
  117    H    LEU  15           HN       LEU  15  -0.778 -11.268   3.182
  118    HA   LEU  15           HA       LEU  15  -3.119 -10.623   1.692
  119   1HB   LEU  15           HB2      LEU  15  -0.944 -12.673   1.192
  120   2HB   LEU  15           HB1      LEU  15  -2.207 -12.296   0.025
  121    HG   LEU  15           HG       LEU  15  -0.379 -10.200   1.212
  122   1HD1  LEU  15          HD13      LEU  15  -0.022 -11.985  -1.187
  123   2HD1  LEU  15          HD12      LEU  15   0.671 -10.365  -1.176
  124   3HD1  LEU  15          HD11      LEU  15   1.151 -11.534   0.051
  125   1HD2  LEU  15          HD23      LEU  15  -2.472 -10.241  -0.956
  126   2HD2  LEU  15          HD22      LEU  15  -2.185  -9.040   0.298
  127   3HD2  LEU  15          HD21      LEU  15  -1.116  -9.123  -1.096
  128    H    ASP  16           HN       ASP  16  -2.086 -13.600   3.348
  129    HA   ASP  16           HA       ASP  16  -4.381 -15.135   2.517
  130   1HB   ASP  16           HB2      ASP  16  -2.217 -16.111   3.412
  131   2HB   ASP  16           HB1      ASP  16  -2.738 -15.591   5.019
  132    H    ALA  17           HN       ALA  17  -3.671 -13.046   5.253
  133    HA   ALA  17           HA       ALA  17  -5.996 -13.733   6.805
  134   1HB   ALA  17           HB2      ALA  17  -3.985 -12.619   7.746
  135   2HB   ALA  17           HB1      ALA  17  -4.381 -11.171   6.822
  136   3HB   ALA  17           HB3      ALA  17  -5.464 -11.725   8.099
  137    H    ALA  18           HN       ALA  18  -5.358 -11.250   4.361
  138    HA   ALA  18           HA       ALA  18  -7.777  -9.774   4.704
  139   1HB   ALA  18           HB2      ALA  18  -5.951 -10.201   2.339
  140   2HB   ALA  18           HB1      ALA  18  -7.377  -9.169   2.241
  141   3HB   ALA  18           HB3      ALA  18  -6.080  -8.776   3.370
  142    H    GLY  19           HN       GLY  19  -7.075 -12.769   2.999
  143   1HA   GLY  19           HA2      GLY  19  -8.539 -14.370   2.107
  144   2HA   GLY  19           HA1      GLY  19  -9.851 -13.522   2.922
  145    H    ASP  20           HN       ASP  20 -11.389 -13.006   1.416
  146    HA   ASP  20           HA       ASP  20 -10.588 -12.458  -1.377
  147   1HB   ASP  20           HB2      ASP  20 -13.332 -12.602  -0.089
  148   2HB   ASP  20           HB1      ASP  20 -13.009 -12.481  -1.820
  149    H    LYS  21           HN       LYS  21 -10.731 -10.596   1.336
  150    HA   LYS  21           HA       LYS  21 -12.245  -8.322   0.355
  151   1HB   LYS  21           HB2      LYS  21 -10.156  -8.554   2.544
  152   2HB   LYS  21           HB1      LYS  21 -11.111  -7.105   2.233
  153   1HG   LYS  21           HG2      LYS  21 -13.174  -8.675   2.465
  154   2HG   LYS  21           HG1      LYS  21 -12.047  -9.796   3.226
  155   1HD   LYS  21           HD2      LYS  21 -11.372  -7.820   4.738
  156   2HD   LYS  21           HD1      LYS  21 -12.830  -7.025   4.144
  157   1HE   LYS  21           HE2      LYS  21 -14.139  -9.052   4.864
  158   2HE   LYS  21           HE1      LYS  21 -12.666  -9.668   5.610
  159   1HZ   LYS  21           HZ1      LYS  21 -13.666  -6.969   6.248
  160   2HZ   LYS  21           HZ3      LYS  21 -14.290  -8.331   7.044
  161   3HZ   LYS  21           HZ2      LYS  21 -12.634  -7.969   7.156
  162    H    LEU  22           HN       LEU  22 -11.394  -6.324  -0.455
  163    HA   LEU  22           HA       LEU  22  -9.253  -6.568  -2.294
  164   1HB   LEU  22           HB2      LEU  22 -11.226  -4.698  -1.785
  165   2HB   LEU  22           HB1      LEU  22  -9.795  -3.843  -1.233
  166    HG   LEU  22           HG       LEU  22 -10.257  -5.008  -3.984
  167   1HD1  LEU  22          HD11      LEU  22 -10.566  -2.319  -2.786
  168   2HD1  LEU  22          HD13      LEU  22  -9.585  -2.323  -4.250
  169   3HD1  LEU  22          HD12      LEU  22 -11.220  -2.969  -4.286
  170   1HD2  LEU  22          HD23      LEU  22  -7.784  -3.883  -2.675
  171   2HD2  LEU  22          HD22      LEU  22  -7.939  -5.337  -3.663
  172   3HD2  LEU  22          HD21      LEU  22  -8.009  -3.751  -4.413
  173    H    VAL  23           HN       VAL  23  -7.059  -5.521  -2.102
  174    HA   VAL  23           HA       VAL  23  -6.189  -4.910   0.668
  175    HB   VAL  23           HB       VAL  23  -4.856  -6.972  -1.104
  176   1HG1  VAL  23          HG13      VAL  23  -4.129  -5.710   1.544
  177   2HG1  VAL  23          HG12      VAL  23  -3.522  -7.301   1.092
  178   3HG1  VAL  23          HG11      VAL  23  -3.129  -5.897   0.105
  179   1HG2  VAL  23          HG21      VAL  23  -6.546  -7.161   1.390
  180   2HG2  VAL  23          HG23      VAL  23  -6.777  -7.991  -0.148
  181   3HG2  VAL  23          HG22      VAL  23  -5.442  -8.447   0.904
  182    H    VAL  24           HN       VAL  24  -5.353  -2.912   0.400
  183    HA   VAL  24           HA       VAL  24  -3.832  -2.315  -2.094
  184    HB   VAL  24           HB       VAL  24  -4.756  -0.400   0.081
  185   1HG1  VAL  24          HG13      VAL  24  -2.822   0.259  -1.437
  186   2HG1  VAL  24          HG12      VAL  24  -3.948   0.135  -2.787
  187   3HG1  VAL  24          HG11      VAL  24  -4.226   1.320  -1.511
  188   1HG2  VAL  24          HG22      VAL  24  -6.051  -1.311  -2.495
  189   2HG2  VAL  24          HG21      VAL  24  -6.754  -1.273  -0.880
  190   3HG2  VAL  24          HG23      VAL  24  -6.454   0.234  -1.748
  191    H    VAL  25           HN       VAL  25  -1.632  -1.771  -1.961
  192    HA   VAL  25           HA       VAL  25  -0.365  -1.954   0.761
  193    HB   VAL  25           HB       VAL  25   0.784  -2.936  -1.871
  194   1HG1  VAL  25          HG12      VAL  25   2.435  -2.219  -0.136
  195   2HG1  VAL  25          HG11      VAL  25   1.704  -3.378   0.975
  196   3HG1  VAL  25          HG13      VAL  25   2.507  -3.945  -0.486
  197   1HG2  VAL  25          HG22      VAL  25  -1.193  -4.262  -1.000
  198   2HG2  VAL  25          HG21      VAL  25   0.312  -5.170  -1.127
  199   3HG2  VAL  25          HG23      VAL  25  -0.239  -4.596   0.442
  200    H    ASP  26           HN       ASP  26   0.642  -0.081   1.278
  201    HA   ASP  26           HA       ASP  26   1.423   1.805  -0.909
  202   1HB   ASP  26           HB2      ASP  26   0.020   2.663   0.962
  203   2HB   ASP  26           HB1      ASP  26   1.302   2.244   2.098
  204    H    PHE  27           HN       PHE  27   3.550   1.806  -1.523
  205    HA   PHE  27           HA       PHE  27   5.601   0.628   0.295
  206   1HB   PHE  27           HB2      PHE  27   5.608   1.295  -2.662
  207   2HB   PHE  27           HB1      PHE  27   7.090   0.894  -1.785
  208    HD1  PHE  27           HD1      PHE  27   7.292  -1.309  -0.619
  209    HD2  PHE  27           HD2      PHE  27   4.050  -0.412  -3.287
  210    HE1  PHE  27           HE1      PHE  27   6.796  -3.729  -0.829
  211    HE2  PHE  27           HE2      PHE  27   3.552  -2.829  -3.481
  212    HZ   PHE  27           HZ       PHE  27   4.924  -4.489  -2.260
  213    H    SER  28           HN       SER  28   4.353   3.445   0.431
  214    HA   SER  28           HA       SER  28   6.236   5.382  -0.323
  215   1HB   SER  28           HB2      SER  28   4.559   5.354   2.202
  216   2HB   SER  28           HB1      SER  28   5.329   6.769   1.492
  217    HG   SER  28           HG       SER  28   2.965   5.870   0.936
  218    H    ALA  29           HN       ALA  29   8.076   6.224   0.587
  219    HA   ALA  29           HA       ALA  29   9.550   4.485   2.424
  220   1HB   ALA  29           HB2      ALA  29  10.153   6.994   0.868
  221   2HB   ALA  29           HB1      ALA  29  11.244   6.493   2.161
  222   3HB   ALA  29           HB3      ALA  29  10.955   5.427   0.784
  223    H    THR  30           HN       THR  30   9.622   4.793   4.619
  224    HA   THR  30           HA       THR  30   7.964   6.819   5.822
  225    HB   THR  30           HB       THR  30   8.433   4.686   6.967
  226    HG1  THR  30           HG1      THR  30   8.882   7.159   8.037
  227   1HG2  THR  30          HG21      THR  30  10.813   4.547   6.103
  228   2HG2  THR  30          HG23      THR  30  11.254   5.718   7.345
  229   3HG2  THR  30          HG22      THR  30  10.619   4.138   7.809
  230    H    TRP  31           HN       TRP  31  11.387   6.568   5.056
  231    HA   TRP  31           HA       TRP  31  12.156   8.892   6.622
  232   1HB   TRP  31           HB2      TRP  31  14.273   8.753   5.429
  233   2HB   TRP  31           HB1      TRP  31  13.769   7.146   5.947
  234    HD1  TRP  31           HD1      TRP  31  13.338   5.379   4.145
  235    HE1  TRP  31           HE1      TRP  31  13.576   5.313   1.577
  236    HE3  TRP  31           HE3      TRP  31  13.888  10.354   3.198
  237    HZ2  TRP  31           HZ2      TRP  31  13.911   7.150  -0.591
  238    HZ3  TRP  31           HZ3      TRP  31  14.139  11.173   0.879
  239    HH2  TRP  31           HH2      TRP  31  14.158   9.579  -1.012
  240    H    CYS  32           HN       CYS  32  10.735   8.473   3.480
  241    HA   CYS  32           HA       CYS  32  11.600  11.129   2.560
  242   1HB   CYS  32           HB2      CYS  32  11.188   9.075   1.061
  243   2HB   CYS  32           HB1      CYS  32   9.473   9.393   1.292
  244    H    GLY  33           HN       GLY  33  10.690  12.844   3.435
  245   1HA   GLY  33           HA2      GLY  33   8.315  12.867   4.968
  246   2HA   GLY  33           HA1      GLY  33   9.089  14.299   4.300
  247    HA   PRO  34           HA       PRO  34   6.136  14.901   1.048
  248   1HB   PRO  34           HB2      PRO  34   7.569  13.286  -1.011
  249   2HB   PRO  34           HB1      PRO  34   7.044  14.979  -1.073
  250   1HG   PRO  34           HG2      PRO  34   9.657  14.240  -0.745
  251   2HG   PRO  34           HG1      PRO  34   8.995  15.754  -0.112
  252   1HD   PRO  34           HD2      PRO  34   9.827  13.327   1.367
  253   2HD   PRO  34           HD1      PRO  34   9.614  14.987   1.973
  254    H    ALA  35           HN       ALA  35   7.370  11.571   1.064
  255    HA   ALA  35           HA       ALA  35   4.851  10.460   0.078
  256   1HB   ALA  35           HB2      ALA  35   7.363   9.523  -0.006
  257   2HB   ALA  35           HB1      ALA  35   6.869   8.750   1.499
  258   3HB   ALA  35           HB3      ALA  35   5.976   8.438   0.008
  259    H    LYS  36           HN       LYS  36   6.546  10.584   3.226
  260    HA   LYS  36           HA       LYS  36   4.579   9.179   4.728
  261   1HB   LYS  36           HB2      LYS  36   6.855   9.817   5.576
  262   2HB   LYS  36           HB1      LYS  36   6.292  11.485   5.699
  263   1HG   LYS  36           HG2      LYS  36   4.470  10.732   7.222
  264   2HG   LYS  36           HG1      LYS  36   5.102   9.092   7.134
  265   1HD   LYS  36           HD2      LYS  36   6.093   9.882   9.099
  266   2HD   LYS  36           HD1      LYS  36   7.356  10.188   7.910
  267   1HE   LYS  36           HE2      LYS  36   6.703  12.522   7.739
  268   2HE   LYS  36           HE1      LYS  36   5.301  12.246   8.776
  269   1HZ   LYS  36           HZ2      LYS  36   7.694  11.311   9.986
  270   2HZ   LYS  36           HZ1      LYS  36   7.822  12.957   9.584
  271   3HZ   LYS  36           HZ3      LYS  36   6.552  12.424  10.575
  272    H    MET  37           HN       MET  37   4.774  12.500   3.653
  273    HA   MET  37           HA       MET  37   2.749  13.655   5.258
  274   1HB   MET  37           HB2      MET  37   4.356  14.862   3.746
  275   2HB   MET  37           HB1      MET  37   3.387  14.331   2.376
  276   1HG   MET  37           HG2      MET  37   2.111  15.809   4.675
  277   2HG   MET  37           HG1      MET  37   2.913  16.680   3.370
  278   1HE   MET  37           HE2      MET  37   2.576  15.938   0.877
  279   2HE   MET  37           HE1      MET  37   0.941  16.256   0.303
  280   3HE   MET  37           HE3      MET  37   1.759  17.428   1.345
  281    H    ILE  38           HN       ILE  38   2.523  11.556   2.469
  282    HA   ILE  38           HA       ILE  38  -0.326  12.097   2.046
  283    HB   ILE  38           HB       ILE  38   1.166   9.735   0.884
  284   1HG1  ILE  38          HG12      ILE  38   1.223  12.582  -0.185
  285   2HG1  ILE  38          HG11      ILE  38   2.583  11.783   0.600
  286   1HG2  ILE  38          HG22      ILE  38  -1.263   9.940   0.475
  287   2HG2  ILE  38          HG21      ILE  38  -1.023  11.562  -0.165
  288   3HG2  ILE  38          HG23      ILE  38  -0.357  10.169  -1.014
  289   1HD1  ILE  38          HD13      ILE  38   2.313   9.929  -1.135
  290   2HD1  ILE  38          HD12      ILE  38   1.256  11.039  -2.002
  291   3HD1  ILE  38          HD11      ILE  38   2.945  11.465  -1.717
  292    H    LYS  39           HN       LYS  39   1.339  10.223   4.351
  293    HA   LYS  39           HA       LYS  39  -0.202   7.856   4.252
  294   1HB   LYS  39           HB2      LYS  39   0.641   7.222   6.331
  295   2HB   LYS  39           HB1      LYS  39   1.895   8.237   5.650
  296   1HG   LYS  39           HG2      LYS  39   1.463  10.010   7.134
  297   2HG   LYS  39           HG1      LYS  39  -0.151   9.431   7.536
  298   1HD   LYS  39           HD2      LYS  39   2.418   7.998   8.252
  299   2HD   LYS  39           HD1      LYS  39   1.508   9.026   9.353
  300   1HE   LYS  39           HE2      LYS  39   0.485   7.061   9.953
  301   2HE   LYS  39           HE1      LYS  39  -0.468   7.311   8.493
  302   1HZ   LYS  39           HZ2      LYS  39   1.668   6.140   7.456
  303   2HZ   LYS  39           HZ1      LYS  39   1.700   5.438   9.006
  304   3HZ   LYS  39           HZ3      LYS  39   0.325   5.269   8.026
  305    HA   PRO  40           HA       PRO  40  -3.308   9.988   7.376
  306   1HB   PRO  40           HB2      PRO  40  -3.717  12.481   5.783
  307   2HB   PRO  40           HB1      PRO  40  -3.653  12.272   7.544
  308   1HG   PRO  40           HG2      PRO  40  -1.635  13.436   6.226
  309   2HG   PRO  40           HG1      PRO  40  -1.322  12.356   7.594
  310   1HD   PRO  40           HD2      PRO  40  -1.056  11.806   4.669
  311   2HD   PRO  40           HD1      PRO  40  -0.004  11.262   5.992
  312    H    PHE  41           HN       PHE  41  -3.399  10.724   3.850
  313    HA   PHE  41           HA       PHE  41  -6.236  10.214   3.612
  314   1HB   PHE  41           HB2      PHE  41  -3.981  10.098   1.583
  315   2HB   PHE  41           HB1      PHE  41  -5.674   9.888   1.169
  316    HD1  PHE  41           HD2      PHE  41  -3.263  12.243   2.709
  317    HD2  PHE  41           HD1      PHE  41  -7.097  11.742   0.847
  318    HE1  PHE  41           HE2      PHE  41  -3.522  14.704   2.597
  319    HE2  PHE  41           HE1      PHE  41  -7.363  14.211   0.735
  320    HZ   PHE  41           HZ       PHE  41  -5.575  15.691   1.608
  321    H    PHE  42           HN       PHE  42  -3.362   8.232   2.902
  322    HA   PHE  42           HA       PHE  42  -4.746   5.850   2.150
  323   1HB   PHE  42           HB2      PHE  42  -2.371   6.275   1.677
  324   2HB   PHE  42           HB1      PHE  42  -2.000   6.235   3.402
  325    HD1  PHE  42           HD1      PHE  42  -3.157   4.215   0.511
  326    HD2  PHE  42           HD2      PHE  42  -1.820   4.180   4.593
  327    HE1  PHE  42           HE1      PHE  42  -2.953   1.744   0.425
  328    HE2  PHE  42           HE2      PHE  42  -1.613   1.713   4.510
  329    HZ   PHE  42           HZ       PHE  42  -2.182   0.491   2.426
  330    H    HIS  43           HN       HIS  43  -3.338   6.829   5.245
  331    HA   HIS  43           HA       HIS  43  -4.251   4.572   6.762
  332   1HB   HIS  43           HB2      HIS  43  -2.361   6.009   7.428
  333   2HB   HIS  43           HB1      HIS  43  -3.462   7.374   7.624
  334    HD1  HIS  43           HD1      HIS  43  -2.375   4.197   9.232
  335    HD2  HIS  43           HD2      HIS  43  -5.166   7.206   9.908
  336    HE1  HIS  43           HE1      HIS  43  -3.389   3.727  11.505
  337    H    SER  44           HN       SER  44  -5.595   7.848   6.287
  338    HA   SER  44           HA       SER  44  -7.755   7.567   8.144
  339   1HB   SER  44           HB2      SER  44  -7.568   9.326   5.684
  340   2HB   SER  44           HB1      SER  44  -8.805   9.460   6.927
  341    HG   SER  44           HG       SER  44  -7.194   9.922   8.427
  342    H    LEU  45           HN       LEU  45  -7.465   6.802   4.712
  343    HA   LEU  45           HA       LEU  45 -10.215   6.253   4.220
  344   1HB   LEU  45           HB2      LEU  45  -7.692   5.253   2.926
  345   2HB   LEU  45           HB1      LEU  45  -9.277   4.789   2.339
  346    HG   LEU  45           HG       LEU  45  -8.563   7.703   2.718
  347   1HD1  LEU  45          HD11      LEU  45  -6.835   6.699   1.262
  348   2HD1  LEU  45          HD13      LEU  45  -8.099   6.015   0.239
  349   3HD1  LEU  45          HD12      LEU  45  -7.899   7.765   0.341
  350   1HD2  LEU  45          HD23      LEU  45 -10.593   6.166   1.078
  351   2HD2  LEU  45          HD22      LEU  45 -10.893   7.354   2.344
  352   3HD2  LEU  45          HD21      LEU  45 -10.238   7.868   0.798
  353    H    SER  46           HN       SER  46  -7.777   4.365   5.859
  354    HA   SER  46           HA       SER  46  -8.788   1.767   5.484
  355   1HB   SER  46           HB2      SER  46  -7.746   2.939   8.089
  356   2HB   SER  46           HB1      SER  46  -7.888   1.226   7.720
  357    HG   SER  46           HG       SER  46  -6.326   1.431   6.176
  358    H    GLU  47           HN       GLU  47  -9.886   4.340   7.653
  359    HA   GLU  47           HA       GLU  47 -12.052   2.654   8.701
  360   1HB   GLU  47           HB2      GLU  47 -11.415   5.605   9.042
  361   2HB   GLU  47           HB1      GLU  47 -12.768   4.793   9.825
  362   1HG   GLU  47           HG2      GLU  47  -9.859   3.989  10.152
  363   2HG   GLU  47           HG1      GLU  47 -10.768   4.958  11.308
  364    H    LYS  48           HN       LYS  48 -11.573   4.743   5.955
  365    HA   LYS  48           HA       LYS  48 -14.399   5.443   5.658
  366   1HB   LYS  48           HB2      LYS  48 -12.561   6.789   4.567
  367   2HB   LYS  48           HB1      LYS  48 -12.260   5.411   3.502
  368   1HG   LYS  48           HG2      LYS  48 -14.633   5.512   2.742
  369   2HG   LYS  48           HG1      LYS  48 -14.865   6.950   3.733
  370   1HD   LYS  48           HD2      LYS  48 -13.108   8.117   2.451
  371   2HD   LYS  48           HD1      LYS  48 -12.882   6.673   1.461
  372   1HE   LYS  48           HE2      LYS  48 -15.208   6.815   0.687
  373   2HE   LYS  48           HE1      LYS  48 -15.461   8.245   1.685
  374   1HZ   LYS  48           HZ3      LYS  48 -13.492   8.004  -0.526
  375   2HZ   LYS  48           HZ2      LYS  48 -14.969   8.840  -0.604
  376   3HZ   LYS  48           HZ1      LYS  48 -13.737   9.383   0.431
  377    H    TYR  49           HN       TYR  49 -12.173   2.989   4.516
  378    HA   TYR  49           HA       TYR  49 -14.512   1.398   3.489
  379   1HB   TYR  49           HB2      TYR  49 -11.652   1.441   2.450
  380   2HB   TYR  49           HB1      TYR  49 -12.904   0.324   1.910
  381    HD1  TYR  49           HD2      TYR  49 -15.143   1.412   1.086
  382    HD2  TYR  49           HD1      TYR  49 -11.399   3.502   1.340
  383    HE1  TYR  49           HE2      TYR  49 -15.981   3.107  -0.519
  384    HE2  TYR  49           HE1      TYR  49 -12.240   5.197  -0.266
  385    HH   TYR  49           HH       TYR  49 -13.973   5.323  -2.073
  386    H    SER  50           HN       SER  50 -14.395   0.949   5.902
  387    HA   SER  50           HA       SER  50 -12.255  -0.555   7.034
  388   1HB   SER  50           HB2      SER  50 -13.800  -1.040   8.805
  389   2HB   SER  50           HB1      SER  50 -14.161   0.586   8.253
  390    HG   SER  50           HG       SER  50 -15.473  -1.762   7.341
  391    H    ASN  51           HN       ASN  51 -14.481  -1.327   4.616
  392    HA   ASN  51           HA       ASN  51 -14.477  -4.234   5.158
  393   1HB   ASN  51           HB2      ASN  51 -16.497  -3.015   4.211
  394   2HB   ASN  51           HB1      ASN  51 -15.566  -2.784   2.732
  395   1HD2  ASN  51          HD22      ASN  51 -16.292  -6.007   1.546
  396   2HD2  ASN  51          HD21      ASN  51 -15.789  -4.422   1.209
  397    H    VAL  52           HN       VAL  52 -12.213  -2.221   4.171
  398    HA   VAL  52           HA       VAL  52 -11.068  -4.127   2.174
  399    HB   VAL  52           HB       VAL  52 -11.022  -1.098   2.154
  400   1HG1  VAL  52          HG11      VAL  52  -9.174  -3.101   0.873
  401   2HG1  VAL  52          HG13      VAL  52  -9.567  -1.617   0.002
  402   3HG1  VAL  52          HG12      VAL  52  -8.798  -1.535   1.583
  403   1HG2  VAL  52          HG21      VAL  52 -12.944  -2.271   1.090
  404   2HG2  VAL  52          HG23      VAL  52 -11.958  -1.405  -0.087
  405   3HG2  VAL  52          HG22      VAL  52 -11.809  -3.154   0.070
  406    H    ILE  53           HN       ILE  53  -8.821  -4.543   2.453
  407    HA   ILE  53           HA       ILE  53  -7.786  -3.707   5.141
  408    HB   ILE  53           HB       ILE  53  -6.635  -5.775   3.254
  409   1HG1  ILE  53          HG12      ILE  53  -8.907  -6.464   3.710
  410   2HG1  ILE  53          HG11      ILE  53  -7.839  -7.426   4.728
  411   1HG2  ILE  53          HG23      ILE  53  -5.302  -4.802   5.224
  412   2HG2  ILE  53          HG22      ILE  53  -6.445  -5.632   6.265
  413   3HG2  ILE  53          HG21      ILE  53  -5.439  -6.554   5.149
  414   1HD1  ILE  53          HD12      ILE  53  -8.248  -5.592   6.528
  415   2HD1  ILE  53          HD11      ILE  53  -9.619  -5.126   5.525
  416   3HD1  ILE  53          HD13      ILE  53  -9.543  -6.747   6.211
  417    H    PHE  54           HN       PHE  54  -6.311  -2.077   5.196
  418    HA   PHE  54           HA       PHE  54  -4.787  -1.417   2.700
  419   1HB   PHE  54           HB2      PHE  54  -5.340   0.194   5.212
  420   2HB   PHE  54           HB1      PHE  54  -4.284   0.731   3.910
  421    HD1  PHE  54           HD1      PHE  54  -7.773  -0.449   4.581
  422    HD2  PHE  54           HD2      PHE  54  -5.182   1.848   2.037
  423    HE1  PHE  54           HE1      PHE  54  -9.742   0.429   3.356
  424    HE2  PHE  54           HE2      PHE  54  -7.157   2.708   0.803
  425    HZ   PHE  54           HZ       PHE  54  -9.434   1.994   1.463
  426    H    LEU  55           HN       LEU  55  -2.628  -1.899   2.658
  427    HA   LEU  55           HA       LEU  55  -1.259  -2.567   5.245
  428   1HB   LEU  55           HB2      LEU  55  -0.716  -3.540   2.431
  429   2HB   LEU  55           HB1      LEU  55   0.435  -3.758   3.741
  430    HG   LEU  55           HG       LEU  55  -1.059  -5.190   4.926
  431   1HD1  LEU  55          HD12      LEU  55  -3.153  -4.169   3.021
  432   2HD1  LEU  55          HD11      LEU  55  -3.364  -5.695   3.876
  433   3HD1  LEU  55          HD13      LEU  55  -3.159  -4.207   4.787
  434   1HD2  LEU  55          HD22      LEU  55   0.105  -6.099   2.867
  435   2HD2  LEU  55          HD21      LEU  55  -1.305  -7.015   3.391
  436   3HD2  LEU  55          HD23      LEU  55  -1.425  -5.924   2.012
  437    H    GLU  56           HN       GLU  56   0.600  -1.539   5.740
  438    HA   GLU  56           HA       GLU  56   1.551   0.594   3.860
  439   1HB   GLU  56           HB2      GLU  56   0.601   1.345   6.095
  440   2HB   GLU  56           HB1      GLU  56   1.937   0.488   6.867
  441   1HG   GLU  56           HG2      GLU  56   3.543   1.843   5.535
  442   2HG   GLU  56           HG1      GLU  56   2.187   2.741   4.849
  443    H    VAL  57           HN       VAL  57   3.597   0.313   3.122
  444    HA   VAL  57           HA       VAL  57   5.333  -1.713   4.509
  445    HB   VAL  57           HB       VAL  57   5.063  -1.251   1.529
  446   1HG1  VAL  57          HG12      VAL  57   6.587  -3.275   3.184
  447   2HG1  VAL  57          HG11      VAL  57   6.409  -3.352   1.434
  448   3HG1  VAL  57          HG13      VAL  57   7.291  -2.015   2.171
  449   1HG2  VAL  57          HG23      VAL  57   3.065  -2.306   2.530
  450   2HG2  VAL  57          HG22      VAL  57   3.966  -3.450   1.530
  451   3HG2  VAL  57          HG21      VAL  57   4.097  -3.519   3.288
  452    H    ASP  58           HN       ASP  58   7.448  -1.164   4.771
  453    HA   ASP  58           HA       ASP  58   8.303   1.576   3.945
  454   1HB   ASP  58           HB2      ASP  58   8.474   0.767   6.363
  455   2HB   ASP  58           HB1      ASP  58   9.704  -0.368   5.792
  456    H    VAL  59           HN       VAL  59   9.533   1.627   2.052
  457    HA   VAL  59           HA       VAL  59  10.642  -0.816   0.941
  458    HB   VAL  59           HB       VAL  59  11.842   0.728  -0.619
  459   1HG1  VAL  59          HG13      VAL  59   8.891   1.121  -0.095
  460   2HG1  VAL  59          HG12      VAL  59   9.695   1.786  -1.516
  461   3HG1  VAL  59          HG11      VAL  59   9.649   0.045  -1.268
  462   1HG2  VAL  59          HG21      VAL  59  12.155   2.569   1.071
  463   2HG2  VAL  59          HG23      VAL  59  11.505   3.120  -0.471
  464   3HG2  VAL  59          HG22      VAL  59  10.437   2.928   0.919
  465    H    ASP  60           HN       ASP  60  11.684   1.430   3.330
  466    HA   ASP  60           HA       ASP  60  14.538   0.686   3.042
  467   1HB   ASP  60           HB2      ASP  60  13.005   2.661   4.714
  468   2HB   ASP  60           HB1      ASP  60  14.659   2.250   5.122
  469    H    ASP  61           HN       ASP  61  11.930   0.263   5.492
  470    HA   ASP  61           HA       ASP  61  13.758  -1.534   7.030
  471   1HB   ASP  61           HB2      ASP  61  10.939  -0.594   7.680
  472   2HB   ASP  61           HB1      ASP  61  11.963  -1.567   8.726
  473    H    ALA  62           HN       ALA  62  11.261  -1.619   4.711
  474    HA   ALA  62           HA       ALA  62  10.924  -4.570   5.112
  475   1HB   ALA  62           HB2      ALA  62   8.888  -2.856   5.438
  476   2HB   ALA  62           HB1      ALA  62   8.821  -2.974   3.681
  477   3HB   ALA  62           HB3      ALA  62   8.646  -4.425   4.672
  478    H    GLN  63           HN       GLN  63  12.998  -3.293   3.651
  479    HA   GLN  63           HA       GLN  63  12.499  -2.959   0.881
  480   1HB   GLN  63           HB2      GLN  63  14.887  -3.189   0.580
  481   2HB   GLN  63           HB1      GLN  63  14.617  -2.334   2.098
  482   1HG   GLN  63           HG2      GLN  63  14.795  -4.572   3.273
  483   2HG   GLN  63           HG1      GLN  63  15.326  -5.257   1.739
  484   1HE2  GLN  63          HE22      GLN  63  18.630  -4.353   2.487
  485   2HE2  GLN  63          HE21      GLN  63  17.549  -5.544   1.946
  486    H    ASP  64           HN       ASP  64  12.623  -5.848   2.787
  487    HA   ASP  64           HA       ASP  64  13.335  -7.663   0.680
  488   1HB   ASP  64           HB2      ASP  64  12.195  -9.372   2.172
  489   2HB   ASP  64           HB1      ASP  64  13.464  -8.436   2.956
  490    H    VAL  65           HN       VAL  65  10.289  -6.258   1.807
  491    HA   VAL  65           HA       VAL  65   8.601  -7.849   0.083
  492    HB   VAL  65           HB       VAL  65   7.979  -5.087   1.167
  493   1HG1  VAL  65          HG13      VAL  65   6.414  -6.127  -0.467
  494   2HG1  VAL  65          HG12      VAL  65   6.220  -7.492   0.634
  495   3HG1  VAL  65          HG11      VAL  65   5.684  -5.883   1.122
  496   1HG2  VAL  65          HG23      VAL  65   8.105  -7.745   2.578
  497   2HG2  VAL  65          HG22      VAL  65   8.662  -6.172   3.133
  498   3HG2  VAL  65          HG21      VAL  65   6.939  -6.532   3.096
  499    H    ALA  66           HN       ALA  66   9.931  -4.543  -0.118
  500    HA   ALA  66           HA       ALA  66   8.767  -3.962  -2.689
  501   1HB   ALA  66           HB2      ALA  66   9.666  -2.341  -0.861
  502   2HB   ALA  66           HB1      ALA  66  11.227  -2.579  -1.647
  503   3HB   ALA  66           HB3      ALA  66   9.870  -1.910  -2.557
  504    H    SER  67           HN       SER  67  11.949  -5.228  -1.704
  505    HA   SER  67           HA       SER  67  13.226  -4.951  -4.234
  506   1HB   SER  67           HB2      SER  67  14.752  -6.708  -3.467
  507   2HB   SER  67           HB1      SER  67  14.411  -5.595  -2.144
  508    HG   SER  67           HG       SER  67  13.074  -7.077  -1.241
  509    H    GLU  68           HN       GLU  68  11.086  -7.450  -2.960
  510    HA   GLU  68           HA       GLU  68  11.368  -9.310  -5.113
  511   1HB   GLU  68           HB2      GLU  68  10.270  -9.756  -2.873
  512   2HB   GLU  68           HB1      GLU  68   8.876  -8.844  -3.450
  513   1HG   GLU  68           HG2      GLU  68  10.007 -11.197  -4.981
  514   2HG   GLU  68           HG1      GLU  68   8.770 -11.392  -3.743
  515    H    ALA  69           HN       ALA  69   9.331  -6.459  -4.671
  516    HA   ALA  69           HA       ALA  69   7.895  -6.957  -7.187
  517   1HB   ALA  69           HB3      ALA  69   7.806  -4.649  -5.232
  518   2HB   ALA  69           HB2      ALA  69   6.764  -4.806  -6.645
  519   3HB   ALA  69           HB1      ALA  69   6.658  -5.984  -5.337
  520    H    GLU  70           HN       GLU  70  10.913  -5.748  -6.502
  521    HA   GLU  70           HA       GLU  70  12.403  -4.387  -7.703
  522   1HB   GLU  70           HB2      GLU  70  10.453  -5.116  -9.906
  523   2HB   GLU  70           HB1      GLU  70  11.968  -4.265 -10.182
  524   1HG   GLU  70           HG2      GLU  70  12.452  -6.554 -10.568
  525   2HG   GLU  70           HG1      GLU  70  13.113  -6.198  -8.974
  526    H    VAL  71           HN       VAL  71  10.709  -2.863  -6.187
  527    HA   VAL  71           HA       VAL  71   9.182  -0.966  -7.717
  528    HB   VAL  71           HB       VAL  71  10.523  -0.488  -5.030
  529   1HG1  VAL  71          HG11      VAL  71   8.166   0.751  -6.490
  530   2HG1  VAL  71          HG13      VAL  71   8.470   1.004  -4.772
  531   3HG1  VAL  71          HG12      VAL  71   9.650   1.550  -5.968
  532   1HG2  VAL  71          HG21      VAL  71   7.887  -1.830  -5.748
  533   2HG2  VAL  71          HG23      VAL  71   9.223  -2.521  -4.831
  534   3HG2  VAL  71          HG22      VAL  71   8.252  -1.226  -4.133
  535    H    LYS  72           HN       LYS  72   9.831   0.870  -8.751
  536    HA   LYS  72           HA       LYS  72  12.751   1.452  -8.806
  537   1HB   LYS  72           HB2      LYS  72  10.566   2.108 -10.794
  538   2HB   LYS  72           HB1      LYS  72  12.264   2.521 -10.990
  539   1HG   LYS  72           HG2      LYS  72  11.411  -0.352 -10.530
  540   2HG   LYS  72           HG1      LYS  72  11.397   0.354 -12.145
  541   1HD   LYS  72           HD2      LYS  72  13.821   1.014 -11.772
  542   2HD   LYS  72           HD1      LYS  72  13.782   0.043 -10.304
  543   1HE   LYS  72           HE2      LYS  72  13.139  -0.997 -13.074
  544   2HE   LYS  72           HE1      LYS  72  14.680  -1.219 -12.246
  545   1HZ   LYS  72           HZ2      LYS  72  13.018  -2.075 -10.377
  546   2HZ   LYS  72           HZ1      LYS  72  12.110  -2.482 -11.754
  547   3HZ   LYS  72           HZ3      LYS  72  13.678  -3.098 -11.563
  548    H    ALA  73           HN       ALA  73   9.720   2.715  -7.770
  549    HA   ALA  73           HA       ALA  73  11.068   5.150  -6.852
  550   1HB   ALA  73           HB3      ALA  73  10.390   5.554  -9.276
  551   2HB   ALA  73           HB2      ALA  73   8.721   5.492  -8.710
  552   3HB   ALA  73           HB1      ALA  73   9.817   6.727  -8.095
  553    H    THR  74           HN       THR  74   9.807   6.373  -5.355
  554    HA   THR  74           HA       THR  74   7.295   5.032  -4.407
  555    HB   THR  74           HB       THR  74   7.994   5.472  -2.116
  556    HG1  THR  74           HG1      THR  74   9.014   7.311  -2.033
  557   1HG2  THR  74          HG23      THR  74   9.106   3.558  -3.440
  558   2HG2  THR  74          HG22      THR  74  10.536   4.592  -3.435
  559   3HG2  THR  74          HG21      THR  74   9.839   4.050  -1.914
  560    HA   PRO  75           HA       PRO  75   5.889   5.664  -2.636
  561   1HB   PRO  75           HB2      PRO  75   3.294   6.625  -2.673
  562   2HB   PRO  75           HB1      PRO  75   4.522   7.095  -1.491
  563   1HG   PRO  75           HG2      PRO  75   3.438   8.644  -3.771
  564   2HG   PRO  75           HG1      PRO  75   4.188   9.218  -2.278
  565   1HD   PRO  75           HD2      PRO  75   5.416   9.091  -4.841
  566   2HD   PRO  75           HD1      PRO  75   6.237   9.425  -3.295
  567    H    THR  76           HN       THR  76   4.970   3.752  -3.349
  568    HA   THR  76           HA       THR  76   3.525   3.789  -5.977
  569    HB   THR  76           HB       THR  76   5.436   1.639  -5.031
  570    HG1  THR  76           HG1      THR  76   5.848   2.973  -7.394
  571   1HG2  THR  76          HG22      THR  76   3.713   1.950  -7.502
  572   2HG2  THR  76          HG21      THR  76   5.044   0.798  -7.393
  573   3HG2  THR  76          HG23      THR  76   3.654   0.646  -6.316
  574    H    PHE  77           HN       PHE  77   1.611   2.864  -5.898
  575    HA   PHE  77           HA       PHE  77   0.853   1.329  -3.447
  576   1HB   PHE  77           HB2      PHE  77  -0.869   2.826  -5.441
  577   2HB   PHE  77           HB1      PHE  77  -1.461   1.973  -4.013
  578    HD1  PHE  77           HD1      PHE  77  -0.816   2.771  -1.718
  579    HD2  PHE  77           HD2      PHE  77   0.179   4.972  -5.274
  580    HE1  PHE  77           HE1      PHE  77  -0.363   4.789  -0.344
  581    HE2  PHE  77           HE2      PHE  77   0.633   6.988  -3.900
  582    HZ   PHE  77           HZ       PHE  77   0.362   6.895  -1.435
  583    H    GLN  78           HN       GLN  78   0.310  -0.769  -3.689
  584    HA   GLN  78           HA       GLN  78  -0.188  -1.807  -6.462
  585   1HB   GLN  78           HB2      GLN  78   1.343  -3.071  -4.181
  586   2HB   GLN  78           HB1      GLN  78   0.837  -3.946  -5.626
  587   1HG   GLN  78           HG2      GLN  78   2.066  -2.249  -7.007
  588   2HG   GLN  78           HG1      GLN  78   2.691  -1.549  -5.513
  589   1HE2  GLN  78          HE22      GLN  78   5.399  -3.804  -6.040
  590   2HE2  GLN  78          HE21      GLN  78   4.907  -2.188  -6.179
  591    H    PHE  79           HN       PHE  79  -1.851  -3.234  -6.661
  592    HA   PHE  79           HA       PHE  79  -3.606  -3.539  -4.246
  593   1HB   PHE  79           HB2      PHE  79  -4.250  -3.533  -7.203
  594   2HB   PHE  79           HB1      PHE  79  -5.420  -3.855  -5.920
  595    HD1  PHE  79           HD2      PHE  79  -2.995  -1.324  -7.189
  596    HD2  PHE  79           HD1      PHE  79  -6.379  -2.094  -4.667
  597    HE1  PHE  79           HE2      PHE  79  -3.251   1.107  -6.792
  598    HE2  PHE  79           HE1      PHE  79  -6.635   0.333  -4.262
  599    HZ   PHE  79           HZ       PHE  79  -5.076   1.937  -5.326
  600    H    PHE  80           HN       PHE  80  -4.108  -5.511  -3.534
  601    HA   PHE  80           HA       PHE  80  -3.432  -7.879  -5.218
  602   1HB   PHE  80           HB2      PHE  80  -2.907  -7.414  -2.284
  603   2HB   PHE  80           HB1      PHE  80  -2.868  -9.018  -3.017
  604    HD1  PHE  80           HD2      PHE  80  -1.217  -5.693  -2.882
  605    HD2  PHE  80           HD1      PHE  80  -1.127  -9.656  -4.563
  606    HE1  PHE  80           HE2      PHE  80   1.113  -5.328  -3.644
  607    HE2  PHE  80           HE1      PHE  80   1.202  -9.279  -5.324
  608    HZ   PHE  80           HZ       PHE  80   2.321  -7.114  -4.863
  609    H    LYS  81           HN       LYS  81  -4.855  -9.662  -5.005
  610    HA   LYS  81           HA       LYS  81  -7.195  -9.355  -3.198
  611   1HB   LYS  81           HB2      LYS  81  -7.566  -8.255  -5.543
  612   2HB   LYS  81           HB1      LYS  81  -7.633  -9.912  -6.140
  613   1HG   LYS  81           HG2      LYS  81  -9.448 -10.397  -4.522
  614   2HG   LYS  81           HG1      LYS  81  -9.404  -8.722  -3.984
  615   1HD   LYS  81           HD2      LYS  81  -9.847  -8.052  -6.391
  616   2HD   LYS  81           HD1      LYS  81 -10.145  -9.758  -6.731
  617   1HE   LYS  81           HE2      LYS  81 -11.919  -9.800  -5.027
  618   2HE   LYS  81           HE1      LYS  81 -11.616  -8.100  -4.658
  619   1HZ   LYS  81           HZ3      LYS  81 -12.191  -8.896  -7.428
  620   2HZ   LYS  81           HZ2      LYS  81 -13.475  -8.770  -6.324
  621   3HZ   LYS  81           HZ1      LYS  81 -12.495  -7.421  -6.648
  622    H    LYS  82           HN       LYS  82  -7.603 -11.355  -2.334
  623    HA   LYS  82           HA       LYS  82  -7.378 -13.670  -1.980
  624   1HB   LYS  82           HB2      LYS  82  -7.613 -13.697  -5.016
  625   2HB   LYS  82           HB1      LYS  82  -7.837 -15.089  -3.958
  626   1HG   LYS  82           HG2      LYS  82  -9.750 -14.051  -2.895
  627   2HG   LYS  82           HG1      LYS  82  -9.480 -12.552  -3.770
  628   1HD   LYS  82           HD2      LYS  82  -9.862 -13.760  -5.912
  629   2HD   LYS  82           HD1      LYS  82 -10.221 -15.222  -4.992
  630   1HE   LYS  82           HE2      LYS  82 -12.113 -14.131  -3.910
  631   2HE   LYS  82           HE1      LYS  82 -11.719 -12.603  -4.699
  632   1HZ   LYS  82           HZ1      LYS  82 -11.967 -13.852  -6.852
  633   2HZ   LYS  82           HZ3      LYS  82 -12.664 -15.110  -5.954
  634   3HZ   LYS  82           HZ2      LYS  82 -13.403 -13.579  -5.984
  635    H    GLY  83           HN       GLY  83  -4.939 -12.058  -2.296
  636   1HA   GLY  83           HA2      GLY  83  -2.638 -12.538  -2.256
  637   2HA   GLY  83           HA1      GLY  83  -3.025 -14.218  -2.617
  638    H    GLN  84           HN       GLN  84  -4.360 -11.808  -4.737
  639    HA   GLN  84           HA       GLN  84  -2.265 -12.443  -6.778
  640   1HB   GLN  84           HB2      GLN  84  -5.262 -12.189  -7.153
  641   2HB   GLN  84           HB1      GLN  84  -4.110 -12.289  -8.481
  642   1HG   GLN  84           HG2      GLN  84  -4.261 -14.387  -6.309
  643   2HG   GLN  84           HG1      GLN  84  -5.200 -14.492  -7.796
  644   1HE2  GLN  84          HE22      GLN  84  -1.447 -14.189  -9.097
  645   2HE2  GLN  84          HE21      GLN  84  -2.383 -12.873  -8.562
  646    H    LYS  85           HN       LYS  85  -1.391 -10.744  -7.857
  647    HA   LYS  85           HA       LYS  85  -2.090  -8.004  -7.072
  648   1HB   LYS  85           HB2      LYS  85   0.243  -8.709  -7.498
  649   2HB   LYS  85           HB1      LYS  85  -0.170  -9.064  -9.175
  650   1HG   LYS  85           HG2      LYS  85  -0.829  -6.659  -9.461
  651   2HG   LYS  85           HG1      LYS  85  -0.255  -6.350  -7.823
  652   1HD   LYS  85           HD2      LYS  85   1.989  -7.191  -8.471
  653   2HD   LYS  85           HD1      LYS  85   1.404  -7.434 -10.116
  654   1HE   LYS  85           HE2      LYS  85   1.484  -4.780  -8.657
  655   2HE   LYS  85           HE1      LYS  85   2.603  -5.291  -9.919
  656   1HZ   LYS  85           HZ1      LYS  85   0.417  -5.679 -11.240
  657   2HZ   LYS  85           HZ3      LYS  85  -0.235  -4.571 -10.134
  658   3HZ   LYS  85           HZ2      LYS  85   1.072  -4.116 -11.121
  659    H    VAL  86           HN       VAL  86  -3.580  -6.761  -8.102
  660    HA   VAL  86           HA       VAL  86  -4.344  -7.475 -10.912
  661    HB   VAL  86           HB       VAL  86  -6.639  -6.696 -10.351
  662   1HG1  VAL  86          HG12      VAL  86  -5.861  -9.117 -10.182
  663   2HG1  VAL  86          HG11      VAL  86  -5.727  -8.859  -8.442
  664   3HG1  VAL  86          HG13      VAL  86  -7.293  -8.711  -9.238
  665   1HG2  VAL  86          HG21      VAL  86  -5.540  -6.657  -7.521
  666   2HG2  VAL  86          HG23      VAL  86  -6.032  -5.240  -8.448
  667   3HG2  VAL  86          HG22      VAL  86  -7.232  -6.441  -7.967
  668    H    GLY  87           HN       GLY  87  -2.754  -5.134  -9.206
  669   1HA   GLY  87           HA2      GLY  87  -2.977  -3.234 -11.333
  670   2HA   GLY  87           HA1      GLY  87  -4.063  -2.737 -10.040
  671    H    GLU  88           HN       GLU  88  -1.889  -1.201 -10.895
  672    HA   GLU  88           HA       GLU  88  -0.544  -0.699  -8.396
  673   1HB   GLU  88           HB2      GLU  88   0.829  -2.568  -8.986
  674   2HB   GLU  88           HB1      GLU  88   0.971  -2.023 -10.649
  675   1HG   GLU  88           HG2      GLU  88   2.009  -0.356  -8.351
  676   2HG   GLU  88           HG1      GLU  88   2.982  -1.638  -9.073
  677    H    PHE  89           HN       PHE  89   0.492   1.340  -8.405
  678    HA   PHE  89           HA       PHE  89   1.037   2.720 -10.909
  679   1HB   PHE  89           HB2      PHE  89  -0.550   4.490 -10.815
  680   2HB   PHE  89           HB1      PHE  89  -1.478   3.006 -10.674
  681    HD1  PHE  89           HD1      PHE  89  -0.064   5.869  -8.768
  682    HD2  PHE  89           HD2      PHE  89  -2.749   2.525  -8.708
  683    HE1  PHE  89           HE1      PHE  89  -1.080   6.729  -6.668
  684    HE2  PHE  89           HE2      PHE  89  -3.762   3.376  -6.610
  685    HZ   PHE  89           HZ       PHE  89  -2.933   5.485  -5.595
  686    H    SER  90           HN       SER  90   1.971   4.866 -10.521
  687    HA   SER  90           HA       SER  90   2.997   5.199  -7.718
  688   1HB   SER  90           HB2      SER  90   5.116   5.965  -8.701
  689   2HB   SER  90           HB1      SER  90   4.758   4.313  -9.206
  690    HG   SER  90           HG       SER  90   4.843   6.664 -10.658
  691    H    GLY  91           HN       GLY  91   3.657   7.407  -7.214
  692   1HA   GLY  91           HA2      GLY  91   3.706   9.782  -8.060
  693   2HA   GLY  91           HA1      GLY  91   2.141   9.466  -8.801
  694    H    ALA  92           HN       ALA  92   3.005  11.381  -6.586
  695    HA   ALA  92           HA       ALA  92   1.685  10.336  -4.201
  696   1HB   ALA  92           HB1      ALA  92   2.648  13.099  -4.982
  697   2HB   ALA  92           HB3      ALA  92   1.939  12.727  -3.414
  698   3HB   ALA  92           HB2      ALA  92   3.448  11.956  -3.908
  699    H    ASN  93           HN       ASN  93  -0.287   9.818  -5.740
  700    HA   ASN  93           HA       ASN  93  -2.171  12.159  -5.665
  701   1HB   ASN  93           HB2      ASN  93  -1.613  11.268  -7.971
  702   2HB   ASN  93           HB1      ASN  93  -2.377   9.753  -7.489
  703   1HD2  ASN  93          HD22      ASN  93  -5.265  12.445  -6.920
  704   2HD2  ASN  93          HD21      ASN  93  -3.983  12.191  -5.837
  705    H    LYS  94           HN       LYS  94  -3.029  11.767  -3.635
  706    HA   LYS  94           HA       LYS  94  -3.731   9.143  -2.657
  707   1HB   LYS  94           HB2      LYS  94  -4.990  10.450  -0.940
  708   2HB   LYS  94           HB1      LYS  94  -3.295  10.888  -1.095
  709   1HG   LYS  94           HG2      LYS  94  -5.001  12.480  -2.900
  710   2HG   LYS  94           HG1      LYS  94  -5.493  12.663  -1.222
  711   1HD   LYS  94           HD2      LYS  94  -3.037  13.107  -0.679
  712   2HD   LYS  94           HD1      LYS  94  -2.762  13.202  -2.420
  713   1HE   LYS  94           HE2      LYS  94  -4.415  15.022  -2.577
  714   2HE   LYS  94           HE1      LYS  94  -4.709  14.905  -0.840
  715   1HZ   LYS  94           HZ1      LYS  94  -2.001  15.381  -1.940
  716   2HZ   LYS  94           HZ3      LYS  94  -3.067  16.660  -1.612
  717   3HZ   LYS  94           HZ2      LYS  94  -2.557  15.638  -0.355
  718    H    GLU  95           HN       GLU  95  -5.560  11.619  -4.436
  719    HA   GLU  95           HA       GLU  95  -8.154  10.502  -4.000
  720   1HB   GLU  95           HB2      GLU  95  -7.089  12.072  -6.366
  721   2HB   GLU  95           HB1      GLU  95  -8.791  11.764  -6.039
  722   1HG   GLU  95           HG2      GLU  95  -6.945  13.155  -4.087
  723   2HG   GLU  95           HG1      GLU  95  -7.985  14.010  -5.229
  724    H    LYS  96           HN       LYS  96  -5.557   9.726  -6.170
  725    HA   LYS  96           HA       LYS  96  -6.930   8.143  -8.079
  726   1HB   LYS  96           HB2      LYS  96  -4.554   8.967  -8.125
  727   2HB   LYS  96           HB1      LYS  96  -4.145   7.692  -6.998
  728   1HG   LYS  96           HG2      LYS  96  -4.617   5.983  -8.540
  729   2HG   LYS  96           HG1      LYS  96  -5.540   7.053  -9.593
  730   1HD   LYS  96           HD2      LYS  96  -2.626   7.654  -9.084
  731   2HD   LYS  96           HD1      LYS  96  -3.055   6.385 -10.234
  732   1HE   LYS  96           HE2      LYS  96  -4.191   9.190 -10.377
  733   2HE   LYS  96           HE1      LYS  96  -2.749   8.683 -11.251
  734   1HZ   LYS  96           HZ3      LYS  96  -4.132   6.857 -12.198
  735   2HZ   LYS  96           HZ2      LYS  96  -5.495   7.610 -11.520
  736   3HZ   LYS  96           HZ1      LYS  96  -4.574   8.415 -12.699
  737    H    LEU  97           HN       LEU  97  -5.648   7.364  -4.877
  738    HA   LEU  97           HA       LEU  97  -5.940   4.543  -4.926
  739   1HB   LEU  97           HB2      LEU  97  -6.265   6.603  -2.734
  740   2HB   LEU  97           HB1      LEU  97  -6.412   4.885  -2.406
  741    HG   LEU  97           HG       LEU  97  -3.986   6.171  -3.669
  742   1HD1  LEU  97          HD13      LEU  97  -4.679   5.512  -0.802
  743   2HD1  LEU  97          HD12      LEU  97  -3.007   5.660  -1.341
  744   3HD1  LEU  97          HD11      LEU  97  -4.098   7.043  -1.461
  745   1HD2  LEU  97          HD23      LEU  97  -4.690   3.379  -2.739
  746   2HD2  LEU  97          HD22      LEU  97  -3.899   3.873  -4.235
  747   3HD2  LEU  97          HD21      LEU  97  -3.015   3.914  -2.721
  748    H    GLU  98           HN       GLU  98  -8.190   7.135  -4.250
  749    HA   GLU  98           HA       GLU  98 -10.371   5.540  -3.364
  750   1HB   GLU  98           HB2      GLU  98 -10.239   8.008  -3.146
  751   2HB   GLU  98           HB1      GLU  98 -10.480   8.159  -4.884
  752   1HG   GLU  98           HG2      GLU  98 -12.445   6.668  -3.143
  753   2HG   GLU  98           HG1      GLU  98 -12.557   8.410  -3.373
  754    H    ALA  99           HN       ALA  99  -9.531   6.624  -6.655
  755    HA   ALA  99           HA       ALA  99 -11.879   5.488  -7.850
  756   1HB   ALA  99           HB3      ALA  99 -10.458   7.249  -8.904
  757   2HB   ALA  99           HB2      ALA  99  -9.211   6.033  -9.176
  758   3HB   ALA  99           HB1      ALA  99 -10.775   5.886  -9.977
  759    H    THR 100           HN       THR 100  -8.567   4.180  -7.514
  760    HA   THR 100           HA       THR 100  -9.108   1.798  -9.012
  761    HB   THR 100           HB       THR 100  -7.117   2.069  -6.744
  762    HG1  THR 100           HG1      THR 100  -7.297   3.297  -9.174
  763   1HG2  THR 100          HG23      THR 100  -7.293   0.351  -9.233
  764   2HG2  THR 100          HG22      THR 100  -5.838   0.487  -8.246
  765   3HG2  THR 100          HG21      THR 100  -7.314  -0.194  -7.557
  766    H    ILE 101           HN       ILE 101  -9.406   2.552  -5.558
  767    HA   ILE 101           HA       ILE 101 -10.048  -0.081  -4.633
  768    HB   ILE 101           HB       ILE 101 -10.882   2.668  -3.634
  769   1HG1  ILE 101          HG12      ILE 101  -8.902   0.728  -2.416
  770   2HG1  ILE 101          HG11      ILE 101  -8.416   1.917  -3.621
  771   1HG2  ILE 101          HG22      ILE 101 -11.262  -0.077  -2.396
  772   2HG2  ILE 101          HG21      ILE 101 -11.372   1.425  -1.478
  773   3HG2  ILE 101          HG23      ILE 101 -12.514   1.105  -2.781
  774   1HD1  ILE 101          HD13      ILE 101  -9.411   3.710  -2.153
  775   2HD1  ILE 101          HD12      ILE 101  -9.677   2.477  -0.919
  776   3HD1  ILE 101          HD11      ILE 101  -8.036   2.878  -1.426
  777    H    ASN 102           HN       ASN 102 -12.104   2.632  -5.644
  778    HA   ASN 102           HA       ASN 102 -14.605   1.294  -5.434
  779   1HB   ASN 102           HB2      ASN 102 -14.358   3.750  -5.730
  780   2HB   ASN 102           HB1      ASN 102 -13.790   3.477  -7.380
  781   1HD2  ASN 102          HD22      ASN 102 -17.732   3.575  -6.683
  782   2HD2  ASN 102          HD21      ASN 102 -16.569   4.099  -5.563
  783    H    GLU 103           HN       GLU 103 -12.186   1.446  -7.963
  784    HA   GLU 103           HA       GLU 103 -13.708   0.195 -10.042
  785   1HB   GLU 103           HB2      GLU 103 -11.526   1.497 -10.248
  786   2HB   GLU 103           HB1      GLU 103 -10.714   0.067  -9.621
  787   1HG   GLU 103           HG2      GLU 103 -11.787  -1.272 -11.474
  788   2HG   GLU 103           HG1      GLU 103 -12.332   0.255 -12.170
  789    H    LEU 104           HN       LEU 104 -11.521  -1.095  -7.537
  790    HA   LEU 104           HA       LEU 104 -12.111  -3.870  -8.462
  791   1HB   LEU 104           HB2      LEU 104 -10.110  -2.839  -6.440
  792   2HB   LEU 104           HB1      LEU 104 -10.265  -4.516  -6.956
  793    HG   LEU 104           HG       LEU 104  -9.636  -2.186  -8.792
  794   1HD1  LEU 104          HD13      LEU 104  -7.890  -4.242  -7.433
  795   2HD1  LEU 104          HD12      LEU 104  -7.366  -3.361  -8.870
  796   3HD1  LEU 104          HD11      LEU 104  -7.747  -2.486  -7.389
  797   1HD2  LEU 104          HD21      LEU 104 -10.029  -5.150  -9.200
  798   2HD2  LEU 104          HD23      LEU 104 -10.564  -3.806 -10.210
  799   3HD2  LEU 104          HD22      LEU 104  -8.872  -4.297 -10.220
  800    H    VAL 105           HN       VAL 105 -13.552  -1.751  -6.335
  801    HA   VAL 105           HA       VAL 105 -13.765  -3.420  -3.982
  802    HB   VAL 105           HB       VAL 105 -14.345  -0.929  -4.113
  803   1HG1  VAL 105          HG13      VAL 105 -15.911  -1.425  -6.167
  804   2HG1  VAL 105          HG12      VAL 105 -17.103  -1.819  -4.930
  805   3HG1  VAL 105          HG11      VAL 105 -16.392  -0.205  -4.988
  806   1HG2  VAL 105          HG22      VAL 105 -16.329  -2.863  -2.886
  807   2HG2  VAL 105          HG21      VAL 105 -14.838  -2.290  -2.142
  808   3HG2  VAL 105          HG23      VAL 105 -16.167  -1.166  -2.432
  809    HA   PRO  59           HA       PRO 106  14.784  15.838 -13.207
  810   1HB   PRO  59           HB2      PRO 106  17.184  15.917 -11.405
  811   2HB   PRO  59           HB1      PRO 106  17.010  15.199 -13.021
  812   1HG   PRO  59           HG2      PRO 106  18.300  17.494 -12.688
  813   2HG   PRO  59           HG1      PRO 106  17.251  17.235 -14.095
  814   1HD   PRO  59           HD2      PRO 106  16.731  18.874 -11.637
  815   2HD   PRO  59           HD1      PRO 106  16.226  19.170 -13.317
  816    H    ALA  60           HN       ALA 107  15.048  17.174  -9.958
  817    HA   ALA  60           HA       ALA 107  14.133  14.606  -8.755
  818   1HB   ALA  60           HB2      ALA 107  15.099  17.216  -7.552
  819   2HB   ALA  60           HB1      ALA 107  14.504  15.859  -6.595
  820   3HB   ALA  60           HB3      ALA 107  15.957  15.676  -7.577
  821    H    THR  61           HN       THR 108  11.982  14.333  -8.544
  822    HA   THR  61           HA       THR 108  10.201  16.743  -8.462
  823    HB   THR  61           HB       THR 108   9.414  13.848  -8.926
  824    HG1  THR  61           HG1      THR 108   9.600  15.734 -10.972
  825   1HG2  THR  61          HG21      THR 108   7.721  15.664  -8.224
  826   2HG2  THR  61          HG23      THR 108   8.019  16.369  -9.812
  827   3HG2  THR  61          HG22      THR 108   7.355  14.741  -9.684
  828    H    LEU  62           HN       LEU 109   9.168  17.201  -6.574
  829    HA   LEU  62           HA       LEU 109   9.725  15.739  -4.171
  830   1HB   LEU  62           HB2      LEU 109   7.635  17.838  -4.824
  831   2HB   LEU  62           HB1      LEU 109   7.881  17.197  -3.203
  832    HG   LEU  62           HG       LEU 109  10.192  18.355  -4.771
  833   1HD1  LEU  62          HD12      LEU 109   8.195  19.849  -3.041
  834   2HD1  LEU  62          HD11      LEU 109   9.758  20.502  -3.537
  835   3HD1  LEU  62          HD13      LEU 109   8.533  20.129  -4.750
  836   1HD2  LEU  62          HD23      LEU 109   9.584  17.899  -1.831
  837   2HD2  LEU  62          HD22      LEU 109  10.877  17.179  -2.789
  838   3HD2  LEU  62          HD21      LEU 109  10.932  18.892  -2.383
  839    H    LYS  63           HN       LYS 110   7.125  15.605  -6.522
  840    HA   LYS  63           HA       LYS 110   5.240  14.119  -4.976
  841   1HB   LYS  63           HB2      LYS 110   5.731  14.060  -7.966
  842   2HB   LYS  63           HB1      LYS 110   4.279  13.473  -7.159
  843   1HG   LYS  63           HG2      LYS 110   5.226  16.317  -6.792
  844   2HG   LYS  63           HG1      LYS 110   4.220  15.862  -8.165
  845   1HD   LYS  63           HD2      LYS 110   2.550  14.907  -6.531
  846   2HD   LYS  63           HD1      LYS 110   3.517  15.594  -5.225
  847   1HE   LYS  63           HE2      LYS 110   3.222  17.838  -6.131
  848   2HE   LYS  63           HE1      LYS 110   2.340  17.188  -7.514
  849   1HZ   LYS  63           HZ3      LYS 110   1.447  16.626  -4.762
  850   2HZ   LYS  63           HZ2      LYS 110   1.019  18.083  -5.525
  851   3HZ   LYS  63           HZ1      LYS 110   0.549  16.595  -6.200
  852    H    ILE  64           HN       ILE 111   8.220  13.172  -6.461
  853    HA   ILE  64           HA       ILE 111   7.664  10.304  -5.732
  854    HB   ILE  64           HB       ILE 111   9.128  11.395  -8.166
  855   1HG1  ILE  64          HG12      ILE 111   6.684  11.331  -8.401
  856   2HG1  ILE  64          HG11      ILE 111   7.429  10.107  -9.424
  857   1HG2  ILE  64          HG22      ILE 111   8.978   8.609  -7.018
  858   2HG2  ILE  64          HG21      ILE 111   9.341   8.905  -8.721
  859   3HG2  ILE  64          HG23      ILE 111  10.416   9.528  -7.468
  860   1HD1  ILE  64          HD13      ILE 111   7.024   8.602  -7.216
  861   2HD1  ILE  64          HD12      ILE 111   5.744   9.781  -6.991
  862   3HD1  ILE  64          HD11      ILE 111   5.790   8.806  -8.454
  863    H    CYS  65           HN       CYS 112   9.379   9.302  -4.592
  864    HA   CYS  65           HA       CYS 112  11.732  11.034  -3.962
  865   1HB   CYS  65           HB2      CYS 112  11.025   8.450  -2.549
  866   2HB   CYS  65           HB1      CYS 112  12.066   9.738  -1.982
  867    H    SER  66           HN       SER 113  13.739  10.408  -4.774
  868    HA   SER  66           HA       SER 113  13.770   8.148  -6.651
  869   1HB   SER  66           HB2      SER 113  15.961  10.075  -5.829
  870   2HB   SER  66           HB1      SER 113  16.051   8.936  -7.169
  871    HG   SER  66           HG       SER 113  14.224  10.002  -8.064
  872    H    TRP  67           HN       TRP 114  14.871   6.216  -6.397
  873    HA   TRP  67           HA       TRP 114  15.570   5.378  -3.704
  874   1HB   TRP  67           HB2      TRP 114  15.846   4.008  -6.394
  875   2HB   TRP  67           HB1      TRP 114  16.304   3.250  -4.868
  876    HD1  TRP  67           HD1      TRP 114  13.209   5.270  -6.020
  877    HE1  TRP  67           HE1      TRP 114  11.104   4.029  -5.218
  878    HE3  TRP  67           HE3      TRP 114  15.349   1.243  -3.750
  879    HZ2  TRP  67           HZ2      TRP 114  10.436   1.675  -3.783
  880    HZ3  TRP  67           HZ3      TRP 114  13.956  -0.483  -2.674
  881    HH2  TRP  67           HH2      TRP 114  11.491  -0.275  -2.698
  882    H    ASN  68           HN       ASN 115  17.257   7.108  -6.051
  883    HA   ASN  68           HA       ASN 115  19.880   6.056  -5.924
  884   1HB   ASN  68           HB2      ASN 115  18.913   8.926  -6.102
  885   2HB   ASN  68           HB1      ASN 115  20.608   8.460  -6.279
  886   1HD2  ASN  68          HD22      ASN 115  18.733   6.357  -9.119
  887   2HD2  ASN  68          HD21      ASN 115  18.734   5.925  -7.477
  888    H    VAL  69           HN       VAL 116  17.947   7.303  -3.417
  889    HA   VAL  69           HA       VAL 116  19.893   8.555  -1.756
  890    HB   VAL  69           HB       VAL 116  18.366   7.876   0.138
  891   1HG1  VAL  69          HG13      VAL 116  18.054   9.929  -1.315
  892   2HG1  VAL  69          HG12      VAL 116  16.885   9.000  -2.254
  893   3HG1  VAL  69          HG11      VAL 116  16.582   9.335  -0.549
  894   1HG2  VAL  69          HG23      VAL 116  16.841   6.560  -2.139
  895   2HG2  VAL  69          HG22      VAL 116  17.595   5.725  -0.785
  896   3HG2  VAL  69          HG21      VAL 116  16.219   6.788  -0.508
  897    H    ASP  70           HN       ASP 117  21.412   7.718  -0.340
  898    HA   ASP  70           HA       ASP 117  22.446   5.110  -0.820
  899   1HB   ASP  70           HB2      ASP 117  22.817   7.053   1.474
  900   2HB   ASP  70           HB1      ASP 117  23.674   5.510   1.393
  901    H    GLY  71           HN       GLY 118  20.252   6.339   1.686
  902   1HA   GLY  71           HA2      GLY 118  18.678   5.128   2.960
  903   2HA   GLY  71           HA1      GLY 118  19.120   3.684   2.046
   
  No H/Q in entry =         903
  Start of MODEL    3
    1   1H    MET   1           HT3      MET   1  -8.817  -1.705   7.748
    2   2H    MET   1           HT2      MET   1  -8.475  -3.102   8.654
    3   3H    MET   1           HT1      MET   1  -9.786  -2.109   9.081
    4    HA   MET   1           HA       MET   1  -8.362  -0.356   9.771
    5   1HB   MET   1           HB2      MET   1  -7.347  -3.054  10.731
    6   2HB   MET   1           HB1      MET   1  -7.059  -1.518  11.548
    7   1HG   MET   1           HG2      MET   1  -9.801  -2.678  10.978
    8   2HG   MET   1           HG1      MET   1  -8.974  -2.779  12.532
    9   1HE   MET   1           HE2      MET   1  -7.877  -0.617  13.602
   10   2HE   MET   1           HE1      MET   1  -9.087   0.562  14.098
   11   3HE   MET   1           HE3      MET   1  -9.371  -1.166  14.358
   12    H    VAL   2           HN       VAL   2  -5.817  -0.255  10.523
   13    HA   VAL   2           HA       VAL   2  -4.292  -0.382   7.956
   14    HB   VAL   2           HB       VAL   2  -3.837   1.111  10.558
   15   1HG1  VAL   2          HG11      VAL   2  -2.101   0.768   8.109
   16   2HG1  VAL   2          HG13      VAL   2  -1.993   2.221   9.102
   17   3HG1  VAL   2          HG12      VAL   2  -1.645   0.644   9.808
   18   1HG2  VAL   2          HG23      VAL   2  -5.611   1.834   8.817
   19   2HG2  VAL   2          HG22      VAL   2  -4.436   3.042   9.317
   20   3HG2  VAL   2          HG21      VAL   2  -4.246   2.220   7.773
   21    H    LYS   3           HN       LYS   3  -2.498  -1.730   7.765
   22    HA   LYS   3           HA       LYS   3  -1.533  -3.164  10.214
   23   1HB   LYS   3           HB2      LYS   3  -3.066  -4.588   8.817
   24   2HB   LYS   3           HB1      LYS   3  -1.966  -4.372   7.461
   25   1HG   LYS   3           HG2      LYS   3  -1.248  -6.419   8.338
   26   2HG   LYS   3           HG1      LYS   3  -0.149  -5.294   9.126
   27   1HD   LYS   3           HD2      LYS   3  -1.600  -5.269  11.125
   28   2HD   LYS   3           HD1      LYS   3  -2.710  -6.382  10.327
   29   1HE   LYS   3           HE2      LYS   3  -0.920  -8.070  10.180
   30   2HE   LYS   3           HE1      LYS   3   0.198  -6.956  10.967
   31   1HZ   LYS   3           HZ1      LYS   3  -2.107  -7.109  12.531
   32   2HZ   LYS   3           HZ3      LYS   3  -1.649  -8.698  12.155
   33   3HZ   LYS   3           HZ2      LYS   3  -0.544  -7.655  12.911
   34    H    GLN   4           HN       GLN   4   0.674  -3.041  10.400
   35    HA   GLN   4           HA       GLN   4   2.213  -1.935   8.089
   36   1HB   GLN   4           HB2      GLN   4   2.431  -0.814  10.305
   37   2HB   GLN   4           HB1      GLN   4   3.035  -2.322  10.986
   38   1HG   GLN   4           HG2      GLN   4   4.931  -2.282   9.377
   39   2HG   GLN   4           HG1      GLN   4   4.334  -0.748   8.738
   40   1HE2  GLN   4          HE22      GLN   4   6.483   0.772  11.112
   41   2HE2  GLN   4          HE21      GLN   4   6.180   0.489   9.465
   42    H    ILE   5           HN       ILE   5   3.398  -3.342   6.890
   43    HA   ILE   5           HA       ILE   5   4.001  -6.055   8.008
   44    HB   ILE   5           HB       ILE   5   4.277  -5.104   5.154
   45   1HG1  ILE   5          HG12      ILE   5   1.945  -4.824   5.738
   46   2HG1  ILE   5          HG11      ILE   5   2.094  -6.311   4.805
   47   1HG2  ILE   5          HG23      ILE   5   4.109  -7.824   6.463
   48   2HG2  ILE   5          HG22      ILE   5   4.115  -7.537   4.732
   49   3HG2  ILE   5          HG21      ILE   5   5.526  -7.111   5.689
   50   1HD1  ILE   5          HD12      ILE   5   2.326  -7.489   7.110
   51   2HD1  ILE   5          HD11      ILE   5   1.664  -5.995   7.771
   52   3HD1  ILE   5          HD13      ILE   5   0.726  -6.942   6.618
   53    H    GLU   6           HN       GLU   6   6.032  -6.160   8.885
   54    HA   GLU   6           HA       GLU   6   8.151  -4.354   7.828
   55   1HB   GLU   6           HB2      GLU   6   8.128  -6.152  10.265
   56   2HB   GLU   6           HB1      GLU   6   9.408  -5.017   9.832
   57   1HG   GLU   6           HG2      GLU   6   6.543  -4.151  10.239
   58   2HG   GLU   6           HG1      GLU   6   7.723  -4.172  11.548
   59    H    SER   7           HN       SER   7   7.029  -7.412   7.147
   60    HA   SER   7           HA       SER   7   9.646  -8.132   5.962
   61   1HB   SER   7           HB2      SER   7   9.641 -10.387   6.978
   62   2HB   SER   7           HB1      SER   7   9.763  -9.127   8.209
   63    HG   SER   7           HG       SER   7   7.993  -9.908   9.006
   64    H    LYS   8           HN       LYS   8   9.476  -9.773   4.325
   65    HA   LYS   8           HA       LYS   8   7.011  -9.773   2.847
   66   1HB   LYS   8           HB2      LYS   8   9.333 -10.225   1.895
   67   2HB   LYS   8           HB1      LYS   8   9.218 -11.831   2.613
   68   1HG   LYS   8           HG2      LYS   8   6.976 -12.046   1.366
   69   2HG   LYS   8           HG1      LYS   8   7.491 -10.629   0.451
   70   1HD   LYS   8           HD2      LYS   8   9.138 -13.163   0.701
   71   2HD   LYS   8           HD1      LYS   8   8.063 -12.817  -0.653
   72   1HE   LYS   8           HE2      LYS   8   9.352 -10.655  -0.982
   73   2HE   LYS   8           HE1      LYS   8  10.523 -11.269   0.185
   74   1HZ   LYS   8           HZ2      LYS   8   9.745 -13.020  -2.024
   75   2HZ   LYS   8           HZ1      LYS   8  10.778 -11.718  -2.376
   76   3HZ   LYS   8           HZ3      LYS   8  11.238 -12.878  -1.227
   77    H    THR   9           HN       THR   9   8.421 -11.898   5.257
   78    HA   THR   9           HA       THR   9   6.750 -14.150   4.884
   79    HB   THR   9           HB       THR   9   7.720 -13.066   7.542
   80    HG1  THR   9           HG1      THR   9   9.503 -13.308   6.308
   81   1HG2  THR   9          HG23      THR   9   6.859 -15.801   6.581
   82   2HG2  THR   9          HG22      THR   9   7.730 -15.538   8.091
   83   3HG2  THR   9          HG21      THR   9   6.127 -14.838   7.862
   84    H    ALA  10           HN       ALA  10   6.243 -11.272   6.919
   85    HA   ALA  10           HA       ALA  10   3.574 -12.056   7.706
   86   1HB   ALA  10           HB2      ALA  10   5.120  -9.461   7.790
   87   2HB   ALA  10           HB1      ALA  10   3.412  -9.506   8.228
   88   3HB   ALA  10           HB3      ALA  10   4.579 -10.462   9.137
   89    H    PHE  11           HN       PHE  11   4.922 -10.301   4.977
   90    HA   PHE  11           HA       PHE  11   2.546  -9.067   4.003
   91   1HB   PHE  11           HB2      PHE  11   4.926  -8.794   3.103
   92   2HB   PHE  11           HB1      PHE  11   4.726 -10.341   2.310
   93    HD1  PHE  11           HD1      PHE  11   2.865  -7.095   2.694
   94    HD2  PHE  11           HD2      PHE  11   3.981 -10.335   0.099
   95    HE1  PHE  11           HE1      PHE  11   1.726  -5.977   0.800
   96    HE2  PHE  11           HE2      PHE  11   2.833  -9.215  -1.791
   97    HZ   PHE  11           HZ       PHE  11   1.702  -7.038  -1.441
   98    H    GLN  12           HN       GLN  12   3.913 -12.296   3.433
   99    HA   GLN  12           HA       GLN  12   1.852 -13.190   1.640
  100   1HB   GLN  12           HB2      GLN  12   3.648 -14.747   3.540
  101   2HB   GLN  12           HB1      GLN  12   2.700 -15.461   2.234
  102   1HG   GLN  12           HG2      GLN  12   4.839 -13.344   1.868
  103   2HG   GLN  12           HG1      GLN  12   5.065 -15.069   1.571
  104   1HE2  GLN  12          HE22      GLN  12   3.543 -12.853  -1.360
  105   2HE2  GLN  12          HE21      GLN  12   4.397 -12.233  -0.031
  106    H    GLU  13           HN       GLU  13   2.266 -13.371   5.158
  107    HA   GLU  13           HA       GLU  13  -0.091 -14.920   5.689
  108   1HB   GLU  13           HB2      GLU  13   1.434 -12.942   7.415
  109   2HB   GLU  13           HB1      GLU  13   0.184 -14.018   8.021
  110   1HG   GLU  13           HG2      GLU  13   2.717 -14.928   6.627
  111   2HG   GLU  13           HG1      GLU  13   2.470 -14.938   8.371
  112    H    ALA  14           HN       ALA  14   0.467 -11.442   5.392
  113    HA   ALA  14           HA       ALA  14  -2.139 -10.653   6.315
  114   1HB   ALA  14           HB1      ALA  14  -0.042  -9.185   6.010
  115   2HB   ALA  14           HB3      ALA  14  -0.481  -9.122   4.302
  116   3HB   ALA  14           HB2      ALA  14  -1.584  -8.483   5.521
  117    H    LEU  15           HN       LEU  15  -0.797 -11.339   3.096
  118    HA   LEU  15           HA       LEU  15  -3.116 -10.646   1.604
  119   1HB   LEU  15           HB2      LEU  15  -0.925 -12.678   1.113
  120   2HB   LEU  15           HB1      LEU  15  -2.163 -12.300  -0.080
  121    HG   LEU  15           HG       LEU  15  -0.444 -10.159   1.190
  122   1HD1  LEU  15          HD12      LEU  15   0.135 -11.942  -1.171
  123   2HD1  LEU  15          HD11      LEU  15   0.800 -10.314  -1.087
  124   3HD1  LEU  15          HD13      LEU  15   1.196 -11.492   0.165
  125   1HD2  LEU  15          HD22      LEU  15  -2.332 -10.309  -1.161
  126   2HD2  LEU  15          HD21      LEU  15  -2.237  -9.099   0.115
  127   3HD2  LEU  15          HD23      LEU  15  -1.028  -9.125  -1.165
  128    H    ASP  16           HN       ASP  16  -2.120 -13.640   3.201
  129    HA   ASP  16           HA       ASP  16  -4.369 -15.185   2.295
  130   1HB   ASP  16           HB2      ASP  16  -2.177 -16.093   3.209
  131   2HB   ASP  16           HB1      ASP  16  -2.770 -15.666   4.817
  132    H    ALA  17           HN       ALA  17  -3.754 -13.239   5.203
  133    HA   ALA  17           HA       ALA  17  -6.148 -14.045   6.580
  134   1HB   ALA  17           HB2      ALA  17  -4.238 -12.962   7.729
  135   2HB   ALA  17           HB1      ALA  17  -4.575 -11.467   6.857
  136   3HB   ALA  17           HB3      ALA  17  -5.746 -12.095   8.016
  137    H    ALA  18           HN       ALA  18  -5.433 -11.417   4.322
  138    HA   ALA  18           HA       ALA  18  -7.872  -9.987   4.632
  139   1HB   ALA  18           HB1      ALA  18  -6.022 -10.335   2.268
  140   2HB   ALA  18           HB3      ALA  18  -7.427  -9.272   2.227
  141   3HB   ALA  18           HB2      ALA  18  -6.120  -8.960   3.369
  142    H    GLY  19           HN       GLY  19  -7.090 -12.923   2.870
  143   1HA   GLY  19           HA2      GLY  19  -8.509 -14.500   1.870
  144   2HA   GLY  19           HA1      GLY  19  -9.845 -13.709   2.707
  145    H    ASP  20           HN       ASP  20 -11.357 -13.148   1.227
  146    HA   ASP  20           HA       ASP  20 -10.565 -12.452  -1.530
  147   1HB   ASP  20           HB2      ASP  20 -13.297 -12.700  -0.240
  148   2HB   ASP  20           HB1      ASP  20 -12.995 -12.459  -1.962
  149    H    LYS  21           HN       LYS  21 -10.749 -10.697   1.269
  150    HA   LYS  21           HA       LYS  21 -12.253  -8.390   0.340
  151   1HB   LYS  21           HB2      LYS  21 -10.207  -8.726   2.557
  152   2HB   LYS  21           HB1      LYS  21 -11.071  -7.220   2.250
  153   1HG   LYS  21           HG2      LYS  21 -13.224  -8.671   2.420
  154   2HG   LYS  21           HG1      LYS  21 -12.178  -9.868   3.183
  155   1HD   LYS  21           HD2      LYS  21 -11.422  -7.927   4.726
  156   2HD   LYS  21           HD1      LYS  21 -12.850  -7.080   4.131
  157   1HE   LYS  21           HE2      LYS  21 -14.162  -9.201   4.776
  158   2HE   LYS  21           HE1      LYS  21 -12.724  -9.665   5.687
  159   1HZ   LYS  21           HZ1      LYS  21 -12.938  -7.273   6.624
  160   2HZ   LYS  21           HZ3      LYS  21 -14.554  -7.407   6.127
  161   3HZ   LYS  21           HZ2      LYS  21 -13.916  -8.514   7.248
  162    H    LEU  22           HN       LEU  22 -11.382  -6.383  -0.430
  163    HA   LEU  22           HA       LEU  22  -9.200  -6.606  -2.233
  164   1HB   LEU  22           HB2      LEU  22 -11.193  -4.758  -1.755
  165   2HB   LEU  22           HB1      LEU  22  -9.784  -3.899  -1.159
  166    HG   LEU  22           HG       LEU  22 -10.177  -5.024  -3.935
  167   1HD1  LEU  22          HD12      LEU  22 -10.562  -2.369  -2.692
  168   2HD1  LEU  22          HD11      LEU  22  -9.524  -2.312  -4.111
  169   3HD1  LEU  22          HD13      LEU  22 -11.145  -2.988  -4.231
  170   1HD2  LEU  22          HD22      LEU  22  -7.738  -3.894  -2.559
  171   2HD2  LEU  22          HD21      LEU  22  -7.860  -5.336  -3.568
  172   3HD2  LEU  22          HD23      LEU  22  -7.932  -3.736  -4.299
  173    H    VAL  23           HN       VAL  23  -7.042  -5.577  -2.003
  174    HA   VAL  23           HA       VAL  23  -6.182  -4.999   0.779
  175    HB   VAL  23           HB       VAL  23  -4.848  -7.033  -1.036
  176   1HG1  VAL  23          HG12      VAL  23  -4.125  -5.830   1.638
  177   2HG1  VAL  23          HG11      VAL  23  -3.467  -7.376   1.106
  178   3HG1  VAL  23          HG13      VAL  23  -3.139  -5.911   0.181
  179   1HG2  VAL  23          HG23      VAL  23  -6.404  -7.296   1.548
  180   2HG2  VAL  23          HG22      VAL  23  -6.822  -7.991  -0.019
  181   3HG2  VAL  23          HG21      VAL  23  -5.416  -8.585   0.863
  182    H    VAL  24           HN       VAL  24  -5.370  -2.993   0.528
  183    HA   VAL  24           HA       VAL  24  -3.881  -2.327  -1.964
  184    HB   VAL  24           HB       VAL  24  -4.757  -0.484   0.287
  185   1HG1  VAL  24          HG13      VAL  24  -2.884   0.226  -1.294
  186   2HG1  VAL  24          HG12      VAL  24  -4.076   0.162  -2.592
  187   3HG1  VAL  24          HG11      VAL  24  -4.289   1.291  -1.255
  188   1HG2  VAL  24          HG22      VAL  24  -6.135  -1.333  -2.266
  189   2HG2  VAL  24          HG21      VAL  24  -6.767  -1.388  -0.623
  190   3HG2  VAL  24          HG23      VAL  24  -6.545   0.163  -1.428
  191    H    VAL  25           HN       VAL  25  -1.677  -1.805  -1.856
  192    HA   VAL  25           HA       VAL  25  -0.382  -2.000   0.854
  193    HB   VAL  25           HB       VAL  25   0.763  -2.974  -1.778
  194   1HG1  VAL  25          HG11      VAL  25   2.403  -2.263  -0.051
  195   2HG1  VAL  25          HG13      VAL  25   1.649  -3.386   1.081
  196   3HG1  VAL  25          HG12      VAL  25   2.466  -3.999  -0.355
  197   1HG2  VAL  25          HG22      VAL  25  -1.257  -4.276  -0.843
  198   2HG2  VAL  25          HG21      VAL  25   0.217  -5.196  -1.128
  199   3HG2  VAL  25          HG23      VAL  25  -0.208  -4.698   0.510
  200    H    ASP  26           HN       ASP  26   0.689  -0.181   1.371
  201    HA   ASP  26           HA       ASP  26   1.411   1.746  -0.811
  202   1HB   ASP  26           HB2      ASP  26  -0.022   2.543   1.087
  203   2HB   ASP  26           HB1      ASP  26   1.306   2.196   2.193
  204    H    PHE  27           HN       PHE  27   3.495   1.684  -1.441
  205    HA   PHE  27           HA       PHE  27   5.587   0.576   0.365
  206   1HB   PHE  27           HB2      PHE  27   5.474   1.192  -2.592
  207   2HB   PHE  27           HB1      PHE  27   7.005   0.857  -1.783
  208    HD1  PHE  27           HD1      PHE  27   7.357  -1.317  -0.636
  209    HD2  PHE  27           HD2      PHE  27   3.913  -0.565  -3.087
  210    HE1  PHE  27           HE1      PHE  27   6.947  -3.755  -0.799
  211    HE2  PHE  27           HE2      PHE  27   3.501  -3.007  -3.250
  212    HZ   PHE  27           HZ       PHE  27   5.019  -4.600  -2.107
  213    H    SER  28           HN       SER  28   4.334   3.385   0.575
  214    HA   SER  28           HA       SER  28   6.219   5.298  -0.321
  215   1HB   SER  28           HB2      SER  28   4.540   5.411   2.199
  216   2HB   SER  28           HB1      SER  28   5.329   6.780   1.421
  217    HG   SER  28           HG       SER  28   2.948   5.870   0.910
  218    H    ALA  29           HN       ALA  29   8.023   6.220   0.602
  219    HA   ALA  29           HA       ALA  29   9.491   4.493   2.466
  220   1HB   ALA  29           HB3      ALA  29  10.121   6.797   0.677
  221   2HB   ALA  29           HB2      ALA  29  11.109   6.677   2.132
  222   3HB   ALA  29           HB1      ALA  29  11.057   5.337   0.986
  223    H    THR  30           HN       THR  30   9.493   4.808   4.629
  224    HA   THR  30           HA       THR  30   7.910   6.898   5.817
  225    HB   THR  30           HB       THR  30   8.300   4.736   6.944
  226    HG1  THR  30           HG1      THR  30   9.219   7.101   8.156
  227   1HG2  THR  30          HG23      THR  30  10.668   4.531   6.057
  228   2HG2  THR  30          HG22      THR  30  11.158   5.655   7.325
  229   3HG2  THR  30          HG21      THR  30  10.465   4.090   7.751
  230    H    TRP  31           HN       TRP  31  11.304   6.514   4.994
  231    HA   TRP  31           HA       TRP  31  12.203   8.818   6.543
  232   1HB   TRP  31           HB2      TRP  31  14.302   8.531   5.299
  233   2HB   TRP  31           HB1      TRP  31  13.727   6.987   5.929
  234    HD1  TRP  31           HD1      TRP  31  12.988   5.164   4.228
  235    HE1  TRP  31           HE1      TRP  31  13.189   4.948   1.668
  236    HE3  TRP  31           HE3      TRP  31  14.136   9.982   3.044
  237    HZ2  TRP  31           HZ2      TRP  31  13.722   6.625  -0.589
  238    HZ3  TRP  31           HZ3      TRP  31  14.459  10.656   0.683
  239    HH2  TRP  31           HH2      TRP  31  14.254   8.984  -1.133
  240    H    CYS  32           HN       CYS  32  10.589   8.470   3.513
  241    HA   CYS  32           HA       CYS  32  11.659  11.002   2.431
  242   1HB   CYS  32           HB2      CYS  32  11.034   9.029   0.961
  243   2HB   CYS  32           HB1      CYS  32   9.351   9.327   1.378
  244    H    GLY  33           HN       GLY  33  10.863  12.907   3.062
  245   1HA   GLY  33           HA2      GLY  33   8.693  13.183   4.882
  246   2HA   GLY  33           HA1      GLY  33   9.472  14.506   4.031
  247    HA   PRO  34           HA       PRO  34   6.062  15.046   1.328
  248   1HB   PRO  34           HB2      PRO  34   6.865  14.085  -1.226
  249   2HB   PRO  34           HB1      PRO  34   7.038  15.732  -0.606
  250   1HG   PRO  34           HG2      PRO  34   9.101  13.665  -0.957
  251   2HG   PRO  34           HG1      PRO  34   9.295  15.405  -0.706
  252   1HD   PRO  34           HD2      PRO  34   9.807  13.383   1.200
  253   2HD   PRO  34           HD1      PRO  34   9.691  15.121   1.545
  254    H    ALA  35           HN       ALA  35   7.409  11.790   1.025
  255    HA   ALA  35           HA       ALA  35   4.914  10.652   0.023
  256   1HB   ALA  35           HB1      ALA  35   7.370   9.735  -0.193
  257   2HB   ALA  35           HB3      ALA  35   7.041   9.008   1.380
  258   3HB   ALA  35           HB2      ALA  35   6.034   8.600  -0.009
  259    H    LYS  36           HN       LYS  36   6.597  10.630   3.189
  260    HA   LYS  36           HA       LYS  36   4.596   9.171   4.610
  261   1HB   LYS  36           HB2      LYS  36   6.904   9.751   5.472
  262   2HB   LYS  36           HB1      LYS  36   6.313  11.389   5.751
  263   1HG   LYS  36           HG2      LYS  36   4.467  10.394   7.162
  264   2HG   LYS  36           HG1      LYS  36   5.283   8.836   7.018
  265   1HD   LYS  36           HD2      LYS  36   7.337   9.860   7.977
  266   2HD   LYS  36           HD1      LYS  36   6.454  11.370   8.197
  267   1HE   LYS  36           HE2      LYS  36   4.886  10.283   9.713
  268   2HE   LYS  36           HE1      LYS  36   5.647   8.717   9.425
  269   1HZ   LYS  36           HZ2      LYS  36   7.414  10.858  10.278
  270   2HZ   LYS  36           HZ1      LYS  36   6.305  10.312  11.444
  271   3HZ   LYS  36           HZ3      LYS  36   7.390   9.221  10.732
  272    H    MET  37           HN       MET  37   4.835  12.522   3.653
  273    HA   MET  37           HA       MET  37   2.855  13.653   5.345
  274   1HB   MET  37           HB2      MET  37   4.437  14.916   3.859
  275   2HB   MET  37           HB1      MET  37   3.472  14.414   2.474
  276   1HG   MET  37           HG2      MET  37   2.220  15.843   4.820
  277   2HG   MET  37           HG1      MET  37   2.969  16.735   3.497
  278   1HE   MET  37           HE3      MET  37   1.995  17.304   1.439
  279   2HE   MET  37           HE2      MET  37   2.407  15.696   0.852
  280   3HE   MET  37           HE1      MET  37   0.812  16.362   0.518
  281    H    ILE  38           HN       ILE  38   2.590  11.668   2.479
  282    HA   ILE  38           HA       ILE  38  -0.253  12.213   2.062
  283    HB   ILE  38           HB       ILE  38   1.251   9.858   0.898
  284   1HG1  ILE  38          HG12      ILE  38   1.263  12.706  -0.151
  285   2HG1  ILE  38          HG11      ILE  38   2.625  11.933   0.649
  286   1HG2  ILE  38          HG23      ILE  38  -1.027  11.631  -0.048
  287   2HG2  ILE  38          HG22      ILE  38  -0.265  10.393  -1.043
  288   3HG2  ILE  38          HG21      ILE  38  -1.131   9.936   0.417
  289   1HD1  ILE  38          HD13      ILE  38   2.412  10.087  -1.112
  290   2HD1  ILE  38          HD12      ILE  38   1.379  11.211  -1.988
  291   3HD1  ILE  38          HD11      ILE  38   3.056  11.637  -1.644
  292    H    LYS  39           HN       LYS  39   1.351  10.343   4.372
  293    HA   LYS  39           HA       LYS  39  -0.153   7.957   4.255
  294   1HB   LYS  39           HB2      LYS  39   0.619   7.375   6.378
  295   2HB   LYS  39           HB1      LYS  39   1.888   8.393   5.726
  296   1HG   LYS  39           HG2      LYS  39   1.388  10.178   7.165
  297   2HG   LYS  39           HG1      LYS  39  -0.249   9.617   7.493
  298   1HD   LYS  39           HD2      LYS  39   2.262   8.165   8.365
  299   2HD   LYS  39           HD1      LYS  39   1.343   9.262   9.392
  300   1HE   LYS  39           HE2      LYS  39   0.294   7.314  10.032
  301   2HE   LYS  39           HE1      LYS  39  -0.666   7.603   8.583
  302   1HZ   LYS  39           HZ2      LYS  39   1.846   6.226   8.154
  303   2HZ   LYS  39           HZ1      LYS  39   0.700   5.359   9.061
  304   3HZ   LYS  39           HZ3      LYS  39   0.307   5.912   7.504
  305    HA   PRO  40           HA       PRO  40  -3.340  10.052   7.306
  306   1HB   PRO  40           HB2      PRO  40  -3.762  12.548   5.726
  307   2HB   PRO  40           HB1      PRO  40  -3.720  12.321   7.486
  308   1HG   PRO  40           HG2      PRO  40  -1.693  13.521   6.222
  309   2HG   PRO  40           HG1      PRO  40  -1.388  12.410   7.568
  310   1HD   PRO  40           HD2      PRO  40  -1.104  11.920   4.630
  311   2HD   PRO  40           HD1      PRO  40  -0.042  11.379   5.948
  312    H    PHE  41           HN       PHE  41  -3.441  10.755   3.778
  313    HA   PHE  41           HA       PHE  41  -6.283  10.240   3.593
  314   1HB   PHE  41           HB2      PHE  41  -4.067  10.108   1.528
  315   2HB   PHE  41           HB1      PHE  41  -5.777   9.932   1.158
  316    HD1  PHE  41           HD2      PHE  41  -3.315  12.234   2.725
  317    HD2  PHE  41           HD1      PHE  41  -7.153  11.812   0.853
  318    HE1  PHE  41           HE2      PHE  41  -3.555  14.701   2.671
  319    HE2  PHE  41           HE1      PHE  41  -7.397  14.283   0.799
  320    HZ   PHE  41           HZ       PHE  41  -5.596  15.726   1.706
  321    H    PHE  42           HN       PHE  42  -3.405   8.294   2.848
  322    HA   PHE  42           HA       PHE  42  -4.756   5.882   2.150
  323   1HB   PHE  42           HB2      PHE  42  -2.371   6.303   1.688
  324   2HB   PHE  42           HB1      PHE  42  -2.026   6.328   3.418
  325    HD1  PHE  42           HD1      PHE  42  -3.162   4.173   0.607
  326    HD2  PHE  42           HD2      PHE  42  -1.783   4.316   4.673
  327    HE1  PHE  42           HE1      PHE  42  -2.913   1.708   0.609
  328    HE2  PHE  42           HE2      PHE  42  -1.534   1.850   4.673
  329    HZ   PHE  42           HZ       PHE  42  -2.106   0.548   2.641
  330    H    HIS  43           HN       HIS  43  -3.337   6.936   5.228
  331    HA   HIS  43           HA       HIS  43  -4.251   4.714   6.790
  332   1HB   HIS  43           HB2      HIS  43  -2.402   6.176   7.489
  333   2HB   HIS  43           HB1      HIS  43  -3.509   7.542   7.610
  334    HD1  HIS  43           HD1      HIS  43  -2.407   4.468   9.398
  335    HD2  HIS  43           HD2      HIS  43  -5.341   7.389   9.801
  336    HE1  HIS  43           HE1      HIS  43  -3.450   4.125  11.683
  337    H    SER  44           HN       SER  44  -5.624   7.979   6.292
  338    HA   SER  44           HA       SER  44  -7.794   7.649   8.107
  339   1HB   SER  44           HB2      SER  44  -7.642   9.390   5.634
  340   2HB   SER  44           HB1      SER  44  -8.872   9.513   6.888
  341    HG   SER  44           HG       SER  44  -7.251  10.003   8.373
  342    H    LEU  45           HN       LEU  45  -7.525   6.911   4.643
  343    HA   LEU  45           HA       LEU  45 -10.255   6.283   4.176
  344   1HB   LEU  45           HB2      LEU  45  -7.734   5.245   2.889
  345   2HB   LEU  45           HB1      LEU  45  -9.334   4.829   2.305
  346    HG   LEU  45           HG       LEU  45  -8.554   7.724   2.693
  347   1HD1  LEU  45          HD11      LEU  45  -6.832   6.697   1.244
  348   2HD1  LEU  45          HD13      LEU  45  -8.102   6.057   0.198
  349   3HD1  LEU  45          HD12      LEU  45  -7.863   7.799   0.332
  350   1HD2  LEU  45          HD22      LEU  45 -10.614   6.236   1.046
  351   2HD2  LEU  45          HD21      LEU  45 -10.882   7.451   2.296
  352   3HD2  LEU  45          HD23      LEU  45 -10.203   7.922   0.743
  353    H    SER  46           HN       SER  46  -7.782   4.463   5.830
  354    HA   SER  46           HA       SER  46  -8.722   1.838   5.520
  355   1HB   SER  46           HB2      SER  46  -7.714   3.123   8.083
  356   2HB   SER  46           HB1      SER  46  -7.798   1.393   7.773
  357    HG   SER  46           HG       SER  46  -6.019   1.545   6.674
  358    H    GLU  47           HN       GLU  47  -9.920   4.412   7.641
  359    HA   GLU  47           HA       GLU  47 -12.044   2.668   8.689
  360   1HB   GLU  47           HB2      GLU  47 -11.468   5.629   9.065
  361   2HB   GLU  47           HB1      GLU  47 -12.767   4.757   9.875
  362   1HG   GLU  47           HG2      GLU  47  -9.832   4.022  10.074
  363   2HG   GLU  47           HG1      GLU  47 -10.709   4.958  11.283
  364    H    LYS  48           HN       LYS  48 -11.598   4.718   5.941
  365    HA   LYS  48           HA       LYS  48 -14.424   5.423   5.663
  366   1HB   LYS  48           HB2      LYS  48 -12.580   6.767   4.587
  367   2HB   LYS  48           HB1      LYS  48 -12.297   5.404   3.502
  368   1HG   LYS  48           HG2      LYS  48 -14.664   5.529   2.754
  369   2HG   LYS  48           HG1      LYS  48 -14.893   6.944   3.780
  370   1HD   LYS  48           HD2      LYS  48 -13.125   8.131   2.527
  371   2HD   LYS  48           HD1      LYS  48 -12.924   6.720   1.489
  372   1HE   LYS  48           HE2      LYS  48 -15.287   6.913   0.783
  373   2HE   LYS  48           HE1      LYS  48 -15.460   8.349   1.792
  374   1HZ   LYS  48           HZ2      LYS  48 -13.240   8.864   0.320
  375   2HZ   LYS  48           HZ1      LYS  48 -14.251   8.070  -0.792
  376   3HZ   LYS  48           HZ3      LYS  48 -14.798   9.464   0.001
  377    H    TYR  49           HN       TYR  49 -12.205   2.980   4.474
  378    HA   TYR  49           HA       TYR  49 -14.563   1.400   3.463
  379   1HB   TYR  49           HB2      TYR  49 -11.706   1.450   2.407
  380   2HB   TYR  49           HB1      TYR  49 -12.965   0.342   1.860
  381    HD1  TYR  49           HD2      TYR  49 -15.182   1.416   1.019
  382    HD2  TYR  49           HD1      TYR  49 -11.473   3.555   1.355
  383    HE1  TYR  49           HE2      TYR  49 -16.028   3.132  -0.557
  384    HE2  TYR  49           HE1      TYR  49 -12.322   5.268  -0.227
  385    HH   TYR  49           HH       TYR  49 -15.612   5.041  -1.589
  386    H    SER  50           HN       SER  50 -14.404   0.941   5.901
  387    HA   SER  50           HA       SER  50 -12.238  -0.573   6.969
  388   1HB   SER  50           HB2      SER  50 -13.705  -1.053   8.797
  389   2HB   SER  50           HB1      SER  50 -14.134   0.557   8.248
  390    HG   SER  50           HG       SER  50 -15.684  -1.575   8.420
  391    H    ASN  51           HN       ASN  51 -14.473  -1.310   4.571
  392    HA   ASN  51           HA       ASN  51 -14.480  -4.226   5.080
  393   1HB   ASN  51           HB2      ASN  51 -16.492  -2.948   4.142
  394   2HB   ASN  51           HB1      ASN  51 -15.561  -2.765   2.656
  395   1HD2  ASN  51          HD22      ASN  51 -16.316  -6.011   1.543
  396   2HD2  ASN  51          HD21      ASN  51 -15.728  -4.462   1.175
  397    H    VAL  52           HN       VAL  52 -12.226  -2.208   4.149
  398    HA   VAL  52           HA       VAL  52 -11.054  -4.053   2.114
  399    HB   VAL  52           HB       VAL  52 -11.030  -1.023   2.183
  400   1HG1  VAL  52          HG13      VAL  52  -9.163  -2.970   0.850
  401   2HG1  VAL  52          HG12      VAL  52  -9.547  -1.449   0.043
  402   3HG1  VAL  52          HG11      VAL  52  -8.798  -1.440   1.638
  403   1HG2  VAL  52          HG21      VAL  52 -11.880  -3.084   0.128
  404   2HG2  VAL  52          HG23      VAL  52 -12.941  -2.016   1.047
  405   3HG2  VAL  52          HG22      VAL  52 -11.846  -1.345  -0.162
  406    H    ILE  53           HN       ILE  53  -8.832  -4.514   2.473
  407    HA   ILE  53           HA       ILE  53  -7.850  -3.684   5.180
  408    HB   ILE  53           HB       ILE  53  -6.695  -5.782   3.323
  409   1HG1  ILE  53          HG12      ILE  53  -9.016  -6.379   3.680
  410   2HG1  ILE  53          HG11      ILE  53  -8.028  -7.404   4.716
  411   1HG2  ILE  53          HG21      ILE  53  -5.458  -4.816   5.415
  412   2HG2  ILE  53          HG23      ILE  53  -6.621  -5.756   6.342
  413   3HG2  ILE  53          HG22      ILE  53  -5.535  -6.563   5.212
  414   1HD1  ILE  53          HD12      ILE  53  -8.441  -5.571   6.529
  415   2HD1  ILE  53          HD11      ILE  53  -9.767  -5.068   5.483
  416   3HD1  ILE  53          HD13      ILE  53  -9.745  -6.698   6.156
  417    H    PHE  54           HN       PHE  54  -6.374  -2.025   5.237
  418    HA   PHE  54           HA       PHE  54  -4.773  -1.421   2.772
  419   1HB   PHE  54           HB2      PHE  54  -5.373   0.233   5.245
  420   2HB   PHE  54           HB1      PHE  54  -4.280   0.743   3.962
  421    HD1  PHE  54           HD1      PHE  54  -7.790  -0.361   4.596
  422    HD2  PHE  54           HD2      PHE  54  -5.134   1.823   2.033
  423    HE1  PHE  54           HE1      PHE  54  -9.729   0.530   3.334
  424    HE2  PHE  54           HE2      PHE  54  -7.070   2.699   0.760
  425    HZ   PHE  54           HZ       PHE  54  -9.368   2.049   1.412
  426    H    LEU  55           HN       LEU  55  -2.631  -1.960   2.782
  427    HA   LEU  55           HA       LEU  55  -1.290  -2.532   5.404
  428   1HB   LEU  55           HB2      LEU  55  -0.681  -3.584   2.630
  429   2HB   LEU  55           HB1      LEU  55   0.413  -3.786   3.997
  430    HG   LEU  55           HG       LEU  55  -1.243  -5.089   5.192
  431   1HD1  LEU  55          HD13      LEU  55  -3.074  -4.198   2.978
  432   2HD1  LEU  55          HD12      LEU  55  -3.379  -5.720   3.823
  433   3HD1  LEU  55          HD11      LEU  55  -3.341  -4.216   4.721
  434   1HD2  LEU  55          HD21      LEU  55   0.175  -6.201   3.487
  435   2HD2  LEU  55          HD23      LEU  55  -1.373  -7.016   3.701
  436   3HD2  LEU  55          HD22      LEU  55  -1.107  -5.975   2.300
  437    H    GLU  56           HN       GLU  56   0.674  -1.617   5.842
  438    HA   GLU  56           HA       GLU  56   1.610   0.529   3.965
  439   1HB   GLU  56           HB2      GLU  56   0.751   1.246   6.256
  440   2HB   GLU  56           HB1      GLU  56   2.116   0.365   6.947
  441   1HG   GLU  56           HG2      GLU  56   3.663   1.718   5.537
  442   2HG   GLU  56           HG1      GLU  56   2.278   2.654   4.965
  443    H    VAL  57           HN       VAL  57   3.665   0.234   3.185
  444    HA   VAL  57           HA       VAL  57   5.400  -1.826   4.523
  445    HB   VAL  57           HB       VAL  57   5.047  -1.398   1.545
  446   1HG1  VAL  57          HG13      VAL  57   6.620  -3.385   3.203
  447   2HG1  VAL  57          HG12      VAL  57   6.326  -3.574   1.475
  448   3HG1  VAL  57          HG11      VAL  57   7.271  -2.206   2.065
  449   1HG2  VAL  57          HG21      VAL  57   3.058  -2.399   2.609
  450   2HG2  VAL  57          HG23      VAL  57   3.905  -3.586   1.618
  451   3HG2  VAL  57          HG22      VAL  57   4.078  -3.615   3.373
  452    H    ASP  58           HN       ASP  58   7.468  -1.164   4.883
  453    HA   ASP  58           HA       ASP  58   8.314   1.529   3.942
  454   1HB   ASP  58           HB2      ASP  58   8.505   0.792   6.368
  455   2HB   ASP  58           HB1      ASP  58   9.737  -0.356   5.830
  456    H    VAL  59           HN       VAL  59   9.570   1.615   2.094
  457    HA   VAL  59           HA       VAL  59  10.693  -0.784   0.927
  458    HB   VAL  59           HB       VAL  59  11.878   0.780  -0.591
  459   1HG1  VAL  59          HG12      VAL  59   8.977   1.394   0.020
  460   2HG1  VAL  59          HG11      VAL  59   9.810   1.972  -1.420
  461   3HG1  VAL  59          HG13      VAL  59   9.596   0.245  -1.165
  462   1HG2  VAL  59          HG22      VAL  59  10.740   2.905   1.246
  463   2HG2  VAL  59          HG21      VAL  59  12.442   2.544   0.988
  464   3HG2  VAL  59          HG23      VAL  59  11.482   3.224  -0.322
  465    H    ASP  60           HN       ASP  60  11.691   1.361   3.411
  466    HA   ASP  60           HA       ASP  60  14.544   0.588   3.169
  467   1HB   ASP  60           HB2      ASP  60  12.997   2.572   4.809
  468   2HB   ASP  60           HB1      ASP  60  14.629   2.130   5.276
  469    H    ASP  61           HN       ASP  61  11.903   0.184   5.607
  470    HA   ASP  61           HA       ASP  61  13.698  -1.676   7.106
  471   1HB   ASP  61           HB2      ASP  61  10.913  -0.657   7.764
  472   2HB   ASP  61           HB1      ASP  61  11.879  -1.714   8.791
  473    H    ALA  62           HN       ALA  62  11.292  -1.713   4.728
  474    HA   ALA  62           HA       ALA  62  10.901  -4.658   5.097
  475   1HB   ALA  62           HB3      ALA  62   8.852  -3.039   5.464
  476   2HB   ALA  62           HB2      ALA  62   8.844  -2.956   3.702
  477   3HB   ALA  62           HB1      ALA  62   8.643  -4.508   4.512
  478    H    GLN  63           HN       GLN  63  12.992  -3.367   3.705
  479    HA   GLN  63           HA       GLN  63  12.534  -3.003   0.935
  480   1HB   GLN  63           HB2      GLN  63  14.931  -3.244   0.675
  481   2HB   GLN  63           HB1      GLN  63  14.627  -2.389   2.189
  482   1HG   GLN  63           HG2      GLN  63  14.767  -4.622   3.368
  483   2HG   GLN  63           HG1      GLN  63  15.327  -5.315   1.846
  484   1HE2  GLN  63          HE22      GLN  63  18.607  -4.485   2.850
  485   2HE2  GLN  63          HE21      GLN  63  17.519  -5.715   2.415
  486    H    ASP  64           HN       ASP  64  12.631  -5.901   2.839
  487    HA   ASP  64           HA       ASP  64  13.375  -7.755   0.804
  488   1HB   ASP  64           HB2      ASP  64  12.092  -9.421   2.212
  489   2HB   ASP  64           HB1      ASP  64  13.293  -8.497   3.106
  490    H    VAL  65           HN       VAL  65  10.292  -6.252   1.678
  491    HA   VAL  65           HA       VAL  65   8.734  -7.824  -0.191
  492    HB   VAL  65           HB       VAL  65   8.063  -5.082   0.927
  493   1HG1  VAL  65          HG13      VAL  65   6.686  -6.085  -0.975
  494   2HG1  VAL  65          HG12      VAL  65   6.218  -7.352   0.158
  495   3HG1  VAL  65          HG11      VAL  65   5.790  -5.673   0.485
  496   1HG2  VAL  65          HG21      VAL  65   7.991  -7.817   2.173
  497   2HG2  VAL  65          HG23      VAL  65   8.422  -6.274   2.902
  498   3HG2  VAL  65          HG22      VAL  65   6.732  -6.662   2.597
  499    H    ALA  66           HN       ALA  66  10.239  -4.604  -0.248
  500    HA   ALA  66           HA       ALA  66   9.267  -3.868  -2.847
  501   1HB   ALA  66           HB3      ALA  66  11.578  -2.903  -1.170
  502   2HB   ALA  66           HB2      ALA  66  11.211  -2.226  -2.750
  503   3HB   ALA  66           HB1      ALA  66  10.028  -2.108  -1.446
  504    H    SER  67           HN       SER  67  12.323  -5.380  -1.781
  505    HA   SER  67           HA       SER  67  13.625  -5.282  -4.309
  506   1HB   SER  67           HB2      SER  67  15.042  -7.094  -3.467
  507   2HB   SER  67           HB1      SER  67  14.754  -5.917  -2.190
  508    HG   SER  67           HG       SER  67  13.722  -7.389  -1.106
  509    H    GLU  68           HN       GLU  68  11.333  -7.633  -2.989
  510    HA   GLU  68           HA       GLU  68  11.552  -9.508  -5.161
  511   1HB   GLU  68           HB2      GLU  68  10.535 -10.003  -2.919
  512   2HB   GLU  68           HB1      GLU  68   9.158  -8.998  -3.367
  513   1HG   GLU  68           HG2      GLU  68  10.064 -11.322  -5.077
  514   2HG   GLU  68           HG1      GLU  68   8.913 -11.526  -3.757
  515    H    ALA  69           HN       ALA  69   9.520  -6.654  -4.606
  516    HA   ALA  69           HA       ALA  69   8.068  -7.081  -7.131
  517   1HB   ALA  69           HB2      ALA  69   6.885  -6.194  -5.157
  518   2HB   ALA  69           HB1      ALA  69   7.944  -4.783  -5.160
  519   3HB   ALA  69           HB3      ALA  69   6.831  -5.054  -6.501
  520    H    GLU  70           HN       GLU  70  11.058  -5.788  -6.383
  521    HA   GLU  70           HA       GLU  70  12.512  -4.351  -7.542
  522   1HB   GLU  70           HB2      GLU  70  10.650  -5.153  -9.794
  523   2HB   GLU  70           HB1      GLU  70  12.125  -4.224 -10.031
  524   1HG   GLU  70           HG2      GLU  70  12.721  -6.491 -10.428
  525   2HG   GLU  70           HG1      GLU  70  13.352  -6.103  -8.829
  526    H    VAL  71           HN       VAL  71  10.715  -2.861  -6.082
  527    HA   VAL  71           HA       VAL  71   9.140  -1.055  -7.661
  528    HB   VAL  71           HB       VAL  71  10.462  -0.487  -4.983
  529   1HG1  VAL  71          HG11      VAL  71   8.049   0.644  -6.437
  530   2HG1  VAL  71          HG13      VAL  71   8.411   0.973  -4.745
  531   3HG1  VAL  71          HG12      VAL  71   9.528   1.502  -6.011
  532   1HG2  VAL  71          HG21      VAL  71   7.808  -1.823  -5.664
  533   2HG2  VAL  71          HG23      VAL  71   9.189  -2.591  -4.880
  534   3HG2  VAL  71          HG22      VAL  71   8.290  -1.326  -4.042
  535    H    LYS  72           HN       LYS  72   9.750   0.687  -8.860
  536    HA   LYS  72           HA       LYS  72  12.633   1.405  -8.884
  537   1HB   LYS  72           HB2      LYS  72  10.447   1.987 -10.894
  538   2HB   LYS  72           HB1      LYS  72  12.149   2.393 -11.090
  539   1HG   LYS  72           HG2      LYS  72  11.291  -0.463 -10.566
  540   2HG   LYS  72           HG1      LYS  72  11.290   0.202 -12.198
  541   1HD   LYS  72           HD2      LYS  72  13.706   0.838 -11.867
  542   2HD   LYS  72           HD1      LYS  72  13.671  -0.033 -10.334
  543   1HE   LYS  72           HE2      LYS  72  13.022  -2.095 -11.500
  544   2HE   LYS  72           HE1      LYS  72  13.024  -1.234 -13.037
  545   1HZ   LYS  72           HZ3      LYS  72  15.399  -0.693 -12.587
  546   2HZ   LYS  72           HZ2      LYS  72  15.341  -1.752 -11.259
  547   3HZ   LYS  72           HZ1      LYS  72  15.093  -2.343 -12.832
  548    H    ALA  73           HN       ALA  73   9.661   2.617  -7.718
  549    HA   ALA  73           HA       ALA  73  10.971   5.113  -6.969
  550   1HB   ALA  73           HB3      ALA  73  10.138   5.381  -9.396
  551   2HB   ALA  73           HB2      ALA  73   8.525   5.447  -8.684
  552   3HB   ALA  73           HB1      ALA  73   9.741   6.649  -8.237
  553    H    THR  74           HN       THR  74   9.739   6.350  -5.443
  554    HA   THR  74           HA       THR  74   7.265   5.038  -4.378
  555    HB   THR  74           HB       THR  74   8.021   5.493  -2.106
  556    HG1  THR  74           HG1      THR  74  10.019   6.906  -3.459
  557   1HG2  THR  74          HG23      THR  74  10.138   4.228  -3.815
  558   2HG2  THR  74          HG22      THR  74  10.197   4.225  -2.058
  559   3HG2  THR  74          HG21      THR  74   8.866   3.430  -2.905
  560    HA   PRO  75           HA       PRO  75   5.888   5.727  -2.551
  561   1HB   PRO  75           HB2      PRO  75   3.321   6.757  -2.608
  562   2HB   PRO  75           HB1      PRO  75   4.560   7.224  -1.436
  563   1HG   PRO  75           HG2      PRO  75   3.537   8.736  -3.777
  564   2HG   PRO  75           HG1      PRO  75   4.263   9.336  -2.282
  565   1HD   PRO  75           HD2      PRO  75   5.551   9.153  -4.804
  566   2HD   PRO  75           HD1      PRO  75   6.351   9.444  -3.233
  567    H    THR  76           HN       THR  76   4.915   3.827  -3.212
  568    HA   THR  76           HA       THR  76   3.500   3.835  -5.863
  569    HB   THR  76           HB       THR  76   5.367   1.679  -4.845
  570    HG1  THR  76           HG1      THR  76   6.110   3.822  -5.809
  571   1HG2  THR  76          HG21      THR  76   3.661   1.955  -7.321
  572   2HG2  THR  76          HG23      THR  76   5.001   0.813  -7.208
  573   3HG2  THR  76          HG22      THR  76   3.619   0.661  -6.126
  574    H    PHE  77           HN       PHE  77   1.574   2.890  -5.814
  575    HA   PHE  77           HA       PHE  77   0.747   1.413  -3.340
  576   1HB   PHE  77           HB2      PHE  77  -0.928   2.833  -5.435
  577   2HB   PHE  77           HB1      PHE  77  -1.549   2.041  -3.984
  578    HD1  PHE  77           HD1      PHE  77  -1.124   2.975  -1.753
  579    HD2  PHE  77           HD2      PHE  77   0.284   4.926  -5.312
  580    HE1  PHE  77           HE1      PHE  77  -0.675   5.034  -0.444
  581    HE2  PHE  77           HE2      PHE  77   0.733   6.987  -4.004
  582    HZ   PHE  77           HZ       PHE  77   0.254   7.041  -1.570
  583    H    GLN  78           HN       GLN  78   0.255  -0.724  -3.569
  584    HA   GLN  78           HA       GLN  78  -0.201  -1.783  -6.341
  585   1HB   GLN  78           HB2      GLN  78   1.298  -3.034  -4.028
  586   2HB   GLN  78           HB1      GLN  78   0.830  -3.909  -5.487
  587   1HG   GLN  78           HG2      GLN  78   2.055  -2.142  -6.816
  588   2HG   GLN  78           HG1      GLN  78   2.686  -1.524  -5.292
  589   1HE2  GLN  78          HE22      GLN  78   5.371  -3.786  -5.963
  590   2HE2  GLN  78          HE21      GLN  78   4.895  -2.158  -6.022
  591    H    PHE  79           HN       PHE  79  -1.901  -3.129  -6.583
  592    HA   PHE  79           HA       PHE  79  -3.662  -3.493  -4.185
  593   1HB   PHE  79           HB2      PHE  79  -4.285  -3.416  -7.148
  594   2HB   PHE  79           HB1      PHE  79  -5.471  -3.756  -5.882
  595    HD1  PHE  79           HD2      PHE  79  -3.080  -1.239  -7.174
  596    HD2  PHE  79           HD1      PHE  79  -6.332  -2.005  -4.484
  597    HE1  PHE  79           HE2      PHE  79  -3.266   1.179  -6.717
  598    HE2  PHE  79           HE1      PHE  79  -6.519   0.423  -4.017
  599    HZ   PHE  79           HZ       PHE  79  -4.987   2.019  -5.137
  600    H    PHE  80           HN       PHE  80  -4.192  -5.479  -3.527
  601    HA   PHE  80           HA       PHE  80  -3.490  -7.817  -5.242
  602   1HB   PHE  80           HB2      PHE  80  -2.937  -7.397  -2.305
  603   2HB   PHE  80           HB1      PHE  80  -2.926  -8.993  -3.049
  604    HD1  PHE  80           HD2      PHE  80  -1.234  -5.683  -2.929
  605    HD2  PHE  80           HD1      PHE  80  -1.176  -9.670  -4.556
  606    HE1  PHE  80           HE2      PHE  80   1.107  -5.358  -3.668
  607    HE2  PHE  80           HE1      PHE  80   1.168  -9.333  -5.292
  608    HZ   PHE  80           HZ       PHE  80   2.309  -7.177  -4.846
  609    H    LYS  81           HN       LYS  81  -4.919  -9.567  -5.116
  610    HA   LYS  81           HA       LYS  81  -7.194  -9.371  -3.209
  611   1HB   LYS  81           HB2      LYS  81  -7.780  -8.182  -5.402
  612   2HB   LYS  81           HB1      LYS  81  -7.645  -9.757  -6.183
  613   1HG   LYS  81           HG2      LYS  81  -9.297 -10.606  -4.431
  614   2HG   LYS  81           HG1      LYS  81  -9.579  -8.922  -4.016
  615   1HD   LYS  81           HD2      LYS  81  -9.860  -9.965  -6.843
  616   2HD   LYS  81           HD1      LYS  81 -11.204  -9.931  -5.705
  617   1HE   LYS  81           HE2      LYS  81 -10.802  -7.471  -5.396
  618   2HE   LYS  81           HE1      LYS  81  -9.600  -7.553  -6.684
  619   1HZ   LYS  81           HZ2      LYS  81 -12.380  -8.500  -7.049
  620   2HZ   LYS  81           HZ1      LYS  81 -11.918  -6.896  -7.365
  621   3HZ   LYS  81           HZ3      LYS  81 -11.218  -8.167  -8.242
  622    H    LYS  82           HN       LYS  82  -7.735 -11.439  -2.530
  623    HA   LYS  82           HA       LYS  82  -7.427 -13.760  -2.250
  624   1HB   LYS  82           HB2      LYS  82  -7.592 -13.589  -5.281
  625   2HB   LYS  82           HB1      LYS  82  -7.647 -15.098  -4.371
  626   1HG   LYS  82           HG2      LYS  82  -9.613 -13.968  -3.072
  627   2HG   LYS  82           HG1      LYS  82  -9.672 -12.864  -4.442
  628   1HD   LYS  82           HD2      LYS  82  -9.785 -14.909  -5.946
  629   2HD   LYS  82           HD1      LYS  82 -10.027 -15.867  -4.485
  630   1HE   LYS  82           HE2      LYS  82 -12.024 -14.538  -3.931
  631   2HE   LYS  82           HE1      LYS  82 -11.776 -13.554  -5.373
  632   1HZ   LYS  82           HZ2      LYS  82 -11.743 -15.993  -6.425
  633   2HZ   LYS  82           HZ1      LYS  82 -12.805 -16.256  -5.126
  634   3HZ   LYS  82           HZ3      LYS  82 -13.155 -15.059  -6.276
  635    H    GLY  83           HN       GLY  83  -5.010 -12.092  -2.414
  636   1HA   GLY  83           HA2      GLY  83  -2.704 -12.528  -2.356
  637   2HA   GLY  83           HA1      GLY  83  -3.071 -14.214  -2.716
  638    H    GLN  84           HN       GLN  84  -4.290 -11.683  -4.798
  639    HA   GLN  84           HA       GLN  84  -2.201 -12.345  -6.822
  640   1HB   GLN  84           HB2      GLN  84  -5.193 -12.184  -7.223
  641   2HB   GLN  84           HB1      GLN  84  -4.044 -12.166  -8.556
  642   1HG   GLN  84           HG2      GLN  84  -4.113 -14.350  -6.462
  643   2HG   GLN  84           HG1      GLN  84  -4.986 -14.449  -7.992
  644   1HE2  GLN  84          HE22      GLN  84  -1.286 -13.880  -9.258
  645   2HE2  GLN  84          HE21      GLN  84  -2.367 -12.652  -8.798
  646    H    LYS  85           HN       LYS  85  -1.314 -10.637  -7.824
  647    HA   LYS  85           HA       LYS  85  -2.109  -7.923  -7.041
  648   1HB   LYS  85           HB2      LYS  85   0.261  -8.629  -7.374
  649   2HB   LYS  85           HB1      LYS  85  -0.081  -8.869  -9.087
  650   1HG   LYS  85           HG2      LYS  85  -0.754  -6.474  -9.248
  651   2HG   LYS  85           HG1      LYS  85  -0.286  -6.261  -7.561
  652   1HD   LYS  85           HD2      LYS  85   2.005  -7.045  -8.128
  653   2HD   LYS  85           HD1      LYS  85   1.525  -7.143  -9.823
  654   1HE   LYS  85           HE2      LYS  85   0.958  -4.722  -9.773
  655   2HE   LYS  85           HE1      LYS  85   1.529  -4.650  -8.104
  656   1HZ   LYS  85           HZ3      LYS  85   3.514  -5.899  -9.574
  657   2HZ   LYS  85           HZ2      LYS  85   3.029  -4.552 -10.491
  658   3HZ   LYS  85           HZ1      LYS  85   3.559  -4.348  -8.889
  659    H    VAL  86           HN       VAL  86  -3.654  -6.781  -8.111
  660    HA   VAL  86           HA       VAL  86  -4.176  -7.431 -10.993
  661    HB   VAL  86           HB       VAL  86  -6.544  -6.770 -10.542
  662   1HG1  VAL  86          HG13      VAL  86  -5.622  -9.174 -10.410
  663   2HG1  VAL  86          HG12      VAL  86  -5.713  -8.984  -8.659
  664   3HG1  VAL  86          HG11      VAL  86  -7.176  -8.870  -9.636
  665   1HG2  VAL  86          HG23      VAL  86  -5.603  -6.815  -7.656
  666   2HG2  VAL  86          HG22      VAL  86  -6.111  -5.381  -8.548
  667   3HG2  VAL  86          HG21      VAL  86  -7.279  -6.651  -8.183
  668    H    GLY  87           HN       GLY  87  -2.746  -5.121  -9.177
  669   1HA   GLY  87           HA2      GLY  87  -3.043  -3.126 -11.212
  670   2HA   GLY  87           HA1      GLY  87  -4.105  -2.719  -9.872
  671    H    GLU  88           HN       GLU  88  -1.835  -1.223 -10.823
  672    HA   GLU  88           HA       GLU  88  -0.528  -0.681  -8.304
  673   1HB   GLU  88           HB2      GLU  88   0.880  -2.549  -8.857
  674   2HB   GLU  88           HB1      GLU  88   1.057  -2.004 -10.518
  675   1HG   GLU  88           HG2      GLU  88   1.967  -0.272  -8.215
  676   2HG   GLU  88           HG1      GLU  88   3.005  -1.552  -8.839
  677    H    PHE  89           HN       PHE  89   0.560   1.328  -8.345
  678    HA   PHE  89           HA       PHE  89   1.120   2.645 -10.861
  679   1HB   PHE  89           HB2      PHE  89  -0.483   4.411 -10.831
  680   2HB   PHE  89           HB1      PHE  89  -1.390   2.912 -10.696
  681    HD1  PHE  89           HD1      PHE  89   0.020   5.742  -8.757
  682    HD2  PHE  89           HD2      PHE  89  -2.802   2.507  -8.794
  683    HE1  PHE  89           HE1      PHE  89  -1.028   6.644  -6.698
  684    HE2  PHE  89           HE2      PHE  89  -3.855   3.409  -6.726
  685    HZ   PHE  89           HZ       PHE  89  -2.970   5.480  -5.685
  686    H    SER  90           HN       SER  90   1.955   4.878 -10.486
  687    HA   SER  90           HA       SER  90   3.021   5.235  -7.702
  688   1HB   SER  90           HB2      SER  90   5.103   6.070  -8.710
  689   2HB   SER  90           HB1      SER  90   4.798   4.401  -9.191
  690    HG   SER  90           HG       SER  90   5.181   6.472 -10.747
  691    H    GLY  91           HN       GLY  91   3.623   7.448  -7.208
  692   1HA   GLY  91           HA2      GLY  91   3.608   9.823  -8.062
  693   2HA   GLY  91           HA1      GLY  91   2.035   9.471  -8.770
  694    H    ALA  92           HN       ALA  92   2.961  11.388  -6.583
  695    HA   ALA  92           HA       ALA  92   1.676  10.394  -4.164
  696   1HB   ALA  92           HB3      ALA  92   2.697  13.089  -5.069
  697   2HB   ALA  92           HB2      ALA  92   1.912  12.870  -3.508
  698   3HB   ALA  92           HB1      ALA  92   3.410  12.012  -3.876
  699    H    ASN  93           HN       ASN  93  -0.318   9.834  -5.688
  700    HA   ASN  93           HA       ASN  93  -2.213  12.167  -5.668
  701   1HB   ASN  93           HB2      ASN  93  -1.636  11.203  -7.950
  702   2HB   ASN  93           HB1      ASN  93  -2.415   9.710  -7.425
  703   1HD2  ASN  93          HD22      ASN  93  -5.263  12.466  -6.958
  704   2HD2  ASN  93          HD21      ASN  93  -3.979  12.244  -5.873
  705    H    LYS  94           HN       LYS  94  -2.993  11.749  -3.568
  706    HA   LYS  94           HA       LYS  94  -3.700   9.133  -2.624
  707   1HB   LYS  94           HB2      LYS  94  -4.962  10.422  -0.888
  708   2HB   LYS  94           HB1      LYS  94  -3.266  10.863  -1.037
  709   1HG   LYS  94           HG2      LYS  94  -4.954  12.463  -2.840
  710   2HG   LYS  94           HG1      LYS  94  -5.478  12.621  -1.173
  711   1HD   LYS  94           HD2      LYS  94  -3.124  13.161  -0.524
  712   2HD   LYS  94           HD1      LYS  94  -2.681  13.114  -2.236
  713   1HE   LYS  94           HE2      LYS  94  -4.291  14.893  -2.722
  714   2HE   LYS  94           HE1      LYS  94  -4.806  14.910  -1.036
  715   1HZ   LYS  94           HZ3      LYS  94  -1.970  15.188  -1.345
  716   2HZ   LYS  94           HZ2      LYS  94  -2.831  16.435  -2.113
  717   3HZ   LYS  94           HZ1      LYS  94  -3.058  16.139  -0.455
  718    H    GLU  95           HN       GLU  95  -5.569  11.614  -4.355
  719    HA   GLU  95           HA       GLU  95  -8.149  10.467  -3.898
  720   1HB   GLU  95           HB2      GLU  95  -7.131  12.081  -6.260
  721   2HB   GLU  95           HB1      GLU  95  -8.826  11.754  -5.910
  722   1HG   GLU  95           HG2      GLU  95  -6.976  13.109  -3.939
  723   2HG   GLU  95           HG1      GLU  95  -7.978  14.001  -5.084
  724    H    LYS  96           HN       LYS  96  -5.570   9.712  -6.124
  725    HA   LYS  96           HA       LYS  96  -7.003   8.128  -8.000
  726   1HB   LYS  96           HB2      LYS  96  -4.606   8.932  -8.113
  727   2HB   LYS  96           HB1      LYS  96  -4.189   7.630  -7.017
  728   1HG   LYS  96           HG2      LYS  96  -4.810   5.954  -8.577
  729   2HG   LYS  96           HG1      LYS  96  -5.655   7.112  -9.607
  730   1HD   LYS  96           HD2      LYS  96  -3.491   8.251 -10.061
  731   2HD   LYS  96           HD1      LYS  96  -2.665   7.028  -9.100
  732   1HE   LYS  96           HE2      LYS  96  -4.295   6.513 -11.606
  733   2HE   LYS  96           HE1      LYS  96  -2.537   6.462 -11.490
  734   1HZ   LYS  96           HZ3      LYS  96  -3.680   4.841  -9.485
  735   2HZ   LYS  96           HZ2      LYS  96  -4.325   4.403 -10.995
  736   3HZ   LYS  96           HZ1      LYS  96  -2.643   4.395 -10.751
  737    H    LEU  97           HN       LEU  97  -5.685   7.390  -4.806
  738    HA   LEU  97           HA       LEU  97  -5.953   4.561  -4.868
  739   1HB   LEU  97           HB2      LEU  97  -6.304   6.563  -2.616
  740   2HB   LEU  97           HB1      LEU  97  -6.342   4.827  -2.359
  741    HG   LEU  97           HG       LEU  97  -4.007   6.141  -3.735
  742   1HD1  LEU  97          HD13      LEU  97  -4.372   7.237  -1.523
  743   2HD1  LEU  97          HD12      LEU  97  -4.299   5.659  -0.758
  744   3HD1  LEU  97          HD11      LEU  97  -2.877   6.308  -1.572
  745   1HD2  LEU  97          HD22      LEU  97  -4.663   3.457  -3.314
  746   2HD2  LEU  97          HD21      LEU  97  -3.044   4.069  -3.626
  747   3HD2  LEU  97          HD23      LEU  97  -3.578   3.798  -1.971
  748    H    GLU  98           HN       GLU  98  -8.206   7.164  -4.189
  749    HA   GLU  98           HA       GLU  98 -10.391   5.559  -3.292
  750   1HB   GLU  98           HB2      GLU  98 -10.277   8.035  -3.051
  751   2HB   GLU  98           HB1      GLU  98 -10.546   8.194  -4.788
  752   1HG   GLU  98           HG2      GLU  98 -12.702   6.976  -4.547
  753   2HG   GLU  98           HG1      GLU  98 -12.435   6.886  -2.806
  754    H    ALA  99           HN       ALA  99  -9.545   6.631  -6.592
  755    HA   ALA  99           HA       ALA  99 -11.910   5.496  -7.777
  756   1HB   ALA  99           HB3      ALA  99 -10.598   7.233  -8.915
  757   2HB   ALA  99           HB2      ALA  99  -9.238   6.120  -9.064
  758   3HB   ALA  99           HB1      ALA  99 -10.739   5.795  -9.930
  759    H    THR 100           HN       THR 100  -8.595   4.183  -7.447
  760    HA   THR 100           HA       THR 100  -9.175   1.805  -8.938
  761    HB   THR 100           HB       THR 100  -7.130   2.056  -6.719
  762    HG1  THR 100           HG1      THR 100  -6.425   3.586  -7.991
  763   1HG2  THR 100          HG22      THR 100  -7.425   0.295  -9.167
  764   2HG2  THR 100          HG21      THR 100  -5.927   0.427  -8.251
  765   3HG2  THR 100          HG23      THR 100  -7.377  -0.215  -7.480
  766    H    ILE 101           HN       ILE 101  -9.450   2.542  -5.478
  767    HA   ILE 101           HA       ILE 101 -10.096  -0.104  -4.580
  768    HB   ILE 101           HB       ILE 101 -10.905   2.637  -3.563
  769   1HG1  ILE 101          HG12      ILE 101  -9.012   0.663  -2.270
  770   2HG1  ILE 101          HG11      ILE 101  -8.442   1.734  -3.549
  771   1HG2  ILE 101          HG22      ILE 101 -11.429  -0.120  -2.426
  772   2HG2  ILE 101          HG21      ILE 101 -11.414   1.325  -1.415
  773   3HG2  ILE 101          HG23      ILE 101 -12.590   1.174  -2.720
  774   1HD1  ILE 101          HD12      ILE 101  -9.291   3.684  -2.226
  775   2HD1  ILE 101          HD11      ILE 101  -9.712   2.571  -0.924
  776   3HD1  ILE 101          HD13      ILE 101  -8.024   2.783  -1.394
  777    H    ASN 102           HN       ASN 102 -12.182   2.605  -5.584
  778    HA   ASN 102           HA       ASN 102 -14.671   1.232  -5.374
  779   1HB   ASN 102           HB2      ASN 102 -14.433   3.696  -5.720
  780   2HB   ASN 102           HB1      ASN 102 -13.868   3.386  -7.363
  781   1HD2  ASN 102          HD22      ASN 102 -17.798   3.551  -6.702
  782   2HD2  ASN 102          HD21      ASN 102 -16.628   4.124  -5.614
  783    H    GLU 103           HN       GLU 103 -12.231   1.420  -7.870
  784    HA   GLU 103           HA       GLU 103 -13.700   0.130  -9.957
  785   1HB   GLU 103           HB2      GLU 103 -11.566   1.495 -10.160
  786   2HB   GLU 103           HB1      GLU 103 -10.708   0.097  -9.521
  787   1HG   GLU 103           HG2      GLU 103 -11.723  -1.285 -11.373
  788   2HG   GLU 103           HG1      GLU 103 -12.314   0.220 -12.079
  789    H    LEU 104           HN       LEU 104 -11.519  -1.115  -7.420
  790    HA   LEU 104           HA       LEU 104 -12.008  -3.894  -8.371
  791   1HB   LEU 104           HB2      LEU 104 -10.104  -2.798  -6.291
  792   2HB   LEU 104           HB1      LEU 104 -10.204  -4.491  -6.769
  793    HG   LEU 104           HG       LEU 104  -9.543  -2.176  -8.616
  794   1HD1  LEU 104          HD13      LEU 104  -7.822  -4.280  -7.286
  795   2HD1  LEU 104          HD12      LEU 104  -7.273  -3.288  -8.636
  796   3HD1  LEU 104          HD11      LEU 104  -7.710  -2.529  -7.105
  797   1HD2  LEU 104          HD22      LEU 104  -9.974  -5.127  -9.033
  798   2HD2  LEU 104          HD21      LEU 104 -10.425  -3.773 -10.068
  799   3HD2  LEU 104          HD23      LEU 104  -8.749  -4.312 -10.007
  800    H    VAL 105           HN       VAL 105 -13.495  -1.808  -6.210
  801    HA   VAL 105           HA       VAL 105 -13.819  -3.511  -3.916
  802    HB   VAL 105           HB       VAL 105 -14.428  -1.006  -4.124
  803   1HG1  VAL 105          HG12      VAL 105 -15.949  -1.554  -6.166
  804   2HG1  VAL 105          HG11      VAL 105 -17.133  -2.054  -4.961
  805   3HG1  VAL 105          HG13      VAL 105 -16.539  -0.392  -4.978
  806   1HG2  VAL 105          HG22      VAL 105 -16.294  -3.015  -2.834
  807   2HG2  VAL 105          HG21      VAL 105 -14.899  -2.229  -2.095
  808   3HG2  VAL 105          HG23      VAL 105 -16.336  -1.285  -2.495
  809    HA   PRO  59           HA       PRO 106  14.883  15.811 -13.463
  810   1HB   PRO  59           HB2      PRO 106  17.306  15.772 -11.689
  811   2HB   PRO  59           HB1      PRO 106  17.071  15.044 -13.291
  812   1HG   PRO  59           HG2      PRO 106  18.475  17.302 -12.966
  813   2HG   PRO  59           HG1      PRO 106  17.468  17.024 -14.398
  814   1HD   PRO  59           HD2      PRO 106  16.984  18.854 -12.094
  815   2HD   PRO  59           HD1      PRO 106  16.407  18.976 -13.771
  816    H    ALA  60           HN       ALA 107  15.266  17.069 -10.158
  817    HA   ALA  60           HA       ALA 107  14.265  14.506  -9.025
  818   1HB   ALA  60           HB2      ALA 107  16.141  15.846  -7.935
  819   2HB   ALA  60           HB1      ALA 107  14.923  17.053  -7.525
  820   3HB   ALA  60           HB3      ALA 107  14.799  15.419  -6.874
  821    H    THR  61           HN       THR 108  12.125  14.224  -8.644
  822    HA   THR  61           HA       THR 108  10.330  16.631  -8.691
  823    HB   THR  61           HB       THR 108   9.626  13.701  -9.088
  824    HG1  THR  61           HG1      THR 108  10.152  13.988 -11.086
  825   1HG2  THR  61          HG21      THR 108   7.797  15.215  -8.284
  826   2HG2  THR  61          HG23      THR 108   8.057  16.218  -9.710
  827   3HG2  THR  61          HG22      THR 108   7.499  14.557  -9.890
  828    H    LEU  62           HN       LEU 109   9.309  17.162  -6.819
  829    HA   LEU  62           HA       LEU 109   9.860  15.764  -4.364
  830   1HB   LEU  62           HB2      LEU 109   7.862  17.916  -5.083
  831   2HB   LEU  62           HB1      LEU 109   8.073  17.316  -3.442
  832    HG   LEU  62           HG       LEU 109  10.335  18.445  -5.117
  833   1HD1  LEU  62          HD12      LEU 109   8.548  20.129  -4.686
  834   2HD1  LEU  62          HD11      LEU 109   8.708  19.819  -2.958
  835   3HD1  LEU  62          HD13      LEU 109  10.056  20.518  -3.856
  836   1HD2  LEU  62          HD22      LEU 109  10.043  17.489  -2.269
  837   2HD2  LEU  62          HD21      LEU 109  11.362  17.217  -3.408
  838   3HD2  LEU  62          HD23      LEU 109  11.185  18.782  -2.623
  839    H    LYS  63           HN       LYS 110   7.226  15.673  -6.667
  840    HA   LYS  63           HA       LYS 110   5.313  14.318  -5.037
  841   1HB   LYS  63           HB2      LYS 110   5.719  14.135  -8.039
  842   2HB   LYS  63           HB1      LYS 110   4.269  13.640  -7.172
  843   1HG   LYS  63           HG2      LYS 110   5.388  16.455  -7.342
  844   2HG   LYS  63           HG1      LYS 110   3.934  15.859  -8.136
  845   1HD   LYS  63           HD2      LYS 110   3.182  15.249  -5.686
  846   2HD   LYS  63           HD1      LYS 110   4.401  16.429  -5.215
  847   1HE   LYS  63           HE2      LYS 110   2.135  16.979  -7.154
  848   2HE   LYS  63           HE1      LYS 110   2.134  17.432  -5.449
  849   1HZ   LYS  63           HZ2      LYS 110   4.469  18.432  -6.220
  850   2HZ   LYS  63           HZ1      LYS 110   3.601  18.588  -7.672
  851   3HZ   LYS  63           HZ3      LYS 110   3.020  19.317  -6.255
  852    H    ILE  64           HN       ILE 111   8.240  13.254  -6.498
  853    HA   ILE  64           HA       ILE 111   7.612  10.415  -5.716
  854    HB   ILE  64           HB       ILE 111   9.164  11.411  -8.133
  855   1HG1  ILE  64          HG12      ILE 111   6.746  11.430  -8.478
  856   2HG1  ILE  64          HG11      ILE 111   7.473  10.126  -9.410
  857   1HG2  ILE  64          HG21      ILE 111   8.869   8.639  -6.965
  858   2HG2  ILE  64          HG23      ILE 111   9.348   8.922  -8.638
  859   3HG2  ILE  64          HG22      ILE 111  10.361   9.512  -7.323
  860   1HD1  ILE  64          HD13      ILE 111   6.916   8.733  -7.174
  861   2HD1  ILE  64          HD12      ILE 111   5.688   9.982  -7.019
  862   3HD1  ILE  64          HD11      ILE 111   5.726   8.958  -8.452
  863    H    CYS  65           HN       CYS 112   9.276   9.392  -4.551
  864    HA   CYS  65           HA       CYS 112  11.665  11.060  -3.900
  865   1HB   CYS  65           HB2      CYS 112  11.046   8.430  -2.553
  866   2HB   CYS  65           HB1      CYS 112  11.946   9.800  -1.927
  867    H    SER  66           HN       SER 113  13.592  10.494  -4.876
  868    HA   SER  66           HA       SER 113  13.591   8.217  -6.715
  869   1HB   SER  66           HB2      SER 113  15.810  10.138  -5.953
  870   2HB   SER  66           HB1      SER 113  15.870   8.986  -7.284
  871    HG   SER  66           HG       SER 113  13.800  10.103  -7.918
  872    H    TRP  67           HN       TRP 114  14.847   6.334  -6.542
  873    HA   TRP  67           HA       TRP 114  15.505   5.484  -3.829
  874   1HB   TRP  67           HB2      TRP 114  15.789   4.126  -6.528
  875   2HB   TRP  67           HB1      TRP 114  16.241   3.360  -5.002
  876    HD1  TRP  67           HD1      TRP 114  13.179   5.348  -6.265
  877    HE1  TRP  67           HE1      TRP 114  11.053   4.170  -5.437
  878    HE3  TRP  67           HE3      TRP 114  15.234   1.420  -3.731
  879    HZ2  TRP  67           HZ2      TRP 114  10.328   1.903  -3.894
  880    HZ3  TRP  67           HZ3      TRP 114  13.795  -0.231  -2.597
  881    HH2  TRP  67           HH2      TRP 114  11.333   0.011  -2.693
  882    H    ASN  68           HN       ASN 115  17.121   7.209  -6.231
  883    HA   ASN  68           HA       ASN 115  19.774   6.271  -6.158
  884   1HB   ASN  68           HB2      ASN 115  18.744   9.131  -6.191
  885   2HB   ASN  68           HB1      ASN 115  20.428   8.684  -6.474
  886   1HD2  ASN  68          HD22      ASN 115  18.426   6.678  -9.286
  887   2HD2  ASN  68          HD21      ASN 115  18.506   6.192  -7.662
  888    H    VAL  69           HN       VAL 116  17.844   7.400  -3.592
  889    HA   VAL  69           HA       VAL 116  19.818   8.642  -1.942
  890    HB   VAL  69           HB       VAL 116  18.300   7.874  -0.039
  891   1HG1  VAL  69          HG12      VAL 116  18.051  10.030  -1.340
  892   2HG1  VAL  69          HG11      VAL 116  16.881   9.202  -2.366
  893   3HG1  VAL  69          HG13      VAL 116  16.548   9.423  -0.648
  894   1HG2  VAL  69          HG23      VAL 116  17.523   5.815  -1.296
  895   2HG2  VAL  69          HG22      VAL 116  16.216   6.787  -0.626
  896   3HG2  VAL  69          HG21      VAL 116  16.594   6.885  -2.341
  897    H    ASP  70           HN       ASP 117  21.365   7.780  -0.584
  898    HA   ASP  70           HA       ASP 117  22.413   5.190  -1.114
  899   1HB   ASP  70           HB2      ASP 117  22.794   7.056   1.244
  900   2HB   ASP  70           HB1      ASP 117  23.713   5.565   1.034
  901    H    GLY  71           HN       GLY 118  20.223   6.347   1.418
  902   1HA   GLY  71           HA2      GLY 118  18.957   5.165   3.002
  903   2HA   GLY  71           HA1      GLY 118  18.846   3.920   1.757
   
  No H/Q in entry =         903
  Start of MODEL    4
    1   1H    MET   1           HT1      MET   1  -8.184  -2.374   7.486
    2   2H    MET   1           HT3      MET   1  -8.738  -3.232   8.839
    3   3H    MET   1           HT2      MET   1  -9.599  -1.879   8.281
    4    HA   MET   1           HA       MET   1  -8.322  -0.439   9.377
    5   1HB   MET   1           HB2      MET   1  -7.308  -3.021  10.606
    6   2HB   MET   1           HB1      MET   1  -7.115  -1.422  11.318
    7   1HG   MET   1           HG2      MET   1  -9.783  -2.699  10.653
    8   2HG   MET   1           HG1      MET   1  -9.067  -2.657  12.261
    9   1HE   MET   1           HE2      MET   1  -9.180  -0.950  13.843
   10   2HE   MET   1           HE1      MET   1  -7.951  -0.012  12.996
   11   3HE   MET   1           HE3      MET   1  -9.425   0.774  13.577
   12    H    VAL   2           HN       VAL   2  -5.802  -0.349  10.376
   13    HA   VAL   2           HA       VAL   2  -4.125  -0.420   7.909
   14    HB   VAL   2           HB       VAL   2  -3.757   0.973  10.577
   15   1HG1  VAL   2          HG11      VAL   2  -2.014   0.731   8.125
   16   2HG1  VAL   2          HG13      VAL   2  -1.976   2.207   9.090
   17   3HG1  VAL   2          HG12      VAL   2  -1.559   0.664   9.828
   18   1HG2  VAL   2          HG22      VAL   2  -5.579   1.780   9.002
   19   2HG2  VAL   2          HG21      VAL   2  -4.334   2.969   9.364
   20   3HG2  VAL   2          HG23      VAL   2  -4.310   2.117   7.824
   21    H    LYS   3           HN       LYS   3  -2.399  -1.821   7.748
   22    HA   LYS   3           HA       LYS   3  -1.462  -3.254  10.210
   23   1HB   LYS   3           HB2      LYS   3  -2.940  -4.694   8.738
   24   2HB   LYS   3           HB1      LYS   3  -1.774  -4.462   7.444
   25   1HG   LYS   3           HG2      LYS   3  -1.083  -6.506   8.363
   26   2HG   LYS   3           HG1      LYS   3  -0.028  -5.359   9.182
   27   1HD   LYS   3           HD2      LYS   3  -1.540  -5.344  11.131
   28   2HD   LYS   3           HD1      LYS   3  -2.626  -6.454  10.300
   29   1HE   LYS   3           HE2      LYS   3  -0.889  -8.173  10.254
   30   2HE   LYS   3           HE1      LYS   3   0.268  -7.059  10.980
   31   1HZ   LYS   3           HZ1      LYS   3  -2.296  -7.739  12.291
   32   2HZ   LYS   3           HZ3      LYS   3  -0.891  -8.659  12.533
   33   3HZ   LYS   3           HZ2      LYS   3  -0.919  -7.021  12.980
   34    H    GLN   4           HN       GLN   4   0.719  -3.096  10.444
   35    HA   GLN   4           HA       GLN   4   2.290  -1.939   8.193
   36   1HB   GLN   4           HB2      GLN   4   2.456  -0.869  10.424
   37   2HB   GLN   4           HB1      GLN   4   3.041  -2.389  11.100
   38   1HG   GLN   4           HG2      GLN   4   4.979  -2.330   9.550
   39   2HG   GLN   4           HG1      GLN   4   4.397  -0.793   8.903
   40   1HE2  GLN   4          HE22      GLN   4   6.649   0.541  11.346
   41   2HE2  GLN   4          HE21      GLN   4   6.487   0.144   9.704
   42    H    ILE   5           HN       ILE   5   3.510  -3.284   6.968
   43    HA   ILE   5           HA       ILE   5   4.113  -6.037   7.969
   44    HB   ILE   5           HB       ILE   5   4.375  -4.945   5.162
   45   1HG1  ILE   5          HG12      ILE   5   2.053  -4.707   5.859
   46   2HG1  ILE   5          HG11      ILE   5   2.183  -6.077   4.757
   47   1HG2  ILE   5          HG22      ILE   5   4.379  -7.709   6.380
   48   2HG2  ILE   5          HG21      ILE   5   4.082  -7.428   4.671
   49   3HG2  ILE   5          HG23      ILE   5   5.623  -6.956   5.378
   50   1HD1  ILE   5          HD11      ILE   5   2.474  -7.507   6.930
   51   2HD1  ILE   5          HD13      ILE   5   1.802  -6.097   7.750
   52   3HD1  ILE   5          HD12      ILE   5   0.861  -6.931   6.515
   53    H    GLU   6           HN       GLU   6   6.123  -6.239   8.825
   54    HA   GLU   6           HA       GLU   6   8.258  -4.344   7.957
   55   1HB   GLU   6           HB2      GLU   6   8.169  -6.307  10.271
   56   2HB   GLU   6           HB1      GLU   6   9.445  -5.128   9.961
   57   1HG   GLU   6           HG2      GLU   6   6.556  -4.315  10.295
   58   2HG   GLU   6           HG1      GLU   6   7.668  -4.427  11.659
   59    H    SER   7           HN       SER   7   7.161  -7.384   7.140
   60    HA   SER   7           HA       SER   7   9.745  -8.038   5.889
   61   1HB   SER   7           HB2      SER   7   9.813 -10.318   6.851
   62   2HB   SER   7           HB1      SER   7   9.977  -9.075   8.097
   63    HG   SER   7           HG       SER   7   7.517 -10.285   7.336
   64    H    LYS   8           HN       LYS   8   9.560  -9.754   4.276
   65    HA   LYS   8           HA       LYS   8   7.061  -9.724   2.844
   66   1HB   LYS   8           HB2      LYS   8   9.360 -10.222   1.837
   67   2HB   LYS   8           HB1      LYS   8   9.229 -11.824   2.566
   68   1HG   LYS   8           HG2      LYS   8   6.913 -11.943   1.372
   69   2HG   LYS   8           HG1      LYS   8   7.527 -10.604   0.397
   70   1HD   LYS   8           HD2      LYS   8   8.861 -13.309   0.731
   71   2HD   LYS   8           HD1      LYS   8   7.978 -12.766  -0.697
   72   1HE   LYS   8           HE2      LYS   8  10.567 -11.668   0.408
   73   2HE   LYS   8           HE1      LYS   8  10.284 -12.389  -1.174
   74   1HZ   LYS   8           HZ1      LYS   8   9.027  -9.872  -0.223
   75   2HZ   LYS   8           HZ3      LYS   8  10.394  -9.947  -1.222
   76   3HZ   LYS   8           HZ2      LYS   8   8.906 -10.543  -1.779
   77    H    THR   9           HN       THR   9   8.503 -11.853   5.232
   78    HA   THR   9           HA       THR   9   6.861 -14.119   4.909
   79    HB   THR   9           HB       THR   9   7.852 -12.927   7.506
   80    HG1  THR   9           HG1      THR   9   8.969 -14.777   5.672
   81   1HG2  THR   9          HG21      THR   9   6.777 -15.649   6.758
   82   2HG2  THR   9          HG23      THR   9   7.737 -15.373   8.210
   83   3HG2  THR   9          HG22      THR   9   6.188 -14.559   8.013
   84    H    ALA  10           HN       ALA  10   6.279 -11.228   6.908
   85    HA   ALA  10           HA       ALA  10   3.643 -12.083   7.706
   86   1HB   ALA  10           HB1      ALA  10   5.099  -9.441   7.777
   87   2HB   ALA  10           HB3      ALA  10   3.404  -9.555   8.246
   88   3HB   ALA  10           HB2      ALA  10   4.625 -10.468   9.125
   89    H    PHE  11           HN       PHE  11   4.943 -10.308   4.975
   90    HA   PHE  11           HA       PHE  11   2.568  -9.082   4.012
   91   1HB   PHE  11           HB2      PHE  11   4.922  -8.776   3.096
   92   2HB   PHE  11           HB1      PHE  11   4.765 -10.334   2.325
   93    HD1  PHE  11           HD1      PHE  11   2.798  -7.139   2.639
   94    HD2  PHE  11           HD2      PHE  11   4.069 -10.366   0.098
   95    HE1  PHE  11           HE1      PHE  11   1.660  -6.080   0.713
   96    HE2  PHE  11           HE2      PHE  11   2.923  -9.306  -1.823
   97    HZ   PHE  11           HZ       PHE  11   1.713  -7.163  -1.520
   98    H    GLN  12           HN       GLN  12   3.901 -12.333   3.398
   99    HA   GLN  12           HA       GLN  12   1.809 -13.167   1.609
  100   1HB   GLN  12           HB2      GLN  12   3.497 -14.854   3.496
  101   2HB   GLN  12           HB1      GLN  12   2.598 -15.447   2.102
  102   1HG   GLN  12           HG2      GLN  12   3.988 -13.722   0.734
  103   2HG   GLN  12           HG1      GLN  12   5.050 -13.677   2.149
  104   1HE2  GLN  12          HE22      GLN  12   6.732 -16.433   0.690
  105   2HE2  GLN  12          HE21      GLN  12   6.826 -14.802   1.147
  106    H    GLU  13           HN       GLU  13   2.230 -13.441   5.117
  107    HA   GLU  13           HA       GLU  13  -0.160 -14.922   5.661
  108   1HB   GLU  13           HB2      GLU  13   1.654 -13.151   7.273
  109   2HB   GLU  13           HB1      GLU  13   0.162 -13.730   7.993
  110   1HG   GLU  13           HG2      GLU  13   1.974 -15.265   8.543
  111   2HG   GLU  13           HG1      GLU  13   0.841 -16.063   7.456
  112    H    ALA  14           HN       ALA  14   0.458 -11.431   5.451
  113    HA   ALA  14           HA       ALA  14  -2.145 -10.652   6.381
  114   1HB   ALA  14           HB3      ALA  14  -0.098  -9.150   6.189
  115   2HB   ALA  14           HB2      ALA  14  -0.403  -9.088   4.454
  116   3HB   ALA  14           HB1      ALA  14  -1.599  -8.454   5.583
  117    H    LEU  15           HN       LEU  15  -0.827 -11.289   3.135
  118    HA   LEU  15           HA       LEU  15  -3.148 -10.524   1.670
  119   1HB   LEU  15           HB2      LEU  15  -1.007 -12.604   1.125
  120   2HB   LEU  15           HB1      LEU  15  -2.250 -12.174  -0.051
  121    HG   LEU  15           HG       LEU  15  -0.400 -10.134   1.214
  122   1HD1  LEU  15          HD11      LEU  15  -0.053 -11.818  -1.267
  123   2HD1  LEU  15          HD13      LEU  15   0.718 -10.237  -1.124
  124   3HD1  LEU  15          HD12      LEU  15   1.107 -11.516   0.028
  125   1HD2  LEU  15          HD21      LEU  15  -2.395 -10.119  -1.045
  126   2HD2  LEU  15          HD23      LEU  15  -2.221  -8.974   0.277
  127   3HD2  LEU  15          HD22      LEU  15  -1.062  -8.970  -1.042
  128    H    ASP  16           HN       ASP  16  -2.189 -13.543   3.231
  129    HA   ASP  16           HA       ASP  16  -4.460 -15.083   2.369
  130   1HB   ASP  16           HB2      ASP  16  -2.266 -15.984   3.288
  131   2HB   ASP  16           HB1      ASP  16  -2.843 -15.514   4.886
  132    H    ALA  17           HN       ALA  17  -3.819 -13.054   5.195
  133    HA   ALA  17           HA       ALA  17  -6.165 -13.840   6.655
  134   1HB   ALA  17           HB3      ALA  17  -4.473 -11.327   6.782
  135   2HB   ALA  17           HB2      ALA  17  -5.754 -11.711   7.933
  136   3HB   ALA  17           HB1      ALA  17  -4.333 -12.751   7.816
  137    H    ALA  18           HN       ALA  18  -5.514 -11.296   4.287
  138    HA   ALA  18           HA       ALA  18  -7.966  -9.873   4.559
  139   1HB   ALA  18           HB3      ALA  18  -6.116 -10.300   2.215
  140   2HB   ALA  18           HB2      ALA  18  -7.543  -9.267   2.109
  141   3HB   ALA  18           HB1      ALA  18  -6.249  -8.873   3.241
  142    H    GLY  19           HN       GLY  19  -7.171 -12.827   2.787
  143   1HA   GLY  19           HA2      GLY  19  -8.604 -14.455   1.874
  144   2HA   GLY  19           HA1      GLY  19  -9.931 -13.658   2.724
  145    H    ASP  20           HN       ASP  20 -11.480 -13.087   1.284
  146    HA   ASP  20           HA       ASP  20 -10.738 -12.462  -1.506
  147   1HB   ASP  20           HB2      ASP  20 -13.451 -12.647  -0.170
  148   2HB   ASP  20           HB1      ASP  20 -13.167 -12.476  -1.902
  149    H    LYS  21           HN       LYS  21 -10.826 -10.671   1.253
  150    HA   LYS  21           HA       LYS  21 -12.358  -8.369   0.357
  151   1HB   LYS  21           HB2      LYS  21 -10.225  -8.672   2.495
  152   2HB   LYS  21           HB1      LYS  21 -11.137  -7.189   2.222
  153   1HG   LYS  21           HG2      LYS  21 -13.250  -8.631   2.503
  154   2HG   LYS  21           HG1      LYS  21 -12.176  -9.871   3.154
  155   1HD   LYS  21           HD2      LYS  21 -11.298  -8.039   4.739
  156   2HD   LYS  21           HD1      LYS  21 -12.708  -7.101   4.249
  157   1HE   LYS  21           HE2      LYS  21 -14.150  -9.058   4.927
  158   2HE   LYS  21           HE1      LYS  21 -12.702  -9.819   5.588
  159   1HZ   LYS  21           HZ3      LYS  21 -12.396  -7.796   6.962
  160   2HZ   LYS  21           HZ2      LYS  21 -13.905  -7.235   6.420
  161   3HZ   LYS  21           HZ1      LYS  21 -13.805  -8.662   7.337
  162    H    LEU  22           HN       LEU  22 -11.479  -6.336  -0.417
  163    HA   LEU  22           HA       LEU  22  -9.340  -6.605  -2.285
  164   1HB   LEU  22           HB2      LEU  22 -11.309  -4.727  -1.804
  165   2HB   LEU  22           HB1      LEU  22  -9.884  -3.878  -1.226
  166    HG   LEU  22           HG       LEU  22 -10.321  -5.018  -3.991
  167   1HD1  LEU  22          HD12      LEU  22 -10.680  -2.361  -2.763
  168   2HD1  LEU  22          HD11      LEU  22  -9.612  -2.299  -4.163
  169   3HD1  LEU  22          HD13      LEU  22 -11.237  -2.964  -4.321
  170   1HD2  LEU  22          HD23      LEU  22  -7.844  -3.893  -2.666
  171   2HD2  LEU  22          HD22      LEU  22  -7.999  -5.359  -3.640
  172   3HD2  LEU  22          HD21      LEU  22  -8.064  -3.780  -4.409
  173    H    VAL  23           HN       VAL  23  -7.182  -5.522  -2.077
  174    HA   VAL  23           HA       VAL  23  -6.314  -4.938   0.692
  175    HB   VAL  23           HB       VAL  23  -4.981  -6.992  -1.091
  176   1HG1  VAL  23          HG13      VAL  23  -4.318  -5.801   1.598
  177   2HG1  VAL  23          HG12      VAL  23  -3.651  -7.341   1.069
  178   3HG1  VAL  23          HG11      VAL  23  -3.297  -5.871   0.164
  179   1HG2  VAL  23          HG23      VAL  23  -6.624  -7.223   1.436
  180   2HG2  VAL  23          HG22      VAL  23  -6.963  -7.953  -0.137
  181   3HG2  VAL  23          HG21      VAL  23  -5.594  -8.516   0.820
  182    H    VAL  24           HN       VAL  24  -5.176  -3.123   0.587
  183    HA   VAL  24           HA       VAL  24  -3.802  -2.430  -1.982
  184    HB   VAL  24           HB       VAL  24  -4.730  -0.577   0.237
  185   1HG1  VAL  24          HG12      VAL  24  -2.809   0.198  -1.175
  186   2HG1  VAL  24          HG11      VAL  24  -3.823  -0.012  -2.601
  187   3HG1  VAL  24          HG13      VAL  24  -4.256   1.185  -1.382
  188   1HG2  VAL  24          HG22      VAL  24  -5.997  -1.380  -2.398
  189   2HG2  VAL  24          HG21      VAL  24  -6.695  -1.509  -0.782
  190   3HG2  VAL  24          HG23      VAL  24  -6.457   0.077  -1.516
  191    H    VAL  25           HN       VAL  25  -1.597  -1.931  -1.872
  192    HA   VAL  25           HA       VAL  25  -0.305  -2.114   0.842
  193    HB   VAL  25           HB       VAL  25   0.817  -3.083  -1.804
  194   1HG1  VAL  25          HG11      VAL  25   2.427  -2.370   0.028
  195   2HG1  VAL  25          HG13      VAL  25   1.740  -3.664   1.010
  196   3HG1  VAL  25          HG12      VAL  25   2.576  -4.046  -0.493
  197   1HG2  VAL  25          HG22      VAL  25  -1.172  -4.393  -0.995
  198   2HG2  VAL  25          HG21      VAL  25   0.318  -5.329  -1.037
  199   3HG2  VAL  25          HG23      VAL  25  -0.289  -4.709   0.494
  200    H    ASP  26           HN       ASP  26   0.653  -0.213   1.358
  201    HA   ASP  26           HA       ASP  26   1.408   1.694  -0.822
  202   1HB   ASP  26           HB2      ASP  26   0.012   2.493   1.096
  203   2HB   ASP  26           HB1      ASP  26   1.337   2.106   2.191
  204    H    PHE  27           HN       PHE  27   3.526   1.682  -1.467
  205    HA   PHE  27           HA       PHE  27   5.625   0.555   0.330
  206   1HB   PHE  27           HB2      PHE  27   5.557   1.192  -2.624
  207   2HB   PHE  27           HB1      PHE  27   7.062   0.810  -1.788
  208    HD1  PHE  27           HD1      PHE  27   7.303  -1.407  -0.612
  209    HD2  PHE  27           HD2      PHE  27   4.002  -0.518  -3.214
  210    HE1  PHE  27           HE1      PHE  27   6.819  -3.829  -0.828
  211    HE2  PHE  27           HE2      PHE  27   3.522  -2.933  -3.413
  212    HZ   PHE  27           HZ       PHE  27   4.925  -4.595  -2.232
  213    H    SER  28           HN       SER  28   4.395   3.319   0.616
  214    HA   SER  28           HA       SER  28   6.227   5.290  -0.275
  215   1HB   SER  28           HB2      SER  28   4.590   5.277   2.271
  216   2HB   SER  28           HB1      SER  28   5.337   6.691   1.548
  217    HG   SER  28           HG       SER  28   3.569   5.033   0.103
  218    H    ALA  29           HN       ALA  29   8.006   6.264   0.673
  219    HA   ALA  29           HA       ALA  29   9.552   4.527   2.472
  220   1HB   ALA  29           HB1      ALA  29  10.095   7.010   0.871
  221   2HB   ALA  29           HB3      ALA  29  11.177   6.630   2.213
  222   3HB   ALA  29           HB2      ALA  29  10.974   5.487   0.881
  223    H    THR  30           HN       THR  30   9.536   4.792   4.652
  224    HA   THR  30           HA       THR  30   7.885   6.813   5.864
  225    HB   THR  30           HB       THR  30   8.320   4.658   6.985
  226    HG1  THR  30           HG1      THR  30   8.597   5.528   8.982
  227   1HG2  THR  30          HG22      THR  30  10.785   4.662   6.118
  228   2HG2  THR  30          HG21      THR  30  11.122   5.589   7.580
  229   3HG2  THR  30          HG23      THR  30  10.446   3.967   7.702
  230    H    TRP  31           HN       TRP  31  11.328   6.510   5.154
  231    HA   TRP  31           HA       TRP  31  12.125   8.845   6.680
  232   1HB   TRP  31           HB2      TRP  31  14.224   8.697   5.439
  233   2HB   TRP  31           HB1      TRP  31  13.734   7.103   6.009
  234    HD1  TRP  31           HD1      TRP  31  13.228   5.293   4.251
  235    HE1  TRP  31           HE1      TRP  31  13.437   5.175   1.675
  236    HE3  TRP  31           HE3      TRP  31  13.845  10.234   3.215
  237    HZ2  TRP  31           HZ2      TRP  31  13.792   6.971  -0.532
  238    HZ3  TRP  31           HZ3      TRP  31  14.100  11.013   0.878
  239    HH2  TRP  31           HH2      TRP  31  14.075   9.394  -0.992
  240    H    CYS  32           HN       CYS  32  10.810   8.381   3.454
  241    HA   CYS  32           HA       CYS  32  11.609  11.066   2.568
  242   1HB   CYS  32           HB2      CYS  32  11.217   9.047   1.031
  243   2HB   CYS  32           HB1      CYS  32   9.496   9.272   1.324
  244    H    GLY  33           HN       GLY  33  10.666  12.766   3.486
  245   1HA   GLY  33           HA2      GLY  33   8.288  12.723   5.017
  246   2HA   GLY  33           HA1      GLY  33   9.043  14.183   4.382
  247    HA   PRO  34           HA       PRO  34   6.121  14.803   1.117
  248   1HB   PRO  34           HB2      PRO  34   7.555  13.195  -0.952
  249   2HB   PRO  34           HB1      PRO  34   7.049  14.892  -1.000
  250   1HG   PRO  34           HG2      PRO  34   9.654  14.115  -0.669
  251   2HG   PRO  34           HG1      PRO  34   9.009  15.640  -0.046
  252   1HD   PRO  34           HD2      PRO  34   9.810  13.222   1.445
  253   2HD   PRO  34           HD1      PRO  34   9.594  14.879   2.050
  254    H    ALA  35           HN       ALA  35   7.376  11.463   1.085
  255    HA   ALA  35           HA       ALA  35   4.863  10.339   0.130
  256   1HB   ALA  35           HB3      ALA  35   7.406   9.387   0.192
  257   2HB   ALA  35           HB2      ALA  35   6.777   8.606   1.640
  258   3HB   ALA  35           HB1      ALA  35   6.000   8.333   0.079
  259    H    LYS  36           HN       LYS  36   6.513  10.516   3.298
  260    HA   LYS  36           HA       LYS  36   4.490   9.193   4.814
  261   1HB   LYS  36           HB2      LYS  36   6.776   9.775   5.671
  262   2HB   LYS  36           HB1      LYS  36   6.288  11.468   5.728
  263   1HG   LYS  36           HG2      LYS  36   4.460  10.887   7.294
  264   2HG   LYS  36           HG1      LYS  36   4.971   9.200   7.261
  265   1HD   LYS  36           HD2      LYS  36   7.184   9.861   8.158
  266   2HD   LYS  36           HD1      LYS  36   6.655  11.543   8.214
  267   1HE   LYS  36           HE2      LYS  36   6.363  10.647  10.428
  268   2HE   LYS  36           HE1      LYS  36   4.753  10.788   9.719
  269   1HZ   LYS  36           HZ2      LYS  36   5.930   8.280   9.091
  270   2HZ   LYS  36           HZ1      LYS  36   5.897   8.522  10.771
  271   3HZ   LYS  36           HZ3      LYS  36   4.462   8.611   9.877
  272    H    MET  37           HN       MET  37   4.759  12.443   3.572
  273    HA   MET  37           HA       MET  37   2.784  13.743   5.139
  274   1HB   MET  37           HB2      MET  37   4.371  14.846   3.526
  275   2HB   MET  37           HB1      MET  37   3.376  14.229   2.208
  276   1HG   MET  37           HG2      MET  37   2.644  16.478   2.658
  277   2HG   MET  37           HG1      MET  37   1.398  15.396   3.274
  278   1HE   MET  37           HE3      MET  37   2.014  18.451   3.909
  279   2HE   MET  37           HE2      MET  37   0.598  17.629   4.559
  280   3HE   MET  37           HE1      MET  37   1.646  18.549   5.637
  281    H    ILE  38           HN       ILE  38   2.496  11.547   2.411
  282    HA   ILE  38           HA       ILE  38  -0.348  12.117   2.000
  283    HB   ILE  38           HB       ILE  38   1.089   9.683   0.919
  284   1HG1  ILE  38          HG12      ILE  38   1.255  12.525  -0.135
  285   2HG1  ILE  38          HG11      ILE  38   2.594  11.606   0.563
  286   1HG2  ILE  38          HG22      ILE  38  -1.420  10.197   0.551
  287   2HG2  ILE  38          HG21      ILE  38  -0.879  11.537  -0.450
  288   3HG2  ILE  38          HG23      ILE  38  -0.453   9.884  -0.884
  289   1HD1  ILE  38          HD13      ILE  38   2.053   9.826  -1.231
  290   2HD1  ILE  38          HD12      ILE  38   1.117  11.097  -2.012
  291   3HD1  ILE  38          HD11      ILE  38   2.851  11.304  -1.763
  292    H    LYS  39           HN       LYS  39   1.301  10.287   4.346
  293    HA   LYS  39           HA       LYS  39  -0.267   7.938   4.295
  294   1HB   LYS  39           HB2      LYS  39   0.517   7.358   6.413
  295   2HB   LYS  39           HB1      LYS  39   1.810   8.323   5.731
  296   1HG   LYS  39           HG2      LYS  39   1.358  10.161   7.144
  297   2HG   LYS  39           HG1      LYS  39  -0.266   9.603   7.539
  298   1HD   LYS  39           HD2      LYS  39   2.297   8.208   8.351
  299   2HD   LYS  39           HD1      LYS  39   1.344   9.262   9.396
  300   1HE   LYS  39           HE2      LYS  39   0.348   7.296  10.034
  301   2HE   LYS  39           HE1      LYS  39  -0.590   7.506   8.559
  302   1HZ   LYS  39           HZ2      LYS  39   1.977   6.272   8.133
  303   2HZ   LYS  39           HZ1      LYS  39   0.956   5.368   9.146
  304   3HZ   LYS  39           HZ3      LYS  39   0.437   5.798   7.590
  305    HA   PRO  40           HA       PRO  40  -3.321  10.164   7.386
  306   1HB   PRO  40           HB2      PRO  40  -3.754  12.616   5.735
  307   2HB   PRO  40           HB1      PRO  40  -3.671  12.447   7.500
  308   1HG   PRO  40           HG2      PRO  40  -1.665  13.585   6.129
  309   2HG   PRO  40           HG1      PRO  40  -1.339  12.548   7.527
  310   1HD   PRO  40           HD2      PRO  40  -1.084  11.915   4.621
  311   2HD   PRO  40           HD1      PRO  40  -0.034  11.402   5.956
  312    H    PHE  41           HN       PHE  41  -3.425  10.738   3.849
  313    HA   PHE  41           HA       PHE  41  -6.272  10.181   3.649
  314   1HB   PHE  41           HB2      PHE  41  -4.041  10.071   1.589
  315   2HB   PHE  41           HB1      PHE  41  -5.748   9.898   1.215
  316    HD1  PHE  41           HD2      PHE  41  -3.274  12.202   2.738
  317    HD2  PHE  41           HD1      PHE  41  -7.130  11.781   0.908
  318    HE1  PHE  41           HE2      PHE  41  -3.478  14.667   2.617
  319    HE2  PHE  41           HE1      PHE  41  -7.343  14.250   0.783
  320    HZ   PHE  41           HZ       PHE  41  -5.514  15.693   1.637
  321    H    PHE  42           HN       PHE  42  -3.339   8.286   2.857
  322    HA   PHE  42           HA       PHE  42  -4.674   5.872   2.163
  323   1HB   PHE  42           HB2      PHE  42  -2.276   6.311   1.726
  324   2HB   PHE  42           HB1      PHE  42  -1.947   6.276   3.462
  325    HD1  PHE  42           HD1      PHE  42  -3.173   4.231   0.600
  326    HD2  PHE  42           HD2      PHE  42  -1.664   4.223   4.624
  327    HE1  PHE  42           HE1      PHE  42  -3.000   1.759   0.535
  328    HE2  PHE  42           HE2      PHE  42  -1.488   1.750   4.553
  329    HZ   PHE  42           HZ       PHE  42  -2.164   0.514   2.510
  330    H    HIS  43           HN       HIS  43  -3.364   6.968   5.281
  331    HA   HIS  43           HA       HIS  43  -4.290   4.708   6.812
  332   1HB   HIS  43           HB2      HIS  43  -2.450   6.167   7.541
  333   2HB   HIS  43           HB1      HIS  43  -3.558   7.529   7.655
  334    HD1  HIS  43           HD1      HIS  43  -2.436   4.483   9.438
  335    HD2  HIS  43           HD2      HIS  43  -5.428   7.340   9.831
  336    HE1  HIS  43           HE1      HIS  43  -3.451   4.139  11.732
  337    H    SER  44           HN       SER  44  -5.640   7.955   6.191
  338    HA   SER  44           HA       SER  44  -7.859   7.690   7.963
  339   1HB   SER  44           HB2      SER  44  -7.547   9.380   5.472
  340   2HB   SER  44           HB1      SER  44  -8.938   9.471   6.542
  341    HG   SER  44           HG       SER  44  -7.524  10.973   7.295
  342    H    LEU  45           HN       LEU  45  -7.420   6.752   4.573
  343    HA   LEU  45           HA       LEU  45 -10.145   6.128   4.007
  344   1HB   LEU  45           HB2      LEU  45  -7.576   5.031   2.880
  345   2HB   LEU  45           HB1      LEU  45  -9.146   4.529   2.283
  346    HG   LEU  45           HG       LEU  45  -8.296   7.433   2.432
  347   1HD1  LEU  45          HD11      LEU  45  -8.134   5.495   0.101
  348   2HD1  LEU  45          HD13      LEU  45  -7.874   7.236  -0.012
  349   3HD1  LEU  45          HD12      LEU  45  -6.771   6.240   0.935
  350   1HD2  LEU  45          HD22      LEU  45 -10.671   5.940   1.345
  351   2HD2  LEU  45          HD21      LEU  45 -10.608   7.476   2.204
  352   3HD2  LEU  45          HD23      LEU  45 -10.140   7.398   0.510
  353    H    SER  46           HN       SER  46  -7.707   4.324   5.768
  354    HA   SER  46           HA       SER  46  -8.734   1.726   5.589
  355   1HB   SER  46           HB2      SER  46  -7.642   3.105   8.060
  356   2HB   SER  46           HB1      SER  46  -7.827   1.366   7.875
  357    HG   SER  46           HG       SER  46  -6.323   2.986   6.089
  358    H    GLU  47           HN       GLU  47  -9.894   4.441   7.559
  359    HA   GLU  47           HA       GLU  47 -12.018   2.765   8.733
  360   1HB   GLU  47           HB2      GLU  47 -11.339   5.718   8.967
  361   2HB   GLU  47           HB1      GLU  47 -12.721   4.972   9.767
  362   1HG   GLU  47           HG2      GLU  47 -10.953   4.993  11.379
  363   2HG   GLU  47           HG1      GLU  47 -11.075   3.328  10.812
  364    H    LYS  48           HN       LYS  48 -11.580   4.716   5.887
  365    HA   LYS  48           HA       LYS  48 -14.425   5.391   5.622
  366   1HB   LYS  48           HB2      LYS  48 -12.622   6.783   4.528
  367   2HB   LYS  48           HB1      LYS  48 -12.315   5.427   3.436
  368   1HG   LYS  48           HG2      LYS  48 -14.735   5.492   2.755
  369   2HG   LYS  48           HG1      LYS  48 -14.933   6.936   3.741
  370   1HD   LYS  48           HD2      LYS  48 -12.810   6.818   1.605
  371   2HD   LYS  48           HD1      LYS  48 -14.471   7.233   1.200
  372   1HE   LYS  48           HE2      LYS  48 -14.398   9.057   2.896
  373   2HE   LYS  48           HE1      LYS  48 -12.700   8.678   3.190
  374   1HZ   LYS  48           HZ1      LYS  48 -12.996   8.906   0.449
  375   2HZ   LYS  48           HZ3      LYS  48 -13.840  10.216   1.115
  376   3HZ   LYS  48           HZ2      LYS  48 -12.202   9.982   1.495
  377    H    TYR  49           HN       TYR  49 -12.168   2.978   4.440
  378    HA   TYR  49           HA       TYR  49 -14.508   1.380   3.407
  379   1HB   TYR  49           HB2      TYR  49 -11.629   1.485   2.411
  380   2HB   TYR  49           HB1      TYR  49 -12.822   0.305   1.865
  381    HD1  TYR  49           HD2      TYR  49 -15.075   1.279   0.945
  382    HD2  TYR  49           HD1      TYR  49 -11.450   3.559   1.312
  383    HE1  TYR  49           HE2      TYR  49 -15.941   2.921  -0.698
  384    HE2  TYR  49           HE1      TYR  49 -12.320   5.198  -0.331
  385    HH   TYR  49           HH       TYR  49 -15.395   4.675  -2.010
  386    H    SER  50           HN       SER  50 -14.359   0.973   5.883
  387    HA   SER  50           HA       SER  50 -12.224  -0.571   6.974
  388   1HB   SER  50           HB2      SER  50 -13.689  -0.998   8.802
  389   2HB   SER  50           HB1      SER  50 -14.108   0.605   8.234
  390    HG   SER  50           HG       SER  50 -15.833  -0.319   7.082
  391    H    ASN  51           HN       ASN  51 -14.420  -1.298   4.562
  392    HA   ASN  51           HA       ASN  51 -14.535  -4.196   5.133
  393   1HB   ASN  51           HB2      ASN  51 -16.492  -2.915   4.163
  394   2HB   ASN  51           HB1      ASN  51 -15.536  -2.714   2.696
  395   1HD2  ASN  51          HD22      ASN  51 -16.380  -5.907   1.511
  396   2HD2  ASN  51          HD21      ASN  51 -15.854  -4.330   1.171
  397    H    VAL  52           HN       VAL  52 -12.249  -2.200   4.038
  398    HA   VAL  52           HA       VAL  52 -11.123  -4.214   2.132
  399    HB   VAL  52           HB       VAL  52 -10.977  -1.183   2.053
  400   1HG1  VAL  52          HG12      VAL  52  -9.165  -3.270   0.882
  401   2HG1  VAL  52          HG11      VAL  52  -9.542  -1.859  -0.110
  402   3HG1  VAL  52          HG13      VAL  52  -8.782  -1.656   1.466
  403   1HG2  VAL  52          HG23      VAL  52 -11.969  -3.307   0.128
  404   2HG2  VAL  52          HG22      VAL  52 -12.936  -2.087   0.952
  405   3HG2  VAL  52          HG21      VAL  52 -11.793  -1.605  -0.301
  406    H    ILE  53           HN       ILE  53  -8.849  -4.626   2.464
  407    HA   ILE  53           HA       ILE  53  -7.908  -3.766   5.177
  408    HB   ILE  53           HB       ILE  53  -6.675  -5.855   3.360
  409   1HG1  ILE  53          HG12      ILE  53  -8.981  -6.513   3.733
  410   2HG1  ILE  53          HG11      ILE  53  -7.951  -7.502   4.763
  411   1HG2  ILE  53          HG22      ILE  53  -5.498  -4.786   5.468
  412   2HG2  ILE  53          HG21      ILE  53  -6.595  -5.815   6.379
  413   3HG2  ILE  53          HG23      ILE  53  -5.454  -6.530   5.243
  414   1HD1  ILE  53          HD12      ILE  53  -8.410  -5.659   6.569
  415   2HD1  ILE  53          HD11      ILE  53  -9.775  -5.238   5.541
  416   3HD1  ILE  53          HD13      ILE  53  -9.660  -6.853   6.231
  417    H    PHE  54           HN       PHE  54  -6.399  -2.158   5.287
  418    HA   PHE  54           HA       PHE  54  -4.815  -1.499   2.829
  419   1HB   PHE  54           HB2      PHE  54  -5.453   0.103   5.321
  420   2HB   PHE  54           HB1      PHE  54  -4.320   0.641   4.084
  421    HD1  PHE  54           HD1      PHE  54  -7.854  -0.460   4.589
  422    HD2  PHE  54           HD2      PHE  54  -5.107   1.743   2.146
  423    HE1  PHE  54           HE1      PHE  54  -9.745   0.452   3.276
  424    HE2  PHE  54           HE2      PHE  54  -6.995   2.648   0.818
  425    HZ   PHE  54           HZ       PHE  54  -9.316   1.998   1.386
  426    H    LEU  55           HN       LEU  55  -2.665  -2.012   2.809
  427    HA   LEU  55           HA       LEU  55  -1.291  -2.618   5.408
  428   1HB   LEU  55           HB2      LEU  55  -0.693  -3.675   2.626
  429   2HB   LEU  55           HB1      LEU  55   0.395  -3.886   3.994
  430    HG   LEU  55           HG       LEU  55  -1.306  -5.167   5.190
  431   1HD1  LEU  55          HD13      LEU  55  -3.057  -4.284   2.913
  432   2HD1  LEU  55          HD12      LEU  55  -3.380  -5.830   3.706
  433   3HD1  LEU  55          HD11      LEU  55  -3.390  -4.350   4.642
  434   1HD2  LEU  55          HD21      LEU  55  -0.754  -6.011   2.339
  435   2HD2  LEU  55          HD23      LEU  55   0.072  -6.525   3.809
  436   3HD2  LEU  55          HD22      LEU  55  -1.573  -7.069   3.481
  437    H    GLU  56           HN       GLU  56   0.649  -1.614   5.843
  438    HA   GLU  56           HA       GLU  56   1.551   0.484   3.894
  439   1HB   GLU  56           HB2      GLU  56   0.726   1.308   6.135
  440   2HB   GLU  56           HB1      GLU  56   2.040   0.401   6.889
  441   1HG   GLU  56           HG2      GLU  56   3.660   1.668   5.454
  442   2HG   GLU  56           HG1      GLU  56   2.313   2.658   4.879
  443    H    VAL  57           HN       VAL  57   3.627   0.232   3.124
  444    HA   VAL  57           HA       VAL  57   5.373  -1.805   4.488
  445    HB   VAL  57           HB       VAL  57   5.091  -1.376   1.498
  446   1HG1  VAL  57          HG13      VAL  57   6.618  -3.354   3.202
  447   2HG1  VAL  57          HG12      VAL  57   6.384  -3.536   1.466
  448   3HG1  VAL  57          HG11      VAL  57   7.303  -2.165   2.093
  449   1HG2  VAL  57          HG21      VAL  57   4.034  -3.546   3.335
  450   2HG2  VAL  57          HG23      VAL  57   3.071  -2.392   2.412
  451   3HG2  VAL  57          HG22      VAL  57   4.012  -3.626   1.572
  452    H    ASP  58           HN       ASP  58   7.463  -1.180   4.811
  453    HA   ASP  58           HA       ASP  58   8.305   1.539   3.919
  454   1HB   ASP  58           HB2      ASP  58   8.438   0.800   6.355
  455   2HB   ASP  58           HB1      ASP  58   9.697  -0.332   5.833
  456    H    VAL  59           HN       VAL  59   9.619   1.613   2.121
  457    HA   VAL  59           HA       VAL  59  10.762  -0.788   0.974
  458    HB   VAL  59           HB       VAL  59  12.001   0.768  -0.483
  459   1HG1  VAL  59          HG13      VAL  59   9.618   0.285  -0.947
  460   2HG1  VAL  59          HG12      VAL  59   9.159   1.660   0.057
  461   3HG1  VAL  59          HG11      VAL  59  10.049   1.922  -1.440
  462   1HG2  VAL  59          HG21      VAL  59  11.014   2.816   1.508
  463   2HG2  VAL  59          HG23      VAL  59  12.675   2.480   1.020
  464   3HG2  VAL  59          HG22      VAL  59  11.566   3.250  -0.112
  465    H    ASP  60           HN       ASP  60  11.722   1.377   3.482
  466    HA   ASP  60           HA       ASP  60  14.570   0.581   3.303
  467   1HB   ASP  60           HB2      ASP  60  12.978   2.556   4.913
  468   2HB   ASP  60           HB1      ASP  60  14.610   2.134   5.397
  469    H    ASP  61           HN       ASP  61  11.838   0.152   5.613
  470    HA   ASP  61           HA       ASP  61  13.585  -1.653   7.236
  471   1HB   ASP  61           HB2      ASP  61  10.737  -0.721   7.755
  472   2HB   ASP  61           HB1      ASP  61  11.723  -1.681   8.847
  473    H    ALA  62           HN       ALA  62  11.224  -1.717   4.790
  474    HA   ALA  62           HA       ALA  62  10.878  -4.673   5.114
  475   1HB   ALA  62           HB2      ALA  62   8.822  -3.038   5.443
  476   2HB   ALA  62           HB1      ALA  62   8.841  -2.982   3.680
  477   3HB   ALA  62           HB3      ALA  62   8.629  -4.522   4.512
  478    H    GLN  63           HN       GLN  63  12.994  -3.382   3.769
  479    HA   GLN  63           HA       GLN  63  12.606  -2.955   0.995
  480   1HB   GLN  63           HB2      GLN  63  15.011  -3.243   0.790
  481   2HB   GLN  63           HB1      GLN  63  14.675  -2.389   2.297
  482   1HG   GLN  63           HG2      GLN  63  14.723  -4.654   3.458
  483   2HG   GLN  63           HG1      GLN  63  15.367  -5.315   1.953
  484   1HE2  GLN  63          HE22      GLN  63  18.574  -4.508   3.260
  485   2HE2  GLN  63          HE21      GLN  63  17.508  -5.757   2.823
  486    H    ASP  64           HN       ASP  64  12.615  -5.885   2.826
  487    HA   ASP  64           HA       ASP  64  13.408  -7.688   0.753
  488   1HB   ASP  64           HB2      ASP  64  12.119  -9.376   2.136
  489   2HB   ASP  64           HB1      ASP  64  13.333  -8.466   3.031
  490    H    VAL  65           HN       VAL  65  10.298  -6.222   1.631
  491    HA   VAL  65           HA       VAL  65   8.767  -7.782  -0.266
  492    HB   VAL  65           HB       VAL  65   8.060  -5.031   0.790
  493   1HG1  VAL  65          HG13      VAL  65   6.730  -6.178  -1.085
  494   2HG1  VAL  65          HG12      VAL  65   6.233  -7.344   0.139
  495   3HG1  VAL  65          HG11      VAL  65   5.814  -5.641   0.322
  496   1HG2  VAL  65          HG22      VAL  65   7.956  -7.726   2.134
  497   2HG2  VAL  65          HG21      VAL  65   8.473  -6.178   2.798
  498   3HG2  VAL  65          HG23      VAL  65   6.760  -6.497   2.536
  499    H    ALA  66           HN       ALA  66  10.262  -4.571  -0.248
  500    HA   ALA  66           HA       ALA  66   9.350  -3.798  -2.856
  501   1HB   ALA  66           HB2      ALA  66  11.607  -2.854  -1.093
  502   2HB   ALA  66           HB1      ALA  66  11.324  -2.175  -2.690
  503   3HB   ALA  66           HB3      ALA  66  10.084  -2.041  -1.447
  504    H    SER  67           HN       SER  67  12.353  -5.365  -1.735
  505    HA   SER  67           HA       SER  67  13.710  -5.233  -4.231
  506   1HB   SER  67           HB2      SER  67  15.077  -7.071  -3.397
  507   2HB   SER  67           HB1      SER  67  14.750  -5.951  -2.081
  508    HG   SER  67           HG       SER  67  13.079  -7.339  -1.406
  509    H    GLU  68           HN       GLU  68  11.403  -7.640  -2.991
  510    HA   GLU  68           HA       GLU  68  11.629  -9.418  -5.237
  511   1HB   GLU  68           HB2      GLU  68  10.629 -10.029  -3.028
  512   2HB   GLU  68           HB1      GLU  68   9.241  -9.012  -3.404
  513   1HG   GLU  68           HG2      GLU  68  10.141 -11.303  -5.174
  514   2HG   GLU  68           HG1      GLU  68   8.945 -11.492  -3.895
  515    H    ALA  69           HN       ALA  69   9.541  -6.630  -4.550
  516    HA   ALA  69           HA       ALA  69   8.106  -6.957  -7.089
  517   1HB   ALA  69           HB1      ALA  69   8.023  -4.880  -4.894
  518   2HB   ALA  69           HB3      ALA  69   7.078  -4.730  -6.377
  519   3HB   ALA  69           HB2      ALA  69   6.803  -6.092  -5.289
  520    H    GLU  70           HN       GLU  70  11.123  -5.696  -6.297
  521    HA   GLU  70           HA       GLU  70  12.573  -4.239  -7.433
  522   1HB   GLU  70           HB2      GLU  70  10.731  -4.875  -9.757
  523   2HB   GLU  70           HB1      GLU  70  12.314  -4.120  -9.887
  524   1HG   GLU  70           HG2      GLU  70  11.819  -6.856  -8.702
  525   2HG   GLU  70           HG1      GLU  70  12.372  -6.554 -10.347
  526    H    VAL  71           HN       VAL  71  10.765  -2.798  -5.951
  527    HA   VAL  71           HA       VAL  71   9.179  -0.989  -7.518
  528    HB   VAL  71           HB       VAL  71  10.472  -0.469  -4.813
  529   1HG1  VAL  71          HG13      VAL  71   8.102   0.743  -6.279
  530   2HG1  VAL  71          HG12      VAL  71   8.483   1.062  -4.589
  531   3HG1  VAL  71          HG11      VAL  71   9.609   1.554  -5.860
  532   1HG2  VAL  71          HG22      VAL  71   9.059  -2.573  -4.953
  533   2HG2  VAL  71          HG21      VAL  71   8.407  -1.356  -3.856
  534   3HG2  VAL  71          HG23      VAL  71   7.705  -1.567  -5.458
  535    H    LYS  72           HN       LYS  72   9.805   0.735  -8.709
  536    HA   LYS  72           HA       LYS  72  12.681   1.467  -8.681
  537   1HB   LYS  72           HB2      LYS  72  10.534   1.985 -10.740
  538   2HB   LYS  72           HB1      LYS  72  12.228   2.435 -10.909
  539   1HG   LYS  72           HG2      LYS  72  11.346  -0.443 -10.438
  540   2HG   LYS  72           HG1      LYS  72  11.538   0.247 -12.050
  541   1HD   LYS  72           HD2      LYS  72  13.919   0.900 -11.307
  542   2HD   LYS  72           HD1      LYS  72  13.665  -0.191  -9.945
  543   1HE   LYS  72           HE2      LYS  72  13.443  -0.942 -12.874
  544   2HE   LYS  72           HE1      LYS  72  14.772  -1.373 -11.799
  545   1HZ   LYS  72           HZ2      LYS  72  13.091  -2.486 -10.367
  546   2HZ   LYS  72           HZ1      LYS  72  11.940  -2.223 -11.586
  547   3HZ   LYS  72           HZ3      LYS  72  13.285  -3.205 -11.893
  548    H    ALA  73           HN       ALA  73   9.671   2.687  -7.603
  549    HA   ALA  73           HA       ALA  73  10.962   5.201  -6.866
  550   1HB   ALA  73           HB1      ALA  73   9.005   5.070  -9.125
  551   2HB   ALA  73           HB3      ALA  73   8.942   6.470  -8.050
  552   3HB   ALA  73           HB2      ALA  73  10.426   6.101  -8.932
  553    H    THR  74           HN       THR  74   9.668   6.471  -5.385
  554    HA   THR  74           HA       THR  74   7.234   5.096  -4.312
  555    HB   THR  74           HB       THR  74   7.975   5.552  -2.039
  556    HG1  THR  74           HG1      THR  74  10.107   6.540  -1.831
  557   1HG2  THR  74          HG21      THR  74  10.162   4.388  -3.734
  558   2HG2  THR  74          HG23      THR  74  10.196   4.369  -1.977
  559   3HG2  THR  74          HG22      THR  74   8.917   3.520  -2.849
  560    HA   PRO  75           HA       PRO  75   5.846   5.707  -2.533
  561   1HB   PRO  75           HB2      PRO  75   3.246   6.643  -2.545
  562   2HB   PRO  75           HB1      PRO  75   4.473   7.120  -1.364
  563   1HG   PRO  75           HG2      PRO  75   3.365   8.671  -3.634
  564   2HG   PRO  75           HG1      PRO  75   4.110   9.250  -2.137
  565   1HD   PRO  75           HD2      PRO  75   5.344   9.157  -4.699
  566   2HD   PRO  75           HD1      PRO  75   6.163   9.476  -3.144
  567    H    THR  76           HN       THR  76   4.887   3.833  -3.225
  568    HA   THR  76           HA       THR  76   3.501   3.842  -5.883
  569    HB   THR  76           HB       THR  76   5.412   1.719  -4.867
  570    HG1  THR  76           HG1      THR  76   6.006   3.953  -5.929
  571   1HG2  THR  76          HG23      THR  76   3.722   1.985  -7.357
  572   2HG2  THR  76          HG22      THR  76   5.091   0.878  -7.250
  573   3HG2  THR  76          HG21      THR  76   3.709   0.677  -6.177
  574    H    PHE  77           HN       PHE  77   1.607   2.752  -5.859
  575    HA   PHE  77           HA       PHE  77   0.872   1.265  -3.354
  576   1HB   PHE  77           HB2      PHE  77  -0.896   2.712  -5.357
  577   2HB   PHE  77           HB1      PHE  77  -1.458   1.874  -3.907
  578    HD1  PHE  77           HD1      PHE  77  -0.835   2.733  -1.633
  579    HD2  PHE  77           HD2      PHE  77   0.164   4.850  -5.238
  580    HE1  PHE  77           HE1      PHE  77  -0.359   4.780  -0.307
  581    HE2  PHE  77           HE2      PHE  77   0.639   6.895  -3.912
  582    HZ   PHE  77           HZ       PHE  77   0.377   6.855  -1.443
  583    H    GLN  78           HN       GLN  78   0.353  -0.868  -3.596
  584    HA   GLN  78           HA       GLN  78  -0.120  -1.908  -6.380
  585   1HB   GLN  78           HB2      GLN  78   1.331  -3.203  -4.062
  586   2HB   GLN  78           HB1      GLN  78   0.837  -4.075  -5.511
  587   1HG   GLN  78           HG2      GLN  78   2.144  -2.366  -6.855
  588   2HG   GLN  78           HG1      GLN  78   2.790  -1.765  -5.324
  589   1HE2  GLN  78          HE22      GLN  78   5.379  -4.157  -5.903
  590   2HE2  GLN  78          HE21      GLN  78   4.985  -2.509  -5.971
  591    H    PHE  79           HN       PHE  79  -1.819  -3.270  -6.615
  592    HA   PHE  79           HA       PHE  79  -3.621  -3.565  -4.238
  593   1HB   PHE  79           HB2      PHE  79  -4.175  -3.501  -7.215
  594   2HB   PHE  79           HB1      PHE  79  -5.397  -3.852  -5.986
  595    HD1  PHE  79           HD2      PHE  79  -2.979  -1.291  -7.177
  596    HD2  PHE  79           HD1      PHE  79  -6.314  -2.132  -4.609
  597    HE1  PHE  79           HE2      PHE  79  -3.214   1.124  -6.685
  598    HE2  PHE  79           HE1      PHE  79  -6.549   0.281  -4.121
  599    HZ   PHE  79           HZ       PHE  79  -5.002   1.914  -5.159
  600    H    PHE  80           HN       PHE  80  -4.181  -5.523  -3.550
  601    HA   PHE  80           HA       PHE  80  -3.484  -7.904  -5.202
  602   1HB   PHE  80           HB2      PHE  80  -2.987  -7.430  -2.265
  603   2HB   PHE  80           HB1      PHE  80  -2.974  -9.037  -2.986
  604    HD1  PHE  80           HD2      PHE  80  -1.256  -5.751  -2.871
  605    HD2  PHE  80           HD1      PHE  80  -1.202  -9.743  -4.470
  606    HE1  PHE  80           HE2      PHE  80   1.091  -5.443  -3.585
  607    HE2  PHE  80           HE1      PHE  80   1.150  -9.421  -5.187
  608    HZ   PHE  80           HZ       PHE  80   2.297  -7.268  -4.745
  609    H    LYS  81           HN       LYS  81  -4.963  -9.654  -5.029
  610    HA   LYS  81           HA       LYS  81  -7.246  -9.365  -3.166
  611   1HB   LYS  81           HB2      LYS  81  -7.743  -8.120  -5.379
  612   2HB   LYS  81           HB1      LYS  81  -7.787  -9.722  -6.122
  613   1HG   LYS  81           HG2      LYS  81  -9.491 -10.393  -4.412
  614   2HG   LYS  81           HG1      LYS  81  -9.521  -8.726  -3.850
  615   1HD   LYS  81           HD2      LYS  81 -10.040  -8.059  -6.249
  616   2HD   LYS  81           HD1      LYS  81 -10.309  -9.772  -6.571
  617   1HE   LYS  81           HE2      LYS  81 -12.017  -9.836  -4.788
  618   2HE   LYS  81           HE1      LYS  81 -11.754  -8.118  -4.483
  619   1HZ   LYS  81           HZ2      LYS  81 -12.508  -9.184  -7.140
  620   2HZ   LYS  81           HZ1      LYS  81 -13.653  -8.665  -5.997
  621   3HZ   LYS  81           HZ3      LYS  81 -12.523  -7.567  -6.624
  622    H    LYS  82           HN       LYS  82  -7.602 -11.392  -2.362
  623    HA   LYS  82           HA       LYS  82  -7.520 -13.733  -2.175
  624   1HB   LYS  82           HB2      LYS  82  -7.687 -13.610  -5.218
  625   2HB   LYS  82           HB1      LYS  82  -7.841 -15.073  -4.264
  626   1HG   LYS  82           HG2      LYS  82  -9.746 -13.891  -3.031
  627   2HG   LYS  82           HG1      LYS  82  -9.696 -12.692  -4.319
  628   1HD   LYS  82           HD2      LYS  82  -9.952 -14.582  -5.979
  629   2HD   LYS  82           HD1      LYS  82 -10.225 -15.661  -4.608
  630   1HE   LYS  82           HE2      LYS  82 -12.146 -14.258  -3.906
  631   2HE   LYS  82           HE1      LYS  82 -11.884 -13.218  -5.304
  632   1HZ   LYS  82           HZ2      LYS  82 -11.973 -15.671  -6.411
  633   2HZ   LYS  82           HZ1      LYS  82 -13.105 -15.826  -5.152
  634   3HZ   LYS  82           HZ3      LYS  82 -13.292 -14.606  -6.316
  635    H    GLY  83           HN       GLY  83  -5.087 -12.075  -2.407
  636   1HA   GLY  83           HA2      GLY  83  -2.787 -12.559  -2.275
  637   2HA   GLY  83           HA1      GLY  83  -3.157 -14.233  -2.693
  638    H    GLN  84           HN       GLN  84  -4.527 -11.926  -4.827
  639    HA   GLN  84           HA       GLN  84  -2.375 -12.493  -6.838
  640   1HB   GLN  84           HB2      GLN  84  -5.308 -11.942  -7.318
  641   2HB   GLN  84           HB1      GLN  84  -4.115 -12.332  -8.547
  642   1HG   GLN  84           HG2      GLN  84  -4.872 -14.166  -6.257
  643   2HG   GLN  84           HG1      GLN  84  -5.517 -14.290  -7.890
  644   1HE2  GLN  84          HE21      GLN  84  -2.356 -14.228  -6.179
  645   2HE2  GLN  84          HE22      GLN  84  -1.591 -15.315  -7.236
  646    H    LYS  85           HN       LYS  85  -1.441 -10.786  -7.870
  647    HA   LYS  85           HA       LYS  85  -2.091  -8.053  -7.006
  648   1HB   LYS  85           HB2      LYS  85   0.240  -8.827  -7.466
  649   2HB   LYS  85           HB1      LYS  85  -0.192  -9.014  -9.165
  650   1HG   LYS  85           HG2      LYS  85  -0.816  -6.604  -9.240
  651   2HG   LYS  85           HG1      LYS  85  -0.272  -6.438  -7.573
  652   1HD   LYS  85           HD2      LYS  85   1.985  -7.247  -8.277
  653   2HD   LYS  85           HD1      LYS  85   1.420  -7.262  -9.948
  654   1HE   LYS  85           HE2      LYS  85   1.339  -4.808  -8.176
  655   2HE   LYS  85           HE1      LYS  85   2.648  -5.156  -9.304
  656   1HZ   LYS  85           HZ3      LYS  85   0.294  -5.487 -10.712
  657   2HZ   LYS  85           HZ2      LYS  85   0.100  -4.050  -9.827
  658   3HZ   LYS  85           HZ1      LYS  85   1.421  -4.232 -10.879
  659    H    VAL  86           HN       VAL  86  -3.625  -6.814  -8.003
  660    HA   VAL  86           HA       VAL  86  -4.323  -7.458 -10.850
  661    HB   VAL  86           HB       VAL  86  -6.644  -6.771 -10.286
  662   1HG1  VAL  86          HG13      VAL  86  -5.717  -9.184 -10.123
  663   2HG1  VAL  86          HG12      VAL  86  -5.754  -8.944  -8.377
  664   3HG1  VAL  86          HG11      VAL  86  -7.246  -8.848  -9.313
  665   1HG2  VAL  86          HG22      VAL  86  -6.045  -5.349  -8.329
  666   2HG2  VAL  86          HG21      VAL  86  -7.278  -6.547  -7.926
  667   3HG2  VAL  86          HG23      VAL  86  -5.602  -6.803  -7.435
  668    H    GLY  87           HN       GLY  87  -2.745  -5.145  -9.154
  669   1HA   GLY  87           HA2      GLY  87  -3.070  -3.184 -11.209
  670   2HA   GLY  87           HA1      GLY  87  -4.109  -2.736  -9.864
  671    H    GLU  88           HN       GLU  88  -1.870  -1.245 -10.831
  672    HA   GLU  88           HA       GLU  88  -0.539  -0.728  -8.322
  673   1HB   GLU  88           HB2      GLU  88   0.923  -2.545  -8.907
  674   2HB   GLU  88           HB1      GLU  88   1.075  -1.967 -10.563
  675   1HG   GLU  88           HG2      GLU  88   2.312  -0.009  -9.822
  676   2HG   GLU  88           HG1      GLU  88   2.008  -0.404  -8.131
  677    H    PHE  89           HN       PHE  89   0.522   1.276  -8.335
  678    HA   PHE  89           HA       PHE  89   0.992   2.700 -10.812
  679   1HB   PHE  89           HB2      PHE  89  -0.710   4.328 -10.769
  680   2HB   PHE  89           HB1      PHE  89  -1.553   2.810 -10.483
  681    HD1  PHE  89           HD1      PHE  89  -0.086   5.777  -8.772
  682    HD2  PHE  89           HD2      PHE  89  -2.826   2.489  -8.509
  683    HE1  PHE  89           HE1      PHE  89  -1.017   6.726  -6.676
  684    HE2  PHE  89           HE2      PHE  89  -3.756   3.429  -6.407
  685    HZ   PHE  89           HZ       PHE  89  -2.863   5.551  -5.494
  686    H    SER  90           HN       SER  90   1.880   4.851 -10.431
  687    HA   SER  90           HA       SER  90   2.932   5.215  -7.645
  688   1HB   SER  90           HB2      SER  90   5.049   5.963  -8.642
  689   2HB   SER  90           HB1      SER  90   4.687   4.302  -9.124
  690    HG   SER  90           HG       SER  90   5.132   5.259 -11.009
  691    H    GLY  91           HN       GLY  91   3.587   7.406  -7.176
  692   1HA   GLY  91           HA2      GLY  91   3.624   9.774  -8.052
  693   2HA   GLY  91           HA1      GLY  91   2.041   9.446  -8.746
  694    H    ALA  92           HN       ALA  92   3.038  11.341  -6.533
  695    HA   ALA  92           HA       ALA  92   1.725  10.368  -4.125
  696   1HB   ALA  92           HB1      ALA  92   2.682  13.117  -4.971
  697   2HB   ALA  92           HB3      ALA  92   2.023  12.763  -3.377
  698   3HB   ALA  92           HB2      ALA  92   3.520  11.991  -3.904
  699    H    ASN  93           HN       ASN  93  -0.276   9.843  -5.588
  700    HA   ASN  93           HA       ASN  93  -2.139  12.195  -5.579
  701   1HB   ASN  93           HB2      ASN  93  -1.575  11.281  -7.875
  702   2HB   ASN  93           HB1      ASN  93  -2.349   9.774  -7.388
  703   1HD2  ASN  93          HD22      ASN  93  -5.199  12.537  -6.896
  704   2HD2  ASN  93          HD21      ASN  93  -3.918  12.312  -5.808
  705    H    LYS  94           HN       LYS  94  -2.970  11.789  -3.497
  706    HA   LYS  94           HA       LYS  94  -3.684   9.172  -2.527
  707   1HB   LYS  94           HB2      LYS  94  -5.010  10.503  -0.847
  708   2HB   LYS  94           HB1      LYS  94  -3.302  10.906  -0.939
  709   1HG   LYS  94           HG2      LYS  94  -4.896  12.517  -2.824
  710   2HG   LYS  94           HG1      LYS  94  -5.474  12.710  -1.175
  711   1HD   LYS  94           HD2      LYS  94  -3.088  13.163  -0.478
  712   2HD   LYS  94           HD1      LYS  94  -2.654  13.158  -2.190
  713   1HE   LYS  94           HE2      LYS  94  -4.164  15.006  -2.623
  714   2HE   LYS  94           HE1      LYS  94  -4.760  14.948  -0.962
  715   1HZ   LYS  94           HZ2      LYS  94  -2.006  15.126  -0.799
  716   2HZ   LYS  94           HZ1      LYS  94  -2.466  16.258  -1.979
  717   3HZ   LYS  94           HZ3      LYS  94  -3.137  16.337  -0.424
  718    H    GLU  95           HN       GLU  95  -5.534  11.649  -4.263
  719    HA   GLU  95           HA       GLU  95  -8.112  10.498  -3.876
  720   1HB   GLU  95           HB2      GLU  95  -7.042  12.093  -6.219
  721   2HB   GLU  95           HB1      GLU  95  -8.747  11.821  -5.861
  722   1HG   GLU  95           HG2      GLU  95  -6.787  13.200  -4.003
  723   2HG   GLU  95           HG1      GLU  95  -7.955  14.031  -5.030
  724    H    LYS  96           HN       LYS  96  -5.483   9.705  -6.030
  725    HA   LYS  96           HA       LYS  96  -6.907   8.158  -7.950
  726   1HB   LYS  96           HB2      LYS  96  -4.461   8.923  -7.983
  727   2HB   LYS  96           HB1      LYS  96  -4.120   7.557  -6.937
  728   1HG   LYS  96           HG2      LYS  96  -4.743   5.973  -8.585
  729   2HG   LYS  96           HG1      LYS  96  -5.564   7.193  -9.567
  730   1HD   LYS  96           HD2      LYS  96  -3.434   8.269 -10.083
  731   2HD   LYS  96           HD1      LYS  96  -2.576   7.149  -9.028
  732   1HE   LYS  96           HE2      LYS  96  -3.134   5.274 -10.457
  733   2HE   LYS  96           HE1      LYS  96  -4.219   6.270 -11.426
  734   1HZ   LYS  96           HZ2      LYS  96  -1.294   6.717 -11.160
  735   2HZ   LYS  96           HZ1      LYS  96  -2.035   5.926 -12.467
  736   3HZ   LYS  96           HZ3      LYS  96  -2.358   7.565 -12.175
  737    H    LEU  97           HN       LEU  97  -5.664   7.406  -4.743
  738    HA   LEU  97           HA       LEU  97  -5.972   4.580  -4.784
  739   1HB   LEU  97           HB2      LEU  97  -6.264   6.636  -2.580
  740   2HB   LEU  97           HB1      LEU  97  -6.412   4.917  -2.268
  741    HG   LEU  97           HG       LEU  97  -3.993   6.155  -3.595
  742   1HD1  LEU  97          HD11      LEU  97  -4.578   5.603  -0.676
  743   2HD1  LEU  97          HD13      LEU  97  -2.947   5.829  -1.301
  744   3HD1  LEU  97          HD12      LEU  97  -4.121   7.139  -1.410
  745   1HD2  LEU  97          HD22      LEU  97  -4.700   3.424  -2.499
  746   2HD2  LEU  97          HD21      LEU  97  -3.945   3.835  -4.038
  747   3HD2  LEU  97          HD23      LEU  97  -3.023   3.943  -2.547
  748    H    GLU  98           HN       GLU  98  -8.195   7.216  -4.156
  749    HA   GLU  98           HA       GLU  98 -10.409   5.625  -3.280
  750   1HB   GLU  98           HB2      GLU  98 -10.291   8.089  -2.995
  751   2HB   GLU  98           HB1      GLU  98 -10.493   8.287  -4.736
  752   1HG   GLU  98           HG2      GLU  98 -12.678   7.089  -4.592
  753   2HG   GLU  98           HG1      GLU  98 -12.480   6.989  -2.844
  754    H    ALA  99           HN       ALA  99  -9.516   6.754  -6.546
  755    HA   ALA  99           HA       ALA  99 -11.863   5.651  -7.781
  756   1HB   ALA  99           HB1      ALA  99 -10.297   7.403  -8.764
  757   2HB   ALA  99           HB3      ALA  99  -9.200   6.077  -9.149
  758   3HB   ALA  99           HB2      ALA  99 -10.808   6.129  -9.871
  759    H    THR 100           HN       THR 100  -8.568   4.337  -7.405
  760    HA   THR 100           HA       THR 100  -9.079   1.959  -8.910
  761    HB   THR 100           HB       THR 100  -7.133   2.250  -6.615
  762    HG1  THR 100           HG1      THR 100  -6.538   3.855  -7.897
  763   1HG2  THR 100          HG21      THR 100  -7.231   0.525  -9.101
  764   2HG2  THR 100          HG23      THR 100  -5.863   0.605  -7.995
  765   3HG2  THR 100          HG22      THR 100  -7.413  -0.025  -7.436
  766    H    ILE 101           HN       ILE 101  -9.450   2.669  -5.445
  767    HA   ILE 101           HA       ILE 101 -10.075  -0.005  -4.593
  768    HB   ILE 101           HB       ILE 101 -10.910   2.720  -3.531
  769   1HG1  ILE 101          HG12      ILE 101  -8.981   0.735  -2.303
  770   2HG1  ILE 101          HG11      ILE 101  -8.443   1.881  -3.526
  771   1HG2  ILE 101          HG22      ILE 101 -11.400  -0.068  -2.450
  772   2HG2  ILE 101          HG21      ILE 101 -11.394   1.356  -1.409
  773   3HG2  ILE 101          HG23      ILE 101 -12.575   1.222  -2.711
  774   1HD1  ILE 101          HD12      ILE 101  -9.803   2.611  -0.917
  775   2HD1  ILE 101          HD11      ILE 101  -8.080   2.779  -1.258
  776   3HD1  ILE 101          HD13      ILE 101  -9.254   3.755  -2.140
  777    H    ASN 102           HN       ASN 102 -12.147   2.715  -5.591
  778    HA   ASN 102           HA       ASN 102 -14.629   1.328  -5.448
  779   1HB   ASN 102           HB2      ASN 102 -14.417   3.798  -5.729
  780   2HB   ASN 102           HB1      ASN 102 -13.814   3.542  -7.369
  781   1HD2  ASN 102          HD22      ASN 102 -17.742   3.735  -6.853
  782   2HD2  ASN 102          HD21      ASN 102 -16.594   4.352  -5.768
  783    H    GLU 103           HN       GLU 103 -12.128   1.523  -7.899
  784    HA   GLU 103           HA       GLU 103 -13.593   0.276 -10.018
  785   1HB   GLU 103           HB2      GLU 103 -11.426   1.596 -10.207
  786   2HB   GLU 103           HB1      GLU 103 -10.603   0.166  -9.582
  787   1HG   GLU 103           HG2      GLU 103 -11.584  -1.192 -11.427
  788   2HG   GLU 103           HG1      GLU 103 -12.305   0.277 -12.086
  789    H    LEU 104           HN       LEU 104 -11.463  -1.051  -7.480
  790    HA   LEU 104           HA       LEU 104 -12.006  -3.807  -8.478
  791   1HB   LEU 104           HB2      LEU 104 -10.080  -2.806  -6.374
  792   2HB   LEU 104           HB1      LEU 104 -10.196  -4.473  -6.936
  793    HG   LEU 104           HG       LEU 104  -9.541  -2.089  -8.700
  794   1HD1  LEU 104          HD11      LEU 104  -7.817  -4.124  -7.285
  795   2HD1  LEU 104          HD13      LEU 104  -7.257  -3.300  -8.741
  796   3HD1  LEU 104          HD12      LEU 104  -7.659  -2.365  -7.300
  797   1HD2  LEU 104          HD23      LEU 104  -9.839  -5.056  -9.177
  798   2HD2  LEU 104          HD22      LEU 104 -10.430  -3.712 -10.152
  799   3HD2  LEU 104          HD21      LEU 104  -8.718  -4.122 -10.169
  800    H    VAL 105           HN       VAL 105 -13.463  -1.729  -6.313
  801    HA   VAL 105           HA       VAL 105 -13.772  -3.451  -4.026
  802    HB   VAL 105           HB       VAL 105 -14.348  -0.961  -4.110
  803   1HG1  VAL 105          HG12      VAL 105 -15.801  -1.383  -6.250
  804   2HG1  VAL 105          HG11      VAL 105 -17.055  -1.837  -5.102
  805   3HG1  VAL 105          HG13      VAL 105 -16.359  -0.217  -5.056
  806   1HG2  VAL 105          HG23      VAL 105 -14.993  -2.545  -2.260
  807   2HG2  VAL 105          HG22      VAL 105 -16.106  -1.189  -2.455
  808   3HG2  VAL 105          HG21      VAL 105 -16.538  -2.780  -3.078
  809    HA   PRO  59           HA       PRO 106  13.651  14.026 -14.650
  810   1HB   PRO  59           HB2      PRO 106  15.777  12.578 -13.774
  811   2HB   PRO  59           HB1      PRO 106  15.763  13.363 -15.368
  812   1HG   PRO  59           HG2      PRO 106  17.025  14.291 -12.821
  813   2HG   PRO  59           HG1      PRO 106  17.689  14.292 -14.464
  814   1HD   PRO  59           HD2      PRO 106  16.613  16.533 -13.316
  815   2HD   PRO  59           HD1      PRO 106  16.560  16.232 -15.070
  816    H    ALA  60           HN       ALA 107  14.668  15.571 -11.747
  817    HA   ALA  60           HA       ALA 107  13.666  13.360 -10.022
  818   1HB   ALA  60           HB3      ALA 107  15.828  14.506  -9.462
  819   2HB   ALA  60           HB2      ALA 107  14.925  16.001  -9.222
  820   3HB   ALA  60           HB1      ALA 107  14.629  14.615  -8.173
  821    H    THR  61           HN       THR 108  11.571  13.410  -9.420
  822    HA   THR  61           HA       THR 108  10.089  16.018  -9.509
  823    HB   THR  61           HB       THR 108   8.961  13.203  -9.476
  824    HG1  THR  61           HG1      THR 108   8.640  13.772 -11.774
  825   1HG2  THR  61          HG21      THR 108   7.525  15.192  -8.776
  826   2HG2  THR  61          HG23      THR 108   7.708  15.782 -10.426
  827   3HG2  THR  61          HG22      THR 108   6.906  14.241 -10.126
  828    H    LEU  62           HN       LEU 109   9.313  16.848  -7.612
  829    HA   LEU  62           HA       LEU 109  10.079  15.734  -5.084
  830   1HB   LEU  62           HB2      LEU 109   8.053  17.860  -5.824
  831   2HB   LEU  62           HB1      LEU 109   8.464  17.469  -4.163
  832    HG   LEU  62           HG       LEU 109  10.572  18.212  -6.199
  833   1HD1  LEU  62          HD13      LEU 109   8.838  19.992  -4.481
  834   2HD1  LEU  62          HD12      LEU 109  10.445  20.501  -4.998
  835   3HD1  LEU  62          HD11      LEU 109   9.208  20.140  -6.199
  836   1HD2  LEU  62          HD21      LEU 109  10.463  17.966  -3.184
  837   2HD2  LEU  62          HD23      LEU 109  11.624  17.264  -4.307
  838   3HD2  LEU  62          HD22      LEU 109  11.672  18.987  -3.953
  839    H    LYS  63           HN       LYS 110   7.186  15.468  -7.033
  840    HA   LYS  63           HA       LYS 110   5.441  14.350  -5.056
  841   1HB   LYS  63           HB2      LYS 110   5.478  13.903  -8.062
  842   2HB   LYS  63           HB1      LYS 110   4.126  13.543  -6.996
  843   1HG   LYS  63           HG2      LYS 110   5.301  16.290  -7.536
  844   2HG   LYS  63           HG1      LYS 110   3.743  15.694  -8.097
  845   1HD   LYS  63           HD2      LYS 110   3.291  15.306  -5.521
  846   2HD   LYS  63           HD1      LYS 110   4.584  16.486  -5.320
  847   1HE   LYS  63           HE2      LYS 110   2.531  17.723  -5.334
  848   2HE   LYS  63           HE1      LYS 110   3.292  18.006  -6.899
  849   1HZ   LYS  63           HZ1      LYS 110   1.404  15.775  -6.597
  850   2HZ   LYS  63           HZ3      LYS 110   0.801  17.349  -6.762
  851   3HZ   LYS  63           HZ2      LYS 110   1.781  16.686  -7.978
  852    H    ILE  64           HN       ILE 111   8.178  13.113  -6.665
  853    HA   ILE  64           HA       ILE 111   7.587  10.328  -5.695
  854    HB   ILE  64           HB       ILE 111   9.058  11.226  -8.197
  855   1HG1  ILE  64          HG12      ILE 111   6.634  11.182  -8.459
  856   2HG1  ILE  64          HG11      ILE 111   7.355   9.856  -9.360
  857   1HG2  ILE  64          HG22      ILE 111   8.877   8.515  -6.877
  858   2HG2  ILE  64          HG21      ILE 111   9.260   8.710  -8.589
  859   3HG2  ILE  64          HG23      ILE 111  10.329   9.396  -7.365
  860   1HD1  ILE  64          HD13      ILE 111   6.903   8.561  -7.033
  861   2HD1  ILE  64          HD12      ILE 111   5.641   9.783  -6.921
  862   3HD1  ILE  64          HD11      ILE 111   5.680   8.684  -8.296
  863    H    CYS  65           HN       CYS 112   9.296   9.365  -4.513
  864    HA   CYS  65           HA       CYS 112  11.657  11.104  -3.976
  865   1HB   CYS  65           HB2      CYS 112  11.123   8.487  -2.558
  866   2HB   CYS  65           HB1      CYS 112  12.046   9.869  -1.998
  867    H    SER  66           HN       SER 113  13.585  10.566  -4.960
  868    HA   SER  66           HA       SER 113  13.629   8.292  -6.793
  869   1HB   SER  66           HB2      SER 113  15.824  10.224  -5.976
  870   2HB   SER  66           HB1      SER 113  15.906   9.092  -7.325
  871    HG   SER  66           HG       SER 113  14.848  11.528  -7.267
  872    H    TRP  67           HN       TRP 114  14.868   6.390  -6.599
  873    HA   TRP  67           HA       TRP 114  15.573   5.581  -3.872
  874   1HB   TRP  67           HB2      TRP 114  15.764   4.162  -6.547
  875   2HB   TRP  67           HB1      TRP 114  16.263   3.430  -5.021
  876    HD1  TRP  67           HD1      TRP 114  13.168   5.433  -6.176
  877    HE1  TRP  67           HE1      TRP 114  11.071   4.261  -5.278
  878    HE3  TRP  67           HE3      TRP 114  15.298   1.472  -3.756
  879    HZ2  TRP  67           HZ2      TRP 114  10.397   1.997  -3.733
  880    HZ3  TRP  67           HZ3      TRP 114  13.887  -0.181  -2.574
  881    HH2  TRP  67           HH2      TRP 114  11.423   0.083  -2.577
  882    H    ASN  68           HN       ASN 115  17.177   7.097  -6.484
  883    HA   ASN  68           HA       ASN 115  19.824   6.088  -6.211
  884   1HB   ASN  68           HB2      ASN 115  18.822   8.875  -6.900
  885   2HB   ASN  68           HB1      ASN 115  20.520   8.399  -7.001
  886   1HD2  ASN  68          HD22      ASN 115  18.539   5.858  -9.413
  887   2HD2  ASN  68          HD21      ASN 115  18.449   5.769  -7.723
  888    H    VAL  69           HN       VAL 116  17.829   7.692  -4.023
  889    HA   VAL  69           HA       VAL 116  19.722   9.227  -2.523
  890    HB   VAL  69           HB       VAL 116  17.306   9.505  -2.226
  891   1HG1  VAL  69          HG13      VAL 116  16.841   7.014  -2.593
  892   2HG1  VAL  69          HG12      VAL 116  17.269   6.779  -0.901
  893   3HG1  VAL  69          HG11      VAL 116  15.893   7.795  -1.332
  894   1HG2  VAL  69          HG22      VAL 116  19.010   9.813  -0.290
  895   2HG2  VAL  69          HG21      VAL 116  17.301   9.734   0.123
  896   3HG2  VAL  69          HG23      VAL 116  18.329   8.323   0.361
  897    H    ASP  70           HN       ASP 117  21.178   8.601  -0.948
  898    HA   ASP  70           HA       ASP 117  22.059   5.895  -0.814
  899   1HB   ASP  70           HB2      ASP 117  22.508   8.234   1.064
  900   2HB   ASP  70           HB1      ASP 117  23.293   6.669   1.270
  901    H    GLY  71           HN       GLY 118  19.852   7.767   1.228
  902   1HA   GLY  71           HA2      GLY 118  18.124   6.960   2.619
  903   2HA   GLY  71           HA1      GLY 118  18.567   5.319   2.149
   
  No H/Q in entry =         903
  Start of MODEL    5
    1   1H    MET   1           HT3      MET   1  -9.031  -0.874   9.437
    2   2H    MET   1           HT2      MET   1  -9.345  -2.199  10.453
    3   3H    MET   1           HT1      MET   1  -9.784  -0.630  10.936
    4    HA   MET   1           HA       MET   1  -7.661  -0.022  11.469
    5   1HB   MET   1           HB2      MET   1  -7.733  -3.039  11.800
    6   2HB   MET   1           HB1      MET   1  -6.594  -1.968  12.614
    7   1HG   MET   1           HG2      MET   1  -9.611  -1.779  12.855
    8   2HG   MET   1           HG1      MET   1  -8.560  -2.543  14.046
    9   1HE   MET   1           HE3      MET   1  -6.666  -1.600  15.027
   10   2HE   MET   1           HE2      MET   1  -5.921  -0.292  14.113
   11   3HE   MET   1           HE1      MET   1  -6.593   0.031  15.708
   12    H    VAL   2           HN       VAL   2  -5.392  -0.048  11.009
   13    HA   VAL   2           HA       VAL   2  -4.758  -1.095   8.287
   14    HB   VAL   2           HB       VAL   2  -3.450   0.999  10.051
   15   1HG1  VAL   2          HG13      VAL   2  -2.597  -0.164   7.384
   16   2HG1  VAL   2          HG12      VAL   2  -2.023   1.393   7.981
   17   3HG1  VAL   2          HG11      VAL   2  -1.648  -0.083   8.869
   18   1HG2  VAL   2          HG22      VAL   2  -5.614   1.463   8.768
   19   2HG2  VAL   2          HG21      VAL   2  -4.261   2.536   8.406
   20   3HG2  VAL   2          HG23      VAL   2  -4.668   1.228   7.298
   21    H    LYS   3           HN       LYS   3  -2.614  -2.114   7.967
   22    HA   LYS   3           HA       LYS   3  -1.531  -3.454  10.425
   23   1HB   LYS   3           HB2      LYS   3  -3.015  -4.953   9.039
   24   2HB   LYS   3           HB1      LYS   3  -1.911  -4.715   7.690
   25   1HG   LYS   3           HG2      LYS   3  -1.095  -6.709   8.603
   26   2HG   LYS   3           HG1      LYS   3  -0.072  -5.520   9.404
   27   1HD   LYS   3           HD2      LYS   3  -1.505  -5.563  11.382
   28   2HD   LYS   3           HD1      LYS   3  -2.627  -6.657  10.576
   29   1HE   LYS   3           HE2      LYS   3   0.274  -7.278  11.214
   30   2HE   LYS   3           HE1      LYS   3  -1.121  -7.878  12.109
   31   1HZ   LYS   3           HZ3      LYS   3  -1.743  -8.526   9.573
   32   2HZ   LYS   3           HZ2      LYS   3  -0.056  -8.734   9.571
   33   3HZ   LYS   3           HZ1      LYS   3  -1.018  -9.579  10.688
   34    H    GLN   4           HN       GLN   4   0.650  -3.231  10.579
   35    HA   GLN   4           HA       GLN   4   2.120  -2.059   8.266
   36   1HB   GLN   4           HB2      GLN   4   2.295  -0.962  10.493
   37   2HB   GLN   4           HB1      GLN   4   2.974  -2.449  11.154
   38   1HG   GLN   4           HG2      GLN   4   4.850  -2.286   9.513
   39   2HG   GLN   4           HG1      GLN   4   4.191  -0.745   8.956
   40   1HE2  GLN   4          HE22      GLN   4   6.649   0.235  11.506
   41   2HE2  GLN   4          HE21      GLN   4   6.640  -0.340   9.909
   42    H    ILE   5           HN       ILE   5   3.330  -3.377   7.034
   43    HA   ILE   5           HA       ILE   5   4.033  -6.105   8.041
   44    HB   ILE   5           HB       ILE   5   4.229  -4.991   5.242
   45   1HG1  ILE   5          HG12      ILE   5   1.896  -4.857   5.914
   46   2HG1  ILE   5          HG11      ILE   5   2.087  -6.236   4.832
   47   1HG2  ILE   5          HG22      ILE   5   4.365  -7.753   6.442
   48   2HG2  ILE   5          HG21      ILE   5   4.063  -7.472   4.736
   49   3HG2  ILE   5          HG23      ILE   5   5.572  -6.930   5.452
   50   1HD1  ILE   5          HD11      ILE   5   2.403  -7.636   6.994
   51   2HD1  ILE   5          HD13      ILE   5   1.721  -6.242   7.829
   52   3HD1  ILE   5          HD12      ILE   5   0.776  -7.085   6.606
   53    H    GLU   6           HN       GLU   6   6.078  -6.186   8.888
   54    HA   GLU   6           HA       GLU   6   8.129  -4.259   7.897
   55   1HB   GLU   6           HB2      GLU   6   8.159  -6.121  10.291
   56   2HB   GLU   6           HB1      GLU   6   9.393  -4.923   9.900
   57   1HG   GLU   6           HG2      GLU   6   6.489  -4.180  10.298
   58   2HG   GLU   6           HG1      GLU   6   7.654  -4.192  11.622
   59    H    SER   7           HN       SER   7   7.098  -7.312   7.139
   60    HA   SER   7           HA       SER   7   9.723  -7.976   5.940
   61   1HB   SER   7           HB2      SER   7   9.711 -10.263   6.870
   62   2HB   SER   7           HB1      SER   7   9.822  -9.054   8.150
   63    HG   SER   7           HG       SER   7   7.297  -9.912   7.301
   64    H    LYS   8           HN       LYS   8   9.571  -9.572   4.298
   65    HA   LYS   8           HA       LYS   8   7.154  -9.581   2.725
   66   1HB   LYS   8           HB2      LYS   8   9.556  -9.893   1.898
   67   2HB   LYS   8           HB1      LYS   8   9.471 -11.514   2.582
   68   1HG   LYS   8           HG2      LYS   8   7.726 -12.164   1.077
   69   2HG   LYS   8           HG1      LYS   8   7.491 -10.501   0.534
   70   1HD   LYS   8           HD2      LYS   8   8.825 -11.943  -1.065
   71   2HD   LYS   8           HD1      LYS   8   9.645 -10.470  -0.556
   72   1HE   LYS   8           HE2      LYS   8  10.073 -13.092   0.884
   73   2HE   LYS   8           HE1      LYS   8  11.021 -12.650  -0.531
   74   1HZ   LYS   8           HZ3      LYS   8  11.089 -10.421   1.022
   75   2HZ   LYS   8           HZ2      LYS   8  11.199 -11.682   2.154
   76   3HZ   LYS   8           HZ1      LYS   8  12.325 -11.573   0.888
   77    H    THR   9           HN       THR   9   8.596 -11.714   5.104
   78    HA   THR   9           HA       THR   9   7.004 -14.020   4.662
   79    HB   THR   9           HB       THR   9   7.974 -12.961   7.332
   80    HG1  THR   9           HG1      THR   9   9.590 -13.150   5.665
   81   1HG2  THR   9          HG23      THR   9   7.350 -15.765   6.359
   82   2HG2  THR   9          HG22      THR   9   8.020 -15.360   7.940
   83   3HG2  THR   9          HG21      THR   9   6.391 -14.835   7.513
   84    H    ALA  10           HN       ALA  10   6.446 -11.193   6.747
   85    HA   ALA  10           HA       ALA  10   3.816 -12.058   7.574
   86   1HB   ALA  10           HB3      ALA  10   5.363  -9.482   7.719
   87   2HB   ALA  10           HB2      ALA  10   3.632  -9.461   8.067
   88   3HB   ALA  10           HB1      ALA  10   4.715 -10.462   9.033
   89    H    PHE  11           HN       PHE  11   5.078 -10.213   4.863
   90    HA   PHE  11           HA       PHE  11   2.642  -9.055   3.946
   91   1HB   PHE  11           HB2      PHE  11   4.993  -8.636   3.036
   92   2HB   PHE  11           HB1      PHE  11   4.864 -10.172   2.199
   93    HD1  PHE  11           HD1      PHE  11   2.847  -7.040   2.708
   94    HD2  PHE  11           HD2      PHE  11   4.075 -10.144  -0.002
   95    HE1  PHE  11           HE1      PHE  11   1.595  -5.944   0.873
   96    HE2  PHE  11           HE2      PHE  11   2.823  -9.041  -1.831
   97    HZ   PHE  11           HZ       PHE  11   1.583  -6.949  -1.395
   98    H    GLN  12           HN       GLN  12   4.120 -12.219   3.283
   99    HA   GLN  12           HA       GLN  12   2.094 -13.121   1.458
  100   1HB   GLN  12           HB2      GLN  12   3.896 -14.677   3.357
  101   2HB   GLN  12           HB1      GLN  12   2.973 -15.391   2.037
  102   1HG   GLN  12           HG2      GLN  12   5.077 -13.233   1.698
  103   2HG   GLN  12           HG1      GLN  12   5.347 -14.952   1.411
  104   1HE2  GLN  12          HE22      GLN  12   3.798 -12.778  -1.546
  105   2HE2  GLN  12          HE21      GLN  12   4.593 -12.120  -0.197
  106    H    GLU  13           HN       GLU  13   2.482 -13.479   4.981
  107    HA   GLU  13           HA       GLU  13   0.122 -15.033   5.453
  108   1HB   GLU  13           HB2      GLU  13   1.870 -13.257   7.142
  109   2HB   GLU  13           HB1      GLU  13   0.400 -13.932   7.824
  110   1HG   GLU  13           HG2      GLU  13   2.318 -15.392   8.305
  111   2HG   GLU  13           HG1      GLU  13   1.183 -16.209   7.232
  112    H    ALA  14           HN       ALA  14   0.654 -11.521   5.427
  113    HA   ALA  14           HA       ALA  14  -1.963 -10.812   6.337
  114   1HB   ALA  14           HB3      ALA  14   0.119  -9.320   6.131
  115   2HB   ALA  14           HB2      ALA  14  -0.299  -9.166   4.424
  116   3HB   ALA  14           HB1      ALA  14  -1.419  -8.595   5.662
  117    H    LEU  15           HN       LEU  15  -0.626 -11.310   3.078
  118    HA   LEU  15           HA       LEU  15  -2.957 -10.551   1.642
  119   1HB   LEU  15           HB2      LEU  15  -0.784 -12.558   1.018
  120   2HB   LEU  15           HB1      LEU  15  -2.045 -12.117  -0.128
  121    HG   LEU  15           HG       LEU  15  -0.174 -10.137   1.183
  122   1HD1  LEU  15          HD12      LEU  15  -0.013 -11.645  -1.427
  123   2HD1  LEU  15          HD11      LEU  15   0.750 -10.068  -1.250
  124   3HD1  LEU  15          HD13      LEU  15   1.243 -11.402  -0.210
  125   1HD2  LEU  15          HD23      LEU  15  -2.400  -9.931  -0.831
  126   2HD2  LEU  15          HD22      LEU  15  -1.978  -8.836   0.484
  127   3HD2  LEU  15          HD21      LEU  15  -1.021  -8.843  -0.991
  128    H    ASP  16           HN       ASP  16  -1.952 -13.594   3.110
  129    HA   ASP  16           HA       ASP  16  -4.186 -15.115   2.142
  130   1HB   ASP  16           HB2      ASP  16  -1.982 -16.020   3.065
  131   2HB   ASP  16           HB1      ASP  16  -2.637 -15.690   4.673
  132    H    ALA  17           HN       ALA  17  -3.653 -13.165   5.045
  133    HA   ALA  17           HA       ALA  17  -5.991 -14.064   6.456
  134   1HB   ALA  17           HB3      ALA  17  -4.348 -11.534   6.647
  135   2HB   ALA  17           HB2      ALA  17  -5.674 -11.910   7.749
  136   3HB   ALA  17           HB1      ALA  17  -4.253 -12.955   7.686
  137    H    ALA  18           HN       ALA  18  -5.447 -11.410   4.173
  138    HA   ALA  18           HA       ALA  18  -7.942 -10.083   4.508
  139   1HB   ALA  18           HB3      ALA  18  -6.119 -10.377   2.117
  140   2HB   ALA  18           HB2      ALA  18  -7.546  -9.340   2.110
  141   3HB   ALA  18           HB1      ALA  18  -6.221  -9.011   3.229
  142    H    GLY  19           HN       GLY  19  -7.081 -12.982   2.715
  143   1HA   GLY  19           HA2      GLY  19  -8.461 -14.606   1.730
  144   2HA   GLY  19           HA1      GLY  19  -9.817 -13.851   2.567
  145    H    ASP  20           HN       ASP  20 -11.342 -13.288   1.122
  146    HA   ASP  20           HA       ASP  20 -10.604 -12.606  -1.657
  147   1HB   ASP  20           HB2      ASP  20 -13.296 -12.889  -0.292
  148   2HB   ASP  20           HB1      ASP  20 -13.050 -12.648  -2.024
  149    H    LYS  21           HN       LYS  21 -10.699 -10.901   1.126
  150    HA   LYS  21           HA       LYS  21 -12.272  -8.589   0.330
  151   1HB   LYS  21           HB2      LYS  21 -10.140  -8.992   2.448
  152   2HB   LYS  21           HB1      LYS  21 -11.071  -7.507   2.261
  153   1HG   LYS  21           HG2      LYS  21 -13.160  -9.041   2.436
  154   2HG   LYS  21           HG1      LYS  21 -12.041 -10.244   3.082
  155   1HD   LYS  21           HD2      LYS  21 -11.340  -8.687   4.840
  156   2HD   LYS  21           HD1      LYS  21 -12.404  -7.441   4.181
  157   1HE   LYS  21           HE2      LYS  21 -13.540  -8.491   6.033
  158   2HE   LYS  21           HE1      LYS  21 -14.336  -9.000   4.545
  159   1HZ   LYS  21           HZ3      LYS  21 -12.145 -10.687   5.335
  160   2HZ   LYS  21           HZ2      LYS  21 -13.419 -10.662   6.459
  161   3HZ   LYS  21           HZ1      LYS  21 -13.714 -11.106   4.846
  162    H    LEU  22           HN       LEU  22 -11.452  -6.550  -0.459
  163    HA   LEU  22           HA       LEU  22  -9.238  -6.692  -2.248
  164   1HB   LEU  22           HB2      LEU  22 -11.298  -4.907  -1.797
  165   2HB   LEU  22           HB1      LEU  22  -9.930  -4.008  -1.168
  166    HG   LEU  22           HG       LEU  22 -10.218  -5.135  -3.957
  167   1HD1  LEU  22          HD13      LEU  22 -10.673  -2.473  -2.721
  168   2HD1  LEU  22          HD12      LEU  22  -9.678  -2.429  -4.173
  169   3HD1  LEU  22          HD11      LEU  22 -11.286  -3.139  -4.232
  170   1HD2  LEU  22          HD21      LEU  22  -7.862  -3.918  -2.516
  171   2HD2  LEU  22          HD23      LEU  22  -7.899  -5.355  -3.541
  172   3HD2  LEU  22          HD22      LEU  22  -8.015  -3.755  -4.260
  173    H    VAL  23           HN       VAL  23  -7.121  -5.533  -1.979
  174    HA   VAL  23           HA       VAL  23  -6.330  -4.906   0.795
  175    HB   VAL  23           HB       VAL  23  -4.825  -6.909  -0.913
  176   1HG1  VAL  23          HG13      VAL  23  -4.380  -5.708   1.823
  177   2HG1  VAL  23          HG12      VAL  23  -3.621  -7.224   1.336
  178   3HG1  VAL  23          HG11      VAL  23  -3.275  -5.738   0.449
  179   1HG2  VAL  23          HG23      VAL  23  -6.568  -7.296   1.532
  180   2HG2  VAL  23          HG22      VAL  23  -6.840  -7.961  -0.077
  181   3HG2  VAL  23          HG21      VAL  23  -5.477  -8.519   0.888
  182    H    VAL  24           HN       VAL  24  -5.351  -2.938   0.593
  183    HA   VAL  24           HA       VAL  24  -3.883  -2.333  -1.949
  184    HB   VAL  24           HB       VAL  24  -4.824  -0.386   0.183
  185   1HG1  VAL  24          HG11      VAL  24  -2.947   0.228  -1.467
  186   2HG1  VAL  24          HG13      VAL  24  -4.175   0.126  -2.729
  187   3HG1  VAL  24          HG12      VAL  24  -4.342   1.306  -1.429
  188   1HG2  VAL  24          HG21      VAL  24  -6.185  -1.471  -2.288
  189   2HG2  VAL  24          HG23      VAL  24  -6.826  -1.330  -0.652
  190   3HG2  VAL  24          HG22      VAL  24  -6.596   0.115  -1.635
  191    H    VAL  25           HN       VAL  25  -1.663  -1.818  -1.812
  192    HA   VAL  25           HA       VAL  25  -0.444  -1.892   0.941
  193    HB   VAL  25           HB       VAL  25   0.798  -2.916  -1.629
  194   1HG1  VAL  25          HG13      VAL  25   2.308  -2.160   0.267
  195   2HG1  VAL  25          HG12      VAL  25   1.571  -3.423   1.252
  196   3HG1  VAL  25          HG11      VAL  25   2.483  -3.851  -0.192
  197   1HG2  VAL  25          HG21      VAL  25  -1.234  -4.216  -0.867
  198   2HG2  VAL  25          HG23      VAL  25   0.264  -5.139  -0.871
  199   3HG2  VAL  25          HG22      VAL  25  -0.385  -4.526   0.647
  200    H    ASP  26           HN       ASP  26   0.569  -0.042   1.445
  201    HA   ASP  26           HA       ASP  26   1.353   1.842  -0.740
  202   1HB   ASP  26           HB2      ASP  26  -0.042   2.644   1.190
  203   2HB   ASP  26           HB1      ASP  26   1.315   2.302   2.262
  204    H    PHE  27           HN       PHE  27   3.462   1.786  -1.367
  205    HA   PHE  27           HA       PHE  27   5.524   0.662   0.473
  206   1HB   PHE  27           HB2      PHE  27   5.475   1.238  -2.497
  207   2HB   PHE  27           HB1      PHE  27   6.980   0.885  -1.644
  208    HD1  PHE  27           HD1      PHE  27   7.254  -1.289  -0.447
  209    HD2  PHE  27           HD2      PHE  27   3.902  -0.499  -3.013
  210    HE1  PHE  27           HE1      PHE  27   6.805  -3.723  -0.606
  211    HE2  PHE  27           HE2      PHE  27   3.446  -2.932  -3.154
  212    HZ   PHE  27           HZ       PHE  27   4.900  -4.545  -1.957
  213    H    SER  28           HN       SER  28   4.294   3.443   0.683
  214    HA   SER  28           HA       SER  28   6.158   5.396  -0.188
  215   1HB   SER  28           HB2      SER  28   4.513   5.424   2.357
  216   2HB   SER  28           HB1      SER  28   5.284   6.820   1.616
  217    HG   SER  28           HG       SER  28   3.504   5.197   0.151
  218    H    ALA  29           HN       ALA  29   7.958   6.329   0.783
  219    HA   ALA  29           HA       ALA  29   9.426   4.567   2.634
  220   1HB   ALA  29           HB2      ALA  29  10.067   6.907   0.882
  221   2HB   ALA  29           HB1      ALA  29  11.075   6.700   2.309
  222   3HB   ALA  29           HB3      ALA  29  10.967   5.410   1.111
  223    H    THR  30           HN       THR  30   9.276   4.868   4.809
  224    HA   THR  30           HA       THR  30   7.789   7.074   5.903
  225    HB   THR  30           HB       THR  30   7.951   4.915   7.081
  226    HG1  THR  30           HG1      THR  30   7.610   6.723   8.355
  227   1HG2  THR  30          HG23      THR  30  10.285   4.396   6.378
  228   2HG2  THR  30          HG22      THR  30  10.868   5.621   7.505
  229   3HG2  THR  30          HG21      THR  30  10.035   4.190   8.112
  230    H    TRP  31           HN       TRP  31  11.184   6.473   5.229
  231    HA   TRP  31           HA       TRP  31  12.213   8.691   6.790
  232   1HB   TRP  31           HB2      TRP  31  14.279   8.343   5.558
  233   2HB   TRP  31           HB1      TRP  31  13.613   6.788   6.049
  234    HD1  TRP  31           HD1      TRP  31  12.976   5.112   4.202
  235    HE1  TRP  31           HE1      TRP  31  13.198   5.098   1.631
  236    HE3  TRP  31           HE3      TRP  31  14.044  10.027   3.398
  237    HZ2  TRP  31           HZ2      TRP  31  13.725   6.953  -0.489
  238    HZ3  TRP  31           HZ3      TRP  31  14.383  10.883   1.102
  239    HH2  TRP  31           HH2      TRP  31  14.224   9.359  -0.840
  240    H    CYS  32           HN       CYS  32  10.852   8.414   3.574
  241    HA   CYS  32           HA       CYS  32  11.854  11.047   2.735
  242   1HB   CYS  32           HB2      CYS  32  11.347   8.981   1.228
  243   2HB   CYS  32           HB1      CYS  32   9.659   9.451   1.389
  244    H    GLY  33           HN       GLY  33  10.877  12.885   3.419
  245   1HA   GLY  33           HA2      GLY  33   8.513  12.893   4.998
  246   2HA   GLY  33           HA1      GLY  33   9.240  14.323   4.272
  247    HA   PRO  34           HA       PRO  34   6.271  14.706   1.024
  248   1HB   PRO  34           HB2      PRO  34   7.782  13.145  -1.020
  249   2HB   PRO  34           HB1      PRO  34   7.191  14.814  -1.083
  250   1HG   PRO  34           HG2      PRO  34   9.828  14.196  -0.753
  251   2HG   PRO  34           HG1      PRO  34   9.100  15.673  -0.099
  252   1HD   PRO  34           HD2      PRO  34   9.996  13.235   1.344
  253   2HD   PRO  34           HD1      PRO  34   9.779  14.887   1.967
  254    H    ALA  35           HN       ALA  35   7.615  11.404   1.136
  255    HA   ALA  35           HA       ALA  35   5.197  10.205   0.036
  256   1HB   ALA  35           HB3      ALA  35   7.712   9.328   0.097
  257   2HB   ALA  35           HB2      ALA  35   7.179   8.585   1.603
  258   3HB   ALA  35           HB1      ALA  35   6.359   8.201   0.089
  259    H    LYS  36           HN       LYS  36   6.678  10.147   3.321
  260    HA   LYS  36           HA       LYS  36   4.485   8.813   4.557
  261   1HB   LYS  36           HB2      LYS  36   6.760   9.206   5.589
  262   2HB   LYS  36           HB1      LYS  36   6.256  10.870   5.896
  263   1HG   LYS  36           HG2      LYS  36   4.244   9.949   7.119
  264   2HG   LYS  36           HG1      LYS  36   4.962   8.346   6.966
  265   1HD   LYS  36           HD2      LYS  36   7.049   9.296   8.068
  266   2HD   LYS  36           HD1      LYS  36   6.106  10.741   8.427
  267   1HE   LYS  36           HE2      LYS  36   5.993   9.323  10.367
  268   2HE   LYS  36           HE1      LYS  36   4.421   9.240   9.572
  269   1HZ   LYS  36           HZ2      LYS  36   6.017   7.287   8.414
  270   2HZ   LYS  36           HZ1      LYS  36   6.251   7.156  10.091
  271   3HZ   LYS  36           HZ3      LYS  36   4.686   7.060   9.445
  272    H    MET  37           HN       MET  37   5.064  12.243   3.919
  273    HA   MET  37           HA       MET  37   2.942  13.324   5.452
  274   1HB   MET  37           HB2      MET  37   4.754  14.630   4.278
  275   2HB   MET  37           HB1      MET  37   3.898  14.358   2.764
  276   1HG   MET  37           HG2      MET  37   2.507  15.586   5.150
  277   2HG   MET  37           HG1      MET  37   3.433  16.573   4.020
  278   1HE   MET  37           HE2      MET  37   3.176  16.138   1.383
  279   2HE   MET  37           HE1      MET  37   1.589  16.646   0.811
  280   3HE   MET  37           HE3      MET  37   2.452  17.616   2.014
  281    H    ILE  38           HN       ILE  38   2.935  11.644   2.403
  282    HA   ILE  38           HA       ILE  38   0.165  12.386   1.767
  283    HB   ILE  38           HB       ILE  38   2.109  10.464   0.474
  284   1HG1  ILE  38          HG12      ILE  38   1.132  13.139  -0.531
  285   2HG1  ILE  38          HG11      ILE  38   2.558  12.997   0.494
  286   1HG2  ILE  38          HG22      ILE  38  -0.691  11.330  -0.260
  287   2HG2  ILE  38          HG21      ILE  38   0.449  10.765  -1.482
  288   3HG2  ILE  38          HG23      ILE  38  -0.040   9.694  -0.170
  289   1HD1  ILE  38          HD11      ILE  38   2.151  11.565  -2.131
  290   2HD1  ILE  38          HD13      ILE  38   3.168  12.987  -1.884
  291   3HD1  ILE  38          HD12      ILE  38   3.583  11.458  -1.108
  292    H    LYS  39           HN       LYS  39   1.620   9.898   3.710
  293    HA   LYS  39           HA       LYS  39  -0.236   7.845   3.011
  294   1HB   LYS  39           HB2      LYS  39   0.531   6.522   4.752
  295   2HB   LYS  39           HB1      LYS  39   1.928   7.477   4.292
  296   1HG   LYS  39           HG2      LYS  39   1.853   8.786   6.251
  297   2HG   LYS  39           HG1      LYS  39   0.166   8.412   6.578
  298   1HD   LYS  39           HD2      LYS  39   0.996   5.955   6.838
  299   2HD   LYS  39           HD1      LYS  39   2.595   6.678   6.995
  300   1HE   LYS  39           HE2      LYS  39   1.752   8.065   8.867
  301   2HE   LYS  39           HE1      LYS  39   0.164   7.309   8.693
  302   1HZ   LYS  39           HZ3      LYS  39   2.608   5.696   9.092
  303   2HZ   LYS  39           HZ2      LYS  39   1.750   6.339  10.409
  304   3HZ   LYS  39           HZ1      LYS  39   0.991   5.249   9.348
  305    HA   PRO  40           HA       PRO  40  -2.744   9.474   6.959
  306   1HB   PRO  40           HB2      PRO  40  -3.139  12.183   5.774
  307   2HB   PRO  40           HB1      PRO  40  -2.957  11.714   7.477
  308   1HG   PRO  40           HG2      PRO  40  -0.973  12.947   6.091
  309   2HG   PRO  40           HG1      PRO  40  -0.651  11.787   7.389
  310   1HD   PRO  40           HD2      PRO  40  -0.330  11.451   4.475
  311   2HD   PRO  40           HD1      PRO  40   0.507  10.594   5.777
  312    H    PHE  41           HN       PHE  41  -3.097  10.582   3.564
  313    HA   PHE  41           HA       PHE  41  -5.978  10.275   3.613
  314   1HB   PHE  41           HB2      PHE  41  -3.966  10.176   1.330
  315   2HB   PHE  41           HB1      PHE  41  -5.707  10.103   1.112
  316    HD1  PHE  41           HD2      PHE  41  -3.068  12.197   2.719
  317    HD2  PHE  41           HD1      PHE  41  -6.935  12.075   0.862
  318    HE1  PHE  41           HE2      PHE  41  -3.187  14.677   2.814
  319    HE2  PHE  41           HE1      PHE  41  -7.066  14.557   0.967
  320    HZ   PHE  41           HZ       PHE  41  -5.188  15.856   1.941
  321    H    PHE  42           HN       PHE  42  -3.223   8.229   2.684
  322    HA   PHE  42           HA       PHE  42  -4.697   5.911   1.917
  323   1HB   PHE  42           HB2      PHE  42  -2.345   6.119   1.387
  324   2HB   PHE  42           HB1      PHE  42  -1.919   6.219   3.092
  325    HD1  PHE  42           HD1      PHE  42  -3.228   3.976   0.440
  326    HD2  PHE  42           HD2      PHE  42  -1.771   4.276   4.471
  327    HE1  PHE  42           HE1      PHE  42  -3.079   1.507   0.575
  328    HE2  PHE  42           HE2      PHE  42  -1.620   1.807   4.605
  329    HZ   PHE  42           HZ       PHE  42  -2.281   0.421   2.655
  330    H    HIS  43           HN       HIS  43  -3.184   6.696   5.060
  331    HA   HIS  43           HA       HIS  43  -4.241   4.415   6.439
  332   1HB   HIS  43           HB2      HIS  43  -2.278   5.716   7.229
  333   2HB   HIS  43           HB1      HIS  43  -3.325   7.106   7.511
  334    HD1  HIS  43           HD1      HIS  43  -2.335   3.827   8.957
  335    HD2  HIS  43           HD2      HIS  43  -5.161   6.786   9.683
  336    HE1  HIS  43           HE1      HIS  43  -3.333   3.319  11.236
  337    H    SER  44           HN       SER  44  -5.357   7.766   6.084
  338    HA   SER  44           HA       SER  44  -7.513   7.650   7.922
  339   1HB   SER  44           HB2      SER  44  -7.231   9.300   5.401
  340   2HB   SER  44           HB1      SER  44  -8.475   9.546   6.620
  341    HG   SER  44           HG       SER  44  -7.035  10.694   7.612
  342    H    LEU  45           HN       LEU  45  -7.348   6.808   4.490
  343    HA   LEU  45           HA       LEU  45 -10.126   6.374   4.039
  344   1HB   LEU  45           HB2      LEU  45  -7.668   5.196   2.758
  345   2HB   LEU  45           HB1      LEU  45  -9.285   4.847   2.177
  346    HG   LEU  45           HG       LEU  45  -8.378   7.710   2.547
  347   1HD1  LEU  45          HD11      LEU  45  -7.839   5.867   0.208
  348   2HD1  LEU  45          HD13      LEU  45  -7.851   7.622   0.045
  349   3HD1  LEU  45          HD12      LEU  45  -6.677   6.844   1.103
  350   1HD2  LEU  45          HD22      LEU  45 -10.494   6.301   0.909
  351   2HD2  LEU  45          HD21      LEU  45 -10.709   7.548   2.139
  352   3HD2  LEU  45          HD23      LEU  45 -10.005   7.958   0.580
  353    H    SER  46           HN       SER  46  -7.839   4.457   5.809
  354    HA   SER  46           HA       SER  46  -8.941   1.885   5.456
  355   1HB   SER  46           HB2      SER  46  -7.837   3.108   8.000
  356   2HB   SER  46           HB1      SER  46  -8.089   1.388   7.732
  357    HG   SER  46           HG       SER  46  -6.236   3.146   6.562
  358    H    GLU  47           HN       GLU  47 -10.001   4.579   7.456
  359    HA   GLU  47           HA       GLU  47 -12.208   3.030   8.619
  360   1HB   GLU  47           HB2      GLU  47 -11.478   5.984   8.689
  361   2HB   GLU  47           HB1      GLU  47 -12.865   5.295   9.531
  362   1HG   GLU  47           HG2      GLU  47 -11.107   5.366  11.143
  363   2HG   GLU  47           HG1      GLU  47 -11.224   3.681  10.642
  364    H    LYS  48           HN       LYS  48 -11.638   4.946   5.760
  365    HA   LYS  48           HA       LYS  48 -14.436   5.663   5.331
  366   1HB   LYS  48           HB2      LYS  48 -12.495   6.937   4.323
  367   2HB   LYS  48           HB1      LYS  48 -12.214   5.548   3.270
  368   1HG   LYS  48           HG2      LYS  48 -14.542   5.740   2.421
  369   2HG   LYS  48           HG1      LYS  48 -14.774   7.170   3.427
  370   1HD   LYS  48           HD2      LYS  48 -12.923   8.298   2.233
  371   2HD   LYS  48           HD1      LYS  48 -12.734   6.878   1.203
  372   1HE   LYS  48           HE2      LYS  48 -14.100   8.501   0.026
  373   2HE   LYS  48           HE1      LYS  48 -15.122   7.143   0.495
  374   1HZ   LYS  48           HZ2      LYS  48 -14.849   9.477   2.274
  375   2HZ   LYS  48           HZ1      LYS  48 -15.925   9.529   0.960
  376   3HZ   LYS  48           HZ3      LYS  48 -16.119   8.353   2.166
  377    H    TYR  49           HN       TYR  49 -12.217   3.134   4.336
  378    HA   TYR  49           HA       TYR  49 -14.556   1.556   3.287
  379   1HB   TYR  49           HB2      TYR  49 -11.687   1.571   2.263
  380   2HB   TYR  49           HB1      TYR  49 -12.944   0.453   1.728
  381    HD1  TYR  49           HD2      TYR  49 -15.163   1.534   0.851
  382    HD2  TYR  49           HD1      TYR  49 -11.424   3.631   1.143
  383    HE1  TYR  49           HE2      TYR  49 -15.978   3.217  -0.780
  384    HE2  TYR  49           HE1      TYR  49 -12.241   5.314  -0.483
  385    HH   TYR  49           HH       TYR  49 -14.843   6.107  -1.158
  386    H    SER  50           HN       SER  50 -14.437   1.170   5.726
  387    HA   SER  50           HA       SER  50 -12.335  -0.355   6.898
  388   1HB   SER  50           HB2      SER  50 -13.899  -0.760   8.680
  389   2HB   SER  50           HB1      SER  50 -14.188   0.868   8.096
  390    HG   SER  50           HG       SER  50 -16.154   0.204   7.818
  391    H    ASN  51           HN       ASN  51 -14.549  -1.180   4.486
  392    HA   ASN  51           HA       ASN  51 -14.601  -4.062   5.164
  393   1HB   ASN  51           HB2      ASN  51 -16.591  -2.832   4.149
  394   2HB   ASN  51           HB1      ASN  51 -15.649  -2.713   2.664
  395   1HD2  ASN  51          HD22      ASN  51 -16.401  -5.999   1.675
  396   2HD2  ASN  51          HD21      ASN  51 -15.816  -4.462   1.249
  397    H    VAL  52           HN       VAL  52 -12.293  -2.141   4.130
  398    HA   VAL  52           HA       VAL  52 -11.172  -4.125   2.199
  399    HB   VAL  52           HB       VAL  52 -11.075  -1.098   2.102
  400   1HG1  VAL  52          HG12      VAL  52  -9.281  -3.161   0.849
  401   2HG1  VAL  52          HG11      VAL  52  -9.646  -1.683  -0.042
  402   3HG1  VAL  52          HG13      VAL  52  -8.866  -1.596   1.536
  403   1HG2  VAL  52          HG22      VAL  52 -12.083  -3.264   0.236
  404   2HG2  VAL  52          HG21      VAL  52 -13.029  -2.006   1.030
  405   3HG2  VAL  52          HG23      VAL  52 -11.896  -1.579  -0.252
  406    H    ILE  53           HN       ILE  53  -8.910  -4.512   2.460
  407    HA   ILE  53           HA       ILE  53  -7.878  -3.691   5.146
  408    HB   ILE  53           HB       ILE  53  -6.749  -5.740   3.226
  409   1HG1  ILE  53          HG12      ILE  53  -9.032  -6.395   3.727
  410   2HG1  ILE  53          HG11      ILE  53  -7.945  -7.409   4.671
  411   1HG2  ILE  53          HG23      ILE  53  -5.381  -4.774   5.205
  412   2HG2  ILE  53          HG22      ILE  53  -6.470  -5.704   6.227
  413   3HG2  ILE  53          HG21      ILE  53  -5.469  -6.525   5.032
  414   1HD1  ILE  53          HD12      ILE  53  -8.268  -5.634   6.548
  415   2HD1  ILE  53          HD11      ILE  53  -9.670  -5.120   5.612
  416   3HD1  ILE  53          HD13      ILE  53  -9.584  -6.766   6.237
  417    H    PHE  54           HN       PHE  54  -6.379  -2.087   5.258
  418    HA   PHE  54           HA       PHE  54  -4.836  -1.338   2.786
  419   1HB   PHE  54           HB2      PHE  54  -5.553   0.230   5.286
  420   2HB   PHE  54           HB1      PHE  54  -4.453   0.825   4.047
  421    HD1  PHE  54           HD1      PHE  54  -7.946  -0.345   4.635
  422    HD2  PHE  54           HD2      PHE  54  -5.291   1.832   2.055
  423    HE1  PHE  54           HE1      PHE  54  -9.887   0.517   3.356
  424    HE2  PHE  54           HE2      PHE  54  -7.233   2.676   0.767
  425    HZ   PHE  54           HZ       PHE  54  -9.531   2.015   1.416
  426    H    LEU  55           HN       LEU  55  -2.660  -1.896   2.835
  427    HA   LEU  55           HA       LEU  55  -1.361  -2.381   5.500
  428   1HB   LEU  55           HB2      LEU  55  -0.776  -3.549   2.767
  429   2HB   LEU  55           HB1      LEU  55   0.402  -3.624   4.075
  430    HG   LEU  55           HG       LEU  55  -1.035  -4.975   5.417
  431   1HD1  LEU  55          HD11      LEU  55  -3.180  -4.185   3.458
  432   2HD1  LEU  55          HD13      LEU  55  -3.341  -5.631   4.456
  433   3HD1  LEU  55          HD12      LEU  55  -3.175  -4.054   5.221
  434   1HD2  LEU  55          HD23      LEU  55   0.115  -6.131   3.550
  435   2HD2  LEU  55          HD22      LEU  55  -1.398  -6.925   3.984
  436   3HD2  LEU  55          HD21      LEU  55  -1.317  -5.908   2.545
  437    H    GLU  56           HN       GLU  56   0.607  -1.420   5.949
  438    HA   GLU  56           HA       GLU  56   1.542   0.686   4.020
  439   1HB   GLU  56           HB2      GLU  56   0.666   1.533   6.232
  440   2HB   GLU  56           HB1      GLU  56   1.926   0.600   7.038
  441   1HG   GLU  56           HG2      GLU  56   3.624   1.843   5.642
  442   2HG   GLU  56           HG1      GLU  56   2.309   2.878   5.075
  443    H    VAL  57           HN       VAL  57   3.592   0.332   3.233
  444    HA   VAL  57           HA       VAL  57   5.307  -1.702   4.642
  445    HB   VAL  57           HB       VAL  57   5.018  -1.310   1.646
  446   1HG1  VAL  57          HG11      VAL  57   6.598  -3.233   3.368
  447   2HG1  VAL  57          HG13      VAL  57   6.337  -3.468   1.644
  448   3HG1  VAL  57          HG12      VAL  57   7.241  -2.065   2.208
  449   1HG2  VAL  57          HG23      VAL  57   3.037  -2.368   2.712
  450   2HG2  VAL  57          HG22      VAL  57   3.925  -3.503   1.693
  451   3HG2  VAL  57          HG21      VAL  57   4.098  -3.570   3.440
  452    H    ASP  58           HN       ASP  58   7.384  -1.136   4.966
  453    HA   ASP  58           HA       ASP  58   8.280   1.563   4.098
  454   1HB   ASP  58           HB2      ASP  58   8.482   0.713   6.498
  455   2HB   ASP  58           HB1      ASP  58   9.689  -0.430   5.882
  456    H    VAL  59           HN       VAL  59   9.490   1.650   2.235
  457    HA   VAL  59           HA       VAL  59  10.553  -0.763   1.021
  458    HB   VAL  59           HB       VAL  59  11.684   0.856  -0.515
  459   1HG1  VAL  59          HG11      VAL  59   8.751   1.193   0.152
  460   2HG1  VAL  59          HG13      VAL  59   9.483   2.011  -1.228
  461   3HG1  VAL  59          HG12      VAL  59   9.469   0.251  -1.155
  462   1HG2  VAL  59          HG23      VAL  59  12.094   2.605   1.237
  463   2HG2  VAL  59          HG22      VAL  59  11.343   3.244  -0.222
  464   3HG2  VAL  59          HG21      VAL  59  10.369   2.964   1.219
  465    H    ASP  60           HN       ASP  60  11.649   1.414   3.460
  466    HA   ASP  60           HA       ASP  60  14.490   0.641   3.098
  467   1HB   ASP  60           HB2      ASP  60  13.029   2.636   4.815
  468   2HB   ASP  60           HB1      ASP  60  14.681   2.187   5.188
  469    H    ASP  61           HN       ASP  61  11.911   0.216   5.572
  470    HA   ASP  61           HA       ASP  61  13.741  -1.613   7.062
  471   1HB   ASP  61           HB2      ASP  61  10.927  -0.676   7.725
  472   2HB   ASP  61           HB1      ASP  61  11.927  -1.700   8.747
  473    H    ALA  62           HN       ALA  62  11.307  -1.640   4.697
  474    HA   ALA  62           HA       ALA  62  10.964  -4.601   4.992
  475   1HB   ALA  62           HB1      ALA  62   8.930  -2.749   5.188
  476   2HB   ALA  62           HB3      ALA  62   8.883  -3.127   3.469
  477   3HB   ALA  62           HB2      ALA  62   8.695  -4.412   4.658
  478    H    GLN  63           HN       GLN  63  13.082  -3.288   3.619
  479    HA   GLN  63           HA       GLN  63  12.617  -2.848   0.858
  480   1HB   GLN  63           HB2      GLN  63  15.011  -3.175   0.560
  481   2HB   GLN  63           HB1      GLN  63  14.738  -2.289   2.062
  482   1HG   GLN  63           HG2      GLN  63  14.810  -4.522   3.264
  483   2HG   GLN  63           HG1      GLN  63  15.378  -5.231   1.752
  484   1HE2  GLN  63          HE22      GLN  63  18.205  -3.849   4.016
  485   2HE2  GLN  63          HE21      GLN  63  16.778  -4.647   4.477
  486    H    ASP  64           HN       ASP  64  12.754  -5.794   2.679
  487    HA   ASP  64           HA       ASP  64  13.399  -7.564   0.520
  488   1HB   ASP  64           HB2      ASP  64  12.254  -9.286   2.009
  489   2HB   ASP  64           HB1      ASP  64  13.561  -8.379   2.778
  490    H    VAL  65           HN       VAL  65  10.336  -6.332   1.826
  491    HA   VAL  65           HA       VAL  65   8.670  -7.819   0.017
  492    HB   VAL  65           HB       VAL  65   8.062  -5.159   1.341
  493   1HG1  VAL  65          HG13      VAL  65   6.473  -6.049  -0.399
  494   2HG1  VAL  65          HG12      VAL  65   6.238  -7.468   0.624
  495   3HG1  VAL  65          HG11      VAL  65   5.760  -5.875   1.206
  496   1HG2  VAL  65          HG22      VAL  65   8.552  -7.827   2.509
  497   2HG2  VAL  65          HG21      VAL  65   8.460  -6.271   3.306
  498   3HG2  VAL  65          HG23      VAL  65   6.987  -7.171   2.964
  499    H    ALA  66           HN       ALA  66   9.974  -4.490  -0.070
  500    HA   ALA  66           HA       ALA  66   8.704  -3.852  -2.576
  501   1HB   ALA  66           HB2      ALA  66   9.647  -2.236  -0.807
  502   2HB   ALA  66           HB1      ALA  66  11.215  -2.538  -1.560
  503   3HB   ALA  66           HB3      ALA  66   9.900  -1.838  -2.505
  504    H    SER  67           HN       SER  67  11.879  -5.161  -1.712
  505    HA   SER  67           HA       SER  67  13.069  -4.926  -4.295
  506   1HB   SER  67           HB2      SER  67  14.623  -6.655  -3.534
  507   2HB   SER  67           HB1      SER  67  14.312  -5.530  -2.214
  508    HG   SER  67           HG       SER  67  13.215  -8.110  -2.642
  509    H    GLU  68           HN       GLU  68  10.833  -7.234  -2.911
  510    HA   GLU  68           HA       GLU  68  11.046  -9.254  -4.926
  511   1HB   GLU  68           HB2      GLU  68   9.881  -9.478  -2.692
  512   2HB   GLU  68           HB1      GLU  68   8.564  -8.510  -3.355
  513   1HG   GLU  68           HG2      GLU  68   8.350 -10.181  -5.212
  514   2HG   GLU  68           HG1      GLU  68   9.551 -11.180  -4.392
  515    H    ALA  69           HN       ALA  69   9.053  -6.325  -4.654
  516    HA   ALA  69           HA       ALA  69   7.755  -6.861  -7.245
  517   1HB   ALA  69           HB1      ALA  69   6.586  -5.800  -5.246
  518   2HB   ALA  69           HB3      ALA  69   7.541  -4.354  -5.577
  519   3HB   ALA  69           HB2      ALA  69   6.400  -4.953  -6.782
  520    H    GLU  70           HN       GLU  70  10.729  -5.673  -6.446
  521    HA   GLU  70           HA       GLU  70  12.252  -4.274  -7.561
  522   1HB   GLU  70           HB2      GLU  70  10.379  -4.726  -9.904
  523   2HB   GLU  70           HB1      GLU  70  12.016  -4.089  -9.998
  524   1HG   GLU  70           HG2      GLU  70  11.292  -6.815  -8.915
  525   2HG   GLU  70           HG1      GLU  70  11.904  -6.498 -10.536
  526    H    VAL  71           HN       VAL  71  10.527  -2.799  -6.022
  527    HA   VAL  71           HA       VAL  71   8.982  -0.903  -7.520
  528    HB   VAL  71           HB       VAL  71  10.340  -0.429  -4.842
  529   1HG1  VAL  71          HG12      VAL  71   7.937   0.772  -6.256
  530   2HG1  VAL  71          HG11      VAL  71   8.290   1.040  -4.551
  531   3HG1  VAL  71          HG13      VAL  71   9.419   1.602  -5.788
  532   1HG2  VAL  71          HG22      VAL  71   7.749  -1.826  -5.596
  533   2HG2  VAL  71          HG21      VAL  71   9.073  -2.468  -4.626
  534   3HG2  VAL  71          HG23      VAL  71   8.042  -1.193  -3.976
  535    H    LYS  72           HN       LYS  72   9.654   0.778  -8.725
  536    HA   LYS  72           HA       LYS  72  12.556   1.402  -8.770
  537   1HB   LYS  72           HB2      LYS  72  10.351   2.063 -10.737
  538   2HB   LYS  72           HB1      LYS  72  12.062   2.404 -10.971
  539   1HG   LYS  72           HG2      LYS  72  11.109  -0.420 -10.421
  540   2HG   LYS  72           HG1      LYS  72  11.089   0.243 -12.054
  541   1HD   LYS  72           HD2      LYS  72  13.542   0.802 -11.765
  542   2HD   LYS  72           HD1      LYS  72  13.502  -0.106 -10.255
  543   1HE   LYS  72           HE2      LYS  72  12.696  -2.100 -11.499
  544   2HE   LYS  72           HE1      LYS  72  12.821  -1.187 -13.003
  545   1HZ   LYS  72           HZ3      LYS  72  15.208  -1.091 -11.409
  546   2HZ   LYS  72           HZ2      LYS  72  14.796  -2.667 -11.891
  547   3HZ   LYS  72           HZ1      LYS  72  15.019  -1.451 -13.056
  548    H    ALA  73           HN       ALA  73   9.595   2.691  -7.635
  549    HA   ALA  73           HA       ALA  73  10.949   5.130  -6.796
  550   1HB   ALA  73           HB2      ALA  73   9.031   5.153  -9.089
  551   2HB   ALA  73           HB1      ALA  73   9.027   6.522  -7.976
  552   3HB   ALA  73           HB3      ALA  73  10.500   6.101  -8.851
  553    H    THR  74           HN       THR  74   9.647   6.416  -5.333
  554    HA   THR  74           HA       THR  74   7.162   5.083  -4.335
  555    HB   THR  74           HB       THR  74   7.877   5.466  -2.041
  556    HG1  THR  74           HG1      THR  74   9.142   7.046  -1.693
  557   1HG2  THR  74          HG21      THR  74  10.090   4.295  -3.706
  558   2HG2  THR  74          HG23      THR  74   9.992   4.163  -1.954
  559   3HG2  THR  74          HG22      THR  74   8.750   3.427  -2.967
  560    HA   PRO  75           HA       PRO  75   5.770   5.748  -2.477
  561   1HB   PRO  75           HB2      PRO  75   3.186   6.722  -2.593
  562   2HB   PRO  75           HB1      PRO  75   4.384   7.200  -1.380
  563   1HG   PRO  75           HG2      PRO  75   3.381   8.723  -3.725
  564   2HG   PRO  75           HG1      PRO  75   4.064   9.318  -2.205
  565   1HD   PRO  75           HD2      PRO  75   5.406   9.190  -4.699
  566   2HD   PRO  75           HD1      PRO  75   6.173   9.476  -3.113
  567    H    THR  76           HN       THR  76   4.837   3.842  -3.146
  568    HA   THR  76           HA       THR  76   3.450   3.810  -5.804
  569    HB   THR  76           HB       THR  76   5.367   1.700  -4.769
  570    HG1  THR  76           HG1      THR  76   6.232   3.715  -5.644
  571   1HG2  THR  76          HG22      THR  76   3.599   1.874  -7.211
  572   2HG2  THR  76          HG21      THR  76   5.009   0.815  -7.147
  573   3HG2  THR  76          HG23      THR  76   3.677   0.582  -6.014
  574    H    PHE  77           HN       PHE  77   1.539   2.846  -5.762
  575    HA   PHE  77           HA       PHE  77   0.700   1.426  -3.257
  576   1HB   PHE  77           HB2      PHE  77  -0.952   2.872  -5.361
  577   2HB   PHE  77           HB1      PHE  77  -1.577   2.146  -3.876
  578    HD1  PHE  77           HD1      PHE  77  -0.941   3.111  -1.637
  579    HD2  PHE  77           HD2      PHE  77   0.223   4.950  -5.344
  580    HE1  PHE  77           HE1      PHE  77  -0.375   5.204  -0.423
  581    HE2  PHE  77           HE2      PHE  77   0.786   7.041  -4.133
  582    HZ   PHE  77           HZ       PHE  77   0.488   7.174  -1.672
  583    H    GLN  78           HN       GLN  78   0.270  -0.744  -3.502
  584    HA   GLN  78           HA       GLN  78  -0.267  -1.782  -6.276
  585   1HB   GLN  78           HB2      GLN  78   1.236  -3.070  -3.979
  586   2HB   GLN  78           HB1      GLN  78   0.719  -3.941  -5.424
  587   1HG   GLN  78           HG2      GLN  78   2.014  -2.345  -6.814
  588   2HG   GLN  78           HG1      GLN  78   2.590  -1.553  -5.350
  589   1HE2  GLN  78          HE22      GLN  78   5.332  -3.801  -5.589
  590   2HE2  GLN  78          HE21      GLN  78   4.828  -2.189  -5.753
  591    H    PHE  79           HN       PHE  79  -1.959  -3.143  -6.508
  592    HA   PHE  79           HA       PHE  79  -3.743  -3.484  -4.122
  593   1HB   PHE  79           HB2      PHE  79  -4.332  -3.483  -7.094
  594   2HB   PHE  79           HB1      PHE  79  -5.532  -3.767  -5.826
  595    HD1  PHE  79           HD2      PHE  79  -3.048  -1.320  -7.109
  596    HD2  PHE  79           HD1      PHE  79  -6.444  -1.967  -4.569
  597    HE1  PHE  79           HE2      PHE  79  -3.222   1.116  -6.732
  598    HE2  PHE  79           HE1      PHE  79  -6.625   0.474  -4.185
  599    HZ   PHE  79           HZ       PHE  79  -5.019   2.020  -5.272
  600    H    PHE  80           HN       PHE  80  -4.186  -5.486  -3.407
  601    HA   PHE  80           HA       PHE  80  -3.499  -7.822  -5.137
  602   1HB   PHE  80           HB2      PHE  80  -2.959  -7.413  -2.194
  603   2HB   PHE  80           HB1      PHE  80  -2.930  -9.002  -2.954
  604    HD1  PHE  80           HD2      PHE  80  -1.242  -5.703  -2.745
  605    HD2  PHE  80           HD1      PHE  80  -1.199  -9.612  -4.547
  606    HE1  PHE  80           HE2      PHE  80   1.093  -5.347  -3.486
  607    HE2  PHE  80           HE1      PHE  80   1.135  -9.243  -5.285
  608    HZ   PHE  80           HZ       PHE  80   2.282  -7.111  -4.752
  609    H    LYS  81           HN       LYS  81  -4.902  -9.572  -5.027
  610    HA   LYS  81           HA       LYS  81  -7.230  -9.425  -3.200
  611   1HB   LYS  81           HB2      LYS  81  -7.728  -8.177  -5.383
  612   2HB   LYS  81           HB1      LYS  81  -7.607  -9.738  -6.195
  613   1HG   LYS  81           HG2      LYS  81  -9.332 -10.596  -4.531
  614   2HG   LYS  81           HG1      LYS  81  -9.572  -8.918  -4.049
  615   1HD   LYS  81           HD2      LYS  81  -9.838  -9.888  -6.907
  616   2HD   LYS  81           HD1      LYS  81 -11.198  -9.738  -5.798
  617   1HE   LYS  81           HE2      LYS  81 -10.511  -7.307  -5.469
  618   2HE   LYS  81           HE1      LYS  81  -9.407  -7.525  -6.827
  619   1HZ   LYS  81           HZ3      LYS  81 -11.467  -8.420  -8.027
  620   2HZ   LYS  81           HZ2      LYS  81 -12.351  -7.636  -6.808
  621   3HZ   LYS  81           HZ1      LYS  81 -11.321  -6.743  -7.823
  622    H    LYS  82           HN       LYS  82  -7.645 -11.483  -2.484
  623    HA   LYS  82           HA       LYS  82  -7.378 -13.794  -2.228
  624   1HB   LYS  82           HB2      LYS  82  -7.571 -13.675  -5.251
  625   2HB   LYS  82           HB1      LYS  82  -7.612 -15.164  -4.310
  626   1HG   LYS  82           HG2      LYS  82  -9.581 -14.187  -3.046
  627   2HG   LYS  82           HG1      LYS  82  -9.613 -12.892  -4.244
  628   1HD   LYS  82           HD2      LYS  82  -9.763 -14.660  -6.037
  629   2HD   LYS  82           HD1      LYS  82  -9.943 -15.860  -4.758
  630   1HE   LYS  82           HE2      LYS  82 -11.986 -14.804  -3.978
  631   2HE   LYS  82           HE1      LYS  82 -11.776 -13.472  -5.116
  632   1HZ   LYS  82           HZ1      LYS  82 -12.004 -16.297  -5.980
  633   2HZ   LYS  82           HZ3      LYS  82 -13.351 -15.279  -5.819
  634   3HZ   LYS  82           HZ2      LYS  82 -12.131 -14.899  -6.937
  635    H    GLY  83           HN       GLY  83  -4.938 -12.142  -2.426
  636   1HA   GLY  83           HA2      GLY  83  -2.650 -12.651  -2.290
  637   2HA   GLY  83           HA1      GLY  83  -3.032 -14.310  -2.726
  638    H    GLN  84           HN       GLN  84  -4.224 -11.825  -4.838
  639    HA   GLN  84           HA       GLN  84  -1.966 -12.337  -6.737
  640   1HB   GLN  84           HB2      GLN  84  -4.933 -12.291  -7.322
  641   2HB   GLN  84           HB1      GLN  84  -3.690 -12.251  -8.569
  642   1HG   GLN  84           HG2      GLN  84  -2.781 -14.400  -7.680
  643   2HG   GLN  84           HG1      GLN  84  -4.122 -14.453  -6.532
  644   1HE2  GLN  84          HE22      GLN  84  -6.475 -14.598  -9.476
  645   2HE2  GLN  84          HE21      GLN  84  -6.196 -13.447  -8.261
  646    H    LYS  85           HN       LYS  85  -1.233 -10.536  -7.868
  647    HA   LYS  85           HA       LYS  85  -2.204  -7.907  -6.980
  648   1HB   LYS  85           HB2      LYS  85   0.223  -8.415  -7.373
  649   2HB   LYS  85           HB1      LYS  85  -0.136  -8.543  -9.096
  650   1HG   LYS  85           HG2      LYS  85  -1.109  -6.207  -8.968
  651   2HG   LYS  85           HG1      LYS  85  -0.470  -6.104  -7.333
  652   1HD   LYS  85           HD2      LYS  85   1.202  -6.724  -9.777
  653   2HD   LYS  85           HD1      LYS  85   1.042  -5.119  -9.069
  654   1HE   LYS  85           HE2      LYS  85   1.806  -6.238  -6.861
  655   2HE   LYS  85           HE1      LYS  85   2.344  -7.568  -7.891
  656   1HZ   LYS  85           HZ2      LYS  85   3.203  -5.244  -9.112
  657   2HZ   LYS  85           HZ1      LYS  85   3.558  -5.047  -7.461
  658   3HZ   LYS  85           HZ3      LYS  85   4.159  -6.393  -8.301
  659    H    VAL  86           HN       VAL  86  -3.709  -6.722  -8.036
  660    HA   VAL  86           HA       VAL  86  -4.346  -7.394 -10.889
  661    HB   VAL  86           HB       VAL  86  -6.696  -6.668 -10.313
  662   1HG1  VAL  86          HG11      VAL  86  -5.913  -9.084 -10.400
  663   2HG1  VAL  86          HG13      VAL  86  -5.740  -9.010  -8.645
  664   3HG1  VAL  86          HG12      VAL  86  -7.325  -8.793  -9.385
  665   1HG2  VAL  86          HG21      VAL  86  -5.996  -5.421  -8.251
  666   2HG2  VAL  86          HG23      VAL  86  -7.322  -6.550  -7.969
  667   3HG2  VAL  86          HG22      VAL  86  -5.683  -6.972  -7.474
  668    H    GLY  87           HN       GLY  87  -2.820  -5.081  -9.168
  669   1HA   GLY  87           HA2      GLY  87  -3.206  -3.046 -11.149
  670   2HA   GLY  87           HA1      GLY  87  -4.231  -2.676  -9.769
  671    H    GLU  88           HN       GLU  88  -1.915  -1.192 -10.794
  672    HA   GLU  88           HA       GLU  88  -0.616  -0.634  -8.268
  673   1HB   GLU  88           HB2      GLU  88   0.778  -2.531  -8.781
  674   2HB   GLU  88           HB1      GLU  88   0.975  -2.008 -10.450
  675   1HG   GLU  88           HG2      GLU  88   2.287  -0.078  -9.746
  676   2HG   GLU  88           HG1      GLU  88   1.976  -0.431  -8.049
  677    H    PHE  89           HN       PHE  89   0.506   1.347  -8.328
  678    HA   PHE  89           HA       PHE  89   1.146   2.636 -10.841
  679   1HB   PHE  89           HB2      PHE  89  -0.411   4.455 -10.833
  680   2HB   PHE  89           HB1      PHE  89  -1.356   2.975 -10.733
  681    HD1  PHE  89           HD1      PHE  89  -0.022   5.833  -8.797
  682    HD2  PHE  89           HD2      PHE  89  -2.716   2.500  -8.804
  683    HE1  PHE  89           HE1      PHE  89  -1.091   6.705  -6.736
  684    HE2  PHE  89           HE2      PHE  89  -3.794   3.368  -6.741
  685    HZ   PHE  89           HZ       PHE  89  -2.981   5.477  -5.708
  686    H    SER  90           HN       SER  90   2.045   4.821 -10.457
  687    HA   SER  90           HA       SER  90   3.038   5.175  -7.648
  688   1HB   SER  90           HB2      SER  90   5.169   5.936  -8.606
  689   2HB   SER  90           HB1      SER  90   4.831   4.276  -9.100
  690    HG   SER  90           HG       SER  90   4.238   5.007 -11.096
  691    H    GLY  91           HN       GLY  91   3.653   7.399  -7.168
  692   1HA   GLY  91           HA2      GLY  91   3.704   9.750  -8.112
  693   2HA   GLY  91           HA1      GLY  91   2.142   9.395  -8.841
  694    H    ALA  92           HN       ALA  92   3.006  11.399  -6.736
  695    HA   ALA  92           HA       ALA  92   1.706  10.544  -4.280
  696   1HB   ALA  92           HB3      ALA  92   2.756  13.162  -5.348
  697   2HB   ALA  92           HB2      ALA  92   1.866  13.103  -3.829
  698   3HB   ALA  92           HB1      ALA  92   3.373  12.198  -4.011
  699    H    ASN  93           HN       ASN  93  -0.306   9.879  -5.788
  700    HA   ASN  93           HA       ASN  93  -2.214  12.207  -5.824
  701   1HB   ASN  93           HB2      ASN  93  -1.663  11.177  -8.099
  702   2HB   ASN  93           HB1      ASN  93  -2.461   9.714  -7.523
  703   1HD2  ASN  93          HD22      ASN  93  -5.250  12.574  -7.161
  704   2HD2  ASN  93          HD21      ASN  93  -3.956  12.402  -6.078
  705    H    LYS  94           HN       LYS  94  -2.966  11.828  -3.704
  706    HA   LYS  94           HA       LYS  94  -3.633   9.209  -2.716
  707   1HB   LYS  94           HB2      LYS  94  -4.851  10.490  -0.952
  708   2HB   LYS  94           HB1      LYS  94  -3.166  10.948  -1.149
  709   1HG   LYS  94           HG2      LYS  94  -4.862  12.536  -2.923
  710   2HG   LYS  94           HG1      LYS  94  -5.425  12.679  -1.262
  711   1HD   LYS  94           HD2      LYS  94  -3.084  13.235  -0.572
  712   2HD   LYS  94           HD1      LYS  94  -2.611  13.202  -2.273
  713   1HE   LYS  94           HE2      LYS  94  -4.174  15.005  -2.777
  714   2HE   LYS  94           HE1      LYS  94  -4.768  14.992  -1.114
  715   1HZ   LYS  94           HZ3      LYS  94  -1.972  15.577  -1.933
  716   2HZ   LYS  94           HZ2      LYS  94  -3.129  16.748  -1.509
  717   3HZ   LYS  94           HZ1      LYS  94  -2.583  15.629  -0.351
  718    H    GLU  95           HN       GLU  95  -5.542  11.653  -4.443
  719    HA   GLU  95           HA       GLU  95  -8.108  10.507  -3.915
  720   1HB   GLU  95           HB2      GLU  95  -7.147  12.039  -6.357
  721   2HB   GLU  95           HB1      GLU  95  -8.825  11.697  -5.972
  722   1HG   GLU  95           HG2      GLU  95  -8.571  13.852  -5.093
  723   2HG   GLU  95           HG1      GLU  95  -8.292  12.837  -3.679
  724    H    LYS  96           HN       LYS  96  -5.563   9.721  -6.169
  725    HA   LYS  96           HA       LYS  96  -7.000   8.095  -8.001
  726   1HB   LYS  96           HB2      LYS  96  -4.610   8.913  -8.165
  727   2HB   LYS  96           HB1      LYS  96  -4.166   7.638  -7.050
  728   1HG   LYS  96           HG2      LYS  96  -4.762   5.925  -8.572
  729   2HG   LYS  96           HG1      LYS  96  -5.672   7.036  -9.598
  730   1HD   LYS  96           HD2      LYS  96  -3.554   8.224 -10.149
  731   2HD   LYS  96           HD1      LYS  96  -2.664   7.048  -9.186
  732   1HE   LYS  96           HE2      LYS  96  -3.494   5.226 -10.662
  733   2HE   LYS  96           HE1      LYS  96  -4.349   6.423 -11.636
  734   1HZ   LYS  96           HZ2      LYS  96  -1.417   6.405 -11.167
  735   2HZ   LYS  96           HZ1      LYS  96  -2.177   5.820 -12.569
  736   3HZ   LYS  96           HZ3      LYS  96  -2.272   7.467 -12.180
  737    H    LEU  97           HN       LEU  97  -5.680   7.431  -4.799
  738    HA   LEU  97           HA       LEU  97  -5.894   4.597  -4.830
  739   1HB   LEU  97           HB2      LEU  97  -6.224   6.633  -2.608
  740   2HB   LEU  97           HB1      LEU  97  -6.279   4.902  -2.309
  741    HG   LEU  97           HG       LEU  97  -3.947   6.158  -3.741
  742   1HD1  LEU  97          HD13      LEU  97  -4.281   7.304  -1.543
  743   2HD1  LEU  97          HD12      LEU  97  -4.199   5.736  -0.749
  744   3HD1  LEU  97          HD11      LEU  97  -2.790   6.367  -1.600
  745   1HD2  LEU  97          HD21      LEU  97  -4.611   3.503  -3.308
  746   2HD2  LEU  97          HD23      LEU  97  -2.974   4.093  -3.552
  747   3HD2  LEU  97          HD22      LEU  97  -3.584   3.832  -1.921
  748    H    GLU  98           HN       GLU  98  -8.197   7.156  -4.159
  749    HA   GLU  98           HA       GLU  98 -10.340   5.514  -3.216
  750   1HB   GLU  98           HB2      GLU  98 -10.295   7.979  -2.972
  751   2HB   GLU  98           HB1      GLU  98 -10.525   8.145  -4.715
  752   1HG   GLU  98           HG2      GLU  98 -12.683   6.985  -4.570
  753   2HG   GLU  98           HG1      GLU  98 -12.451   6.734  -2.841
  754    H    ALA  99           HN       ALA  99  -9.514   6.560  -6.512
  755    HA   ALA  99           HA       ALA  99 -11.883   5.448  -7.707
  756   1HB   ALA  99           HB2      ALA  99 -10.526   7.173  -8.814
  757   2HB   ALA  99           HB1      ALA  99  -9.182   6.039  -8.946
  758   3HB   ALA  99           HB3      ALA  99 -10.673   5.746  -9.841
  759    H    THR 100           HN       THR 100  -8.580   4.111  -7.387
  760    HA   THR 100           HA       THR 100  -9.148   1.760  -8.906
  761    HB   THR 100           HB       THR 100  -7.142   1.967  -6.647
  762    HG1  THR 100           HG1      THR 100  -6.371   3.508  -7.858
  763   1HG2  THR 100          HG21      THR 100  -7.356   0.302  -9.170
  764   2HG2  THR 100          HG23      THR 100  -5.911   0.377  -8.165
  765   3HG2  THR 100          HG22      THR 100  -7.410  -0.278  -7.508
  766    H    ILE 101           HN       ILE 101  -9.500   2.467  -5.451
  767    HA   ILE 101           HA       ILE 101 -10.144  -0.190  -4.580
  768    HB   ILE 101           HB       ILE 101 -11.008   2.538  -3.571
  769   1HG1  ILE 101          HG12      ILE 101  -9.104   0.591  -2.253
  770   2HG1  ILE 101          HG11      ILE 101  -8.535   1.690  -3.507
  771   1HG2  ILE 101          HG22      ILE 101 -11.525  -0.232  -2.469
  772   2HG2  ILE 101          HG21      ILE 101 -11.516   1.194  -1.432
  773   3HG2  ILE 101          HG23      ILE 101 -12.685   1.068  -2.747
  774   1HD1  ILE 101          HD12      ILE 101  -9.496   3.598  -2.170
  775   2HD1  ILE 101          HD11      ILE 101  -9.851   2.444  -0.885
  776   3HD1  ILE 101          HD13      ILE 101  -8.183   2.749  -1.361
  777    H    ASN 102           HN       ASN 102 -12.188   2.519  -5.620
  778    HA   ASN 102           HA       ASN 102 -14.682   1.153  -5.500
  779   1HB   ASN 102           HB2      ASN 102 -14.478   3.605  -5.734
  780   2HB   ASN 102           HB1      ASN 102 -13.801   3.395  -7.349
  781   1HD2  ASN 102          HD22      ASN 102 -17.777   3.434  -6.902
  782   2HD2  ASN 102          HD21      ASN 102 -16.695   3.911  -5.686
  783    H    GLU 103           HN       GLU 103 -12.155   1.316  -7.939
  784    HA   GLU 103           HA       GLU 103 -13.637   0.075 -10.067
  785   1HB   GLU 103           HB2      GLU 103 -11.443   1.379 -10.219
  786   2HB   GLU 103           HB1      GLU 103 -10.651  -0.070  -9.604
  787   1HG   GLU 103           HG2      GLU 103 -11.699  -1.369 -11.493
  788   2HG   GLU 103           HG1      GLU 103 -12.241   0.170 -12.169
  789    H    LEU 104           HN       LEU 104 -11.507  -1.200  -7.520
  790    HA   LEU 104           HA       LEU 104 -12.033  -3.980  -8.448
  791   1HB   LEU 104           HB2      LEU 104 -10.085  -2.883  -6.407
  792   2HB   LEU 104           HB1      LEU 104 -10.212  -4.579  -6.866
  793    HG   LEU 104           HG       LEU 104  -9.569  -2.302  -8.764
  794   1HD1  LEU 104          HD11      LEU 104  -7.842  -4.337  -7.352
  795   2HD1  LEU 104          HD13      LEU 104  -7.304  -3.486  -8.800
  796   3HD1  LEU 104          HD12      LEU 104  -7.688  -2.583  -7.336
  797   1HD2  LEU 104          HD21      LEU 104 -10.030  -5.255  -9.106
  798   2HD2  LEU 104          HD23      LEU 104 -10.459  -3.924 -10.178
  799   3HD2  LEU 104          HD22      LEU 104  -8.793  -4.491 -10.106
  800    H    VAL 105           HN       VAL 105 -13.543  -1.884  -6.343
  801    HA   VAL 105           HA       VAL 105 -13.821  -3.575  -4.010
  802    HB   VAL 105           HB       VAL 105 -14.420  -1.087  -4.127
  803   1HG1  VAL 105          HG11      VAL 105 -15.848  -1.514  -6.261
  804   2HG1  VAL 105          HG13      VAL 105 -17.102  -2.027  -5.136
  805   3HG1  VAL 105          HG12      VAL 105 -16.466  -0.384  -5.058
  806   1HG2  VAL 105          HG21      VAL 105 -16.470  -3.041  -3.042
  807   2HG2  VAL 105          HG23      VAL 105 -15.018  -2.487  -2.205
  808   3HG2  VAL 105          HG22      VAL 105 -16.323  -1.353  -2.554
  809    HA   PRO  59           HA       PRO 106  14.344  15.109 -13.449
  810   1HB   PRO  59           HB2      PRO 106  16.487  13.771 -12.329
  811   2HB   PRO  59           HB1      PRO 106  16.527  14.491 -13.951
  812   1HG   PRO  59           HG2      PRO 106  17.614  15.557 -11.384
  813   2HG   PRO  59           HG1      PRO 106  18.315  15.612 -13.013
  814   1HD   PRO  59           HD2      PRO 106  17.055  17.757 -11.873
  815   2HD   PRO  59           HD1      PRO 106  17.066  17.473 -13.629
  816    H    ALA  60           HN       ALA 107  15.242  16.498 -10.401
  817    HA   ALA  60           HA       ALA 107  14.189  14.263  -8.802
  818   1HB   ALA  60           HB3      ALA 107  16.142  15.655  -8.049
  819   2HB   ALA  60           HB2      ALA 107  15.049  17.030  -7.902
  820   3HB   ALA  60           HB1      ALA 107  14.822  15.611  -6.882
  821    H    THR  61           HN       THR 108  12.064  14.069  -8.461
  822    HA   THR  61           HA       THR 108  10.304  16.494  -8.648
  823    HB   THR  61           HB       THR 108   9.511  13.579  -8.905
  824    HG1  THR  61           HG1      THR 108  10.521  13.735 -10.734
  825   1HG2  THR  61          HG23      THR 108   7.794  15.402  -8.346
  826   2HG2  THR  61          HG22      THR 108   8.117  16.042  -9.958
  827   3HG2  THR  61          HG21      THR 108   7.461  14.417  -9.769
  828    H    LEU  62           HN       LEU 109   9.222  17.087  -6.802
  829    HA   LEU  62           HA       LEU 109   9.761  15.783  -4.292
  830   1HB   LEU  62           HB2      LEU 109   7.703  17.855  -5.105
  831   2HB   LEU  62           HB1      LEU 109   7.940  17.327  -3.440
  832    HG   LEU  62           HG       LEU 109  10.129  18.496  -5.182
  833   1HD1  LEU  62          HD13      LEU 109   8.356  20.149  -4.733
  834   2HD1  LEU  62          HD12      LEU 109   8.467  19.809  -3.008
  835   3HD1  LEU  62          HD11      LEU 109   9.828  20.551  -3.850
  836   1HD2  LEU  62          HD21      LEU 109   9.984  17.482  -2.353
  837   2HD2  LEU  62          HD23      LEU 109  11.295  17.353  -3.525
  838   3HD2  LEU  62          HD22      LEU 109  11.018  18.871  -2.682
  839    H    LYS  63           HN       LYS 110   7.194  15.553  -6.657
  840    HA   LYS  63           HA       LYS 110   5.241  14.198  -5.059
  841   1HB   LYS  63           HB2      LYS 110   5.764  14.006  -8.043
  842   2HB   LYS  63           HB1      LYS 110   4.286  13.486  -7.236
  843   1HG   LYS  63           HG2      LYS 110   5.298  16.317  -6.960
  844   2HG   LYS  63           HG1      LYS 110   4.317  15.836  -8.340
  845   1HD   LYS  63           HD2      LYS 110   2.563  15.018  -6.757
  846   2HD   LYS  63           HD1      LYS 110   3.521  15.650  -5.419
  847   1HE   LYS  63           HE2      LYS 110   3.394  17.909  -6.350
  848   2HE   LYS  63           HE1      LYS 110   2.498  17.305  -7.742
  849   1HZ   LYS  63           HZ2      LYS 110   0.943  16.374  -5.874
  850   2HZ   LYS  63           HZ1      LYS 110   1.621  17.639  -4.965
  851   3HZ   LYS  63           HZ3      LYS 110   0.796  17.980  -6.407
  852    H    ILE  64           HN       ILE 111   8.216  13.152  -6.431
  853    HA   ILE  64           HA       ILE 111   7.620  10.317  -5.629
  854    HB   ILE  64           HB       ILE 111   9.100  11.329  -8.078
  855   1HG1  ILE  64          HG12      ILE 111   6.672  11.241  -8.364
  856   2HG1  ILE  64          HG11      ILE 111   7.439   9.975  -9.312
  857   1HG2  ILE  64          HG22      ILE 111   9.030   8.607  -6.791
  858   2HG2  ILE  64          HG21      ILE 111   9.303   8.783  -8.526
  859   3HG2  ILE  64          HG23      ILE 111  10.420   9.523  -7.377
  860   1HD1  ILE  64          HD11      ILE 111   6.988   8.574  -7.045
  861   2HD1  ILE  64          HD13      ILE 111   5.689   9.755  -6.916
  862   3HD1  ILE  64          HD12      ILE 111   5.790   8.710  -8.328
  863    H    CYS  65           HN       CYS 112   9.326   9.322  -4.476
  864    HA   CYS  65           HA       CYS 112  11.693  11.042  -3.864
  865   1HB   CYS  65           HB2      CYS 112  10.904   8.430  -2.536
  866   2HB   CYS  65           HB1      CYS 112  12.125   9.565  -1.985
  867    H    SER  66           HN       SER 113  13.681  10.433  -4.750
  868    HA   SER  66           HA       SER 113  13.689   8.189  -6.635
  869   1HB   SER  66           HB2      SER 113  15.877  10.095  -5.777
  870   2HB   SER  66           HB1      SER 113  16.042   8.901  -7.061
  871    HG   SER  66           HG       SER 113  15.072  11.321  -7.252
  872    H    TRP  67           HN       TRP 114  14.891   6.275  -6.477
  873    HA   TRP  67           HA       TRP 114  15.538   5.380  -3.762
  874   1HB   TRP  67           HB2      TRP 114  15.725   4.016  -6.464
  875   2HB   TRP  67           HB1      TRP 114  16.196   3.239  -4.950
  876    HD1  TRP  67           HD1      TRP 114  13.147   5.297  -6.116
  877    HE1  TRP  67           HE1      TRP 114  11.019   4.139  -5.253
  878    HE3  TRP  67           HE3      TRP 114  15.202   1.296  -3.717
  879    HZ2  TRP  67           HZ2      TRP 114  10.305   1.857  -3.716
  880    HZ3  TRP  67           HZ3      TRP 114  13.776  -0.353  -2.571
  881    HH2  TRP  67           HH2      TRP 114  11.323  -0.082  -2.585
  882    H    ASN  68           HN       ASN 115  17.198   6.950  -6.301
  883    HA   ASN  68           HA       ASN 115  19.827   5.877  -6.031
  884   1HB   ASN  68           HB2      ASN 115  18.901   8.711  -6.645
  885   2HB   ASN  68           HB1      ASN 115  20.582   8.183  -6.755
  886   1HD2  ASN  68          HD22      ASN 115  18.598   5.759  -9.263
  887   2HD2  ASN  68          HD21      ASN 115  18.553   5.587  -7.576
  888    H    VAL  69           HN       VAL 116  17.827   7.446  -3.838
  889    HA   VAL  69           HA       VAL 116  19.758   8.872  -2.245
  890    HB   VAL  69           HB       VAL 116  17.338   9.298  -2.075
  891   1HG1  VAL  69          HG13      VAL 116  16.837   6.743  -2.385
  892   2HG1  VAL  69          HG12      VAL 116  17.014   6.661  -0.635
  893   3HG1  VAL  69          HG11      VAL 116  15.776   7.689  -1.349
  894   1HG2  VAL  69          HG23      VAL 116  18.888   9.679  -0.121
  895   2HG2  VAL  69          HG22      VAL 116  17.207   9.410   0.339
  896   3HG2  VAL  69          HG21      VAL 116  18.384   8.113   0.507
  897    H    ASP  70           HN       ASP 117  20.923   8.125  -0.431
  898    HA   ASP  70           HA       ASP 117  21.771   5.411  -0.430
  899   1HB   ASP  70           HB2      ASP 117  21.920   7.564   1.696
  900   2HB   ASP  70           HB1      ASP 117  22.691   5.989   1.870
  901    H    GLY  71           HN       GLY 118  19.324   7.087   1.526
  902   1HA   GLY  71           HA2      GLY 118  17.625   6.235   2.899
  903   2HA   GLY  71           HA1      GLY 118  17.677   4.814   1.856
   
  No H/Q in entry =         903
  Start of MODEL    6
    1   1H    MET   1           HT3      MET   1  -8.624  -0.235   8.879
    2   2H    MET   1           HT2      MET   1  -9.522  -0.797  10.206
    3   3H    MET   1           HT1      MET   1  -9.137   0.853  10.075
    4    HA   MET   1           HA       MET   1  -7.304   0.512  11.246
    5   1HB   MET   1           HB2      MET   1  -8.019  -2.420  10.939
    6   2HB   MET   1           HB1      MET   1  -6.769  -1.808  12.021
    7   1HG   MET   1           HG2      MET   1  -9.695  -1.011  12.129
    8   2HG   MET   1           HG1      MET   1  -8.936  -2.206  13.185
    9   1HE   MET   1           HE3      MET   1 -10.519  -0.315  14.270
   10   2HE   MET   1           HE2      MET   1  -9.453  -0.776  15.597
   11   3HE   MET   1           HE1      MET   1  -9.771   0.930  15.282
   12    H    VAL   2           HN       VAL   2  -5.117   0.420  10.731
   13    HA   VAL   2           HA       VAL   2  -4.455  -0.588   7.992
   14    HB   VAL   2           HB       VAL   2  -3.038   1.347   9.850
   15   1HG1  VAL   2          HG12      VAL   2  -2.218   0.113   7.210
   16   2HG1  VAL   2          HG11      VAL   2  -1.562   1.658   7.761
   17   3HG1  VAL   2          HG13      VAL   2  -1.290   0.193   8.709
   18   1HG2  VAL   2          HG22      VAL   2  -4.406   1.632   7.159
   19   2HG2  VAL   2          HG21      VAL   2  -5.000   2.256   8.696
   20   3HG2  VAL   2          HG23      VAL   2  -3.530   2.921   7.984
   21    H    LYS   3           HN       LYS   3  -2.392  -1.769   7.736
   22    HA   LYS   3           HA       LYS   3  -1.478  -3.174  10.232
   23   1HB   LYS   3           HB2      LYS   3  -3.027  -4.566   8.828
   24   2HB   LYS   3           HB1      LYS   3  -1.897  -4.399   7.489
   25   1HG   LYS   3           HG2      LYS   3  -1.190  -6.430   8.388
   26   2HG   LYS   3           HG1      LYS   3  -0.141  -5.322   9.264
   27   1HD   LYS   3           HD2      LYS   3  -1.724  -5.315  11.156
   28   2HD   LYS   3           HD1      LYS   3  -2.780  -6.420  10.273
   29   1HE   LYS   3           HE2      LYS   3  -1.421  -7.713  11.834
   30   2HE   LYS   3           HE1      LYS   3  -0.906  -8.074  10.186
   31   1HZ   LYS   3           HZ2      LYS   3   0.419  -5.913  11.679
   32   2HZ   LYS   3           HZ1      LYS   3   0.844  -7.529  11.999
   33   3HZ   LYS   3           HZ3      LYS   3   1.032  -6.895  10.435
   34    H    GLN   4           HN       GLN   4   0.716  -2.958  10.471
   35    HA   GLN   4           HA       GLN   4   2.305  -1.955   8.165
   36   1HB   GLN   4           HB2      GLN   4   2.558  -0.823  10.366
   37   2HB   GLN   4           HB1      GLN   4   3.112  -2.344  11.067
   38   1HG   GLN   4           HG2      GLN   4   5.020  -2.382   9.481
   39   2HG   GLN   4           HG1      GLN   4   4.467  -0.850   8.797
   40   1HE2  GLN   4          HE22      GLN   4   6.710   0.600  11.156
   41   2HE2  GLN   4          HE21      GLN   4   6.479   0.214   9.518
   42    H    ILE   5           HN       ILE   5   3.416  -3.376   6.947
   43    HA   ILE   5           HA       ILE   5   4.015  -6.093   8.038
   44    HB   ILE   5           HB       ILE   5   4.262  -5.104   5.192
   45   1HG1  ILE   5          HG12      ILE   5   1.934  -4.852   5.827
   46   2HG1  ILE   5          HG11      ILE   5   2.085  -6.302   4.835
   47   1HG2  ILE   5          HG23      ILE   5   4.184  -7.830   6.488
   48   2HG2  ILE   5          HG22      ILE   5   4.072  -7.562   4.755
   49   3HG2  ILE   5          HG21      ILE   5   5.534  -7.101   5.618
   50   1HD1  ILE   5          HD13      ILE   5   2.332  -7.577   7.076
   51   2HD1  ILE   5          HD12      ILE   5   1.697  -6.112   7.822
   52   3HD1  ILE   5          HD11      ILE   5   0.729  -6.990   6.640
   53    H    GLU   6           HN       GLU   6   6.063  -6.277   8.844
   54    HA   GLU   6           HA       GLU   6   8.178  -4.436   7.856
   55   1HB   GLU   6           HB2      GLU   6   8.157  -6.350  10.217
   56   2HB   GLU   6           HB1      GLU   6   9.427  -5.189   9.835
   57   1HG   GLU   6           HG2      GLU   6   8.130  -4.057  11.440
   58   2HG   GLU   6           HG1      GLU   6   7.548  -3.408   9.907
   59    H    SER   7           HN       SER   7   7.022  -7.496   7.110
   60    HA   SER   7           HA       SER   7   9.607  -8.196   5.841
   61   1HB   SER   7           HB2      SER   7   9.621 -10.473   6.814
   62   2HB   SER   7           HB1      SER   7   9.800  -9.232   8.060
   63    HG   SER   7           HG       SER   7   7.209  -9.668   7.651
   64    H    LYS   8           HN       LYS   8   9.421  -9.839   4.223
   65    HA   LYS   8           HA       LYS   8   6.945  -9.843   2.760
   66   1HB   LYS   8           HB2      LYS   8   9.268 -10.297   1.788
   67   2HB   LYS   8           HB1      LYS   8   9.154 -11.904   2.507
   68   1HG   LYS   8           HG2      LYS   8   6.919 -12.139   1.281
   69   2HG   LYS   8           HG1      LYS   8   7.381 -10.700   0.377
   70   1HD   LYS   8           HD2      LYS   8   9.057 -13.224   0.544
   71   2HD   LYS   8           HD1      LYS   8   7.978 -12.828  -0.797
   72   1HE   LYS   8           HE2      LYS   8   9.294 -10.617  -0.964
   73   2HE   LYS   8           HE1      LYS   8  10.493 -11.399   0.065
   74   1HZ   LYS   8           HZ3      LYS   8   9.660 -13.104  -2.058
   75   2HZ   LYS   8           HZ2      LYS   8  10.269 -11.636  -2.656
   76   3HZ   LYS   8           HZ1      LYS   8  11.226 -12.601  -1.634
   77    H    THR   9           HN       THR   9   8.382 -11.971   5.163
   78    HA   THR   9           HA       THR   9   6.648 -14.197   4.812
   79    HB   THR   9           HB       THR   9   7.759 -13.161   7.436
   80    HG1  THR   9           HG1      THR   9   9.519 -13.562   6.311
   81   1HG2  THR   9          HG23      THR   9   6.715 -15.873   6.559
   82   2HG2  THR   9          HG22      THR   9   7.613 -15.605   8.054
   83   3HG2  THR   9          HG21      THR   9   6.046 -14.831   7.817
   84    H    ALA  10           HN       ALA  10   6.283 -11.279   6.809
   85    HA   ALA  10           HA       ALA  10   3.636 -12.020   7.717
   86   1HB   ALA  10           HB1      ALA  10   5.244  -9.470   7.749
   87   2HB   ALA  10           HB3      ALA  10   3.534  -9.437   8.180
   88   3HB   ALA  10           HB2      ALA  10   4.662 -10.425   9.107
   89    H    PHE  11           HN       PHE  11   4.912 -10.301   4.920
   90    HA   PHE  11           HA       PHE  11   2.510  -9.071   4.008
   91   1HB   PHE  11           HB2      PHE  11   4.859  -8.813   3.033
   92   2HB   PHE  11           HB1      PHE  11   4.633 -10.377   2.269
   93    HD1  PHE  11           HD1      PHE  11   2.767  -7.142   2.672
   94    HD2  PHE  11           HD2      PHE  11   3.840 -10.389   0.070
   95    HE1  PHE  11           HE1      PHE  11   1.553  -6.053   0.807
   96    HE2  PHE  11           HE2      PHE  11   2.625  -9.296  -1.792
   97    HZ   PHE  11           HZ       PHE  11   1.478  -7.132  -1.422
   98    H    GLN  12           HN       GLN  12   3.853 -12.304   3.454
   99    HA   GLN  12           HA       GLN  12   1.765 -13.256   1.729
  100   1HB   GLN  12           HB2      GLN  12   3.603 -14.747   3.649
  101   2HB   GLN  12           HB1      GLN  12   2.626 -15.509   2.393
  102   1HG   GLN  12           HG2      GLN  12   4.736 -13.389   1.879
  103   2HG   GLN  12           HG1      GLN  12   4.991 -15.121   1.676
  104   1HE2  GLN  12          HE22      GLN  12   2.397 -15.149  -1.016
  105   2HE2  GLN  12          HE21      GLN  12   2.556 -15.901   0.494
  106    H    GLU  13           HN       GLU  13   2.250 -13.391   5.247
  107    HA   GLU  13           HA       GLU  13  -0.112 -14.890   5.872
  108   1HB   GLU  13           HB2      GLU  13   1.480 -12.882   7.503
  109   2HB   GLU  13           HB1      GLU  13   0.222 -13.902   8.172
  110   1HG   GLU  13           HG2      GLU  13   2.681 -14.943   6.741
  111   2HG   GLU  13           HG1      GLU  13   2.515 -14.845   8.497
  112    H    ALA  14           HN       ALA  14   0.472 -11.408   5.451
  113    HA   ALA  14           HA       ALA  14  -2.125 -10.602   6.399
  114   1HB   ALA  14           HB3      ALA  14  -0.050  -9.121   6.046
  115   2HB   ALA  14           HB2      ALA  14  -0.518  -9.078   4.346
  116   3HB   ALA  14           HB1      ALA  14  -1.610  -8.442   5.580
  117    H    LEU  15           HN       LEU  15  -0.848 -11.337   3.163
  118    HA   LEU  15           HA       LEU  15  -3.214 -10.692   1.716
  119   1HB   LEU  15           HB2      LEU  15  -1.040 -12.740   1.200
  120   2HB   LEU  15           HB1      LEU  15  -2.287 -12.324   0.025
  121    HG   LEU  15           HG       LEU  15  -0.440 -10.283   1.297
  122   1HD1  LEU  15          HD13      LEU  15  -0.116 -11.955  -1.189
  123   2HD1  LEU  15          HD12      LEU  15   0.606 -10.356  -1.089
  124   3HD1  LEU  15          HD11      LEU  15   1.065 -11.598   0.072
  125   1HD2  LEU  15          HD21      LEU  15  -2.534 -10.213  -0.874
  126   2HD2  LEU  15          HD23      LEU  15  -2.230  -9.060   0.424
  127   3HD2  LEU  15          HD22      LEU  15  -1.162  -9.109  -0.973
  128    H    ASP  16           HN       ASP  16  -2.156 -13.618   3.398
  129    HA   ASP  16           HA       ASP  16  -4.405 -15.221   2.585
  130   1HB   ASP  16           HB2      ASP  16  -2.180 -16.057   3.528
  131   2HB   ASP  16           HB1      ASP  16  -2.802 -15.609   5.119
  132    H    ALA  17           HN       ALA  17  -3.802 -13.039   5.290
  133    HA   ALA  17           HA       ALA  17  -6.145 -13.826   6.783
  134   1HB   ALA  17           HB3      ALA  17  -4.146 -12.636   7.739
  135   2HB   ALA  17           HB2      ALA  17  -4.694 -11.179   6.908
  136   3HB   ALA  17           HB1      ALA  17  -5.696 -11.909   8.164
  137    H    ALA  18           HN       ALA  18  -5.500 -11.312   4.373
  138    HA   ALA  18           HA       ALA  18  -7.995  -9.928   4.653
  139   1HB   ALA  18           HB1      ALA  18  -6.185 -10.257   2.242
  140   2HB   ALA  18           HB3      ALA  18  -7.543  -9.136   2.323
  141   3HB   ALA  18           HB2      ALA  18  -6.165  -8.925   3.399
  142    H    GLY  19           HN       GLY  19  -7.046 -12.822   2.884
  143   1HA   GLY  19           HA2      GLY  19  -8.383 -14.470   1.883
  144   2HA   GLY  19           HA1      GLY  19  -9.769 -13.723   2.682
  145    H    ASP  20           HN       ASP  20 -11.261 -13.157   1.216
  146    HA   ASP  20           HA       ASP  20 -10.458 -12.488  -1.548
  147   1HB   ASP  20           HB2      ASP  20 -13.189 -12.807  -0.280
  148   2HB   ASP  20           HB1      ASP  20 -12.877 -12.580  -2.002
  149    H    LYS  21           HN       LYS  21 -10.599 -10.737   1.195
  150    HA   LYS  21           HA       LYS  21 -12.166  -8.450   0.284
  151   1HB   LYS  21           HB2      LYS  21 -10.145  -8.781   2.528
  152   2HB   LYS  21           HB1      LYS  21 -11.015  -7.278   2.212
  153   1HG   LYS  21           HG2      LYS  21 -13.163  -8.667   2.381
  154   2HG   LYS  21           HG1      LYS  21 -12.153  -9.942   3.063
  155   1HD   LYS  21           HD2      LYS  21 -11.382  -8.406   4.828
  156   2HD   LYS  21           HD1      LYS  21 -12.372  -7.113   4.143
  157   1HE   LYS  21           HE2      LYS  21 -13.583  -8.109   5.987
  158   2HE   LYS  21           HE1      LYS  21 -14.388  -8.563   4.483
  159   1HZ   LYS  21           HZ2      LYS  21 -12.289 -10.365   5.245
  160   2HZ   LYS  21           HZ1      LYS  21 -13.545 -10.290   6.390
  161   3HZ   LYS  21           HZ3      LYS  21 -13.888 -10.700   4.779
  162    H    LEU  22           HN       LEU  22 -11.304  -6.448  -0.503
  163    HA   LEU  22           HA       LEU  22  -9.088  -6.664  -2.266
  164   1HB   LEU  22           HB2      LEU  22 -11.104  -4.834  -1.829
  165   2HB   LEU  22           HB1      LEU  22  -9.722  -3.962  -1.207
  166    HG   LEU  22           HG       LEU  22 -10.056  -5.082  -3.992
  167   1HD1  LEU  22          HD12      LEU  22 -10.394  -2.404  -2.728
  168   2HD1  LEU  22          HD11      LEU  22  -9.462  -2.392  -4.220
  169   3HD1  LEU  22          HD13      LEU  22 -11.093  -3.054  -4.205
  170   1HD2  LEU  22          HD21      LEU  22  -7.644  -3.890  -2.599
  171   2HD2  LEU  22          HD23      LEU  22  -7.730  -5.364  -3.562
  172   3HD2  LEU  22          HD22      LEU  22  -7.836  -3.801  -4.347
  173    H    VAL  23           HN       VAL  23  -6.936  -5.594  -1.994
  174    HA   VAL  23           HA       VAL  23  -6.156  -4.963   0.800
  175    HB   VAL  23           HB       VAL  23  -4.751  -7.007  -0.954
  176   1HG1  VAL  23          HG11      VAL  23  -3.960  -5.571   1.572
  177   2HG1  VAL  23          HG13      VAL  23  -3.413  -7.225   1.317
  178   3HG1  VAL  23          HG12      VAL  23  -2.981  -5.969   0.162
  179   1HG2  VAL  23          HG21      VAL  23  -6.355  -7.205   1.600
  180   2HG2  VAL  23          HG23      VAL  23  -6.629  -8.054   0.078
  181   3HG2  VAL  23          HG22      VAL  23  -5.240  -8.467   1.086
  182    H    VAL  24           HN       VAL  24  -5.328  -2.946   0.562
  183    HA   VAL  24           HA       VAL  24  -3.850  -2.298  -1.945
  184    HB   VAL  24           HB       VAL  24  -4.759  -0.428   0.274
  185   1HG1  VAL  24          HG13      VAL  24  -2.859   0.301  -1.234
  186   2HG1  VAL  24          HG12      VAL  24  -3.960   0.131  -2.597
  187   3HG1  VAL  24          HG11      VAL  24  -4.294   1.317  -1.337
  188   1HG2  VAL  24          HG21      VAL  24  -6.062  -1.304  -2.313
  189   2HG2  VAL  24          HG23      VAL  24  -6.747  -1.347  -0.691
  190   3HG2  VAL  24          HG22      VAL  24  -6.500   0.201  -1.497
  191    H    VAL  25           HN       VAL  25  -1.651  -1.776  -1.867
  192    HA   VAL  25           HA       VAL  25  -0.322  -1.944   0.828
  193    HB   VAL  25           HB       VAL  25   0.764  -2.923  -1.817
  194   1HG1  VAL  25          HG13      VAL  25   1.747  -3.172   1.034
  195   2HG1  VAL  25          HG12      VAL  25   2.475  -3.978  -0.354
  196   3HG1  VAL  25          HG11      VAL  25   2.500  -2.221  -0.243
  197   1HG2  VAL  25          HG23      VAL  25  -1.185  -4.237  -0.952
  198   2HG2  VAL  25          HG22      VAL  25   0.316  -5.161  -0.980
  199   3HG2  VAL  25          HG21      VAL  25  -0.288  -4.509   0.539
  200    H    ASP  26           HN       ASP  26   0.710  -0.121   1.349
  201    HA   ASP  26           HA       ASP  26   1.476   1.820  -0.788
  202   1HB   ASP  26           HB2      ASP  26   0.110   2.584   1.172
  203   2HB   ASP  26           HB1      ASP  26   1.449   2.167   2.235
  204    H    PHE  27           HN       PHE  27   3.593   1.793  -1.452
  205    HA   PHE  27           HA       PHE  27   5.678   0.587   0.310
  206   1HB   PHE  27           HB2      PHE  27   5.618   1.285  -2.627
  207   2HB   PHE  27           HB1      PHE  27   7.124   0.892  -1.802
  208    HD1  PHE  27           HD1      PHE  27   7.432  -1.325  -0.744
  209    HD2  PHE  27           HD2      PHE  27   4.014  -0.415  -3.177
  210    HE1  PHE  27           HE1      PHE  27   6.969  -3.744  -0.992
  211    HE2  PHE  27           HE2      PHE  27   3.549  -2.835  -3.410
  212    HZ   PHE  27           HZ       PHE  27   5.023  -4.504  -2.330
  213    H    SER  28           HN       SER  28   4.478   3.347   0.681
  214    HA   SER  28           HA       SER  28   6.310   5.331  -0.169
  215   1HB   SER  28           HB2      SER  28   4.692   5.257   2.390
  216   2HB   SER  28           HB1      SER  28   5.451   6.687   1.712
  217    HG   SER  28           HG       SER  28   3.189   6.398   1.161
  218    H    ALA  29           HN       ALA  29   8.187   6.166   0.701
  219    HA   ALA  29           HA       ALA  29   9.676   4.395   2.508
  220   1HB   ALA  29           HB1      ALA  29  10.315   6.804   0.841
  221   2HB   ALA  29           HB3      ALA  29  11.345   6.490   2.236
  222   3HB   ALA  29           HB2      ALA  29  11.185   5.281   0.965
  223    H    THR  30           HN       THR  30   9.718   4.703   4.699
  224    HA   THR  30           HA       THR  30   8.117   6.775   5.885
  225    HB   THR  30           HB       THR  30   8.564   4.634   7.051
  226    HG1  THR  30           HG1      THR  30   8.218   6.696   8.194
  227   1HG2  THR  30          HG23      THR  30  10.938   4.476   6.195
  228   2HG2  THR  30          HG22      THR  30  11.384   5.673   7.419
  229   3HG2  THR  30          HG21      THR  30  10.744   4.101   7.911
  230    H    TRP  31           HN       TRP  31  11.552   6.458   5.094
  231    HA   TRP  31           HA       TRP  31  12.345   8.809   6.614
  232   1HB   TRP  31           HB2      TRP  31  14.442   8.683   5.360
  233   2HB   TRP  31           HB1      TRP  31  13.973   7.080   5.938
  234    HD1  TRP  31           HD1      TRP  31  13.451   5.264   4.206
  235    HE1  TRP  31           HE1      TRP  31  13.586   5.122   1.643
  236    HE3  TRP  31           HE3      TRP  31  14.047  10.201   3.089
  237    HZ2  TRP  31           HZ2      TRP  31  13.863   6.868  -0.590
  238    HZ3  TRP  31           HZ3      TRP  31  14.223  10.934   0.728
  239    HH2  TRP  31           HH2      TRP  31  14.140   9.274  -1.108
  240    H    CYS  32           HN       CYS  32  10.830   8.374   3.513
  241    HA   CYS  32           HA       CYS  32  11.693  11.036   2.574
  242   1HB   CYS  32           HB2      CYS  32  11.243   8.975   1.071
  243   2HB   CYS  32           HB1      CYS  32   9.538   9.325   1.316
  244    H    GLY  33           HN       GLY  33  10.762  12.788   3.385
  245   1HA   GLY  33           HA2      GLY  33   8.508  12.799   5.102
  246   2HA   GLY  33           HA1      GLY  33   9.204  14.229   4.353
  247    HA   PRO  34           HA       PRO  34   5.994  14.735   1.377
  248   1HB   PRO  34           HB2      PRO  34   7.350  13.229  -0.812
  249   2HB   PRO  34           HB1      PRO  34   6.758  14.899  -0.798
  250   1HG   PRO  34           HG2      PRO  34   9.402  14.314  -0.671
  251   2HG   PRO  34           HG1      PRO  34   8.712  15.728   0.139
  252   1HD   PRO  34           HD2      PRO  34   9.689  13.180   1.329
  253   2HD   PRO  34           HD1      PRO  34   9.594  14.802   2.067
  254    H    ALA  35           HN       ALA  35   7.335  11.453   1.242
  255    HA   ALA  35           HA       ALA  35   4.844  10.250   0.348
  256   1HB   ALA  35           HB3      ALA  35   7.413   9.443   0.255
  257   2HB   ALA  35           HB2      ALA  35   6.917   8.589   1.715
  258   3HB   ALA  35           HB1      ALA  35   6.070   8.307   0.193
  259    H    LYS  36           HN       LYS  36   6.606  10.197   3.469
  260    HA   LYS  36           HA       LYS  36   4.591   8.784   4.907
  261   1HB   LYS  36           HB2      LYS  36   6.943   9.226   5.706
  262   2HB   LYS  36           HB1      LYS  36   6.453  10.889   6.051
  263   1HG   LYS  36           HG2      LYS  36   4.587   9.929   7.483
  264   2HG   LYS  36           HG1      LYS  36   5.345   8.348   7.285
  265   1HD   LYS  36           HD2      LYS  36   7.451   9.274   8.245
  266   2HD   LYS  36           HD1      LYS  36   6.622  10.810   8.515
  267   1HE   LYS  36           HE2      LYS  36   4.976   9.669   9.959
  268   2HE   LYS  36           HE1      LYS  36   5.812   8.140   9.703
  269   1HZ   LYS  36           HZ1      LYS  36   7.702  10.037  10.484
  270   2HZ   LYS  36           HZ3      LYS  36   6.400  10.147  11.565
  271   3HZ   LYS  36           HZ2      LYS  36   7.187   8.658  11.334
  272    H    MET  37           HN       MET  37   5.008  12.211   4.203
  273    HA   MET  37           HA       MET  37   3.015  13.269   5.929
  274   1HB   MET  37           HB2      MET  37   4.712  14.586   4.596
  275   2HB   MET  37           HB1      MET  37   3.731  14.285   3.166
  276   1HG   MET  37           HG2      MET  37   2.519  15.520   5.642
  277   2HG   MET  37           HG1      MET  37   3.347  16.512   4.445
  278   1HE   MET  37           HE1      MET  37   2.948  16.024   1.860
  279   2HE   MET  37           HE3      MET  37   1.316  16.454   1.336
  280   3HE   MET  37           HE2      MET  37   2.198  17.506   2.440
  281    H    ILE  38           HN       ILE  38   2.798  11.627   2.862
  282    HA   ILE  38           HA       ILE  38   0.024  12.350   2.347
  283    HB   ILE  38           HB       ILE  38   1.893  10.305   1.102
  284   1HG1  ILE  38          HG12      ILE  38   0.705  12.823  -0.094
  285   2HG1  ILE  38          HG11      ILE  38   2.226  12.839   0.792
  286   1HG2  ILE  38          HG21      ILE  38  -1.019  10.893   0.596
  287   2HG2  ILE  38          HG23      ILE  38   0.018  10.415  -0.747
  288   3HG2  ILE  38          HG22      ILE  38  -0.189   9.340   0.627
  289   1HD1  ILE  38          HD13      ILE  38   2.981  10.965  -0.795
  290   2HD1  ILE  38          HD12      ILE  38   1.584  11.388  -1.775
  291   3HD1  ILE  38          HD11      ILE  38   2.850  12.575  -1.483
  292    H    LYS  39           HN       LYS  39   1.370  10.280   4.619
  293    HA   LYS  39           HA       LYS  39  -0.232   7.971   4.259
  294   1HB   LYS  39           HB2      LYS  39   0.342   7.241   6.407
  295   2HB   LYS  39           HB1      LYS  39   1.742   8.122   5.830
  296   1HG   LYS  39           HG2      LYS  39   1.279   9.980   7.258
  297   2HG   LYS  39           HG1      LYS  39  -0.355   9.426   7.611
  298   1HD   LYS  39           HD2      LYS  39   2.191   8.002   8.421
  299   2HD   LYS  39           HD1      LYS  39   1.214   9.015   9.480
  300   1HE   LYS  39           HE2      LYS  39   0.222   7.012  10.023
  301   2HE   LYS  39           HE1      LYS  39  -0.707   7.306   8.555
  302   1HZ   LYS  39           HZ1      LYS  39   1.475   6.193   7.532
  303   2HZ   LYS  39           HZ3      LYS  39   1.443   5.415   9.044
  304   3HZ   LYS  39           HZ2      LYS  39   0.102   5.301   7.999
  305    HA   PRO  40           HA       PRO  40  -3.443  10.043   7.313
  306   1HB   PRO  40           HB2      PRO  40  -3.769  12.570   5.770
  307   2HB   PRO  40           HB1      PRO  40  -3.798  12.314   7.525
  308   1HG   PRO  40           HG2      PRO  40  -1.710  13.504   6.338
  309   2HG   PRO  40           HG1      PRO  40  -1.472  12.394   7.706
  310   1HD   PRO  40           HD2      PRO  40  -1.030  11.911   4.787
  311   2HD   PRO  40           HD1      PRO  40  -0.079  11.319   6.167
  312    H    PHE  41           HN       PHE  41  -3.417  10.803   3.788
  313    HA   PHE  41           HA       PHE  41  -6.260  10.307   3.517
  314   1HB   PHE  41           HB2      PHE  41  -4.003  10.190   1.485
  315   2HB   PHE  41           HB1      PHE  41  -5.712  10.043   1.092
  316    HD1  PHE  41           HD2      PHE  41  -3.276  12.334   2.778
  317    HD2  PHE  41           HD1      PHE  41  -7.028  11.927   0.719
  318    HE1  PHE  41           HE2      PHE  41  -3.522  14.806   2.733
  319    HE2  PHE  41           HE1      PHE  41  -7.271  14.388   0.678
  320    HZ   PHE  41           HZ       PHE  41  -5.523  15.830   1.681
  321    H    PHE  42           HN       PHE  42  -3.358   8.363   2.847
  322    HA   PHE  42           HA       PHE  42  -4.692   5.981   2.040
  323   1HB   PHE  42           HB2      PHE  42  -2.313   6.369   1.653
  324   2HB   PHE  42           HB1      PHE  42  -1.998   6.390   3.389
  325    HD1  PHE  42           HD1      PHE  42  -3.144   4.282   0.570
  326    HD2  PHE  42           HD2      PHE  42  -1.753   4.353   4.630
  327    HE1  PHE  42           HE1      PHE  42  -2.928   1.821   0.534
  328    HE2  PHE  42           HE2      PHE  42  -1.531   1.880   4.597
  329    HZ   PHE  42           HZ       PHE  42  -2.121   0.613   2.545
  330    H    HIS  43           HN       HIS  43  -3.398   6.897   5.225
  331    HA   HIS  43           HA       HIS  43  -4.420   4.603   6.615
  332   1HB   HIS  43           HB2      HIS  43  -2.530   5.941   7.425
  333   2HB   HIS  43           HB1      HIS  43  -3.577   7.344   7.622
  334    HD1  HIS  43           HD1      HIS  43  -2.574   4.151   9.255
  335    HD2  HIS  43           HD2      HIS  43  -5.442   7.118   9.790
  336    HE1  HIS  43           HE1      HIS  43  -3.641   3.715  11.515
  337    H    SER  44           HN       SER  44  -5.717   7.910   6.145
  338    HA   SER  44           HA       SER  44  -7.975   7.658   7.872
  339   1HB   SER  44           HB2      SER  44  -7.671   9.295   5.339
  340   2HB   SER  44           HB1      SER  44  -9.013   9.445   6.465
  341    HG   SER  44           HG       SER  44  -6.405   9.565   7.476
  342    H    LEU  45           HN       LEU  45  -7.553   6.765   4.465
  343    HA   LEU  45           HA       LEU  45 -10.286   6.174   3.913
  344   1HB   LEU  45           HB2      LEU  45  -7.724   5.140   2.720
  345   2HB   LEU  45           HB1      LEU  45  -9.306   4.721   2.078
  346    HG   LEU  45           HG       LEU  45  -8.539   7.617   2.512
  347   1HD1  LEU  45          HD12      LEU  45  -7.873   5.863   0.134
  348   2HD1  LEU  45          HD11      LEU  45  -7.932   7.624   0.047
  349   3HD1  LEU  45          HD13      LEU  45  -6.762   6.831   1.106
  350   1HD2  LEU  45          HD23      LEU  45 -10.564   6.124   0.827
  351   2HD2  LEU  45          HD22      LEU  45 -10.843   7.366   2.046
  352   3HD2  LEU  45          HD21      LEU  45 -10.134   7.801   0.496
  353    H    SER  46           HN       SER  46  -7.917   4.403   5.718
  354    HA   SER  46           HA       SER  46  -8.894   1.779   5.372
  355   1HB   SER  46           HB2      SER  46  -7.865   3.036   7.931
  356   2HB   SER  46           HB1      SER  46  -8.010   1.310   7.629
  357    HG   SER  46           HG       SER  46  -6.135   3.125   6.744
  358    H    GLU  47           HN       GLU  47 -10.124   4.457   7.310
  359    HA   GLU  47           HA       GLU  47 -12.246   2.762   8.469
  360   1HB   GLU  47           HB2      GLU  47 -11.640   5.734   8.667
  361   2HB   GLU  47           HB1      GLU  47 -13.017   4.962   9.449
  362   1HG   GLU  47           HG2      GLU  47 -11.283   5.039  11.097
  363   2HG   GLU  47           HG1      GLU  47 -11.360   3.367  10.543
  364    H    LYS  48           HN       LYS  48 -11.789   4.766   5.657
  365    HA   LYS  48           HA       LYS  48 -14.634   5.350   5.285
  366   1HB   LYS  48           HB2      LYS  48 -12.824   6.752   4.242
  367   2HB   LYS  48           HB1      LYS  48 -12.429   5.387   3.195
  368   1HG   LYS  48           HG2      LYS  48 -14.796   5.377   2.373
  369   2HG   LYS  48           HG1      LYS  48 -15.101   6.825   3.328
  370   1HD   LYS  48           HD2      LYS  48 -12.896   6.707   1.267
  371   2HD   LYS  48           HD1      LYS  48 -14.539   7.156   0.840
  372   1HE   LYS  48           HE2      LYS  48 -14.455   8.970   2.561
  373   2HE   LYS  48           HE1      LYS  48 -12.763   8.570   2.858
  374   1HZ   LYS  48           HZ3      LYS  48 -12.998   8.830   0.127
  375   2HZ   LYS  48           HZ2      LYS  48 -13.896  10.125   0.772
  376   3HZ   LYS  48           HZ1      LYS  48 -12.262   9.924   1.197
  377    H    TYR  49           HN       TYR  49 -12.284   2.954   4.213
  378    HA   TYR  49           HA       TYR  49 -14.568   1.276   3.184
  379   1HB   TYR  49           HB2      TYR  49 -11.718   1.395   2.119
  380   2HB   TYR  49           HB1      TYR  49 -12.951   0.255   1.591
  381    HD1  TYR  49           HD2      TYR  49 -15.178   1.234   0.702
  382    HD2  TYR  49           HD1      TYR  49 -11.563   3.521   1.102
  383    HE1  TYR  49           HE2      TYR  49 -16.075   2.924  -0.871
  384    HE2  TYR  49           HE1      TYR  49 -12.462   5.211  -0.476
  385    HH   TYR  49           HH       TYR  49 -14.456   5.968  -1.430
  386    H    SER  50           HN       SER  50 -14.404   0.864   5.610
  387    HA   SER  50           HA       SER  50 -12.215  -0.583   6.721
  388   1HB   SER  50           HB2      SER  50 -13.720  -1.066   8.538
  389   2HB   SER  50           HB1      SER  50 -14.077   0.562   7.978
  390    HG   SER  50           HG       SER  50 -15.755  -1.412   8.195
  391    H    ASN  51           HN       ASN  51 -14.369  -1.439   4.298
  392    HA   ASN  51           HA       ASN  51 -14.335  -4.338   4.910
  393   1HB   ASN  51           HB2      ASN  51 -16.358  -3.145   3.891
  394   2HB   ASN  51           HB1      ASN  51 -15.407  -2.998   2.417
  395   1HD2  ASN  51          HD22      ASN  51 -16.020  -6.313   1.426
  396   2HD2  ASN  51          HD21      ASN  51 -15.419  -4.779   1.022
  397    H    VAL  52           HN       VAL  52 -12.101  -2.312   3.981
  398    HA   VAL  52           HA       VAL  52 -10.837  -4.211   2.059
  399    HB   VAL  52           HB       VAL  52 -10.860  -1.181   1.933
  400   1HG1  VAL  52          HG11      VAL  52  -8.931  -3.197   0.814
  401   2HG1  VAL  52          HG13      VAL  52  -9.363  -1.814  -0.196
  402   3HG1  VAL  52          HG12      VAL  52  -8.632  -1.561   1.387
  403   1HG2  VAL  52          HG23      VAL  52 -11.733  -3.404   0.060
  404   2HG2  VAL  52          HG22      VAL  52 -12.754  -2.187   0.822
  405   3HG2  VAL  52          HG21      VAL  52 -11.606  -1.716  -0.433
  406    H    ILE  53           HN       ILE  53  -8.659  -4.626   2.506
  407    HA   ILE  53           HA       ILE  53  -7.744  -3.618   5.167
  408    HB   ILE  53           HB       ILE  53  -6.507  -5.779   3.435
  409   1HG1  ILE  53          HG12      ILE  53  -8.805  -6.442   3.846
  410   2HG1  ILE  53          HG11      ILE  53  -7.774  -7.359   4.943
  411   1HG2  ILE  53          HG23      ILE  53  -5.264  -4.671   5.421
  412   2HG2  ILE  53          HG22      ILE  53  -6.425  -5.508   6.444
  413   3HG2  ILE  53          HG21      ILE  53  -5.354  -6.430   5.391
  414   1HD1  ILE  53          HD11      ILE  53  -8.248  -5.411   6.627
  415   2HD1  ILE  53          HD13      ILE  53  -9.610  -5.057   5.567
  416   3HD1  ILE  53          HD12      ILE  53  -9.497  -6.625   6.357
  417    H    PHE  54           HN       PHE  54  -6.296  -1.953   5.198
  418    HA   PHE  54           HA       PHE  54  -4.692  -1.343   2.744
  419   1HB   PHE  54           HB2      PHE  54  -5.337   0.274   5.232
  420   2HB   PHE  54           HB1      PHE  54  -4.256   0.832   3.956
  421    HD1  PHE  54           HD1      PHE  54  -7.743  -0.420   4.531
  422    HD2  PHE  54           HD2      PHE  54  -5.138   1.944   2.072
  423    HE1  PHE  54           HE1      PHE  54  -9.702   0.436   3.266
  424    HE2  PHE  54           HE2      PHE  54  -7.092   2.786   0.805
  425    HZ   PHE  54           HZ       PHE  54  -9.372   2.031   1.405
  426    H    LEU  55           HN       LEU  55  -2.526  -1.946   2.785
  427    HA   LEU  55           HA       LEU  55  -1.240  -2.482   5.443
  428   1HB   LEU  55           HB2      LEU  55  -0.674  -3.598   2.681
  429   2HB   LEU  55           HB1      LEU  55   0.474  -3.760   4.011
  430    HG   LEU  55           HG       LEU  55  -0.950  -5.184   5.233
  431   1HD1  LEU  55          HD11      LEU  55  -3.198  -4.160   3.491
  432   2HD1  LEU  55          HD13      LEU  55  -3.352  -5.589   4.509
  433   3HD1  LEU  55          HD12      LEU  55  -3.024  -4.029   5.245
  434   1HD2  LEU  55          HD23      LEU  55  -0.074  -6.224   3.137
  435   2HD2  LEU  55          HD22      LEU  55  -1.570  -6.963   3.710
  436   3HD2  LEU  55          HD21      LEU  55  -1.606  -5.840   2.352
  437    H    GLU  56           HN       GLU  56   0.780  -1.574   5.877
  438    HA   GLU  56           HA       GLU  56   1.694   0.555   3.963
  439   1HB   GLU  56           HB2      GLU  56   0.924   1.356   6.250
  440   2HB   GLU  56           HB1      GLU  56   2.244   0.414   6.945
  441   1HG   GLU  56           HG2      GLU  56   3.838   1.674   5.454
  442   2HG   GLU  56           HG1      GLU  56   2.488   2.707   4.975
  443    H    VAL  57           HN       VAL  57   3.682   0.203   3.110
  444    HA   VAL  57           HA       VAL  57   5.454  -1.845   4.407
  445    HB   VAL  57           HB       VAL  57   4.953  -1.343   1.465
  446   1HG1  VAL  57          HG13      VAL  57   6.939  -3.088   2.934
  447   2HG1  VAL  57          HG12      VAL  57   6.464  -3.399   1.265
  448   3HG1  VAL  57          HG11      VAL  57   7.268  -1.887   1.685
  449   1HG2  VAL  57          HG21      VAL  57   3.226  -2.651   2.768
  450   2HG2  VAL  57          HG23      VAL  57   4.003  -3.567   1.477
  451   3HG2  VAL  57          HG22      VAL  57   4.490  -3.821   3.152
  452    H    ASP  58           HN       ASP  58   7.494  -1.197   4.785
  453    HA   ASP  58           HA       ASP  58   8.362   1.513   3.892
  454   1HB   ASP  58           HB2      ASP  58   8.498   0.708   6.316
  455   2HB   ASP  58           HB1      ASP  58   9.748  -0.412   5.764
  456    H    VAL  59           HN       VAL  59   9.609   1.554   2.016
  457    HA   VAL  59           HA       VAL  59  10.699  -0.869   0.882
  458    HB   VAL  59           HB       VAL  59  11.933   0.641  -0.641
  459   1HG1  VAL  59          HG11      VAL  59   9.069   1.405  -0.045
  460   2HG1  VAL  59          HG13      VAL  59   9.926   1.900  -1.502
  461   3HG1  VAL  59          HG12      VAL  59   9.628   0.191  -1.187
  462   1HG2  VAL  59          HG23      VAL  59  11.036   2.727   1.348
  463   2HG2  VAL  59          HG22      VAL  59  12.662   2.416   0.745
  464   3HG2  VAL  59          HG21      VAL  59  11.457   3.151  -0.310
  465    H    ASP  60           HN       ASP  60  11.717   1.313   3.351
  466    HA   ASP  60           HA       ASP  60  14.558   0.486   3.142
  467   1HB   ASP  60           HB2      ASP  60  13.033   2.523   4.743
  468   2HB   ASP  60           HB1      ASP  60  14.658   2.070   5.210
  469    H    ASP  61           HN       ASP  61  11.843   0.056   5.506
  470    HA   ASP  61           HA       ASP  61  13.646  -1.729   7.101
  471   1HB   ASP  61           HB2      ASP  61  10.821  -0.776   7.692
  472   2HB   ASP  61           HB1      ASP  61  11.777  -1.820   8.734
  473    H    ALA  62           HN       ALA  62  11.124  -1.793   4.787
  474    HA   ALA  62           HA       ALA  62  10.896  -4.766   5.073
  475   1HB   ALA  62           HB3      ALA  62   8.817  -2.702   4.310
  476   2HB   ALA  62           HB2      ALA  62   8.649  -4.392   3.853
  477   3HB   ALA  62           HB1      ALA  62   8.721  -3.944   5.554
  478    H    GLN  63           HN       GLN  63  12.953  -3.476   3.660
  479    HA   GLN  63           HA       GLN  63  12.436  -3.002   0.911
  480   1HB   GLN  63           HB2      GLN  63  14.823  -3.281   0.574
  481   2HB   GLN  63           HB1      GLN  63  14.584  -2.482   2.131
  482   1HG   GLN  63           HG2      GLN  63  14.689  -4.765   3.213
  483   2HG   GLN  63           HG1      GLN  63  15.203  -5.402   1.651
  484   1HE2  GLN  63          HE22      GLN  63  18.528  -4.645   2.491
  485   2HE2  GLN  63          HE21      GLN  63  17.417  -5.795   1.927
  486    H    ASP  64           HN       ASP  64  12.525  -5.987   2.683
  487    HA   ASP  64           HA       ASP  64  13.226  -7.758   0.564
  488   1HB   ASP  64           HB2      ASP  64  11.910  -9.456   1.917
  489   2HB   ASP  64           HB1      ASP  64  13.165  -8.615   2.818
  490    H    VAL  65           HN       VAL  65  10.129  -6.325   1.531
  491    HA   VAL  65           HA       VAL  65   8.610  -7.858  -0.400
  492    HB   VAL  65           HB       VAL  65   7.868  -5.201   0.854
  493   1HG1  VAL  65          HG13      VAL  65   6.462  -6.027  -1.030
  494   2HG1  VAL  65          HG12      VAL  65   6.185  -7.522  -0.142
  495   3HG1  VAL  65          HG11      VAL  65   5.583  -5.990   0.492
  496   1HG2  VAL  65          HG21      VAL  65   7.947  -7.976   1.990
  497   2HG2  VAL  65          HG23      VAL  65   8.249  -6.435   2.783
  498   3HG2  VAL  65          HG22      VAL  65   6.601  -6.946   2.443
  499    H    ALA  66           HN       ALA  66   9.889  -4.541  -0.278
  500    HA   ALA  66           HA       ALA  66   8.828  -3.827  -2.841
  501   1HB   ALA  66           HB2      ALA  66   9.866  -2.405  -0.799
  502   2HB   ALA  66           HB1      ALA  66  11.268  -2.419  -1.869
  503   3HB   ALA  66           HB3      ALA  66   9.730  -1.762  -2.439
  504    H    SER  67           HN       SER  67  11.974  -5.129  -1.823
  505    HA   SER  67           HA       SER  67  13.294  -4.853  -4.342
  506   1HB   SER  67           HB2      SER  67  14.809  -6.592  -3.508
  507   2HB   SER  67           HB1      SER  67  14.417  -5.483  -2.200
  508    HG   SER  67           HG       SER  67  13.327  -7.013  -1.223
  509    H    GLU  68           HN       GLU  68  11.097  -7.306  -3.061
  510    HA   GLU  68           HA       GLU  68  11.367  -9.206  -5.184
  511   1HB   GLU  68           HB2      GLU  68  10.252  -9.695  -3.018
  512   2HB   GLU  68           HB1      GLU  68   8.939  -8.603  -3.458
  513   1HG   GLU  68           HG2      GLU  68   8.485 -10.034  -5.467
  514   2HG   GLU  68           HG1      GLU  68   9.729 -11.152  -4.909
  515    H    ALA  69           HN       ALA  69   9.290  -6.350  -4.778
  516    HA   ALA  69           HA       ALA  69   7.955  -6.839  -7.348
  517   1HB   ALA  69           HB3      ALA  69   7.771  -4.610  -5.320
  518   2HB   ALA  69           HB2      ALA  69   6.868  -4.610  -6.832
  519   3HB   ALA  69           HB1      ALA  69   6.583  -5.875  -5.637
  520    H    GLU  70           HN       GLU  70  10.949  -5.634  -6.590
  521    HA   GLU  70           HA       GLU  70  12.433  -4.208  -7.723
  522   1HB   GLU  70           HB2      GLU  70  10.573  -4.970  -9.992
  523   2HB   GLU  70           HB1      GLU  70  12.066  -4.062 -10.216
  524   1HG   GLU  70           HG2      GLU  70  12.615  -6.347 -10.622
  525   2HG   GLU  70           HG1      GLU  70  13.260  -5.961  -9.027
  526    H    VAL  71           HN       VAL  71  10.660  -2.729  -6.245
  527    HA   VAL  71           HA       VAL  71   9.099  -0.871  -7.782
  528    HB   VAL  71           HB       VAL  71  10.383  -0.420  -5.069
  529   1HG1  VAL  71          HG13      VAL  71   8.047   0.849  -6.531
  530   2HG1  VAL  71          HG12      VAL  71   8.376   1.101  -4.820
  531   3HG1  VAL  71          HG11      VAL  71   9.542   1.637  -6.034
  532   1HG2  VAL  71          HG23      VAL  71   7.716  -1.660  -5.859
  533   2HG2  VAL  71          HG22      VAL  71   9.057  -2.485  -5.062
  534   3HG2  VAL  71          HG21      VAL  71   8.163  -1.226  -4.209
  535    H    LYS  72           HN       LYS  72   9.712   0.927  -8.882
  536    HA   LYS  72           HA       LYS  72  12.600   1.642  -8.861
  537   1HB   LYS  72           HB2      LYS  72  10.397   2.211 -10.852
  538   2HB   LYS  72           HB1      LYS  72  12.069   2.753 -11.023
  539   1HG   LYS  72           HG2      LYS  72  12.686   0.235 -10.717
  540   2HG   LYS  72           HG1      LYS  72  10.992  -0.075 -11.090
  541   1HD   LYS  72           HD2      LYS  72  11.260   1.230 -13.201
  542   2HD   LYS  72           HD1      LYS  72  12.977   1.409 -12.840
  543   1HE   LYS  72           HE2      LYS  72  13.271  -1.016 -12.875
  544   2HE   LYS  72           HE1      LYS  72  11.537  -1.244 -13.134
  545   1HZ   LYS  72           HZ3      LYS  72  12.523   0.556 -15.049
  546   2HZ   LYS  72           HZ2      LYS  72  13.518  -0.823 -15.049
  547   3HZ   LYS  72           HZ1      LYS  72  11.840  -0.979 -15.292
  548    H    ALA  73           HN       ALA  73   9.643   2.797  -7.603
  549    HA   ALA  73           HA       ALA  73  10.919   5.298  -6.811
  550   1HB   ALA  73           HB2      ALA  73   9.091   5.215  -9.131
  551   2HB   ALA  73           HB1      ALA  73   8.731   6.483  -7.965
  552   3HB   ALA  73           HB3      ALA  73  10.324   6.405  -8.720
  553    H    THR  74           HN       THR  74   9.642   6.527  -5.266
  554    HA   THR  74           HA       THR  74   7.214   5.134  -4.202
  555    HB   THR  74           HB       THR  74   7.977   5.508  -1.922
  556    HG1  THR  74           HG1      THR  74  10.036   6.537  -1.624
  557   1HG2  THR  74          HG21      THR  74  10.284   4.505  -3.581
  558   2HG2  THR  74          HG23      THR  74  10.071   4.237  -1.852
  559   3HG2  THR  74          HG22      THR  74   8.932   3.535  -3.001
  560    HA   PRO  75           HA       PRO  75   5.826   5.762  -2.382
  561   1HB   PRO  75           HB2      PRO  75   3.246   6.763  -2.404
  562   2HB   PRO  75           HB1      PRO  75   4.479   7.207  -1.221
  563   1HG   PRO  75           HG2      PRO  75   3.432   8.785  -3.507
  564   2HG   PRO  75           HG1      PRO  75   4.155   9.341  -1.995
  565   1HD   PRO  75           HD2      PRO  75   5.435   9.246  -4.529
  566   2HD   PRO  75           HD1      PRO  75   6.239   9.514  -2.955
  567    H    THR  76           HN       THR  76   4.807   3.884  -3.086
  568    HA   THR  76           HA       THR  76   3.421   3.958  -5.743
  569    HB   THR  76           HB       THR  76   5.367   1.832  -4.811
  570    HG1  THR  76           HG1      THR  76   5.898   2.949  -7.172
  571   1HG2  THR  76          HG21      THR  76   3.596   2.056  -7.234
  572   2HG2  THR  76          HG23      THR  76   4.976   0.960  -7.160
  573   3HG2  THR  76          HG22      THR  76   3.625   0.759  -6.041
  574    H    PHE  77           HN       PHE  77   1.551   2.929  -5.766
  575    HA   PHE  77           HA       PHE  77   0.707   1.429  -3.318
  576   1HB   PHE  77           HB2      PHE  77  -0.939   2.891  -5.402
  577   2HB   PHE  77           HB1      PHE  77  -1.588   2.065  -3.983
  578    HD1  PHE  77           HD1      PHE  77  -1.193   2.946  -1.716
  579    HD2  PHE  77           HD2      PHE  77   0.268   5.010  -5.196
  580    HE1  PHE  77           HE1      PHE  77  -0.774   4.968  -0.341
  581    HE2  PHE  77           HE2      PHE  77   0.687   7.034  -3.813
  582    HZ   PHE  77           HZ       PHE  77   0.168   7.012  -1.386
  583    H    GLN  78           HN       GLN  78   0.250  -0.709  -3.555
  584    HA   GLN  78           HA       GLN  78  -0.231  -1.769  -6.327
  585   1HB   GLN  78           HB2      GLN  78   1.329  -3.014  -4.053
  586   2HB   GLN  78           HB1      GLN  78   0.816  -3.908  -5.483
  587   1HG   GLN  78           HG2      GLN  78   2.030  -2.173  -6.872
  588   2HG   GLN  78           HG1      GLN  78   2.692  -1.529  -5.372
  589   1HE2  GLN  78          HE22      GLN  78   5.367  -3.796  -5.847
  590   2HE2  GLN  78          HE21      GLN  78   4.885  -2.170  -5.795
  591    H    PHE  79           HN       PHE  79  -1.920  -3.165  -6.530
  592    HA   PHE  79           HA       PHE  79  -3.646  -3.520  -4.103
  593   1HB   PHE  79           HB2      PHE  79  -4.294  -3.515  -7.059
  594   2HB   PHE  79           HB1      PHE  79  -5.465  -3.848  -5.780
  595    HD1  PHE  79           HD2      PHE  79  -3.100  -1.319  -7.096
  596    HD2  PHE  79           HD1      PHE  79  -6.388  -2.070  -4.462
  597    HE1  PHE  79           HE2      PHE  79  -3.337   1.107  -6.693
  598    HE2  PHE  79           HE1      PHE  79  -6.636   0.356  -4.054
  599    HZ   PHE  79           HZ       PHE  79  -5.109   1.954  -5.176
  600    H    PHE  80           HN       PHE  80  -4.049  -5.518  -3.377
  601    HA   PHE  80           HA       PHE  80  -3.391  -7.851  -5.121
  602   1HB   PHE  80           HB2      PHE  80  -2.811  -7.458  -2.186
  603   2HB   PHE  80           HB1      PHE  80  -2.784  -9.036  -2.965
  604    HD1  PHE  80           HD2      PHE  80  -1.110  -5.725  -2.756
  605    HD2  PHE  80           HD1      PHE  80  -1.070  -9.634  -4.568
  606    HE1  PHE  80           HE2      PHE  80   1.214  -5.350  -3.536
  607    HE2  PHE  80           HE1      PHE  80   1.253  -9.245  -5.344
  608    HZ   PHE  80           HZ       PHE  80   2.395  -7.105  -4.827
  609    H    LYS  81           HN       LYS  81  -4.827  -9.607  -4.990
  610    HA   LYS  81           HA       LYS  81  -7.094  -9.436  -3.073
  611   1HB   LYS  81           HB2      LYS  81  -7.612  -8.226  -5.330
  612   2HB   LYS  81           HB1      LYS  81  -7.650  -9.847  -6.021
  613   1HG   LYS  81           HG2      LYS  81  -9.340 -10.463  -4.246
  614   2HG   LYS  81           HG1      LYS  81  -9.391  -8.762  -3.790
  615   1HD   LYS  81           HD2      LYS  81  -9.934  -8.244  -6.211
  616   2HD   LYS  81           HD1      LYS  81 -10.153  -9.974  -6.454
  617   1HE   LYS  81           HE2      LYS  81 -11.921 -10.038  -4.790
  618   2HE   LYS  81           HE1      LYS  81 -11.637  -8.341  -4.372
  619   1HZ   LYS  81           HZ3      LYS  81 -12.057  -7.939  -6.855
  620   2HZ   LYS  81           HZ2      LYS  81 -12.782  -9.476  -6.844
  621   3HZ   LYS  81           HZ1      LYS  81 -13.393  -8.239  -5.855
  622    H    LYS  82           HN       LYS  82  -7.418 -11.471  -2.302
  623    HA   LYS  82           HA       LYS  82  -7.218 -13.796  -2.061
  624   1HB   LYS  82           HB2      LYS  82  -7.290 -13.759  -5.100
  625   2HB   LYS  82           HB1      LYS  82  -7.507 -15.178  -4.079
  626   1HG   LYS  82           HG2      LYS  82  -9.440 -14.004  -2.991
  627   2HG   LYS  82           HG1      LYS  82  -9.293 -12.751  -4.214
  628   1HD   LYS  82           HD2      LYS  82  -9.539 -14.490  -5.978
  629   2HD   LYS  82           HD1      LYS  82  -9.809 -15.685  -4.710
  630   1HE   LYS  82           HE2      LYS  82 -11.978 -14.992  -5.453
  631   2HE   LYS  82           HE1      LYS  82 -11.716 -14.215  -3.895
  632   1HZ   LYS  82           HZ2      LYS  82 -10.933 -12.808  -6.356
  633   2HZ   LYS  82           HZ1      LYS  82 -12.571 -12.848  -5.913
  634   3HZ   LYS  82           HZ3      LYS  82 -11.427 -12.172  -4.859
  635    H    GLY  83           HN       GLY  83  -4.868 -11.954  -2.510
  636   1HA   GLY  83           HA2      GLY  83  -2.555 -12.344  -2.282
  637   2HA   GLY  83           HA1      GLY  83  -2.831 -14.046  -2.643
  638    H    GLN  84           HN       GLN  84  -4.285 -11.855  -4.849
  639    HA   GLN  84           HA       GLN  84  -2.098 -12.370  -6.838
  640   1HB   GLN  84           HB2      GLN  84  -5.064 -11.961  -7.348
  641   2HB   GLN  84           HB1      GLN  84  -3.843 -12.295  -8.569
  642   1HG   GLN  84           HG2      GLN  84  -4.522 -14.156  -6.272
  643   2HG   GLN  84           HG1      GLN  84  -5.142 -14.328  -7.911
  644   1HE2  GLN  84          HE22      GLN  84  -1.181 -15.147  -7.192
  645   2HE2  GLN  84          HE21      GLN  84  -2.040 -14.145  -6.122
  646    H    LYS  85           HN       LYS  85  -1.274 -10.608  -7.951
  647    HA   LYS  85           HA       LYS  85  -2.053  -7.923  -7.006
  648   1HB   LYS  85           HB2      LYS  85   0.331  -8.527  -7.479
  649   2HB   LYS  85           HB1      LYS  85  -0.096  -8.723  -9.179
  650   1HG   LYS  85           HG2      LYS  85  -0.812  -6.378  -9.296
  651   2HG   LYS  85           HG1      LYS  85  -0.473  -6.175  -7.579
  652   1HD   LYS  85           HD2      LYS  85   1.427  -5.293  -8.741
  653   2HD   LYS  85           HD1      LYS  85   1.926  -6.851  -8.085
  654   1HE   LYS  85           HE2      LYS  85   1.771  -7.915 -10.209
  655   2HE   LYS  85           HE1      LYS  85   0.845  -6.577 -10.901
  656   1HZ   LYS  85           HZ1      LYS  85   3.601  -6.240  -9.884
  657   2HZ   LYS  85           HZ3      LYS  85   3.283  -6.716 -11.481
  658   3HZ   LYS  85           HZ2      LYS  85   2.725  -5.215 -10.916
  659    H    VAL  86           HN       VAL  86  -3.685  -6.830  -7.958
  660    HA   VAL  86           HA       VAL  86  -4.366  -7.453 -10.811
  661    HB   VAL  86           HB       VAL  86  -6.719  -6.863 -10.164
  662   1HG1  VAL  86          HG12      VAL  86  -5.767  -9.246 -10.143
  663   2HG1  VAL  86          HG11      VAL  86  -5.607  -9.070  -8.397
  664   3HG1  VAL  86          HG13      VAL  86  -7.197  -8.986  -9.151
  665   1HG2  VAL  86          HG22      VAL  86  -6.107  -5.488  -8.189
  666   2HG2  VAL  86          HG21      VAL  86  -7.253  -6.760  -7.761
  667   3HG2  VAL  86          HG23      VAL  86  -5.544  -6.942  -7.364
  668    H    GLY  87           HN       GLY  87  -2.754  -5.185  -9.225
  669   1HA   GLY  87           HA2      GLY  87  -3.259  -3.147 -11.150
  670   2HA   GLY  87           HA1      GLY  87  -4.172  -2.750  -9.703
  671    H    GLU  88           HN       GLU  88  -2.033  -1.209 -10.774
  672    HA   GLU  88           HA       GLU  88  -0.446  -0.848  -8.392
  673   1HB   GLU  88           HB2      GLU  88   1.075  -2.493  -9.005
  674   2HB   GLU  88           HB1      GLU  88   0.637  -2.398 -10.700
  675   1HG   GLU  88           HG2      GLU  88   2.964  -1.657 -10.284
  676   2HG   GLU  88           HG1      GLU  88   1.990  -0.362 -10.962
  677    H    PHE  89           HN       PHE  89   0.600   1.200  -8.436
  678    HA   PHE  89           HA       PHE  89   0.970   2.645 -10.897
  679   1HB   PHE  89           HB2      PHE  89  -0.714   4.294 -10.818
  680   2HB   PHE  89           HB1      PHE  89  -1.567   2.779 -10.545
  681    HD1  PHE  89           HD1      PHE  89  -0.094   5.727  -8.864
  682    HD2  PHE  89           HD2      PHE  89  -2.798   2.417  -8.516
  683    HE1  PHE  89           HE1      PHE  89  -1.002   6.704  -6.772
  684    HE2  PHE  89           HE2      PHE  89  -3.711   3.388  -6.413
  685    HZ   PHE  89           HZ       PHE  89  -2.820   5.537  -5.558
  686    H    SER  90           HN       SER  90   1.778   4.866 -10.463
  687    HA   SER  90           HA       SER  90   2.881   5.160  -7.691
  688   1HB   SER  90           HB2      SER  90   4.965   5.978  -8.701
  689   2HB   SER  90           HB1      SER  90   4.630   4.324  -9.212
  690    HG   SER  90           HG       SER  90   4.228   5.016 -11.191
  691    H    GLY  91           HN       GLY  91   3.721   7.416  -7.364
  692   1HA   GLY  91           HA2      GLY  91   3.615   9.779  -8.104
  693   2HA   GLY  91           HA1      GLY  91   2.037   9.435  -8.822
  694    H    ALA  92           HN       ALA  92   2.954  11.321  -6.600
  695    HA   ALA  92           HA       ALA  92   1.626  10.289  -4.213
  696   1HB   ALA  92           HB1      ALA  92   2.924  12.869  -5.032
  697   2HB   ALA  92           HB3      ALA  92   1.906  12.843  -3.592
  698   3HB   ALA  92           HB2      ALA  92   3.333  11.803  -3.690
  699    H    ASN  93           HN       ASN  93  -0.383   9.862  -5.734
  700    HA   ASN  93           HA       ASN  93  -2.179  12.272  -5.628
  701   1HB   ASN  93           HB2      ASN  93  -1.725  11.445  -7.961
  702   2HB   ASN  93           HB1      ASN  93  -2.440   9.897  -7.495
  703   1HD2  ASN  93          HD22      ASN  93  -4.849  13.023  -8.358
  704   2HD2  ASN  93          HD21      ASN  93  -3.165  13.118  -8.522
  705    H    LYS  94           HN       LYS  94  -3.110  11.890  -3.645
  706    HA   LYS  94           HA       LYS  94  -3.770   9.286  -2.643
  707   1HB   LYS  94           HB2      LYS  94  -5.148  10.614  -1.005
  708   2HB   LYS  94           HB1      LYS  94  -3.448  11.058  -1.085
  709   1HG   LYS  94           HG2      LYS  94  -5.151  12.568  -2.991
  710   2HG   LYS  94           HG1      LYS  94  -5.598  12.834  -1.315
  711   1HD   LYS  94           HD2      LYS  94  -3.130  13.323  -0.864
  712   2HD   LYS  94           HD1      LYS  94  -2.910  13.332  -2.618
  713   1HE   LYS  94           HE2      LYS  94  -4.620  15.088  -2.828
  714   2HE   LYS  94           HE1      LYS  94  -4.861  15.066  -1.080
  715   1HZ   LYS  94           HZ1      LYS  94  -2.171  15.512  -2.198
  716   2HZ   LYS  94           HZ3      LYS  94  -3.273  16.799  -2.119
  717   3HZ   LYS  94           HZ2      LYS  94  -2.801  15.996  -0.697
  718    H    GLU  95           HN       GLU  95  -5.661  11.657  -4.494
  719    HA   GLU  95           HA       GLU  95  -8.223  10.477  -4.043
  720   1HB   GLU  95           HB2      GLU  95  -7.210  12.051  -6.424
  721   2HB   GLU  95           HB1      GLU  95  -8.901  11.718  -6.075
  722   1HG   GLU  95           HG2      GLU  95  -7.035  13.197  -4.205
  723   2HG   GLU  95           HG1      GLU  95  -8.182  13.978  -5.286
  724    H    LYS  96           HN       LYS  96  -5.624   9.711  -6.210
  725    HA   LYS  96           HA       LYS  96  -6.989   8.084  -8.109
  726   1HB   LYS  96           HB2      LYS  96  -4.609   8.953  -8.177
  727   2HB   LYS  96           HB1      LYS  96  -4.182   7.686  -7.048
  728   1HG   LYS  96           HG2      LYS  96  -4.707   5.968  -8.619
  729   2HG   LYS  96           HG1      LYS  96  -5.519   7.109  -9.701
  730   1HD   LYS  96           HD2      LYS  96  -3.398   8.265 -10.122
  731   2HD   LYS  96           HD1      LYS  96  -2.561   7.197  -8.998
  732   1HE   LYS  96           HE2      LYS  96  -2.156   6.401 -11.250
  733   2HE   LYS  96           HE1      LYS  96  -3.243   5.256 -10.458
  734   1HZ   LYS  96           HZ1      LYS  96  -4.217   7.503 -12.112
  735   2HZ   LYS  96           HZ3      LYS  96  -3.889   5.973 -12.760
  736   3HZ   LYS  96           HZ2      LYS  96  -5.089   6.151 -11.571
  737    H    LEU  97           HN       LEU  97  -5.696   7.446  -4.888
  738    HA   LEU  97           HA       LEU  97  -5.873   4.605  -4.879
  739   1HB   LEU  97           HB2      LEU  97  -6.274   6.667  -2.691
  740   2HB   LEU  97           HB1      LEU  97  -6.306   4.943  -2.368
  741    HG   LEU  97           HG       LEU  97  -3.974   6.254  -3.749
  742   1HD1  LEU  97          HD13      LEU  97  -4.360   7.349  -1.552
  743   2HD1  LEU  97          HD12      LEU  97  -4.304   5.770  -0.778
  744   3HD1  LEU  97          HD11      LEU  97  -2.867   6.413  -1.572
  745   1HD2  LEU  97          HD23      LEU  97  -4.629   3.550  -3.263
  746   2HD2  LEU  97          HD22      LEU  97  -3.051   4.172  -3.705
  747   3HD2  LEU  97          HD21      LEU  97  -3.453   3.942  -2.009
  748    H    GLU  98           HN       GLU  98  -8.191   7.131  -4.217
  749    HA   GLU  98           HA       GLU  98 -10.339   5.494  -3.291
  750   1HB   GLU  98           HB2      GLU  98 -10.223   7.953  -3.033
  751   2HB   GLU  98           HB1      GLU  98 -10.480   8.136  -4.770
  752   1HG   GLU  98           HG2      GLU  98 -12.656   6.940  -4.546
  753   2HG   GLU  98           HG1      GLU  98 -12.404   6.866  -2.803
  754    H    ALA  99           HN       ALA  99  -9.544   6.595  -6.590
  755    HA   ALA  99           HA       ALA  99 -11.901   5.440  -7.762
  756   1HB   ALA  99           HB2      ALA  99 -10.503   7.203  -8.857
  757   2HB   ALA  99           HB1      ALA  99  -9.257   5.985  -9.130
  758   3HB   ALA  99           HB3      ALA  99 -10.834   5.823  -9.903
  759    H    THR 100           HN       THR 100  -8.575   4.179  -7.420
  760    HA   THR 100           HA       THR 100  -9.074   1.811  -8.940
  761    HB   THR 100           HB       THR 100  -7.111   2.093  -6.651
  762    HG1  THR 100           HG1      THR 100  -7.262   3.292  -9.081
  763   1HG2  THR 100          HG22      THR 100  -7.319   0.292  -9.074
  764   2HG2  THR 100          HG21      THR 100  -5.856   0.436  -8.102
  765   3HG2  THR 100          HG23      THR 100  -7.340  -0.188  -7.379
  766    H    ILE 101           HN       ILE 101  -9.453   2.510  -5.485
  767    HA   ILE 101           HA       ILE 101 -10.076  -0.155  -4.624
  768    HB   ILE 101           HB       ILE 101 -10.938   2.563  -3.574
  769   1HG1  ILE 101          HG12      ILE 101  -9.008   0.587  -2.342
  770   2HG1  ILE 101          HG11      ILE 101  -8.470   1.755  -3.544
  771   1HG2  ILE 101          HG21      ILE 101 -11.342  -0.208  -2.400
  772   2HG2  ILE 101          HG23      ILE 101 -11.496   1.278  -1.469
  773   3HG2  ILE 101          HG22      ILE 101 -12.598   0.962  -2.807
  774   1HD1  ILE 101          HD12      ILE 101  -9.354   3.595  -2.133
  775   2HD1  ILE 101          HD11      ILE 101  -9.854   2.414  -0.925
  776   3HD1  ILE 101          HD13      ILE 101  -8.143   2.644  -1.278
  777    H    ASN 102           HN       ASN 102 -12.174   2.544  -5.630
  778    HA   ASN 102           HA       ASN 102 -14.657   1.143  -5.485
  779   1HB   ASN 102           HB2      ASN 102 -14.449   3.619  -5.788
  780   2HB   ASN 102           HB1      ASN 102 -13.875   3.336  -7.436
  781   1HD2  ASN 102          HD22      ASN 102 -17.811   3.451  -6.831
  782   2HD2  ASN 102          HD21      ASN 102 -16.658   4.074  -5.749
  783    H    GLU 103           HN       GLU 103 -12.179   1.379  -7.953
  784    HA   GLU 103           HA       GLU 103 -13.642   0.138 -10.080
  785   1HB   GLU 103           HB2      GLU 103 -11.473   1.460 -10.251
  786   2HB   GLU 103           HB1      GLU 103 -10.650   0.038  -9.623
  787   1HG   GLU 103           HG2      GLU 103 -11.645  -1.312 -11.492
  788   2HG   GLU 103           HG1      GLU 103 -12.280   0.181 -12.177
  789    H    LEU 104           HN       LEU 104 -11.496  -1.126  -7.550
  790    HA   LEU 104           HA       LEU 104 -11.966  -3.905  -8.500
  791   1HB   LEU 104           HB2      LEU 104 -10.106  -2.789  -6.393
  792   2HB   LEU 104           HB1      LEU 104 -10.196  -4.488  -6.844
  793    HG   LEU 104           HG       LEU 104  -9.470  -2.198  -8.701
  794   1HD1  LEU 104          HD12      LEU 104  -7.837  -4.257  -7.217
  795   2HD1  LEU 104          HD11      LEU 104  -7.237  -3.511  -8.699
  796   3HD1  LEU 104          HD13      LEU 104  -7.604  -2.513  -7.294
  797   1HD2  LEU 104          HD23      LEU 104  -9.983  -5.133  -9.121
  798   2HD2  LEU 104          HD22      LEU 104 -10.355  -3.770 -10.174
  799   3HD2  LEU 104          HD21      LEU 104  -8.705  -4.370 -10.069
  800    H    VAL 105           HN       VAL 105 -13.436  -1.808  -6.295
  801    HA   VAL 105           HA       VAL 105 -13.789  -3.576  -4.049
  802    HB   VAL 105           HB       VAL 105 -14.378  -1.062  -4.181
  803   1HG1  VAL 105          HG11      VAL 105 -15.851  -1.515  -6.274
  804   2HG1  VAL 105          HG13      VAL 105 -17.072  -2.034  -5.118
  805   3HG1  VAL 105          HG12      VAL 105 -16.452  -0.385  -5.065
  806   1HG2  VAL 105          HG21      VAL 105 -14.952  -2.559  -2.263
  807   2HG2  VAL 105          HG23      VAL 105 -16.138  -1.274  -2.513
  808   3HG2  VAL 105          HG22      VAL 105 -16.489  -2.915  -3.049
  809    HA   PRO  59           HA       PRO 106  13.730  16.088 -14.574
  810   1HB   PRO  59           HB2      PRO 106  16.364  15.765 -13.163
  811   2HB   PRO  59           HB1      PRO 106  15.865  15.166 -14.760
  812   1HG   PRO  59           HG2      PRO 106  17.416  17.313 -14.542
  813   2HG   PRO  59           HG1      PRO 106  16.142  17.231 -15.771
  814   1HD   PRO  59           HD2      PRO 106  16.209  18.831 -13.247
  815   2HD   PRO  59           HD1      PRO 106  15.378  19.172 -14.779
  816    H    ALA  60           HN       ALA 107  14.598  16.975 -11.281
  817    HA   ALA  60           HA       ALA 107  13.635  14.379 -10.216
  818   1HB   ALA  60           HB1      ALA 107  14.798  16.841  -8.888
  819   2HB   ALA  60           HB3      ALA 107  14.303  15.386  -8.021
  820   3HB   ALA  60           HB2      ALA 107  15.625  15.315  -9.186
  821    H    THR  61           HN       THR 108  11.537  14.140  -9.618
  822    HA   THR  61           HA       THR 108   9.834  16.582  -9.324
  823    HB   THR  61           HB       THR 108   8.939  13.702  -9.628
  824    HG1  THR  61           HG1      THR 108   8.514  14.695 -11.843
  825   1HG2  THR  61          HG21      THR 108   7.301  15.358  -8.718
  826   2HG2  THR  61          HG23      THR 108   7.531  16.332 -10.170
  827   3HG2  THR  61          HG22      THR 108   6.826  14.718 -10.289
  828    H    LEU  62           HN       LEU 109   9.066  17.116  -7.358
  829    HA   LEU  62           HA       LEU 109   9.916  15.742  -4.988
  830   1HB   LEU  62           HB2      LEU 109   7.830  17.886  -5.454
  831   2HB   LEU  62           HB1      LEU 109   8.283  17.314  -3.851
  832    HG   LEU  62           HG       LEU 109  10.254  18.446  -5.863
  833   1HD1  LEU  62          HD11      LEU 109   8.514  20.094  -5.076
  834   2HD1  LEU  62          HD13      LEU 109   9.084  19.822  -3.430
  835   3HD1  LEU  62          HD12      LEU 109  10.164  20.522  -4.637
  836   1HD2  LEU  62          HD23      LEU 109  10.447  17.442  -3.031
  837   2HD2  LEU  62          HD22      LEU 109  11.572  17.231  -4.371
  838   3HD2  LEU  62          HD21      LEU 109  11.492  18.770  -3.524
  839    H    LYS  63           HN       LYS 110   7.067  15.519  -6.983
  840    HA   LYS  63           HA       LYS 110   5.305  14.265  -5.127
  841   1HB   LYS  63           HB2      LYS 110   5.500  13.868  -8.130
  842   2HB   LYS  63           HB1      LYS 110   4.119  13.426  -7.129
  843   1HG   LYS  63           HG2      LYS 110   5.194  16.233  -7.570
  844   2HG   LYS  63           HG1      LYS 110   3.696  15.571  -8.229
  845   1HD   LYS  63           HD2      LYS 110   3.057  15.135  -5.739
  846   2HD   LYS  63           HD1      LYS 110   4.345  16.283  -5.369
  847   1HE   LYS  63           HE2      LYS 110   2.305  17.540  -5.518
  848   2HE   LYS  63           HE1      LYS 110   3.253  17.900  -6.960
  849   1HZ   LYS  63           HZ3      LYS 110   1.833  15.731  -7.705
  850   2HZ   LYS  63           HZ2      LYS 110   0.726  16.559  -6.723
  851   3HZ   LYS  63           HZ1      LYS 110   1.420  17.335  -8.061
  852    H    ILE  64           HN       ILE 111   8.152  13.120  -6.645
  853    HA   ILE  64           HA       ILE 111   7.581  10.331  -5.665
  854    HB   ILE  64           HB       ILE 111   9.031  11.222  -8.181
  855   1HG1  ILE  64          HG12      ILE 111   6.607  11.162  -8.429
  856   2HG1  ILE  64          HG11      ILE 111   7.322   9.824  -9.318
  857   1HG2  ILE  64          HG21      ILE 111   8.907   8.522  -6.830
  858   2HG2  ILE  64          HG23      ILE 111   9.254   8.692  -8.548
  859   3HG2  ILE  64          HG22      ILE 111  10.331   9.416  -7.354
  860   1HD1  ILE  64          HD13      ILE 111   6.890   8.558  -6.975
  861   2HD1  ILE  64          HD12      ILE 111   5.629   9.787  -6.859
  862   3HD1  ILE  64          HD11      ILE 111   5.652   8.670  -8.223
  863    H    CYS  65           HN       CYS 112   9.289   9.368  -4.497
  864    HA   CYS  65           HA       CYS 112  11.658  11.100  -3.968
  865   1HB   CYS  65           HB2      CYS 112  11.084   8.470  -2.582
  866   2HB   CYS  65           HB1      CYS 112  12.095   9.798  -2.037
  867    H    SER  66           HN       SER 113  13.615  10.557  -4.911
  868    HA   SER  66           HA       SER 113  13.683   8.321  -6.793
  869   1HB   SER  66           HB2      SER 113  15.845  10.244  -5.885
  870   2HB   SER  66           HB1      SER 113  16.010   9.094  -7.213
  871    HG   SER  66           HG       SER 113  14.404  11.391  -6.993
  872    H    TRP  67           HN       TRP 114  14.796   6.354  -6.569
  873    HA   TRP  67           HA       TRP 114  15.489   5.519  -3.858
  874   1HB   TRP  67           HB2      TRP 114  15.740   4.088  -6.527
  875   2HB   TRP  67           HB1      TRP 114  16.189   3.367  -4.980
  876    HD1  TRP  67           HD1      TRP 114  13.125   5.406  -6.155
  877    HE1  TRP  67           HE1      TRP 114  11.004   4.214  -5.320
  878    HE3  TRP  67           HE3      TRP 114  15.211   1.356  -3.865
  879    HZ2  TRP  67           HZ2      TRP 114  10.304   1.872  -3.853
  880    HZ3  TRP  67           HZ3      TRP 114  13.798  -0.339  -2.763
  881    HH2  TRP  67           HH2      TRP 114  11.335  -0.093  -2.768
  882    H    ASN  68           HN       ASN 115  17.117   7.203  -6.262
  883    HA   ASN  68           HA       ASN 115  19.728   6.144  -6.211
  884   1HB   ASN  68           HB2      ASN 115  18.787   9.027  -6.312
  885   2HB   ASN  68           HB1      ASN 115  20.461   8.538  -6.571
  886   1HD2  ASN  68          HD22      ASN 115  18.366   6.512  -9.331
  887   2HD2  ASN  68          HD21      ASN 115  18.379   6.092  -7.684
  888    H    VAL  69           HN       VAL 116  17.870   7.378  -3.640
  889    HA   VAL  69           HA       VAL 116  19.888   8.571  -2.009
  890    HB   VAL  69           HB       VAL 116  18.352   7.933  -0.104
  891   1HG1  VAL  69          HG11      VAL 116  18.090  10.023  -1.477
  892   2HG1  VAL  69          HG13      VAL 116  16.956   9.144  -2.505
  893   3HG1  VAL  69          HG12      VAL 116  16.573   9.425  -0.806
  894   1HG2  VAL  69          HG21      VAL 116  17.552   5.820  -1.270
  895   2HG2  VAL  69          HG23      VAL 116  16.270   6.830  -0.601
  896   3HG2  VAL  69          HG22      VAL 116  16.603   6.860  -2.333
  897    H    ASP  70           HN       ASP 117  21.302   7.684  -0.496
  898    HA   ASP  70           HA       ASP 117  22.355   5.088  -1.019
  899   1HB   ASP  70           HB2      ASP 117  22.601   6.915   1.390
  900   2HB   ASP  70           HB1      ASP 117  23.535   5.429   1.194
  901    H    GLY  71           HN       GLY 118  20.037   6.270   1.388
  902   1HA   GLY  71           HA2      GLY 118  19.856   3.859   2.909
  903   2HA   GLY  71           HA1      GLY 118  18.602   5.097   2.826
   
  No H/Q in entry =         903
  Start of MODEL    7
    1   1H    MET   1           HT1      MET   1  -8.780  -1.532   7.437
    2   2H    MET   1           HT3      MET   1  -8.384  -3.164   7.678
    3   3H    MET   1           HT2      MET   1  -9.674  -2.472   8.538
    4    HA   MET   1           HA       MET   1  -8.153  -1.018   9.717
    5   1HB   MET   1           HB2      MET   1  -7.421  -3.962   9.748
    6   2HB   MET   1           HB1      MET   1  -6.932  -2.805  10.987
    7   1HG   MET   1           HG2      MET   1  -9.808  -3.406  10.232
    8   2HG   MET   1           HG1      MET   1  -8.977  -4.094  11.624
    9   1HE   MET   1           HE2      MET   1  -7.862  -2.947  13.300
   10   2HE   MET   1           HE1      MET   1  -7.284  -1.335  12.891
   11   3HE   MET   1           HE3      MET   1  -8.521  -1.544  14.138
   12    H    VAL   2           HN       VAL   2  -5.827  -0.713  10.308
   13    HA   VAL   2           HA       VAL   2  -4.135  -0.709   7.842
   14    HB   VAL   2           HB       VAL   2  -3.927   0.792  10.469
   15   1HG1  VAL   2          HG12      VAL   2  -2.113   0.693   8.049
   16   2HG1  VAL   2          HG11      VAL   2  -2.100   2.038   9.188
   17   3HG1  VAL   2          HG13      VAL   2  -1.679   0.415   9.736
   18   1HG2  VAL   2          HG23      VAL   2  -5.694   1.467   8.788
   19   2HG2  VAL   2          HG22      VAL   2  -4.501   2.718   9.127
   20   3HG2  VAL   2          HG21      VAL   2  -4.392   1.779   7.640
   21    H    LYS   3           HN       LYS   3  -2.333  -2.035   7.738
   22    HA   LYS   3           HA       LYS   3  -1.319  -3.291  10.262
   23   1HB   LYS   3           HB2      LYS   3  -2.766  -4.894   8.987
   24   2HB   LYS   3           HB1      LYS   3  -1.709  -4.690   7.598
   25   1HG   LYS   3           HG2      LYS   3  -0.993  -6.694   8.701
   26   2HG   LYS   3           HG1      LYS   3   0.216  -5.468   9.065
   27   1HD   LYS   3           HD2      LYS   3  -0.540  -5.193  11.277
   28   2HD   LYS   3           HD1      LYS   3  -2.103  -5.936  10.936
   29   1HE   LYS   3           HE2      LYS   3  -1.001  -8.114  10.623
   30   2HE   LYS   3           HE1      LYS   3   0.567  -7.373  10.936
   31   1HZ   LYS   3           HZ1      LYS   3  -1.420  -6.831  12.950
   32   2HZ   LYS   3           HZ3      LYS   3  -1.015  -8.472  12.816
   33   3HZ   LYS   3           HZ2      LYS   3   0.197  -7.321  13.122
   34    H    GLN   4           HN       GLN   4   0.886  -3.195  10.419
   35    HA   GLN   4           HA       GLN   4   2.378  -2.032   8.116
   36   1HB   GLN   4           HB2      GLN   4   2.581  -0.947  10.341
   37   2HB   GLN   4           HB1      GLN   4   3.217  -2.453  11.003
   38   1HG   GLN   4           HG2      GLN   4   5.114  -2.356   9.422
   39   2HG   GLN   4           HG1      GLN   4   4.475  -0.853   8.752
   40   1HE2  GLN   4          HE22      GLN   4   6.637   0.709  11.109
   41   2HE2  GLN   4          HE21      GLN   4   6.402   0.338   9.469
   42    H    ILE   5           HN       ILE   5   3.583  -3.375   6.877
   43    HA   ILE   5           HA       ILE   5   4.240  -6.112   7.890
   44    HB   ILE   5           HB       ILE   5   4.522  -5.001   5.094
   45   1HG1  ILE   5          HG12      ILE   5   2.193  -4.813   5.719
   46   2HG1  ILE   5          HG11      ILE   5   2.366  -6.200   4.647
   47   1HG2  ILE   5          HG22      ILE   5   5.615  -7.286   6.119
   48   2HG2  ILE   5          HG21      ILE   5   4.050  -7.901   5.599
   49   3HG2  ILE   5          HG23      ILE   5   5.118  -7.112   4.444
   50   1HD1  ILE   5          HD11      ILE   5   2.642  -7.576   6.853
   51   2HD1  ILE   5          HD13      ILE   5   1.915  -6.169   7.625
   52   3HD1  ILE   5          HD12      ILE   5   1.029  -7.049   6.385
   53    H    GLU   6           HN       GLU   6   6.274  -6.235   8.773
   54    HA   GLU   6           HA       GLU   6   8.384  -4.371   7.775
   55   1HB   GLU   6           HB2      GLU   6   8.374  -6.213  10.192
   56   2HB   GLU   6           HB1      GLU   6   9.638  -5.052   9.774
   57   1HG   GLU   6           HG2      GLU   6   6.763  -4.226  10.212
   58   2HG   GLU   6           HG1      GLU   6   7.950  -4.263  11.515
   59    H    SER   7           HN       SER   7   7.234  -7.414   7.086
   60    HA   SER   7           HA       SER   7   9.821  -8.151   5.850
   61   1HB   SER   7           HB2      SER   7   9.778 -10.435   6.793
   62   2HB   SER   7           HB1      SER   7   9.948  -9.219   8.061
   63    HG   SER   7           HG       SER   7   8.357 -10.659   8.669
   64    H    LYS   8           HN       LYS   8   9.618  -9.733   4.190
   65    HA   LYS   8           HA       LYS   8   7.154  -9.667   2.708
   66   1HB   LYS   8           HB2      LYS   8   9.495 -10.092   1.772
   67   2HB   LYS   8           HB1      LYS   8   9.352 -11.719   2.442
   68   1HG   LYS   8           HG2      LYS   8   7.323 -12.110   1.117
   69   2HG   LYS   8           HG1      LYS   8   7.426 -10.476   0.467
   70   1HD   LYS   8           HD2      LYS   8   8.340 -12.150  -1.116
   71   2HD   LYS   8           HD1      LYS   8   9.569 -11.001  -0.597
   72   1HE   LYS   8           HE2      LYS   8  10.145 -13.553  -0.616
   73   2HE   LYS   8           HE1      LYS   8  10.657 -12.579   0.757
   74   1HZ   LYS   8           HZ2      LYS   8   8.516 -13.247   1.841
   75   2HZ   LYS   8           HZ1      LYS   8   8.292 -14.360   0.577
   76   3HZ   LYS   8           HZ3      LYS   8   9.625 -14.514   1.613
   77    H    THR   9           HN       THR   9   8.536 -11.867   5.072
   78    HA   THR   9           HA       THR   9   6.858 -14.106   4.624
   79    HB   THR   9           HB       THR   9   7.846 -13.086   7.302
   80    HG1  THR   9           HG1      THR   9   9.725 -13.912   6.791
   81   1HG2  THR   9          HG23      THR   9   6.977 -15.817   6.322
   82   2HG2  THR   9          HG22      THR   9   7.771 -15.527   7.870
   83   3HG2  THR   9          HG21      THR   9   6.183 -14.832   7.549
   84    H    ALA  10           HN       ALA  10   6.381 -11.270   6.713
   85    HA   ALA  10           HA       ALA  10   3.730 -12.046   7.548
   86   1HB   ALA  10           HB2      ALA  10   5.178  -9.381   7.513
   87   2HB   ALA  10           HB1      ALA  10   3.545  -9.572   8.151
   88   3HB   ALA  10           HB3      ALA  10   4.891 -10.430   8.901
   89    H    PHE  11           HN       PHE  11   5.030 -10.293   4.786
   90    HA   PHE  11           HA       PHE  11   2.648  -9.036   3.880
   91   1HB   PHE  11           HB2      PHE  11   4.988  -8.771   2.913
   92   2HB   PHE  11           HB1      PHE  11   4.773 -10.317   2.126
   93    HD1  PHE  11           HD1      PHE  11   2.938  -7.067   2.550
   94    HD2  PHE  11           HD2      PHE  11   3.947 -10.331  -0.055
   95    HE1  PHE  11           HE1      PHE  11   1.724  -5.964   0.693
   96    HE2  PHE  11           HE2      PHE  11   2.733  -9.225  -1.909
   97    HZ   PHE  11           HZ       PHE  11   1.619  -7.049  -1.536
   98    H    GLN  12           HN       GLN  12   3.964 -12.269   3.257
   99    HA   GLN  12           HA       GLN  12   1.861 -13.153   1.507
  100   1HB   GLN  12           HB2      GLN  12   3.647 -14.736   3.396
  101   2HB   GLN  12           HB1      GLN  12   2.716 -15.411   2.060
  102   1HG   GLN  12           HG2      GLN  12   4.871 -13.297   1.759
  103   2HG   GLN  12           HG1      GLN  12   5.104 -15.019   1.451
  104   1HE2  GLN  12          HE22      GLN  12   3.541 -12.746  -1.449
  105   2HE2  GLN  12          HE21      GLN  12   4.294 -12.114  -0.064
  106    H    GLU  13           HN       GLU  13   2.371 -13.360   5.022
  107    HA   GLU  13           HA       GLU  13   0.013 -14.879   5.627
  108   1HB   GLU  13           HB2      GLU  13   1.585 -12.898   7.310
  109   2HB   GLU  13           HB1      GLU  13   0.341 -13.958   7.946
  110   1HG   GLU  13           HG2      GLU  13   2.846 -14.902   6.527
  111   2HG   GLU  13           HG1      GLU  13   2.623 -14.888   8.276
  112    H    ALA  14           HN       ALA  14   0.578 -11.398   5.318
  113    HA   ALA  14           HA       ALA  14  -2.009 -10.634   6.313
  114   1HB   ALA  14           HB1      ALA  14  -0.043  -9.096   6.102
  115   2HB   ALA  14           HB3      ALA  14  -0.255  -9.132   4.351
  116   3HB   ALA  14           HB2      ALA  14  -1.517  -8.451   5.379
  117    H    LEU  15           HN       LEU  15  -0.750 -11.264   3.040
  118    HA   LEU  15           HA       LEU  15  -3.094 -10.522   1.617
  119   1HB   LEU  15           HB2      LEU  15  -0.982 -12.614   1.046
  120   2HB   LEU  15           HB1      LEU  15  -2.240 -12.168  -0.107
  121    HG   LEU  15           HG       LEU  15  -0.292 -10.205   1.129
  122   1HD1  LEU  15          HD11      LEU  15  -0.203 -11.759  -1.457
  123   2HD1  LEU  15          HD13      LEU  15   0.657 -10.232  -1.266
  124   3HD1  LEU  15          HD12      LEU  15   1.050 -11.600  -0.227
  125   1HD2  LEU  15          HD22      LEU  15  -2.538  -9.992  -0.861
  126   2HD2  LEU  15          HD21      LEU  15  -2.043  -8.865   0.398
  127   3HD2  LEU  15          HD23      LEU  15  -1.120  -8.968  -1.097
  128    H    ASP  16           HN       ASP  16  -2.111 -13.554   3.138
  129    HA   ASP  16           HA       ASP  16  -4.397 -15.055   2.278
  130   1HB   ASP  16           HB2      ASP  16  -2.241 -16.036   3.143
  131   2HB   ASP  16           HB1      ASP  16  -2.751 -15.551   4.765
  132    H    ALA  17           HN       ALA  17  -3.715 -13.092   5.134
  133    HA   ALA  17           HA       ALA  17  -6.049 -13.872   6.605
  134   1HB   ALA  17           HB3      ALA  17  -4.049 -12.756   7.598
  135   2HB   ALA  17           HB2      ALA  17  -4.510 -11.266   6.772
  136   3HB   ALA  17           HB1      ALA  17  -5.558 -11.945   8.017
  137    H    ALA  18           HN       ALA  18  -5.461 -11.290   4.249
  138    HA   ALA  18           HA       ALA  18  -7.930  -9.894   4.650
  139   1HB   ALA  18           HB3      ALA  18  -6.136 -10.189   2.235
  140   2HB   ALA  18           HB2      ALA  18  -7.544  -9.125   2.259
  141   3HB   ALA  18           HB1      ALA  18  -6.198  -8.835   3.364
  142    H    GLY  19           HN       GLY  19  -7.078 -12.755   2.780
  143   1HA   GLY  19           HA2      GLY  19  -8.459 -14.385   1.811
  144   2HA   GLY  19           HA1      GLY  19  -9.808 -13.659   2.686
  145    H    ASP  20           HN       ASP  20 -11.379 -13.050   1.293
  146    HA   ASP  20           HA       ASP  20 -10.702 -12.379  -1.501
  147   1HB   ASP  20           HB2      ASP  20 -13.382 -12.587  -0.099
  148   2HB   ASP  20           HB1      ASP  20 -13.143 -12.390  -1.837
  149    H    LYS  21           HN       LYS  21 -10.781 -10.619   1.308
  150    HA   LYS  21           HA       LYS  21 -12.296  -8.302   0.414
  151   1HB   LYS  21           HB2      LYS  21 -10.200  -8.667   2.576
  152   2HB   LYS  21           HB1      LYS  21 -11.054  -7.151   2.298
  153   1HG   LYS  21           HG2      LYS  21 -13.219  -8.569   2.522
  154   2HG   LYS  21           HG1      LYS  21 -12.173  -9.790   3.245
  155   1HD   LYS  21           HD2      LYS  21 -11.336  -7.924   4.798
  156   2HD   LYS  21           HD1      LYS  21 -12.713  -6.981   4.221
  157   1HE   LYS  21           HE2      LYS  21 -14.202  -8.898   4.894
  158   2HE   LYS  21           HE1      LYS  21 -12.797  -9.654   5.639
  159   1HZ   LYS  21           HZ3      LYS  21 -13.411  -6.876   6.325
  160   2HZ   LYS  21           HZ2      LYS  21 -14.367  -8.104   7.008
  161   3HZ   LYS  21           HZ1      LYS  21 -12.687  -8.088   7.267
  162    H    LEU  22           HN       LEU  22 -11.445  -6.332  -0.464
  163    HA   LEU  22           HA       LEU  22  -9.262  -6.587  -2.259
  164   1HB   LEU  22           HB2      LEU  22 -11.243  -4.718  -1.797
  165   2HB   LEU  22           HB1      LEU  22  -9.830  -3.859  -1.209
  166    HG   LEU  22           HG       LEU  22 -10.224  -5.016  -3.975
  167   1HD1  LEU  22          HD13      LEU  22 -10.643  -2.360  -2.764
  168   2HD1  LEU  22          HD12      LEU  22  -9.574  -2.295  -4.155
  169   3HD1  LEU  22          HD11      LEU  22 -11.184  -2.988  -4.315
  170   1HD2  LEU  22          HD22      LEU  22  -7.796  -3.848  -2.613
  171   2HD2  LEU  22          HD21      LEU  22  -7.908  -5.313  -3.592
  172   3HD2  LEU  22          HD23      LEU  22  -7.991  -3.731  -4.356
  173    H    VAL  23           HN       VAL  23  -7.100  -5.460  -2.032
  174    HA   VAL  23           HA       VAL  23  -6.270  -4.868   0.742
  175    HB   VAL  23           HB       VAL  23  -4.897  -6.933  -1.005
  176   1HG1  VAL  23          HG13      VAL  23  -4.209  -5.665   1.652
  177   2HG1  VAL  23          HG12      VAL  23  -3.497  -7.187   1.121
  178   3HG1  VAL  23          HG11      VAL  23  -3.222  -5.714   0.192
  179   1HG2  VAL  23          HG22      VAL  23  -6.474  -7.144   1.572
  180   2HG2  VAL  23          HG21      VAL  23  -6.837  -7.923   0.032
  181   3HG2  VAL  23          HG23      VAL  23  -5.427  -8.424   0.961
  182    H    VAL  24           HN       VAL  24  -5.191  -2.985   0.601
  183    HA   VAL  24           HA       VAL  24  -3.780  -2.329  -1.959
  184    HB   VAL  24           HB       VAL  24  -4.674  -0.424   0.230
  185   1HG1  VAL  24          HG11      VAL  24  -2.790   0.271  -1.304
  186   2HG1  VAL  24          HG13      VAL  24  -3.905   0.094  -2.658
  187   3HG1  VAL  24          HG12      VAL  24  -4.217   1.299  -1.407
  188   1HG2  VAL  24          HG21      VAL  24  -6.024  -1.325  -2.323
  189   2HG2  VAL  24          HG23      VAL  24  -6.673  -1.362  -0.686
  190   3HG2  VAL  24          HG22      VAL  24  -6.446   0.180  -1.510
  191    H    VAL  25           HN       VAL  25  -1.574  -1.828  -1.840
  192    HA   VAL  25           HA       VAL  25  -0.308  -1.961   0.888
  193    HB   VAL  25           HB       VAL  25   0.880  -2.955  -1.716
  194   1HG1  VAL  25          HG11      VAL  25   2.441  -2.229   0.126
  195   2HG1  VAL  25          HG13      VAL  25   1.707  -3.467   1.144
  196   3HG1  VAL  25          HG12      VAL  25   2.581  -3.930  -0.313
  197   1HG2  VAL  25          HG23      VAL  25  -1.153  -4.258  -0.900
  198   2HG2  VAL  25          HG22      VAL  25   0.336  -5.185  -1.019
  199   3HG2  VAL  25          HG21      VAL  25  -0.228  -4.626   0.556
  200    H    ASP  26           HN       ASP  26   0.676  -0.086   1.383
  201    HA   ASP  26           HA       ASP  26   1.448   1.785  -0.820
  202   1HB   ASP  26           HB2      ASP  26   0.031   2.641   1.043
  203   2HB   ASP  26           HB1      ASP  26   1.320   2.253   2.183
  204    H    PHE  27           HN       PHE  27   3.540   1.679  -1.464
  205    HA   PHE  27           HA       PHE  27   5.626   0.594   0.359
  206   1HB   PHE  27           HB2      PHE  27   5.538   1.176  -2.607
  207   2HB   PHE  27           HB1      PHE  27   7.052   0.803  -1.774
  208    HD1  PHE  27           HD1      PHE  27   7.297  -1.365  -0.552
  209    HD2  PHE  27           HD2      PHE  27   3.959  -0.543  -3.126
  210    HE1  PHE  27           HE1      PHE  27   6.799  -3.792  -0.678
  211    HE2  PHE  27           HE2      PHE  27   3.460  -2.967  -3.241
  212    HZ   PHE  27           HZ       PHE  27   4.878  -4.592  -2.024
  213    H    SER  28           HN       SER  28   4.413   3.342   0.617
  214    HA   SER  28           HA       SER  28   6.222   5.309  -0.310
  215   1HB   SER  28           HB2      SER  28   4.617   5.310   2.257
  216   2HB   SER  28           HB1      SER  28   5.349   6.723   1.507
  217    HG   SER  28           HG       SER  28   2.995   5.971   1.052
  218    H    ALA  29           HN       ALA  29   8.020   6.274   0.590
  219    HA   ALA  29           HA       ALA  29   9.621   4.572   2.363
  220   1HB   ALA  29           HB3      ALA  29  10.081   7.122   0.813
  221   2HB   ALA  29           HB2      ALA  29  11.237   6.631   2.051
  222   3HB   ALA  29           HB1      ALA  29  10.927   5.584   0.664
  223    H    THR  30           HN       THR  30   9.657   4.851   4.564
  224    HA   THR  30           HA       THR  30   7.997   6.863   5.783
  225    HB   THR  30           HB       THR  30   8.455   4.741   6.932
  226    HG1  THR  30           HG1      THR  30   9.148   5.688   8.949
  227   1HG2  THR  30          HG21      THR  30  10.776   4.464   6.073
  228   2HG2  THR  30          HG23      THR  30  11.308   5.747   7.161
  229   3HG2  THR  30          HG22      THR  30  10.671   4.240   7.819
  230    H    TRP  31           HN       TRP  31  11.408   6.644   4.978
  231    HA   TRP  31           HA       TRP  31  12.193   8.967   6.542
  232   1HB   TRP  31           HB2      TRP  31  14.287   8.839   5.299
  233   2HB   TRP  31           HB1      TRP  31  13.807   7.241   5.865
  234    HD1  TRP  31           HD1      TRP  31  13.347   5.424   4.109
  235    HE1  TRP  31           HE1      TRP  31  13.532   5.312   1.541
  236    HE3  TRP  31           HE3      TRP  31  13.850  10.384   3.062
  237    HZ2  TRP  31           HZ2      TRP  31  13.815   7.101  -0.667
  238    HZ3  TRP  31           HZ3      TRP  31  14.050  11.158   0.722
  239    HH2  TRP  31           HH2      TRP  31  14.036   9.525  -1.143
  240    H    CYS  32           HN       CYS  32  10.760   8.552   3.391
  241    HA   CYS  32           HA       CYS  32  11.607  11.214   2.479
  242   1HB   CYS  32           HB2      CYS  32  11.168   9.176   0.972
  243   2HB   CYS  32           HB1      CYS  32   9.457   9.466   1.257
  244    H    GLY  33           HN       GLY  33  10.719  12.893   3.496
  245   1HA   GLY  33           HA2      GLY  33   8.362  12.840   5.045
  246   2HA   GLY  33           HA1      GLY  33   9.110  14.309   4.421
  247    HA   PRO  34           HA       PRO  34   6.131  14.946   1.226
  248   1HB   PRO  34           HB2      PRO  34   7.573  13.454  -0.924
  249   2HB   PRO  34           HB1      PRO  34   7.022  15.137  -0.894
  250   1HG   PRO  34           HG2      PRO  34   9.645  14.442  -0.641
  251   2HG   PRO  34           HG1      PRO  34   8.963  15.901   0.099
  252   1HD   PRO  34           HD2      PRO  34   9.825  13.367   1.395
  253   2HD   PRO  34           HD1      PRO  34   9.663  14.992   2.109
  254    H    ALA  35           HN       ALA  35   7.434  11.637   1.146
  255    HA   ALA  35           HA       ALA  35   4.976  10.500   0.072
  256   1HB   ALA  35           HB2      ALA  35   7.409   9.583  -0.092
  257   2HB   ALA  35           HB1      ALA  35   7.095   8.908   1.503
  258   3HB   ALA  35           HB3      ALA  35   6.091   8.438   0.133
  259    H    LYS  36           HN       LYS  36   6.553  10.397   3.289
  260    HA   LYS  36           HA       LYS  36   4.463   8.977   4.610
  261   1HB   LYS  36           HB2      LYS  36   6.764   9.446   5.545
  262   2HB   LYS  36           HB1      LYS  36   6.233  11.095   5.859
  263   1HG   LYS  36           HG2      LYS  36   4.300  10.116   7.180
  264   2HG   LYS  36           HG1      LYS  36   5.098   8.551   7.036
  265   1HD   LYS  36           HD2      LYS  36   7.116   9.483   8.121
  266   2HD   LYS  36           HD1      LYS  36   6.308  11.040   8.278
  267   1HE   LYS  36           HE2      LYS  36   6.122   9.826  10.384
  268   2HE   LYS  36           HE1      LYS  36   4.529   9.948   9.638
  269   1HZ   LYS  36           HZ2      LYS  36   5.031   7.707   8.630
  270   2HZ   LYS  36           HZ1      LYS  36   6.331   7.605   9.717
  271   3HZ   LYS  36           HZ3      LYS  36   4.745   7.730  10.304
  272    H    MET  37           HN       MET  37   4.890  12.394   3.902
  273    HA   MET  37           HA       MET  37   2.837  13.473   5.534
  274   1HB   MET  37           HB2      MET  37   4.560  14.757   4.192
  275   2HB   MET  37           HB1      MET  37   3.588  14.434   2.764
  276   1HG   MET  37           HG2      MET  37   1.630  15.496   3.975
  277   2HG   MET  37           HG1      MET  37   2.766  16.001   5.219
  278   1HE   MET  37           HE2      MET  37   1.711  18.289   4.725
  279   2HE   MET  37           HE1      MET  37   2.035  19.288   3.309
  280   3HE   MET  37           HE3      MET  37   0.879  17.951   3.208
  281    H    ILE  38           HN       ILE  38   2.694  11.696   2.537
  282    HA   ILE  38           HA       ILE  38  -0.107  12.391   2.014
  283    HB   ILE  38           HB       ILE  38   1.688  10.311   0.711
  284   1HG1  ILE  38          HG12      ILE  38   0.887  13.029  -0.353
  285   2HG1  ILE  38          HG11      ILE  38   2.360  12.782   0.580
  286   1HG2  ILE  38          HG22      ILE  38  -1.109  11.301   0.160
  287   2HG2  ILE  38          HG21      ILE  38  -0.091  10.771  -1.182
  288   3HG2  ILE  38          HG23      ILE  38  -0.482   9.654   0.123
  289   1HD1  ILE  38          HD13      ILE  38   2.996  10.977  -1.082
  290   2HD1  ILE  38          HD12      ILE  38   1.627  11.498  -2.062
  291   3HD1  ILE  38          HD11      ILE  38   2.962  12.612  -1.741
  292    H    LYS  39           HN       LYS  39   1.356  10.248   4.194
  293    HA   LYS  39           HA       LYS  39  -0.316   7.979   3.723
  294   1HB   LYS  39           HB2      LYS  39   0.425   6.994   5.688
  295   2HB   LYS  39           HB1      LYS  39   1.797   7.953   5.156
  296   1HG   LYS  39           HG2      LYS  39   1.216   9.714   6.788
  297   2HG   LYS  39           HG1      LYS  39  -0.190   8.804   7.307
  298   1HD   LYS  39           HD2      LYS  39   2.728   8.105   7.682
  299   2HD   LYS  39           HD1      LYS  39   1.508   8.398   8.920
  300   1HE   LYS  39           HE2      LYS  39   0.288   6.339   7.908
  301   2HE   LYS  39           HE1      LYS  39   1.842   5.984   7.150
  302   1HZ   LYS  39           HZ2      LYS  39   1.897   6.633   9.981
  303   2HZ   LYS  39           HZ1      LYS  39   1.211   5.135   9.568
  304   3HZ   LYS  39           HZ3      LYS  39   2.806   5.495   9.110
  305    HA   PRO  40           HA       PRO  40  -3.176   9.911   7.193
  306   1HB   PRO  40           HB2      PRO  40  -3.684  12.471   5.748
  307   2HB   PRO  40           HB1      PRO  40  -3.529  12.174   7.494
  308   1HG   PRO  40           HG2      PRO  40  -1.585  13.421   6.131
  309   2HG   PRO  40           HG1      PRO  40  -1.204  12.291   7.438
  310   1HD   PRO  40           HD2      PRO  40  -1.044  11.873   4.481
  311   2HD   PRO  40           HD1      PRO  40   0.051  11.268   5.746
  312    H    PHE  41           HN       PHE  41  -3.442  10.744   3.709
  313    HA   PHE  41           HA       PHE  41  -6.290  10.234   3.626
  314   1HB   PHE  41           HB2      PHE  41  -4.149  10.140   1.479
  315   2HB   PHE  41           HB1      PHE  41  -5.864   9.943   1.163
  316    HD1  PHE  41           HD2      PHE  41  -3.420  12.278   2.730
  317    HD2  PHE  41           HD1      PHE  41  -7.235  11.809   0.823
  318    HE1  PHE  41           HE2      PHE  41  -3.693  14.744   2.674
  319    HE2  PHE  41           HE1      PHE  41  -7.514  14.274   0.765
  320    HZ   PHE  41           HZ       PHE  41  -5.741  15.741   1.691
  321    H    PHE  42           HN       PHE  42  -3.415   8.295   2.847
  322    HA   PHE  42           HA       PHE  42  -4.733   5.882   2.082
  323   1HB   PHE  42           HB2      PHE  42  -2.337   6.357   1.700
  324   2HB   PHE  42           HB1      PHE  42  -2.045   6.325   3.441
  325    HD1  PHE  42           HD1      PHE  42  -3.181   4.260   0.559
  326    HD2  PHE  42           HD2      PHE  42  -1.699   4.271   4.588
  327    HE1  PHE  42           HE1      PHE  42  -2.886   1.805   0.457
  328    HE2  PHE  42           HE2      PHE  42  -1.399   1.810   4.484
  329    HZ   PHE  42           HZ       PHE  42  -1.996   0.577   2.418
  330    H    HIS  43           HN       HIS  43  -3.353   6.850   5.205
  331    HA   HIS  43           HA       HIS  43  -4.307   4.574   6.661
  332   1HB   HIS  43           HB2      HIS  43  -2.420   5.961   7.405
  333   2HB   HIS  43           HB1      HIS  43  -3.493   7.346   7.592
  334    HD1  HIS  43           HD1      HIS  43  -2.521   4.118   9.211
  335    HD2  HIS  43           HD2      HIS  43  -5.236   7.209   9.820
  336    HE1  HIS  43           HE1      HIS  43  -3.533   3.737  11.504
  337    H    SER  44           HN       SER  44  -5.562   7.895   6.323
  338    HA   SER  44           HA       SER  44  -7.779   7.618   8.061
  339   1HB   SER  44           HB2      SER  44  -7.537   9.355   5.593
  340   2HB   SER  44           HB1      SER  44  -8.769   9.523   6.833
  341    HG   SER  44           HG       SER  44  -7.039  10.916   7.253
  342    H    LEU  45           HN       LEU  45  -7.449   6.846   4.613
  343    HA   LEU  45           HA       LEU  45 -10.208   6.322   4.110
  344   1HB   LEU  45           HB2      LEU  45  -7.679   5.310   2.826
  345   2HB   LEU  45           HB1      LEU  45  -9.262   4.843   2.232
  346    HG   LEU  45           HG       LEU  45  -8.588   7.767   2.632
  347   1HD1  LEU  45          HD13      LEU  45  -6.813   6.773   1.192
  348   2HD1  LEU  45          HD12      LEU  45  -8.063   6.148   0.118
  349   3HD1  LEU  45          HD11      LEU  45  -7.846   7.889   0.301
  350   1HD2  LEU  45          HD21      LEU  45 -10.525   6.213   0.888
  351   2HD2  LEU  45          HD23      LEU  45 -10.910   7.335   2.193
  352   3HD2  LEU  45          HD22      LEU  45 -10.217   7.937   0.693
  353    H    SER  46           HN       SER  46  -7.791   4.403   5.746
  354    HA   SER  46           HA       SER  46  -8.826   1.809   5.399
  355   1HB   SER  46           HB2      SER  46  -7.742   2.987   7.975
  356   2HB   SER  46           HB1      SER  46  -7.865   1.278   7.595
  357    HG   SER  46           HG       SER  46  -6.311   1.486   6.081
  358    H    GLU  47           HN       GLU  47  -9.971   4.425   7.483
  359    HA   GLU  47           HA       GLU  47 -12.077   2.702   8.632
  360   1HB   GLU  47           HB2      GLU  47 -11.440   5.665   8.901
  361   2HB   GLU  47           HB1      GLU  47 -12.804   4.882   9.702
  362   1HG   GLU  47           HG2      GLU  47 -11.011   4.894  11.295
  363   2HG   GLU  47           HG1      GLU  47 -11.128   3.237  10.695
  364    H    LYS  48           HN       LYS  48 -11.605   4.678   5.841
  365    HA   LYS  48           HA       LYS  48 -14.446   5.329   5.514
  366   1HB   LYS  48           HB2      LYS  48 -12.629   6.752   4.499
  367   2HB   LYS  48           HB1      LYS  48 -12.258   5.409   3.410
  368   1HG   LYS  48           HG2      LYS  48 -14.620   5.442   2.613
  369   2HG   LYS  48           HG1      LYS  48 -14.923   6.846   3.634
  370   1HD   LYS  48           HD2      LYS  48 -13.127   8.069   2.405
  371   2HD   LYS  48           HD1      LYS  48 -12.956   6.677   1.340
  372   1HE   LYS  48           HE2      LYS  48 -15.267   6.892   0.604
  373   2HE   LYS  48           HE1      LYS  48 -15.534   8.210   1.742
  374   1HZ   LYS  48           HZ2      LYS  48 -13.641   9.363   0.558
  375   2HZ   LYS  48           HZ1      LYS  48 -13.806   8.191  -0.660
  376   3HZ   LYS  48           HZ3      LYS  48 -15.098   9.229  -0.304
  377    H    TYR  49           HN       TYR  49 -12.119   2.947   4.392
  378    HA   TYR  49           HA       TYR  49 -14.402   1.285   3.350
  379   1HB   TYR  49           HB2      TYR  49 -11.560   1.463   2.273
  380   2HB   TYR  49           HB1      TYR  49 -12.775   0.307   1.729
  381    HD1  TYR  49           HD2      TYR  49 -15.073   1.325   0.970
  382    HD2  TYR  49           HD1      TYR  49 -11.403   3.548   1.195
  383    HE1  TYR  49           HE2      TYR  49 -16.002   3.017  -0.585
  384    HE2  TYR  49           HE1      TYR  49 -12.331   5.239  -0.364
  385    HH   TYR  49           HH       TYR  49 -14.985   4.731  -2.260
  386    H    SER  50           HN       SER  50 -14.248   0.788   5.752
  387    HA   SER  50           HA       SER  50 -12.030  -0.680   6.817
  388   1HB   SER  50           HB2      SER  50 -13.506  -1.203   8.632
  389   2HB   SER  50           HB1      SER  50 -13.924   0.418   8.110
  390    HG   SER  50           HG       SER  50 -15.639  -0.452   6.928
  391    H    ASN  51           HN       ASN  51 -14.381  -1.416   4.506
  392    HA   ASN  51           HA       ASN  51 -14.408  -4.312   4.959
  393   1HB   ASN  51           HB2      ASN  51 -16.336  -3.019   3.934
  394   2HB   ASN  51           HB1      ASN  51 -15.328  -2.801   2.503
  395   1HD2  ASN  51          HD22      ASN  51 -16.105  -5.984   1.253
  396   2HD2  ASN  51          HD21      ASN  51 -15.549  -4.409   0.956
  397    H    VAL  52           HN       VAL  52 -12.227  -2.144   3.799
  398    HA   VAL  52           HA       VAL  52 -10.927  -4.155   2.010
  399    HB   VAL  52           HB       VAL  52 -10.911  -1.122   1.921
  400   1HG1  VAL  52          HG12      VAL  52  -8.975  -3.131   0.808
  401   2HG1  VAL  52          HG11      VAL  52  -9.375  -1.727  -0.182
  402   3HG1  VAL  52          HG13      VAL  52  -8.677  -1.510   1.420
  403   1HG2  VAL  52          HG23      VAL  52 -11.766  -3.310   0.004
  404   2HG2  VAL  52          HG22      VAL  52 -12.789  -2.089   0.761
  405   3HG2  VAL  52          HG21      VAL  52 -11.614  -1.617  -0.466
  406    H    ILE  53           HN       ILE  53  -8.764  -4.620   2.505
  407    HA   ILE  53           HA       ILE  53  -7.876  -3.628   5.183
  408    HB   ILE  53           HB       ILE  53  -6.669  -5.826   3.482
  409   1HG1  ILE  53          HG12      ILE  53  -8.996  -6.408   3.850
  410   2HG1  ILE  53          HG11      ILE  53  -8.016  -7.364   4.958
  411   1HG2  ILE  53          HG23      ILE  53  -5.452  -4.732   5.518
  412   2HG2  ILE  53          HG22      ILE  53  -6.628  -5.606   6.491
  413   3HG2  ILE  53          HG21      ILE  53  -5.534  -6.489   5.430
  414   1HD1  ILE  53          HD12      ILE  53  -8.452  -5.436   6.654
  415   2HD1  ILE  53          HD11      ILE  53  -9.760  -4.980   5.567
  416   3HD1  ILE  53          HD13      ILE  53  -9.761  -6.571   6.326
  417    H    PHE  54           HN       PHE  54  -6.375  -2.022   5.258
  418    HA   PHE  54           HA       PHE  54  -4.735  -1.424   2.828
  419   1HB   PHE  54           HB2      PHE  54  -5.339   0.169   5.334
  420   2HB   PHE  54           HB1      PHE  54  -4.218   0.706   4.087
  421    HD1  PHE  54           HD1      PHE  54  -7.735  -0.465   4.575
  422    HD2  PHE  54           HD2      PHE  54  -5.028   1.885   2.221
  423    HE1  PHE  54           HE1      PHE  54  -9.644   0.435   3.272
  424    HE2  PHE  54           HE2      PHE  54  -6.933   2.777   0.909
  425    HZ   PHE  54           HZ       PHE  54  -9.240   2.046   1.435
  426    H    LEU  55           HN       LEU  55  -2.537  -1.810   2.834
  427    HA   LEU  55           HA       LEU  55  -1.222  -2.443   5.462
  428   1HB   LEU  55           HB2      LEU  55  -0.618  -3.574   2.714
  429   2HB   LEU  55           HB1      LEU  55   0.480  -3.731   4.084
  430    HG   LEU  55           HG       LEU  55  -1.244  -4.933   5.342
  431   1HD1  LEU  55          HD11      LEU  55  -2.966  -4.148   3.034
  432   2HD1  LEU  55          HD13      LEU  55  -3.260  -5.720   3.782
  433   3HD1  LEU  55          HD12      LEU  55  -3.340  -4.265   4.754
  434   1HD2  LEU  55          HD23      LEU  55  -0.431  -5.918   2.621
  435   2HD2  LEU  55          HD22      LEU  55   0.095  -6.457   4.218
  436   3HD2  LEU  55          HD21      LEU  55  -1.497  -6.911   3.618
  437    H    GLU  56           HN       GLU  56   0.672  -1.428   5.921
  438    HA   GLU  56           HA       GLU  56   1.605   0.667   3.980
  439   1HB   GLU  56           HB2      GLU  56   0.718   1.412   6.258
  440   2HB   GLU  56           HB1      GLU  56   2.089   0.566   6.978
  441   1HG   GLU  56           HG2      GLU  56   3.624   1.946   5.569
  442   2HG   GLU  56           HG1      GLU  56   2.223   2.854   4.989
  443    H    VAL  57           HN       VAL  57   3.654   0.345   3.183
  444    HA   VAL  57           HA       VAL  57   5.401  -1.664   4.586
  445    HB   VAL  57           HB       VAL  57   5.077  -1.307   1.598
  446   1HG1  VAL  57          HG12      VAL  57   6.604  -3.273   3.323
  447   2HG1  VAL  57          HG11      VAL  57   6.351  -3.475   1.592
  448   3HG1  VAL  57          HG13      VAL  57   7.287  -2.108   2.192
  449   1HG2  VAL  57          HG22      VAL  57   4.001  -3.375   3.531
  450   2HG2  VAL  57          HG21      VAL  57   3.060  -2.250   2.559
  451   3HG2  VAL  57          HG23      VAL  57   3.961  -3.548   1.776
  452    H    ASP  58           HN       ASP  58   7.465  -1.066   4.882
  453    HA   ASP  58           HA       ASP  58   8.344   1.617   3.935
  454   1HB   ASP  58           HB2      ASP  58   8.466   0.859   6.372
  455   2HB   ASP  58           HB1      ASP  58   9.716  -0.277   5.851
  456    H    VAL  59           HN       VAL  59   9.599   1.630   2.088
  457    HA   VAL  59           HA       VAL  59  10.717  -0.823   1.008
  458    HB   VAL  59           HB       VAL  59  11.894   0.715  -0.571
  459   1HG1  VAL  59          HG12      VAL  59   8.968   1.323  -0.044
  460   2HG1  VAL  59          HG11      VAL  59   9.821   1.727  -1.531
  461   3HG1  VAL  59          HG13      VAL  59   9.603   0.039  -1.075
  462   1HG2  VAL  59          HG21      VAL  59  10.658   2.833   1.207
  463   2HG2  VAL  59          HG23      VAL  59  12.378   2.551   0.943
  464   3HG2  VAL  59          HG22      VAL  59  11.372   3.157  -0.373
  465    H    ASP  60           HN       ASP  60  11.707   1.450   3.402
  466    HA   ASP  60           HA       ASP  60  14.570   0.704   3.159
  467   1HB   ASP  60           HB2      ASP  60  13.025   2.763   4.713
  468   2HB   ASP  60           HB1      ASP  60  14.673   2.361   5.172
  469    H    ASP  61           HN       ASP  61  11.914   0.317   5.554
  470    HA   ASP  61           HA       ASP  61  13.753  -1.391   7.190
  471   1HB   ASP  61           HB2      ASP  61  10.913  -0.481   7.782
  472   2HB   ASP  61           HB1      ASP  61  11.967  -1.374   8.875
  473    H    ALA  62           HN       ALA  62  11.306  -1.557   4.836
  474    HA   ALA  62           HA       ALA  62  11.011  -4.505   5.267
  475   1HB   ALA  62           HB1      ALA  62   8.953  -2.777   5.561
  476   2HB   ALA  62           HB3      ALA  62   8.862  -3.006   3.813
  477   3HB   ALA  62           HB2      ALA  62   8.729  -4.395   4.895
  478    H    GLN  63           HN       GLN  63  13.059  -3.268   3.784
  479    HA   GLN  63           HA       GLN  63  12.532  -2.927   1.020
  480   1HB   GLN  63           HB2      GLN  63  14.916  -3.232   0.691
  481   2HB   GLN  63           HB1      GLN  63  14.669  -2.324   2.181
  482   1HG   GLN  63           HG2      GLN  63  14.786  -4.545   3.417
  483   2HG   GLN  63           HG1      GLN  63  15.346  -5.257   1.901
  484   1HE2  GLN  63          HE22      GLN  63  18.228  -3.916   4.047
  485   2HE2  GLN  63          HE21      GLN  63  16.870  -4.833   4.487
  486    H    ASP  64           HN       ASP  64  12.780  -5.852   2.923
  487    HA   ASP  64           HA       ASP  64  13.389  -7.630   0.776
  488   1HB   ASP  64           HB2      ASP  64  12.284  -9.368   2.257
  489   2HB   ASP  64           HB1      ASP  64  13.577  -8.451   3.022
  490    H    VAL  65           HN       VAL  65  10.356  -6.263   1.983
  491    HA   VAL  65           HA       VAL  65   8.647  -7.845   0.290
  492    HB   VAL  65           HB       VAL  65   8.046  -5.054   1.301
  493   1HG1  VAL  65          HG11      VAL  65   6.473  -6.247  -0.275
  494   2HG1  VAL  65          HG13      VAL  65   6.251  -7.469   0.978
  495   3HG1  VAL  65          HG12      VAL  65   5.761  -5.800   1.278
  496   1HG2  VAL  65          HG22      VAL  65   8.195  -7.654   2.812
  497   2HG2  VAL  65          HG21      VAL  65   8.802  -6.070   3.277
  498   3HG2  VAL  65          HG23      VAL  65   7.070  -6.396   3.314
  499    H    ALA  66           HN       ALA  66  10.052  -4.580   0.015
  500    HA   ALA  66           HA       ALA  66   8.831  -4.031  -2.537
  501   1HB   ALA  66           HB2      ALA  66   9.841  -2.410  -0.717
  502   2HB   ALA  66           HB1      ALA  66  11.322  -2.616  -1.652
  503   3HB   ALA  66           HB3      ALA  66   9.872  -1.967  -2.422
  504    H    SER  67           HN       SER  67  12.010  -5.293  -1.592
  505    HA   SER  67           HA       SER  67  13.240  -5.107  -4.153
  506   1HB   SER  67           HB2      SER  67  14.774  -6.837  -3.342
  507   2HB   SER  67           HB1      SER  67  14.451  -5.674  -2.059
  508    HG   SER  67           HG       SER  67  12.847  -7.968  -2.347
  509    H    GLU  68           HN       GLU  68  11.060  -7.533  -2.787
  510    HA   GLU  68           HA       GLU  68  11.334  -9.468  -4.885
  511   1HB   GLU  68           HB2      GLU  68  10.210  -9.858  -2.655
  512   2HB   GLU  68           HB1      GLU  68   8.845  -8.907  -3.241
  513   1HG   GLU  68           HG2      GLU  68   9.900 -11.317  -4.744
  514   2HG   GLU  68           HG1      GLU  68   8.648 -11.451  -3.512
  515    H    ALA  69           HN       ALA  69   9.308  -6.590  -4.513
  516    HA   ALA  69           HA       ALA  69   7.924  -7.115  -7.059
  517   1HB   ALA  69           HB2      ALA  69   7.736  -4.923  -4.995
  518   2HB   ALA  69           HB1      ALA  69   6.866  -4.850  -6.528
  519   3HB   ALA  69           HB3      ALA  69   6.537  -6.156  -5.389
  520    H    GLU  70           HN       GLU  70  10.901  -5.838  -6.292
  521    HA   GLU  70           HA       GLU  70  12.394  -4.461  -7.466
  522   1HB   GLU  70           HB2      GLU  70  10.523  -5.079  -9.770
  523   2HB   GLU  70           HB1      GLU  70  12.131  -4.392  -9.918
  524   1HG   GLU  70           HG2      GLU  70  11.532  -7.072  -8.653
  525   2HG   GLU  70           HG1      GLU  70  12.087  -6.843 -10.312
  526    H    VAL  71           HN       VAL  71  10.598  -2.961  -5.996
  527    HA   VAL  71           HA       VAL  71   9.078  -1.116  -7.573
  528    HB   VAL  71           HB       VAL  71  10.397  -0.539  -4.901
  529   1HG1  VAL  71          HG11      VAL  71   8.025   0.610  -6.406
  530   2HG1  VAL  71          HG13      VAL  71   8.340   0.946  -4.707
  531   3HG1  VAL  71          HG12      VAL  71   9.502   1.449  -5.938
  532   1HG2  VAL  71          HG22      VAL  71   7.838  -2.000  -5.627
  533   2HG2  VAL  71          HG21      VAL  71   9.138  -2.550  -4.573
  534   3HG2  VAL  71          HG23      VAL  71   8.066  -1.254  -4.046
  535    H    LYS  72           HN       LYS  72   9.718   0.634  -8.716
  536    HA   LYS  72           HA       LYS  72  12.627   1.258  -8.771
  537   1HB   LYS  72           HB2      LYS  72  10.425   1.856 -10.755
  538   2HB   LYS  72           HB1      LYS  72  12.133   2.207 -10.992
  539   1HG   LYS  72           HG2      LYS  72  11.241  -0.618 -10.361
  540   2HG   LYS  72           HG1      LYS  72  11.156  -0.007 -12.011
  541   1HD   LYS  72           HD2      LYS  72  13.592   0.590 -11.849
  542   2HD   LYS  72           HD1      LYS  72  13.632  -0.208 -10.275
  543   1HE   LYS  72           HE2      LYS  72  12.845  -2.310 -11.328
  544   2HE   LYS  72           HE1      LYS  72  12.845  -1.511 -12.900
  545   1HZ   LYS  72           HZ3      LYS  72  15.293  -0.969 -12.232
  546   2HZ   LYS  72           HZ2      LYS  72  15.109  -2.329 -11.226
  547   3HZ   LYS  72           HZ1      LYS  72  14.896  -2.476 -12.906
  548    H    ALA  73           HN       ALA  73   9.641   2.538  -7.667
  549    HA   ALA  73           HA       ALA  73  10.956   5.016  -6.866
  550   1HB   ALA  73           HB2      ALA  73  10.136   5.253  -9.344
  551   2HB   ALA  73           HB1      ALA  73   8.542   5.444  -8.605
  552   3HB   ALA  73           HB3      ALA  73   9.847   6.568  -8.203
  553    H    THR  74           HN       THR  74   9.658   6.302  -5.417
  554    HA   THR  74           HA       THR  74   7.158   4.999  -4.406
  555    HB   THR  74           HB       THR  74   7.887   5.399  -2.119
  556    HG1  THR  74           HG1      THR  74   9.117   7.361  -3.052
  557   1HG2  THR  74          HG23      THR  74   8.810   3.380  -3.198
  558   2HG2  THR  74          HG22      THR  74  10.221   4.315  -3.671
  559   3HG2  THR  74          HG21      THR  74   9.890   4.034  -1.967
  560    HA   PRO  75           HA       PRO  75   5.779   5.712  -2.570
  561   1HB   PRO  75           HB2      PRO  75   3.215   6.732  -2.634
  562   2HB   PRO  75           HB1      PRO  75   4.453   7.224  -1.472
  563   1HG   PRO  75           HG2      PRO  75   3.426   8.684  -3.851
  564   2HG   PRO  75           HG1      PRO  75   4.109   9.322  -2.351
  565   1HD   PRO  75           HD2      PRO  75   5.456   9.133  -4.838
  566   2HD   PRO  75           HD1      PRO  75   6.228   9.431  -3.255
  567    H    THR  76           HN       THR  76   4.812   3.836  -3.238
  568    HA   THR  76           HA       THR  76   3.391   3.838  -5.876
  569    HB   THR  76           HB       THR  76   5.300   1.715  -4.863
  570    HG1  THR  76           HG1      THR  76   6.182   3.714  -5.731
  571   1HG2  THR  76          HG23      THR  76   3.428   1.876  -7.219
  572   2HG2  THR  76          HG22      THR  76   4.912   0.928  -7.324
  573   3HG2  THR  76          HG21      THR  76   3.700   0.532  -6.108
  574    H    PHE  77           HN       PHE  77   1.526   2.739  -5.874
  575    HA   PHE  77           HA       PHE  77   0.704   1.348  -3.346
  576   1HB   PHE  77           HB2      PHE  77  -0.996   2.742  -5.444
  577   2HB   PHE  77           HB1      PHE  77  -1.601   1.975  -3.972
  578    HD1  PHE  77           HD1      PHE  77  -1.116   2.953  -1.749
  579    HD2  PHE  77           HD2      PHE  77   0.182   4.855  -5.379
  580    HE1  PHE  77           HE1      PHE  77  -0.665   5.046  -0.491
  581    HE2  PHE  77           HE2      PHE  77   0.640   6.950  -4.120
  582    HZ   PHE  77           HZ       PHE  77   0.214   7.047  -1.676
  583    H    GLN  78           HN       GLN  78   0.229  -0.807  -3.550
  584    HA   GLN  78           HA       GLN  78  -0.230  -1.886  -6.318
  585   1HB   GLN  78           HB2      GLN  78   1.259  -3.134  -4.000
  586   2HB   GLN  78           HB1      GLN  78   0.736  -4.039  -5.420
  587   1HG   GLN  78           HG2      GLN  78   1.998  -2.439  -6.848
  588   2HG   GLN  78           HG1      GLN  78   2.614  -1.658  -5.394
  589   1HE2  GLN  78          HE22      GLN  78   5.249  -4.062  -6.231
  590   2HE2  GLN  78          HE21      GLN  78   4.680  -2.548  -6.750
  591    H    PHE  79           HN       PHE  79  -1.937  -3.220  -6.572
  592    HA   PHE  79           HA       PHE  79  -3.728  -3.544  -4.183
  593   1HB   PHE  79           HB2      PHE  79  -4.313  -3.481  -7.155
  594   2HB   PHE  79           HB1      PHE  79  -5.520  -3.820  -5.905
  595    HD1  PHE  79           HD2      PHE  79  -3.121  -1.297  -7.174
  596    HD2  PHE  79           HD1      PHE  79  -6.365  -2.088  -4.490
  597    HE1  PHE  79           HE2      PHE  79  -3.296   1.120  -6.681
  598    HE2  PHE  79           HE1      PHE  79  -6.534   0.322  -3.981
  599    HZ   PHE  79           HZ       PHE  79  -5.008   1.939  -5.080
  600    H    PHE  80           HN       PHE  80  -4.232  -5.501  -3.476
  601    HA   PHE  80           HA       PHE  80  -3.594  -7.872  -5.165
  602   1HB   PHE  80           HB2      PHE  80  -2.977  -7.434  -2.243
  603   2HB   PHE  80           HB1      PHE  80  -2.980  -9.028  -2.989
  604    HD1  PHE  80           HD1      PHE  80  -1.302  -9.649  -4.658
  605    HD2  PHE  80           HD2      PHE  80  -1.238  -5.769  -2.792
  606    HE1  PHE  80           HE1      PHE  80   1.022  -9.310  -5.438
  607    HE2  PHE  80           HE2      PHE  80   1.085  -5.440  -3.581
  608    HZ   PHE  80           HZ       PHE  80   2.217  -7.207  -4.897
  609    H    LYS  81           HN       LYS  81  -5.053  -9.586  -4.985
  610    HA   LYS  81           HA       LYS  81  -7.294  -9.339  -3.059
  611   1HB   LYS  81           HB2      LYS  81  -7.791  -8.125  -5.326
  612   2HB   LYS  81           HB1      LYS  81  -7.881  -9.753  -6.001
  613   1HG   LYS  81           HG2      LYS  81  -9.580 -10.327  -4.258
  614   2HG   LYS  81           HG1      LYS  81  -9.540  -8.652  -3.720
  615   1HD   LYS  81           HD2      LYS  81 -10.137  -7.969  -6.075
  616   2HD   LYS  81           HD1      LYS  81 -10.406  -9.675  -6.432
  617   1HE   LYS  81           HE2      LYS  81 -11.790  -8.181  -4.189
  618   2HE   LYS  81           HE1      LYS  81 -12.500  -8.440  -5.781
  619   1HZ   LYS  81           HZ1      LYS  81 -12.142 -10.856  -5.415
  620   2HZ   LYS  81           HZ3      LYS  81 -11.692 -10.506  -3.818
  621   3HZ   LYS  81           HZ2      LYS  81 -13.265 -10.151  -4.352
  622    H    LYS  82           HN       LYS  82  -7.766 -11.397  -2.345
  623    HA   LYS  82           HA       LYS  82  -7.626 -13.731  -2.166
  624   1HB   LYS  82           HB2      LYS  82  -7.802 -13.468  -5.187
  625   2HB   LYS  82           HB1      LYS  82  -7.919 -14.993  -4.319
  626   1HG   LYS  82           HG2      LYS  82  -9.861 -14.128  -3.068
  627   2HG   LYS  82           HG1      LYS  82  -9.760 -12.617  -3.965
  628   1HD   LYS  82           HD2      LYS  82 -10.040 -13.908  -6.088
  629   2HD   LYS  82           HD1      LYS  82 -10.275 -15.366  -5.123
  630   1HE   LYS  82           HE2      LYS  82 -11.960 -12.870  -4.816
  631   2HE   LYS  82           HE1      LYS  82 -12.424 -14.245  -5.820
  632   1HZ   LYS  82           HZ2      LYS  82 -11.586 -15.044  -3.212
  633   2HZ   LYS  82           HZ1      LYS  82 -12.895 -13.966  -3.145
  634   3HZ   LYS  82           HZ3      LYS  82 -13.025 -15.401  -4.037
  635    H    GLY  83           HN       GLY  83  -5.108 -12.114  -2.430
  636   1HA   GLY  83           HA2      GLY  83  -2.843 -12.760  -2.271
  637   2HA   GLY  83           HA1      GLY  83  -3.310 -14.385  -2.749
  638    H    GLN  84           HN       GLN  84  -4.472 -11.924  -4.851
  639    HA   GLN  84           HA       GLN  84  -2.214 -12.446  -6.755
  640   1HB   GLN  84           HB2      GLN  84  -5.183 -12.302  -7.305
  641   2HB   GLN  84           HB1      GLN  84  -3.953 -12.289  -8.567
  642   1HG   GLN  84           HG2      GLN  84  -3.093 -14.462  -7.710
  643   2HG   GLN  84           HG1      GLN  84  -4.406 -14.488  -6.530
  644   1HE2  GLN  84          HE22      GLN  84  -6.819 -14.522  -9.432
  645   2HE2  GLN  84          HE21      GLN  84  -6.456 -13.370  -8.237
  646    H    LYS  85           HN       LYS  85  -1.457 -10.672  -7.924
  647    HA   LYS  85           HA       LYS  85  -2.217  -8.015  -6.945
  648   1HB   LYS  85           HB2      LYS  85   0.121  -8.669  -7.535
  649   2HB   LYS  85           HB1      LYS  85  -0.368  -8.754  -9.226
  650   1HG   LYS  85           HG2      LYS  85  -1.163  -6.345  -8.997
  651   2HG   LYS  85           HG1      LYS  85  -0.367  -6.309  -7.430
  652   1HD   LYS  85           HD2      LYS  85   1.077  -7.087  -9.969
  653   2HD   LYS  85           HD1      LYS  85   0.991  -5.426  -9.399
  654   1HE   LYS  85           HE2      LYS  85   2.184  -7.772  -7.895
  655   2HE   LYS  85           HE1      LYS  85   3.068  -6.439  -8.624
  656   1HZ   LYS  85           HZ3      LYS  85   1.835  -4.919  -7.156
  657   2HZ   LYS  85           HZ2      LYS  85   1.126  -6.260  -6.390
  658   3HZ   LYS  85           HZ1      LYS  85   2.805  -6.017  -6.304
  659    H    VAL  86           HN       VAL  86  -3.748  -6.745  -7.827
  660    HA   VAL  86           HA       VAL  86  -4.660  -7.304 -10.629
  661    HB   VAL  86           HB       VAL  86  -6.913  -6.497  -9.846
  662   1HG1  VAL  86          HG13      VAL  86  -6.271  -8.929 -10.041
  663   2HG1  VAL  86          HG12      VAL  86  -5.891  -8.905  -8.316
  664   3HG1  VAL  86          HG11      VAL  86  -7.542  -8.611  -8.859
  665   1HG2  VAL  86          HG22      VAL  86  -5.974  -5.322  -7.810
  666   2HG2  VAL  86          HG21      VAL  86  -7.357  -6.358  -7.472
  667   3HG2  VAL  86          HG23      VAL  86  -5.729  -6.910  -7.085
  668    H    GLY  87           HN       GLY  87  -2.847  -5.148  -9.050
  669   1HA   GLY  87           HA2      GLY  87  -3.388  -3.039 -10.918
  670   2HA   GLY  87           HA1      GLY  87  -4.168  -2.651  -9.390
  671    H    GLU  88           HN       GLU  88  -2.031  -1.221 -10.671
  672    HA   GLU  88           HA       GLU  88  -0.255  -0.887  -8.412
  673   1HB   GLU  88           HB2      GLU  88   0.982  -2.716  -9.213
  674   2HB   GLU  88           HB1      GLU  88   0.701  -2.293 -10.895
  675   1HG   GLU  88           HG2      GLU  88   3.031  -1.853 -10.249
  676   2HG   GLU  88           HG1      GLU  88   2.230  -0.339 -10.635
  677    H    PHE  89           HN       PHE  89   0.514   1.200  -8.403
  678    HA   PHE  89           HA       PHE  89   1.006   2.654 -10.862
  679   1HB   PHE  89           HB2      PHE  89  -0.739   4.221 -10.863
  680   2HB   PHE  89           HB1      PHE  89  -1.553   2.696 -10.558
  681    HD1  PHE  89           HD1      PHE  89  -0.144   5.709  -8.873
  682    HD2  PHE  89           HD2      PHE  89  -2.861   2.400  -8.596
  683    HE1  PHE  89           HE1      PHE  89  -1.117   6.686  -6.809
  684    HE2  PHE  89           HE2      PHE  89  -3.838   3.376  -6.530
  685    HZ   PHE  89           HZ       PHE  89  -2.970   5.525  -5.645
  686    H    SER  90           HN       SER  90   1.855   4.805 -10.461
  687    HA   SER  90           HA       SER  90   2.822   5.219  -7.653
  688   1HB   SER  90           HB2      SER  90   4.956   5.998  -8.606
  689   2HB   SER  90           HB1      SER  90   4.643   4.316  -9.031
  690    HG   SER  90           HG       SER  90   4.506   6.645 -10.602
  691    H    GLY  91           HN       GLY  91   3.435   7.434  -7.181
  692   1HA   GLY  91           HA2      GLY  91   3.483   9.786  -8.151
  693   2HA   GLY  91           HA1      GLY  91   1.894   9.433  -8.819
  694    H    ALA  92           HN       ALA  92   2.873  11.413  -6.712
  695    HA   ALA  92           HA       ALA  92   1.653  10.532  -4.224
  696   1HB   ALA  92           HB2      ALA  92   2.700  13.150  -5.290
  697   2HB   ALA  92           HB1      ALA  92   1.855  13.084  -3.745
  698   3HB   ALA  92           HB3      ALA  92   3.341  12.163  -3.980
  699    H    ASN  93           HN       ASN  93  -0.388   9.907  -5.666
  700    HA   ASN  93           HA       ASN  93  -2.294  12.227  -5.647
  701   1HB   ASN  93           HB2      ASN  93  -1.759  11.242  -7.925
  702   2HB   ASN  93           HB1      ASN  93  -2.518   9.750  -7.363
  703   1HD2  ASN  93          HD22      ASN  93  -5.394  12.465  -6.862
  704   2HD2  ASN  93          HD21      ASN  93  -4.096  12.244  -5.786
  705    H    LYS  94           HN       LYS  94  -3.136  11.870  -3.575
  706    HA   LYS  94           HA       LYS  94  -3.741   9.247  -2.553
  707   1HB   LYS  94           HB2      LYS  94  -5.098  10.550  -0.883
  708   2HB   LYS  94           HB1      LYS  94  -3.409  11.030  -0.999
  709   1HG   LYS  94           HG2      LYS  94  -5.112  12.520  -2.888
  710   2HG   LYS  94           HG1      LYS  94  -5.641  12.737  -1.226
  711   1HD   LYS  94           HD2      LYS  94  -3.237  13.310  -0.642
  712   2HD   LYS  94           HD1      LYS  94  -2.901  13.323  -2.379
  713   1HE   LYS  94           HE2      LYS  94  -4.643  15.020  -2.715
  714   2HE   LYS  94           HE1      LYS  94  -5.026  14.981  -0.994
  715   1HZ   LYS  94           HZ2      LYS  94  -2.418  15.456  -0.895
  716   2HZ   LYS  94           HZ1      LYS  94  -2.781  16.215  -2.371
  717   3HZ   LYS  94           HZ3      LYS  94  -3.582  16.690  -0.953
  718    H    GLU  95           HN       GLU  95  -5.666  11.613  -4.382
  719    HA   GLU  95           HA       GLU  95  -8.213  10.389  -3.925
  720   1HB   GLU  95           HB2      GLU  95  -7.231  11.984  -6.311
  721   2HB   GLU  95           HB1      GLU  95  -8.918  11.631  -5.940
  722   1HG   GLU  95           HG2      GLU  95  -7.085  13.061  -4.006
  723   2HG   GLU  95           HG1      GLU  95  -8.101  13.911  -5.169
  724    H    LYS  96           HN       LYS  96  -5.599   9.698  -6.136
  725    HA   LYS  96           HA       LYS  96  -6.973   8.074  -8.014
  726   1HB   LYS  96           HB2      LYS  96  -4.590   8.928  -8.092
  727   2HB   LYS  96           HB1      LYS  96  -4.163   7.630  -6.997
  728   1HG   LYS  96           HG2      LYS  96  -4.706   5.947  -8.566
  729   2HG   LYS  96           HG1      LYS  96  -5.604   7.073  -9.590
  730   1HD   LYS  96           HD2      LYS  96  -3.483   8.291 -10.062
  731   2HD   LYS  96           HD1      LYS  96  -2.608   7.088  -9.119
  732   1HE   LYS  96           HE2      LYS  96  -3.410   5.310 -10.644
  733   2HE   LYS  96           HE1      LYS  96  -4.267   6.524 -11.596
  734   1HZ   LYS  96           HZ1      LYS  96  -2.044   7.653 -11.834
  735   2HZ   LYS  96           HZ3      LYS  96  -1.347   6.235 -11.220
  736   3HZ   LYS  96           HZ2      LYS  96  -2.227   6.185 -12.670
  737    H    LEU  97           HN       LEU  97  -5.671   7.370  -4.812
  738    HA   LEU  97           HA       LEU  97  -5.856   4.538  -4.862
  739   1HB   LEU  97           HB2      LEU  97  -6.267   6.559  -2.639
  740   2HB   LEU  97           HB1      LEU  97  -6.281   4.828  -2.353
  741    HG   LEU  97           HG       LEU  97  -3.959   6.227  -3.681
  742   1HD1  LEU  97          HD13      LEU  97  -4.479   5.684  -0.745
  743   2HD1  LEU  97          HD12      LEU  97  -2.894   6.108  -1.393
  744   3HD1  LEU  97          HD11      LEU  97  -4.229   7.252  -1.506
  745   1HD2  LEU  97          HD23      LEU  97  -4.596   3.471  -3.257
  746   2HD2  LEU  97          HD22      LEU  97  -3.066   4.134  -3.804
  747   3HD2  LEU  97          HD21      LEU  97  -3.336   3.859  -2.091
  748    H    GLU  98           HN       GLU  98  -8.215   7.061  -4.147
  749    HA   GLU  98           HA       GLU  98 -10.320   5.313  -3.296
  750   1HB   GLU  98           HB2      GLU  98 -10.362   7.769  -2.950
  751   2HB   GLU  98           HB1      GLU  98 -10.592   7.995  -4.686
  752   1HG   GLU  98           HG2      GLU  98 -12.699   6.629  -4.542
  753   2HG   GLU  98           HG1      GLU  98 -12.473   6.546  -2.792
  754    H    ALA  99           HN       ALA  99  -9.542   6.606  -6.528
  755    HA   ALA  99           HA       ALA  99 -11.826   5.392  -7.774
  756   1HB   ALA  99           HB1      ALA  99 -10.433   7.258  -8.755
  757   2HB   ALA  99           HB3      ALA  99  -9.193   6.056  -9.113
  758   3HB   ALA  99           HB2      ALA  99 -10.780   5.941  -9.874
  759    H    THR 100           HN       THR 100  -8.430   4.280  -7.487
  760    HA   THR 100           HA       THR 100  -8.872   1.889  -9.006
  761    HB   THR 100           HB       THR 100  -6.892   2.216  -6.735
  762    HG1  THR 100           HG1      THR 100  -6.517   2.851  -9.468
  763   1HG2  THR 100          HG22      THR 100  -6.990   0.532  -9.250
  764   2HG2  THR 100          HG21      THR 100  -5.554   0.700  -8.242
  765   3HG2  THR 100          HG23      THR 100  -7.012  -0.044  -7.584
  766    H    ILE 101           HN       ILE 101  -9.194   2.641  -5.550
  767    HA   ILE 101           HA       ILE 101  -9.862  -0.040  -4.674
  768    HB   ILE 101           HB       ILE 101 -10.585   2.701  -3.561
  769   1HG1  ILE 101          HG12      ILE 101  -8.682   0.634  -2.434
  770   2HG1  ILE 101          HG11      ILE 101  -8.157   1.862  -3.580
  771   1HG2  ILE 101          HG21      ILE 101 -11.131  -0.089  -2.517
  772   2HG2  ILE 101          HG23      ILE 101 -11.074   1.313  -1.449
  773   3HG2  ILE 101          HG22      ILE 101 -12.279   1.233  -2.736
  774   1HD1  ILE 101          HD12      ILE 101  -8.982   3.633  -2.066
  775   2HD1  ILE 101          HD11      ILE 101  -9.484   2.399  -0.913
  776   3HD1  ILE 101          HD13      ILE 101  -7.774   2.623  -1.274
  777    H    ASN 102           HN       ASN 102 -11.748   2.782  -5.634
  778    HA   ASN 102           HA       ASN 102 -14.343   1.653  -5.404
  779   1HB   ASN 102           HB2      ASN 102 -13.755   4.100  -5.738
  780   2HB   ASN 102           HB1      ASN 102 -13.401   3.723  -7.425
  781   1HD2  ASN 102          HD22      ASN 102 -17.226   2.691  -6.844
  782   2HD2  ASN 102          HD21      ASN 102 -15.935   1.798  -6.208
  783    H    GLU 103           HN       GLU 103 -11.915   1.595  -7.934
  784    HA   GLU 103           HA       GLU 103 -13.538   0.406  -9.983
  785   1HB   GLU 103           HB2      GLU 103 -11.300   1.608 -10.238
  786   2HB   GLU 103           HB1      GLU 103 -10.545   0.143  -9.621
  787   1HG   GLU 103           HG2      GLU 103 -12.408   0.110 -12.007
  788   2HG   GLU 103           HG1      GLU 103 -10.664   0.321 -12.165
  789    H    LEU 104           HN       LEU 104 -11.386  -0.956  -7.479
  790    HA   LEU 104           HA       LEU 104 -12.062  -3.711  -8.371
  791   1HB   LEU 104           HB2      LEU 104 -10.073  -2.669  -6.348
  792   2HB   LEU 104           HB1      LEU 104 -10.302  -4.375  -6.707
  793    HG   LEU 104           HG       LEU 104  -9.549  -2.289  -8.777
  794   1HD1  LEU 104          HD12      LEU 104  -7.860  -4.104  -7.058
  795   2HD1  LEU 104          HD11      LEU 104  -7.280  -3.491  -8.605
  796   3HD1  LEU 104          HD13      LEU 104  -7.696  -2.367  -7.311
  797   1HD2  LEU 104          HD21      LEU 104  -9.867  -5.296  -8.787
  798   2HD2  LEU 104          HD23      LEU 104 -10.444  -4.120  -9.968
  799   3HD2  LEU 104          HD22      LEU 104  -8.734  -4.533  -9.902
  800    H    VAL 105           HN       VAL 105 -13.374  -1.507  -6.193
  801    HA   VAL 105           HA       VAL 105 -13.772  -3.185  -3.893
  802    HB   VAL 105           HB       VAL 105 -14.192  -0.670  -4.032
  803   1HG1  VAL 105          HG13      VAL 105 -15.698  -1.032  -6.128
  804   2HG1  VAL 105          HG12      VAL 105 -16.958  -1.422  -4.962
  805   3HG1  VAL 105          HG11      VAL 105 -16.192   0.168  -4.936
  806   1HG2  VAL 105          HG23      VAL 105 -14.865  -2.090  -2.106
  807   2HG2  VAL 105          HG22      VAL 105 -15.981  -0.751  -2.369
  808   3HG2  VAL 105          HG21      VAL 105 -16.418  -2.378  -2.889
  809    HA   PRO  59           HA       PRO 106  14.438  16.044 -13.805
  810   1HB   PRO  59           HB2      PRO 106  16.827  15.283 -12.681
  811   2HB   PRO  59           HB1      PRO 106  16.713  16.126 -14.238
  812   1HG   PRO  59           HG2      PRO 106  17.336  17.234 -11.533
  813   2HG   PRO  59           HG1      PRO 106  18.092  17.594 -13.096
  814   1HD   PRO  59           HD2      PRO 106  16.236  19.243 -11.964
  815   2HD   PRO  59           HD1      PRO 106  16.399  19.065 -13.728
  816    H    ALA  60           HN       ALA 107  14.718  17.376 -10.600
  817    HA   ALA  60           HA       ALA 107  14.002  14.742  -9.363
  818   1HB   ALA  60           HB1      ALA 107  15.922  15.953  -8.363
  819   2HB   ALA  60           HB3      ALA 107  14.878  17.342  -8.056
  820   3HB   ALA  60           HB2      ALA 107  14.584  15.812  -7.226
  821    H    THR  61           HN       THR 108  11.878  14.428  -8.936
  822    HA   THR  61           HA       THR 108  10.069  16.822  -8.774
  823    HB   THR  61           HB       THR 108   9.356  13.923  -9.322
  824    HG1  THR  61           HG1      THR 108   9.078  14.914 -11.497
  825   1HG2  THR  61          HG21      THR 108   7.563  15.457  -8.430
  826   2HG2  THR  61          HG23      THR 108   7.803  16.469  -9.853
  827   3HG2  THR  61          HG22      THR 108   7.229  14.812 -10.035
  828    H    LEU  62           HN       LEU 109   9.089  17.239  -6.849
  829    HA   LEU  62           HA       LEU 109   9.700  15.729  -4.480
  830   1HB   LEU  62           HB2      LEU 109   7.623  17.860  -5.059
  831   2HB   LEU  62           HB1      LEU 109   7.881  17.183  -3.451
  832    HG   LEU  62           HG       LEU 109  10.187  18.343  -5.023
  833   1HD1  LEU  62          HD11      LEU 109   8.207  19.821  -3.262
  834   2HD1  LEU  62          HD13      LEU 109   9.772  20.473  -3.747
  835   3HD1  LEU  62          HD12      LEU 109   8.544  20.125  -4.965
  836   1HD2  LEU  62          HD23      LEU 109   9.589  17.885  -2.077
  837   2HD2  LEU  62          HD22      LEU 109  10.837  17.104  -3.048
  838   3HD2  LEU  62          HD21      LEU 109  10.973  18.812  -2.651
  839    H    LYS  63           HN       LYS 110   7.041  15.676  -6.751
  840    HA   LYS  63           HA       LYS 110   5.125  14.262  -5.217
  841   1HB   LYS  63           HB2      LYS 110   5.685  14.083  -8.194
  842   2HB   LYS  63           HB1      LYS 110   4.205  13.546  -7.406
  843   1HG   LYS  63           HG2      LYS 110   5.205  16.389  -7.149
  844   2HG   LYS  63           HG1      LYS 110   4.162  15.892  -8.474
  845   1HD   LYS  63           HD2      LYS 110   2.538  15.019  -6.707
  846   2HD   LYS  63           HD1      LYS 110   3.531  15.862  -5.516
  847   1HE   LYS  63           HE2      LYS 110   3.161  17.987  -6.625
  848   2HE   LYS  63           HE1      LYS 110   2.289  17.190  -7.936
  849   1HZ   LYS  63           HZ3      LYS 110   0.833  16.310  -5.996
  850   2HZ   LYS  63           HZ2      LYS 110   1.453  17.650  -5.158
  851   3HZ   LYS  63           HZ1      LYS 110   0.579  17.876  -6.598
  852    H    ILE  64           HN       ILE 111   8.115  13.202  -6.606
  853    HA   ILE  64           HA       ILE 111   7.501  10.374  -5.770
  854    HB   ILE  64           HB       ILE 111   9.061  11.314  -8.207
  855   1HG1  ILE  64          HG12      ILE 111   6.639  11.346  -8.558
  856   2HG1  ILE  64          HG11      ILE 111   7.358  10.027  -9.462
  857   1HG2  ILE  64          HG21      ILE 111   8.710   8.564  -6.997
  858   2HG2  ILE  64          HG23      ILE 111   9.240   8.825  -8.660
  859   3HG2  ILE  64          HG22      ILE 111  10.226   9.414  -7.319
  860   1HD1  ILE  64          HD11      ILE 111   6.785   8.675  -7.198
  861   2HD1  ILE  64          HD13      ILE 111   5.555   9.930  -7.088
  862   3HD1  ILE  64          HD12      ILE 111   5.611   8.873  -8.492
  863    H    CYS  65           HN       CYS 112   9.189   9.356  -4.618
  864    HA   CYS  65           HA       CYS 112  11.554  11.057  -3.955
  865   1HB   CYS  65           HB2      CYS 112  10.764   8.466  -2.603
  866   2HB   CYS  65           HB1      CYS 112  11.875   9.682  -2.007
  867    H    SER  66           HN       SER 113  13.555  10.426  -4.778
  868    HA   SER  66           HA       SER 113  13.589   8.149  -6.639
  869   1HB   SER  66           HB2      SER 113  15.779  10.088  -5.832
  870   2HB   SER  66           HB1      SER 113  15.873   8.929  -7.156
  871    HG   SER  66           HG       SER 113  13.643  10.185  -7.548
  872    H    TRP  67           HN       TRP 114  14.764   6.240  -6.411
  873    HA   TRP  67           HA       TRP 114  15.444   5.391  -3.707
  874   1HB   TRP  67           HB2      TRP 114  15.754   4.043  -6.410
  875   2HB   TRP  67           HB1      TRP 114  16.213   3.277  -4.887
  876    HD1  TRP  67           HD1      TRP 114  13.125   5.239  -6.111
  877    HE1  TRP  67           HE1      TRP 114  11.018   4.012  -5.306
  878    HE3  TRP  67           HE3      TRP 114  15.244   1.274  -3.703
  879    HZ2  TRP  67           HZ2      TRP 114  10.331   1.699  -3.810
  880    HZ3  TRP  67           HZ3      TRP 114  13.841  -0.426  -2.600
  881    HH2  TRP  67           HH2      TRP 114  11.377  -0.224  -2.661
  882    H    ASN  68           HN       ASN 115  17.074   7.088  -6.146
  883    HA   ASN  68           HA       ASN 115  19.719   6.141  -6.037
  884   1HB   ASN  68           HB2      ASN 115  18.717   9.010  -6.128
  885   2HB   ASN  68           HB1      ASN 115  20.394   8.544  -6.404
  886   1HD2  ASN  68          HD22      ASN 115  18.268   6.560  -9.179
  887   2HD2  ASN  68          HD21      ASN 115  18.263   6.125  -7.540
  888    H    VAL  69           HN       VAL 116  17.781   7.356  -3.507
  889    HA   VAL  69           HA       VAL 116  19.733   8.599  -1.843
  890    HB   VAL  69           HB       VAL 116  18.201   7.903   0.049
  891   1HG1  VAL  69          HG13      VAL 116  17.908   9.978  -1.428
  892   2HG1  VAL  69          HG12      VAL 116  16.669   9.064  -2.290
  893   3HG1  VAL  69          HG11      VAL 116  16.473   9.421  -0.576
  894   1HG2  VAL  69          HG23      VAL 116  17.453   5.768  -1.104
  895   2HG2  VAL  69          HG22      VAL 116  16.138   6.752  -0.471
  896   3HG2  VAL  69          HG21      VAL 116  16.499   6.773  -2.195
  897    H    ASP  70           HN       ASP 117  21.230   7.737  -0.390
  898    HA   ASP  70           HA       ASP 117  22.283   5.136  -0.881
  899   1HB   ASP  70           HB2      ASP 117  22.588   7.026   1.463
  900   2HB   ASP  70           HB1      ASP 117  23.458   5.495   1.367
  901    H    GLY  71           HN       GLY 118  20.007   6.320   1.573
  902   1HA   GLY  71           HA2      GLY 118  19.874   4.061   3.238
  903   2HA   GLY  71           HA1      GLY 118  18.511   5.131   2.937
   
  No H/Q in entry =         903
  Start of MODEL    8
    1   1H    MET   1           HT1      MET   1  -8.926  -1.712   9.179
    2   2H    MET   1           HT3      MET   1  -9.814  -1.964  10.601
    3   3H    MET   1           HT2      MET   1  -9.380  -0.387  10.141
    4    HA   MET   1           HA       MET   1  -7.704  -0.659  11.585
    5   1HB   MET   1           HB2      MET   1  -8.732  -2.818  12.352
    6   2HB   MET   1           HB1      MET   1  -7.827  -3.648  11.086
    7   1HG   MET   1           HG2      MET   1  -5.714  -2.673  12.079
    8   2HG   MET   1           HG1      MET   1  -6.693  -2.089  13.424
    9   1HE   MET   1           HE3      MET   1  -8.297  -3.385  14.590
   10   2HE   MET   1           HE2      MET   1  -8.027  -5.012  15.211
   11   3HE   MET   1           HE1      MET   1  -6.932  -3.707  15.666
   12    H    VAL   2           HN       VAL   2  -5.486  -0.467  11.176
   13    HA   VAL   2           HA       VAL   2  -4.638  -1.075   8.378
   14    HB   VAL   2           HB       VAL   2  -3.418   0.689  10.525
   15   1HG1  VAL   2          HG13      VAL   2  -2.547  -0.002   7.715
   16   2HG1  VAL   2          HG12      VAL   2  -2.076   1.517   8.476
   17   3HG1  VAL   2          HG11      VAL   2  -1.586  -0.017   9.195
   18   1HG2  VAL   2          HG21      VAL   2  -5.100   1.183   8.061
   19   2HG2  VAL   2          HG23      VAL   2  -5.387   1.734   9.711
   20   3HG2  VAL   2          HG22      VAL   2  -4.088   2.447   8.756
   21    H    LYS   3           HN       LYS   3  -2.622  -2.126   7.972
   22    HA   LYS   3           HA       LYS   3  -1.482  -3.682  10.264
   23   1HB   LYS   3           HB2      LYS   3  -3.035  -5.040   8.830
   24   2HB   LYS   3           HB1      LYS   3  -2.008  -4.690   7.445
   25   1HG   LYS   3           HG2      LYS   3  -1.177  -6.767   8.122
   26   2HG   LYS   3           HG1      LYS   3  -0.098  -5.667   8.972
   27   1HD   LYS   3           HD2      LYS   3  -0.707  -7.103  10.696
   28   2HD   LYS   3           HD1      LYS   3  -1.902  -5.834  10.896
   29   1HE   LYS   3           HE2      LYS   3  -3.019  -7.992  10.997
   30   2HE   LYS   3           HE1      LYS   3  -3.501  -7.175   9.517
   31   1HZ   LYS   3           HZ1      LYS   3  -1.164  -8.932   9.414
   32   2HZ   LYS   3           HZ3      LYS   3  -2.696  -9.655   9.513
   33   3HZ   LYS   3           HZ2      LYS   3  -2.333  -8.610   8.223
   34    H    GLN   4           HN       GLN   4   0.675  -3.359  10.409
   35    HA   GLN   4           HA       GLN   4   2.097  -2.125   8.094
   36   1HB   GLN   4           HB2      GLN   4   2.305  -1.003  10.288
   37   2HB   GLN   4           HB1      GLN   4   2.969  -2.484  10.980
   38   1HG   GLN   4           HG2      GLN   4   4.849  -2.385   9.352
   39   2HG   GLN   4           HG1      GLN   4   4.189  -0.881   8.711
   40   1HE2  GLN   4          HE22      GLN   4   6.478   0.570  11.035
   41   2HE2  GLN   4          HE21      GLN   4   6.250   0.158   9.405
   42    H    ILE   5           HN       ILE   5   3.326  -3.408   6.848
   43    HA   ILE   5           HA       ILE   5   4.048  -6.134   7.838
   44    HB   ILE   5           HB       ILE   5   4.269  -4.997   5.044
   45   1HG1  ILE   5          HG12      ILE   5   1.948  -4.805   5.716
   46   2HG1  ILE   5          HG11      ILE   5   2.089  -6.196   4.645
   47   1HG2  ILE   5          HG22      ILE   5   4.325  -7.769   6.235
   48   2HG2  ILE   5          HG21      ILE   5   4.042  -7.476   4.528
   49   3HG2  ILE   5          HG23      ILE   5   5.559  -6.975   5.257
   50   1HD1  ILE   5          HD11      ILE   5   2.398  -7.569   6.839
   51   2HD1  ILE   5          HD13      ILE   5   1.729  -6.149   7.635
   52   3HD1  ILE   5          HD12      ILE   5   0.779  -7.010   6.427
   53    H    GLU   6           HN       GLU   6   6.054  -6.154   8.772
   54    HA   GLU   6           HA       GLU   6   8.135  -4.281   7.807
   55   1HB   GLU   6           HB2      GLU   6   8.113  -6.203  10.154
   56   2HB   GLU   6           HB1      GLU   6   9.372  -5.018   9.807
   57   1HG   GLU   6           HG2      GLU   6   8.037  -3.891  11.372
   58   2HG   GLU   6           HG1      GLU   6   7.430  -3.284   9.836
   59    H    SER   7           HN       SER   7   7.069  -7.314   6.966
   60    HA   SER   7           HA       SER   7   9.660  -7.915   5.694
   61   1HB   SER   7           HB2      SER   7   9.792 -10.200   6.620
   62   2HB   SER   7           HB1      SER   7   9.915  -8.984   7.894
   63    HG   SER   7           HG       SER   7   7.898 -10.805   7.310
   64    H    LYS   8           HN       LYS   8   9.507  -9.648   4.133
   65    HA   LYS   8           HA       LYS   8   7.046  -9.691   2.629
   66   1HB   LYS   8           HB2      LYS   8   9.429 -10.092   1.763
   67   2HB   LYS   8           HB1      LYS   8   9.290 -11.702   2.469
   68   1HG   LYS   8           HG2      LYS   8   7.274 -12.127   1.104
   69   2HG   LYS   8           HG1      LYS   8   7.440 -10.525   0.387
   70   1HD   LYS   8           HD2      LYS   8   8.388 -12.272  -1.088
   71   2HD   LYS   8           HD1      LYS   8   9.620 -11.135  -0.552
   72   1HE   LYS   8           HE2      LYS   8  10.624 -12.698   0.877
   73   2HE   LYS   8           HE1      LYS   8   9.156 -13.674   1.000
   74   1HZ   LYS   8           HZ2      LYS   8   9.478 -14.074  -1.475
   75   2HZ   LYS   8           HZ1      LYS   8  11.053 -13.473  -1.259
   76   3HZ   LYS   8           HZ3      LYS   8  10.556 -14.861  -0.422
   77    H    THR   9           HN       THR   9   8.490 -11.743   5.080
   78    HA   THR   9           HA       THR   9   6.897 -14.047   4.725
   79    HB   THR   9           HB       THR   9   7.878 -12.887   7.344
   80    HG1  THR   9           HG1      THR   9   9.669 -13.168   6.206
   81   1HG2  THR   9          HG21      THR   9   7.166 -15.717   6.525
   82   2HG2  THR   9          HG23      THR   9   7.852 -15.247   8.080
   83   3HG2  THR   9          HG22      THR   9   6.240 -14.694   7.625
   84    H    ALA  10           HN       ALA  10   6.311 -11.205   6.776
   85    HA   ALA  10           HA       ALA  10   3.672 -12.058   7.592
   86   1HB   ALA  10           HB2      ALA  10   5.156  -9.424   7.624
   87   2HB   ALA  10           HB1      ALA  10   3.470  -9.525   8.131
   88   3HB   ALA  10           HB3      ALA  10   4.708 -10.442   8.988
   89    H    PHE  11           HN       PHE  11   4.952 -10.286   4.833
   90    HA   PHE  11           HA       PHE  11   2.548  -9.096   3.876
   91   1HB   PHE  11           HB2      PHE  11   4.911  -8.811   2.933
   92   2HB   PHE  11           HB1      PHE  11   4.709 -10.369   2.163
   93    HD1  PHE  11           HD1      PHE  11   2.845  -7.124   2.525
   94    HD2  PHE  11           HD2      PHE  11   3.920 -10.410  -0.031
   95    HE1  PHE  11           HE1      PHE  11   1.673  -6.042   0.631
   96    HE2  PHE  11           HE2      PHE  11   2.743  -9.325  -1.921
   97    HZ   PHE  11           HZ       PHE  11   1.617  -7.144  -1.587
   98    H    GLN  12           HN       GLN  12   3.933 -12.315   3.360
   99    HA   GLN  12           HA       GLN  12   1.882 -13.283   1.602
  100   1HB   GLN  12           HB2      GLN  12   3.690 -14.741   3.565
  101   2HB   GLN  12           HB1      GLN  12   2.749 -15.526   2.297
  102   1HG   GLN  12           HG2      GLN  12   4.864 -13.398   1.831
  103   2HG   GLN  12           HG1      GLN  12   5.111 -15.130   1.609
  104   1HE2  GLN  12          HE22      GLN  12   3.555 -13.047  -1.405
  105   2HE2  GLN  12          HE21      GLN  12   4.386 -12.364  -0.093
  106    H    GLU  13           HN       GLU  13   2.302 -13.450   5.128
  107    HA   GLU  13           HA       GLU  13  -0.078 -14.951   5.690
  108   1HB   GLU  13           HB2      GLU  13   1.512 -12.984   7.379
  109   2HB   GLU  13           HB1      GLU  13   0.251 -14.030   8.015
  110   1HG   GLU  13           HG2      GLU  13   2.726 -15.012   6.568
  111   2HG   GLU  13           HG1      GLU  13   2.540 -14.986   8.322
  112    H    ALA  14           HN       ALA  14   0.532 -11.490   5.341
  113    HA   ALA  14           HA       ALA  14  -2.053 -10.666   6.289
  114   1HB   ALA  14           HB1      ALA  14   0.068  -9.230   5.944
  115   2HB   ALA  14           HB3      ALA  14  -0.418  -9.149   4.252
  116   3HB   ALA  14           HB2      ALA  14  -1.479  -8.506   5.506
  117    H    LEU  15           HN       LEU  15  -0.766 -11.398   3.052
  118    HA   LEU  15           HA       LEU  15  -3.100 -10.683   1.588
  119   1HB   LEU  15           HB2      LEU  15  -0.959 -12.762   1.077
  120   2HB   LEU  15           HB1      LEU  15  -2.200 -12.347  -0.098
  121    HG   LEU  15           HG       LEU  15  -0.365 -10.290   1.153
  122   1HD1  LEU  15          HD12      LEU  15   0.026 -12.042  -1.267
  123   2HD1  LEU  15          HD11      LEU  15   0.726 -10.426  -1.223
  124   3HD1  LEU  15          HD13      LEU  15   1.180 -11.615  -0.004
  125   1HD2  LEU  15          HD22      LEU  15  -2.387 -10.286  -1.089
  126   2HD2  LEU  15          HD21      LEU  15  -2.156  -9.111   0.206
  127   3HD2  LEU  15          HD23      LEU  15  -1.029  -9.164  -1.146
  128    H    ASP  16           HN       ASP  16  -2.120 -13.691   3.154
  129    HA   ASP  16           HA       ASP  16  -4.394 -15.201   2.283
  130   1HB   ASP  16           HB2      ASP  16  -2.240 -16.175   3.131
  131   2HB   ASP  16           HB1      ASP  16  -2.726 -15.692   4.761
  132    H    ALA  17           HN       ALA  17  -3.780 -13.166   5.101
  133    HA   ALA  17           HA       ALA  17  -6.107 -13.987   6.570
  134   1HB   ALA  17           HB2      ALA  17  -4.126 -12.800   7.543
  135   2HB   ALA  17           HB1      ALA  17  -4.663 -11.328   6.733
  136   3HB   ALA  17           HB3      ALA  17  -5.668 -12.067   7.982
  137    H    ALA  18           HN       ALA  18  -5.534 -11.385   4.249
  138    HA   ALA  18           HA       ALA  18  -8.034 -10.043   4.508
  139   1HB   ALA  18           HB2      ALA  18  -6.259 -10.425   2.085
  140   2HB   ALA  18           HB1      ALA  18  -7.552  -9.232   2.206
  141   3HB   ALA  18           HB3      ALA  18  -6.140  -9.115   3.259
  142    H    GLY  19           HN       GLY  19  -7.081 -12.918   2.683
  143   1HA   GLY  19           HA2      GLY  19  -8.420 -14.558   1.671
  144   2HA   GLY  19           HA1      GLY  19  -9.799 -13.856   2.521
  145    H    ASP  20           HN       ASP  20 -11.342 -13.236   1.077
  146    HA   ASP  20           HA       ASP  20 -10.561 -12.500  -1.676
  147   1HB   ASP  20           HB2      ASP  20 -13.307 -12.762  -0.420
  148   2HB   ASP  20           HB1      ASP  20 -12.962 -12.569  -2.140
  149    H    LYS  21           HN       LYS  21 -10.859 -10.825   1.175
  150    HA   LYS  21           HA       LYS  21 -12.319  -8.494   0.219
  151   1HB   LYS  21           HB2      LYS  21 -10.408  -8.851   2.554
  152   2HB   LYS  21           HB1      LYS  21 -11.409  -7.426   2.277
  153   1HG   LYS  21           HG2      LYS  21 -13.440  -8.866   2.371
  154   2HG   LYS  21           HG1      LYS  21 -12.415 -10.255   2.715
  155   1HD   LYS  21           HD2      LYS  21 -13.179  -9.527   4.848
  156   2HD   LYS  21           HD1      LYS  21 -11.528  -8.925   4.724
  157   1HE   LYS  21           HE2      LYS  21 -12.253  -6.702   4.295
  158   2HE   LYS  21           HE1      LYS  21 -13.896  -7.218   3.921
  159   1HZ   LYS  21           HZ1      LYS  21 -12.930  -7.922   6.565
  160   2HZ   LYS  21           HZ3      LYS  21 -13.138  -6.261   6.289
  161   3HZ   LYS  21           HZ2      LYS  21 -14.447  -7.325   6.082
  162    H    LEU  22           HN       LEU  22 -11.355  -6.466  -0.443
  163    HA   LEU  22           HA       LEU  22  -9.072  -6.677  -2.108
  164   1HB   LEU  22           HB2      LEU  22 -10.687  -4.415  -1.007
  165   2HB   LEU  22           HB1      LEU  22  -9.102  -4.000  -1.630
  166    HG   LEU  22           HG       LEU  22 -11.228  -5.492  -3.177
  167   1HD1  LEU  22          HD12      LEU  22 -10.241  -2.623  -3.286
  168   2HD1  LEU  22          HD11      LEU  22 -11.368  -3.344  -4.430
  169   3HD1  LEU  22          HD13      LEU  22 -11.832  -3.157  -2.742
  170   1HD2  LEU  22          HD23      LEU  22  -8.338  -4.898  -3.645
  171   2HD2  LEU  22          HD22      LEU  22  -9.363  -6.139  -4.367
  172   3HD2  LEU  22          HD21      LEU  22  -9.403  -4.496  -4.989
  173    H    VAL  23           HN       VAL  23  -6.996  -5.590  -1.881
  174    HA   VAL  23           HA       VAL  23  -6.061  -5.015   0.856
  175    HB   VAL  23           HB       VAL  23  -4.729  -7.100  -0.905
  176   1HG1  VAL  23          HG12      VAL  23  -4.004  -5.811   1.734
  177   2HG1  VAL  23          HG11      VAL  23  -3.329  -7.360   1.234
  178   3HG1  VAL  23          HG13      VAL  23  -3.030  -5.916   0.268
  179   1HG2  VAL  23          HG21      VAL  23  -6.334  -7.294   1.652
  180   2HG2  VAL  23          HG23      VAL  23  -6.640  -8.112   0.121
  181   3HG2  VAL  23          HG22      VAL  23  -5.248  -8.572   1.104
  182    H    VAL  24           HN       VAL  24  -5.222  -3.009   0.496
  183    HA   VAL  24           HA       VAL  24  -3.768  -2.502  -2.071
  184    HB   VAL  24           HB       VAL  24  -4.808  -0.536  -0.001
  185   1HG1  VAL  24          HG12      VAL  24  -2.819   0.212  -1.369
  186   2HG1  VAL  24          HG11      VAL  24  -3.785  -0.056  -2.819
  187   3HG1  VAL  24          HG13      VAL  24  -4.270   1.171  -1.648
  188   1HG2  VAL  24          HG22      VAL  24  -5.913  -1.516  -2.635
  189   2HG2  VAL  24          HG21      VAL  24  -6.704  -1.514  -1.061
  190   3HG2  VAL  24          HG23      VAL  24  -6.425   0.007  -1.910
  191    H    VAL  25           HN       VAL  25  -1.575  -1.807  -1.968
  192    HA   VAL  25           HA       VAL  25  -0.312  -1.933   0.765
  193    HB   VAL  25           HB       VAL  25   0.880  -2.907  -1.845
  194   1HG1  VAL  25          HG11      VAL  25   2.434  -2.165   0.019
  195   2HG1  VAL  25          HG13      VAL  25   1.725  -3.442   1.008
  196   3HG1  VAL  25          HG12      VAL  25   2.606  -3.850  -0.464
  197   1HG2  VAL  25          HG22      VAL  25  -1.120  -4.232  -1.064
  198   2HG2  VAL  25          HG21      VAL  25   0.380  -5.153  -1.086
  199   3HG2  VAL  25          HG23      VAL  25  -0.258  -4.541   0.441
  200    H    ASP  26           HN       ASP  26   0.670  -0.067   1.296
  201    HA   ASP  26           HA       ASP  26   1.436   1.842  -0.881
  202   1HB   ASP  26           HB2      ASP  26  -0.004   2.570   1.080
  203   2HB   ASP  26           HB1      ASP  26   1.402   2.325   2.112
  204    H    PHE  27           HN       PHE  27   3.549   1.744  -1.501
  205    HA   PHE  27           HA       PHE  27   5.619   0.679   0.352
  206   1HB   PHE  27           HB2      PHE  27   5.602   1.312  -2.605
  207   2HB   PHE  27           HB1      PHE  27   7.084   0.902  -1.737
  208    HD1  PHE  27           HD1      PHE  27   7.256  -1.325  -0.562
  209    HD2  PHE  27           HD2      PHE  27   4.036  -0.371  -3.244
  210    HE1  PHE  27           HE1      PHE  27   6.734  -3.740  -0.798
  211    HE2  PHE  27           HE2      PHE  27   3.515  -2.784  -3.461
  212    HZ   PHE  27           HZ       PHE  27   4.860  -4.466  -2.245
  213    H    SER  28           HN       SER  28   4.381   3.434   0.631
  214    HA   SER  28           HA       SER  28   6.224   5.401  -0.267
  215   1HB   SER  28           HB2      SER  28   4.569   5.428   2.274
  216   2HB   SER  28           HB1      SER  28   5.318   6.831   1.523
  217    HG   SER  28           HG       SER  28   3.071   5.392   0.781
  218    H    ALA  29           HN       ALA  29   8.065   6.302   0.651
  219    HA   ALA  29           HA       ALA  29   9.515   4.562   2.529
  220   1HB   ALA  29           HB3      ALA  29  10.203   6.927   0.807
  221   2HB   ALA  29           HB2      ALA  29  11.254   6.552   2.173
  222   3HB   ALA  29           HB1      ALA  29  10.992   5.355   0.901
  223    H    THR  30           HN       THR  30   9.493   4.911   4.710
  224    HA   THR  30           HA       THR  30   7.964   7.058   5.840
  225    HB   THR  30           HB       THR  30   8.293   4.957   7.061
  226    HG1  THR  30           HG1      THR  30   9.677   6.979   8.463
  227   1HG2  THR  30          HG23      THR  30  10.634   4.565   6.207
  228   2HG2  THR  30          HG22      THR  30  11.198   5.762   7.372
  229   3HG2  THR  30          HG21      THR  30  10.433   4.274   7.934
  230    H    TRP  31           HN       TRP  31  11.393   6.639   5.101
  231    HA   TRP  31           HA       TRP  31  12.242   8.999   6.567
  232   1HB   TRP  31           HB2      TRP  31  14.340   8.761   5.363
  233   2HB   TRP  31           HB1      TRP  31  13.795   7.187   5.939
  234    HD1  TRP  31           HD1      TRP  31  13.289   5.373   4.214
  235    HE1  TRP  31           HE1      TRP  31  13.526   5.207   1.655
  236    HE3  TRP  31           HE3      TRP  31  13.988  10.295   3.075
  237    HZ2  TRP  31           HZ2      TRP  31  13.925   6.927  -0.576
  238    HZ3  TRP  31           HZ3      TRP  31  14.273  11.003   0.715
  239    HH2  TRP  31           HH2      TRP  31  14.241   9.326  -1.109
  240    H    CYS  32           HN       CYS  32  10.814   8.518   3.405
  241    HA   CYS  32           HA       CYS  32  11.740  11.112   2.397
  242   1HB   CYS  32           HB2      CYS  32  11.194   9.095   0.929
  243   2HB   CYS  32           HB1      CYS  32   9.500   9.398   1.285
  244    H    GLY  33           HN       GLY  33  10.846  12.991   2.929
  245   1HA   GLY  33           HA2      GLY  33   8.676  13.255   4.731
  246   2HA   GLY  33           HA1      GLY  33   9.357  14.567   3.781
  247    HA   PRO  34           HA       PRO  34   5.865  14.720   1.122
  248   1HB   PRO  34           HB2      PRO  34   6.708  13.704  -1.391
  249   2HB   PRO  34           HB1      PRO  34   6.774  15.387  -0.853
  250   1HG   PRO  34           HG2      PRO  34   8.965  13.419  -1.090
  251   2HG   PRO  34           HG1      PRO  34   9.047  15.186  -1.033
  252   1HD   PRO  34           HD2      PRO  34   9.783  13.472   1.057
  253   2HD   PRO  34           HD1      PRO  34   9.415  15.199   1.249
  254    H    ALA  35           HN       ALA  35   7.474  11.566   0.961
  255    HA   ALA  35           HA       ALA  35   5.079  10.209  -0.002
  256   1HB   ALA  35           HB2      ALA  35   7.626   9.491  -0.118
  257   2HB   ALA  35           HB1      ALA  35   7.272   8.746   1.439
  258   3HB   ALA  35           HB3      ALA  35   6.361   8.272   0.005
  259    H    LYS  36           HN       LYS  36   6.784  10.200   3.162
  260    HA   LYS  36           HA       LYS  36   4.764   8.750   4.559
  261   1HB   LYS  36           HB2      LYS  36   7.088   9.244   5.417
  262   2HB   LYS  36           HB1      LYS  36   6.548  10.892   5.733
  263   1HG   LYS  36           HG2      LYS  36   4.710   9.959   7.170
  264   2HG   LYS  36           HG1      LYS  36   5.395   8.355   6.928
  265   1HD   LYS  36           HD2      LYS  36   6.296   9.101   9.006
  266   2HD   LYS  36           HD1      LYS  36   7.595   9.302   7.834
  267   1HE   LYS  36           HE2      LYS  36   7.314  11.655   7.753
  268   2HE   LYS  36           HE1      LYS  36   5.711  11.577   8.488
  269   1HZ   LYS  36           HZ1      LYS  36   7.946  10.497  10.022
  270   2HZ   LYS  36           HZ3      LYS  36   7.870  12.184   9.861
  271   3HZ   LYS  36           HZ2      LYS  36   6.569  11.338  10.552
  272    H    MET  37           HN       MET  37   5.192  12.206   3.963
  273    HA   MET  37           HA       MET  37   3.136  13.184   5.653
  274   1HB   MET  37           HB2      MET  37   4.879  14.559   4.457
  275   2HB   MET  37           HB1      MET  37   3.947  14.356   2.977
  276   1HG   MET  37           HG2      MET  37   2.690  15.459   5.496
  277   2HG   MET  37           HG1      MET  37   3.528  16.503   4.350
  278   1HE   MET  37           HE3      MET  37   0.888  17.110   5.178
  279   2HE   MET  37           HE2      MET  37   1.294  17.980   3.700
  280   3HE   MET  37           HE1      MET  37  -0.264  17.167   3.835
  281    H    ILE  38           HN       ILE  38   2.987  11.677   2.510
  282    HA   ILE  38           HA       ILE  38   0.210  12.436   2.024
  283    HB   ILE  38           HB       ILE  38   2.076  10.476   0.662
  284   1HG1  ILE  38          HG12      ILE  38   0.902  13.034  -0.432
  285   2HG1  ILE  38          HG11      ILE  38   2.373  13.049   0.531
  286   1HG2  ILE  38          HG21      ILE  38  -0.835  11.096   0.189
  287   2HG2  ILE  38          HG23      ILE  38   0.202  10.693  -1.179
  288   3HG2  ILE  38          HG22      ILE  38  -0.006   9.540   0.137
  289   1HD1  ILE  38          HD12      ILE  38   3.364  11.386  -1.054
  290   2HD1  ILE  38          HD11      ILE  38   1.923  11.548  -2.057
  291   3HD1  ILE  38          HD13      ILE  38   2.984  12.934  -1.799
  292    H    LYS  39           HN       LYS  39   1.597  10.216   4.126
  293    HA   LYS  39           HA       LYS  39  -0.070   7.972   3.619
  294   1HB   LYS  39           HB2      LYS  39   0.646   6.998   5.607
  295   2HB   LYS  39           HB1      LYS  39   2.011   7.981   5.107
  296   1HG   LYS  39           HG2      LYS  39   1.326   9.743   6.704
  297   2HG   LYS  39           HG1      LYS  39  -0.042   8.774   7.214
  298   1HD   LYS  39           HD2      LYS  39   2.900   8.255   7.657
  299   2HD   LYS  39           HD1      LYS  39   1.625   8.442   8.857
  300   1HE   LYS  39           HE2      LYS  39   0.594   6.308   7.824
  301   2HE   LYS  39           HE1      LYS  39   2.170   6.085   7.058
  302   1HZ   LYS  39           HZ3      LYS  39   2.237   6.714   9.883
  303   2HZ   LYS  39           HZ2      LYS  39   1.567   5.202   9.502
  304   3HZ   LYS  39           HZ1      LYS  39   3.146   5.587   9.003
  305    HA   PRO  40           HA       PRO  40  -2.980   9.903   7.083
  306   1HB   PRO  40           HB2      PRO  40  -3.510  12.462   5.644
  307   2HB   PRO  40           HB1      PRO  40  -3.348  12.158   7.385
  308   1HG   PRO  40           HG2      PRO  40  -1.419  13.423   6.017
  309   2HG   PRO  40           HG1      PRO  40  -1.027  12.302   7.330
  310   1HD   PRO  40           HD2      PRO  40  -0.859  11.879   4.379
  311   2HD   PRO  40           HD1      PRO  40   0.234  11.281   5.641
  312    H    PHE  41           HN       PHE  41  -3.295  10.728   3.594
  313    HA   PHE  41           HA       PHE  41  -6.148  10.225   3.542
  314   1HB   PHE  41           HB2      PHE  41  -4.037  10.174   1.361
  315   2HB   PHE  41           HB1      PHE  41  -5.759   9.973   1.068
  316    HD1  PHE  41           HD2      PHE  41  -3.306  12.290   2.657
  317    HD2  PHE  41           HD1      PHE  41  -7.141  11.833   0.781
  318    HE1  PHE  41           HE2      PHE  41  -3.603  14.755   2.669
  319    HE2  PHE  41           HE1      PHE  41  -7.443  14.294   0.797
  320    HZ   PHE  41           HZ       PHE  41  -5.673  15.756   1.737
  321    H    PHE  42           HN       PHE  42  -3.284   8.284   2.728
  322    HA   PHE  42           HA       PHE  42  -4.674   5.917   1.939
  323   1HB   PHE  42           HB2      PHE  42  -2.292   6.292   1.471
  324   2HB   PHE  42           HB1      PHE  42  -1.930   6.275   3.200
  325    HD1  PHE  42           HD1      PHE  42  -3.289   4.207   0.409
  326    HD2  PHE  42           HD2      PHE  42  -1.604   4.240   4.360
  327    HE1  PHE  42           HE1      PHE  42  -3.135   1.734   0.365
  328    HE2  PHE  42           HE2      PHE  42  -1.444   1.769   4.312
  329    HZ   PHE  42           HZ       PHE  42  -2.212   0.512   2.316
  330    H    HIS  43           HN       HIS  43  -3.191   6.789   5.050
  331    HA   HIS  43           HA       HIS  43  -4.199   4.511   6.477
  332   1HB   HIS  43           HB2      HIS  43  -2.227   5.798   7.207
  333   2HB   HIS  43           HB1      HIS  43  -3.239   7.215   7.478
  334    HD1  HIS  43           HD1      HIS  43  -2.285   3.933   8.963
  335    HD2  HIS  43           HD2      HIS  43  -4.987   7.001   9.743
  336    HE1  HIS  43           HE1      HIS  43  -3.266   3.455  11.248
  337    H    SER  44           HN       SER  44  -5.415   7.854   6.109
  338    HA   SER  44           HA       SER  44  -7.534   7.648   8.005
  339   1HB   SER  44           HB2      SER  44  -7.372   9.389   5.532
  340   2HB   SER  44           HB1      SER  44  -8.577   9.553   6.801
  341    HG   SER  44           HG       SER  44  -7.043  10.186   8.203
  342    H    LEU  45           HN       LEU  45  -7.465   6.854   4.531
  343    HA   LEU  45           HA       LEU  45 -10.269   6.374   4.244
  344   1HB   LEU  45           HB2      LEU  45  -7.911   5.194   2.764
  345   2HB   LEU  45           HB1      LEU  45  -9.581   4.950   2.287
  346    HG   LEU  45           HG       LEU  45  -8.512   7.744   2.696
  347   1HD1  LEU  45          HD13      LEU  45  -7.005   6.552   1.096
  348   2HD1  LEU  45          HD12      LEU  45  -8.412   6.185   0.095
  349   3HD1  LEU  45          HD11      LEU  45  -7.913   7.860   0.339
  350   1HD2  LEU  45          HD21      LEU  45 -10.816   6.506   1.173
  351   2HD2  LEU  45          HD23      LEU  45 -10.868   7.722   2.449
  352   3HD2  LEU  45          HD22      LEU  45 -10.261   8.145   0.853
  353    H    SER  46           HN       SER  46  -7.811   4.500   5.815
  354    HA   SER  46           HA       SER  46  -8.830   1.896   5.489
  355   1HB   SER  46           HB2      SER  46  -7.626   3.093   8.006
  356   2HB   SER  46           HB1      SER  46  -7.786   1.374   7.661
  357    HG   SER  46           HG       SER  46  -6.538   3.004   5.765
  358    H    GLU  47           HN       GLU  47  -9.872   4.491   7.661
  359    HA   GLU  47           HA       GLU  47 -11.954   2.779   8.842
  360   1HB   GLU  47           HB2      GLU  47 -11.364   5.752   9.099
  361   2HB   GLU  47           HB1      GLU  47 -12.649   4.922   9.976
  362   1HG   GLU  47           HG2      GLU  47  -9.707   4.186  10.128
  363   2HG   GLU  47           HG1      GLU  47 -10.569   5.145  11.332
  364    H    LYS  48           HN       LYS  48 -11.658   4.816   6.040
  365    HA   LYS  48           HA       LYS  48 -14.524   5.416   5.893
  366   1HB   LYS  48           HB2      LYS  48 -12.809   6.858   4.764
  367   2HB   LYS  48           HB1      LYS  48 -12.465   5.522   3.664
  368   1HG   LYS  48           HG2      LYS  48 -14.869   5.505   2.983
  369   2HG   LYS  48           HG1      LYS  48 -15.143   6.910   4.008
  370   1HD   LYS  48           HD2      LYS  48 -13.031   6.920   1.850
  371   2HD   LYS  48           HD1      LYS  48 -14.707   7.326   1.493
  372   1HE   LYS  48           HE2      LYS  48 -14.579   9.058   3.348
  373   2HE   LYS  48           HE1      LYS  48 -12.845   8.747   3.412
  374   1HZ   LYS  48           HZ1      LYS  48 -12.715   9.304   1.049
  375   2HZ   LYS  48           HZ3      LYS  48 -14.373   9.665   1.039
  376   3HZ   LYS  48           HZ2      LYS  48 -13.306  10.602   1.972
  377    H    TYR  49           HN       TYR  49 -12.265   3.048   4.662
  378    HA   TYR  49           HA       TYR  49 -14.576   1.394   3.670
  379   1HB   TYR  49           HB2      TYR  49 -11.737   1.535   2.577
  380   2HB   TYR  49           HB1      TYR  49 -12.978   0.405   2.035
  381    HD1  TYR  49           HD2      TYR  49 -15.264   1.472   1.329
  382    HD2  TYR  49           HD1      TYR  49 -11.541   3.606   1.481
  383    HE1  TYR  49           HE2      TYR  49 -16.182   3.184  -0.212
  384    HE2  TYR  49           HE1      TYR  49 -12.458   5.318  -0.053
  385    HH   TYR  49           HH       TYR  49 -15.719   5.628  -0.724
  386    H    SER  50           HN       SER  50 -14.370   0.928   6.080
  387    HA   SER  50           HA       SER  50 -12.141  -0.554   7.089
  388   1HB   SER  50           HB2      SER  50 -13.573  -1.034   8.962
  389   2HB   SER  50           HB1      SER  50 -13.933   0.602   8.444
  390    HG   SER  50           HG       SER  50 -15.708  -0.228   7.287
  391    H    ASN  51           HN       ASN  51 -14.469  -1.297   4.792
  392    HA   ASN  51           HA       ASN  51 -14.504  -4.204   5.321
  393   1HB   ASN  51           HB2      ASN  51 -16.508  -2.900   4.398
  394   2HB   ASN  51           HB1      ASN  51 -15.590  -2.739   2.903
  395   1HD2  ASN  51          HD22      ASN  51 -16.493  -5.949   1.793
  396   2HD2  ASN  51          HD21      ASN  51 -15.922  -4.396   1.410
  397    H    VAL  52           HN       VAL  52 -12.245  -2.174   4.242
  398    HA   VAL  52           HA       VAL  52 -11.143  -4.120   2.259
  399    HB   VAL  52           HB       VAL  52 -10.968  -1.089   2.201
  400   1HG1  VAL  52          HG13      VAL  52  -9.530  -3.238   0.645
  401   2HG1  VAL  52          HG12      VAL  52  -9.745  -1.615  -0.009
  402   3HG1  VAL  52          HG11      VAL  52  -8.841  -1.850   1.486
  403   1HG2  VAL  52          HG22      VAL  52 -12.294  -3.153   0.427
  404   2HG2  VAL  52          HG21      VAL  52 -13.063  -1.817   1.284
  405   3HG2  VAL  52          HG23      VAL  52 -12.010  -1.492  -0.091
  406    H    ILE  53           HN       ILE  53  -8.860  -4.515   2.521
  407    HA   ILE  53           HA       ILE  53  -7.824  -3.615   5.185
  408    HB   ILE  53           HB       ILE  53  -6.639  -5.710   3.342
  409   1HG1  ILE  53          HG12      ILE  53  -8.890  -6.471   3.815
  410   2HG1  ILE  53          HG11      ILE  53  -7.798  -7.359   4.873
  411   1HG2  ILE  53          HG22      ILE  53  -5.308  -4.676   5.264
  412   2HG2  ILE  53          HG21      ILE  53  -6.468  -5.431   6.350
  413   3HG2  ILE  53          HG23      ILE  53  -5.467  -6.431   5.296
  414   1HD1  ILE  53          HD12      ILE  53  -8.308  -5.425   6.578
  415   2HD1  ILE  53          HD11      ILE  53  -9.729  -5.165   5.567
  416   3HD1  ILE  53          HD13      ILE  53  -9.482  -6.721   6.355
  417    H    PHE  54           HN       PHE  54  -6.320  -2.002   5.232
  418    HA   PHE  54           HA       PHE  54  -4.796  -1.346   2.723
  419   1HB   PHE  54           HB2      PHE  54  -5.376   0.273   5.225
  420   2HB   PHE  54           HB1      PHE  54  -4.329   0.822   3.923
  421    HD1  PHE  54           HD1      PHE  54  -7.816  -0.369   4.616
  422    HD2  PHE  54           HD2      PHE  54  -5.247   1.929   2.050
  423    HE1  PHE  54           HE1      PHE  54  -9.799   0.531   3.425
  424    HE2  PHE  54           HE2      PHE  54  -7.233   2.810   0.850
  425    HZ   PHE  54           HZ       PHE  54  -9.505   2.109   1.540
  426    H    LEU  55           HN       LEU  55  -2.627  -1.901   2.723
  427    HA   LEU  55           HA       LEU  55  -1.288  -2.432   5.358
  428   1HB   LEU  55           HB2      LEU  55  -0.769  -3.597   2.612
  429   2HB   LEU  55           HB1      LEU  55   0.429  -3.696   3.901
  430    HG   LEU  55           HG       LEU  55  -0.959  -5.074   5.235
  431   1HD1  LEU  55          HD11      LEU  55  -3.216  -4.169   3.454
  432   2HD1  LEU  55          HD13      LEU  55  -3.347  -5.594   4.482
  433   3HD1  LEU  55          HD12      LEU  55  -3.060  -4.019   5.209
  434   1HD2  LEU  55          HD23      LEU  55  -1.383  -5.839   2.334
  435   2HD2  LEU  55          HD22      LEU  55  -0.033  -6.315   3.366
  436   3HD2  LEU  55          HD21      LEU  55  -1.657  -6.919   3.703
  437    H    GLU  56           HN       GLU  56   0.610  -1.418   5.822
  438    HA   GLU  56           HA       GLU  56   1.558   0.660   3.874
  439   1HB   GLU  56           HB2      GLU  56   0.688   1.472   6.132
  440   2HB   GLU  56           HB1      GLU  56   2.035   0.604   6.872
  441   1HG   GLU  56           HG2      GLU  56   3.558   1.905   5.265
  442   2HG   GLU  56           HG1      GLU  56   2.157   2.932   4.944
  443    H    VAL  57           HN       VAL  57   3.630   0.358   3.139
  444    HA   VAL  57           HA       VAL  57   5.325  -1.691   4.549
  445    HB   VAL  57           HB       VAL  57   5.112  -1.228   1.561
  446   1HG1  VAL  57          HG13      VAL  57   6.561  -3.313   3.213
  447   2HG1  VAL  57          HG12      VAL  57   6.452  -3.307   1.456
  448   3HG1  VAL  57          HG11      VAL  57   7.319  -2.017   2.285
  449   1HG2  VAL  57          HG23      VAL  57   4.059  -3.477   3.295
  450   2HG2  VAL  57          HG22      VAL  57   3.077  -2.260   2.486
  451   3HG2  VAL  57          HG21      VAL  57   4.001  -3.426   1.537
  452    H    ASP  58           HN       ASP  58   7.431  -1.115   4.883
  453    HA   ASP  58           HA       ASP  58   8.281   1.620   4.017
  454   1HB   ASP  58           HB2      ASP  58   8.385   0.872   6.457
  455   2HB   ASP  58           HB1      ASP  58   9.646  -0.261   5.952
  456    H    VAL  59           HN       VAL  59   9.552   1.653   2.183
  457    HA   VAL  59           HA       VAL  59  10.651  -0.791   1.087
  458    HB   VAL  59           HB       VAL  59  11.836   0.705  -0.490
  459   1HG1  VAL  59          HG11      VAL  59   8.958   1.437   0.115
  460   2HG1  VAL  59          HG13      VAL  59   9.796   1.880  -1.372
  461   3HG1  VAL  59          HG12      VAL  59   9.521   0.182  -0.987
  462   1HG2  VAL  59          HG23      VAL  59  10.824   2.859   1.382
  463   2HG2  VAL  59          HG22      VAL  59  12.500   2.496   0.967
  464   3HG2  VAL  59          HG21      VAL  59  11.419   3.183  -0.247
  465    H    ASP  60           HN       ASP  60  11.696   1.453   3.489
  466    HA   ASP  60           HA       ASP  60  14.542   0.664   3.239
  467   1HB   ASP  60           HB2      ASP  60  13.002   2.683   4.850
  468   2HB   ASP  60           HB1      ASP  60  14.647   2.268   5.296
  469    H    ASP  61           HN       ASP  61  11.888   0.245   5.629
  470    HA   ASP  61           HA       ASP  61  13.709  -1.529   7.212
  471   1HB   ASP  61           HB2      ASP  61  10.878  -0.606   7.818
  472   2HB   ASP  61           HB1      ASP  61  11.922  -1.532   8.892
  473    H    ALA  62           HN       ALA  62  11.203  -1.582   4.893
  474    HA   ALA  62           HA       ALA  62  10.887  -4.541   5.235
  475   1HB   ALA  62           HB1      ALA  62   8.848  -2.785   5.512
  476   2HB   ALA  62           HB3      ALA  62   8.802  -2.981   3.762
  477   3HB   ALA  62           HB2      ALA  62   8.618  -4.387   4.809
  478    H    GLN  63           HN       GLN  63  12.984  -3.265   3.824
  479    HA   GLN  63           HA       GLN  63  12.492  -2.885   1.060
  480   1HB   GLN  63           HB2      GLN  63  14.885  -3.117   0.757
  481   2HB   GLN  63           HB1      GLN  63  14.614  -2.276   2.280
  482   1HG   GLN  63           HG2      GLN  63  14.774  -4.540   3.425
  483   2HG   GLN  63           HG1      GLN  63  15.354  -5.176   1.885
  484   1HE2  GLN  63          HE22      GLN  63  17.978  -3.366   4.282
  485   2HE2  GLN  63          HE21      GLN  63  16.470  -3.960   4.789
  486    H    ASP  64           HN       ASP  64  12.690  -5.843   2.919
  487    HA   ASP  64           HA       ASP  64  13.338  -7.597   0.752
  488   1HB   ASP  64           HB2      ASP  64  12.205  -9.354   2.179
  489   2HB   ASP  64           HB1      ASP  64  13.477  -8.456   2.995
  490    H    VAL  65           HN       VAL  65  10.285  -6.277   1.952
  491    HA   VAL  65           HA       VAL  65   8.580  -7.830   0.216
  492    HB   VAL  65           HB       VAL  65   8.004  -5.063   1.323
  493   1HG1  VAL  65          HG13      VAL  65   6.411  -6.071  -0.298
  494   2HG1  VAL  65          HG12      VAL  65   6.211  -7.444   0.793
  495   3HG1  VAL  65          HG11      VAL  65   5.702  -5.831   1.298
  496   1HG2  VAL  65          HG21      VAL  65   8.115  -7.719   2.728
  497   2HG2  VAL  65          HG23      VAL  65   8.696  -6.151   3.273
  498   3HG2  VAL  65          HG22      VAL  65   6.968  -6.493   3.255
  499    H    ALA  66           HN       ALA  66   9.946  -4.555   0.055
  500    HA   ALA  66           HA       ALA  66   8.712  -3.902  -2.454
  501   1HB   ALA  66           HB2      ALA  66   9.786  -2.386  -0.572
  502   2HB   ALA  66           HB1      ALA  66  11.238  -2.558  -1.557
  503   3HB   ALA  66           HB3      ALA  66   9.775  -1.856  -2.252
  504    H    SER  67           HN       SER  67  11.919  -5.184  -1.592
  505    HA   SER  67           HA       SER  67  13.081  -4.994  -4.190
  506   1HB   SER  67           HB2      SER  67  14.640  -6.705  -3.434
  507   2HB   SER  67           HB1      SER  67  14.318  -5.610  -2.093
  508    HG   SER  67           HG       SER  67  13.308  -8.210  -2.565
  509    H    GLU  68           HN       GLU  68  10.862  -7.318  -2.767
  510    HA   GLU  68           HA       GLU  68  11.051  -9.344  -4.774
  511   1HB   GLU  68           HB2      GLU  68   9.885  -9.623  -2.577
  512   2HB   GLU  68           HB1      GLU  68   8.615  -8.541  -3.146
  513   1HG   GLU  68           HG2      GLU  68   8.261 -10.122  -5.089
  514   2HG   GLU  68           HG1      GLU  68   9.375 -11.237  -4.299
  515    H    ALA  69           HN       ALA  69   9.122  -6.381  -4.529
  516    HA   ALA  69           HA       ALA  69   7.826  -6.911  -7.125
  517   1HB   ALA  69           HB2      ALA  69   6.563  -5.905  -5.217
  518   2HB   ALA  69           HB1      ALA  69   7.595  -4.480  -5.335
  519   3HB   ALA  69           HB3      ALA  69   6.530  -4.912  -6.673
  520    H    GLU  70           HN       GLU  70  10.793  -5.709  -6.277
  521    HA   GLU  70           HA       GLU  70  12.330  -4.311  -7.386
  522   1HB   GLU  70           HB2      GLU  70  10.508  -5.010  -9.709
  523   2HB   GLU  70           HB1      GLU  70  12.057  -4.192  -9.869
  524   1HG   GLU  70           HG2      GLU  70  12.475  -6.502 -10.267
  525   2HG   GLU  70           HG1      GLU  70  13.101  -6.151  -8.657
  526    H    VAL  71           HN       VAL  71  10.512  -2.799  -5.967
  527    HA   VAL  71           HA       VAL  71   9.014  -0.961  -7.574
  528    HB   VAL  71           HB       VAL  71  10.310  -0.406  -4.884
  529   1HG1  VAL  71          HG12      VAL  71   7.969   0.786  -6.400
  530   2HG1  VAL  71          HG11      VAL  71   8.285   1.109  -4.697
  531   3HG1  VAL  71          HG13      VAL  71   9.460   1.600  -5.922
  532   1HG2  VAL  71          HG22      VAL  71   7.667  -1.726  -5.610
  533   2HG2  VAL  71          HG21      VAL  71   8.996  -2.446  -4.703
  534   3HG2  VAL  71          HG23      VAL  71   8.052  -1.135  -3.994
  535    H    LYS  72           HN       LYS  72   9.684   0.799  -8.722
  536    HA   LYS  72           HA       LYS  72  12.586   1.433  -8.687
  537   1HB   LYS  72           HB2      LYS  72  10.464   2.058 -10.747
  538   2HB   LYS  72           HB1      LYS  72  12.174   2.445 -10.903
  539   1HG   LYS  72           HG2      LYS  72  11.220  -0.401 -10.434
  540   2HG   LYS  72           HG1      LYS  72  11.369   0.276 -12.055
  541   1HD   LYS  72           HD2      LYS  72  13.780   0.864 -11.463
  542   2HD   LYS  72           HD1      LYS  72  13.574  -0.121 -10.017
  543   1HE   LYS  72           HE2      LYS  72  12.952  -2.056 -11.434
  544   2HE   LYS  72           HE1      LYS  72  13.231  -1.071 -12.872
  545   1HZ   LYS  72           HZ1      LYS  72  15.260  -1.652 -10.785
  546   2HZ   LYS  72           HZ3      LYS  72  15.162  -2.432 -12.287
  547   3HZ   LYS  72           HZ2      LYS  72  15.516  -0.771 -12.215
  548    H    ALA  73           HN       ALA  73   9.620   2.699  -7.576
  549    HA   ALA  73           HA       ALA  73  10.982   5.131  -6.744
  550   1HB   ALA  73           HB3      ALA  73  10.205   5.467  -9.206
  551   2HB   ALA  73           HB2      ALA  73   8.603   5.657  -8.494
  552   3HB   ALA  73           HB1      ALA  73   9.913   6.745  -8.029
  553    H    THR  74           HN       THR  74   9.689   6.446  -5.282
  554    HA   THR  74           HA       THR  74   7.191   5.119  -4.281
  555    HB   THR  74           HB       THR  74   7.894   5.545  -1.987
  556    HG1  THR  74           HG1      THR  74  10.310   6.630  -2.869
  557   1HG2  THR  74          HG23      THR  74  10.171   4.434  -3.615
  558   2HG2  THR  74          HG22      THR  74  10.091   4.350  -1.861
  559   3HG2  THR  74          HG21      THR  74   8.880   3.520  -2.842
  560    HA   PRO  75           HA       PRO  75   5.772   5.802  -2.504
  561   1HB   PRO  75           HB2      PRO  75   3.208   6.807  -2.605
  562   2HB   PRO  75           HB1      PRO  75   4.415   7.287  -1.405
  563   1HG   PRO  75           HG2      PRO  75   3.456   8.771  -3.806
  564   2HG   PRO  75           HG1      PRO  75   4.049   9.397  -2.260
  565   1HD   PRO  75           HD2      PRO  75   5.532   9.317  -4.652
  566   2HD   PRO  75           HD1      PRO  75   6.228   9.508  -3.019
  567    H    THR  76           HN       THR  76   4.854   3.938  -3.221
  568    HA   THR  76           HA       THR  76   3.440   3.953  -5.863
  569    HB   THR  76           HB       THR  76   5.342   1.832  -4.835
  570    HG1  THR  76           HG1      THR  76   5.778   4.079  -6.099
  571   1HG2  THR  76          HG21      THR  76   3.812   2.033  -7.441
  572   2HG2  THR  76          HG23      THR  76   5.001   0.798  -7.035
  573   3HG2  THR  76          HG22      THR  76   3.481   0.881  -6.146
  574    H    PHE  77           HN       PHE  77   1.574   2.859  -5.863
  575    HA   PHE  77           HA       PHE  77   0.778   1.436  -3.343
  576   1HB   PHE  77           HB2      PHE  77  -0.960   2.893  -5.358
  577   2HB   PHE  77           HB1      PHE  77  -1.525   2.096  -3.889
  578    HD1  PHE  77           HD1      PHE  77  -0.996   3.042  -1.650
  579    HD2  PHE  77           HD2      PHE  77   0.227   4.999  -5.275
  580    HE1  PHE  77           HE1      PHE  77  -0.550   5.126  -0.377
  581    HE2  PHE  77           HE2      PHE  77   0.668   7.083  -4.005
  582    HZ   PHE  77           HZ       PHE  77   0.280   7.151  -1.553
  583    H    GLN  78           HN       GLN  78   0.248  -0.704  -3.613
  584    HA   GLN  78           HA       GLN  78  -0.264  -1.667  -6.414
  585   1HB   GLN  78           HB2      GLN  78   1.316  -2.994  -4.204
  586   2HB   GLN  78           HB1      GLN  78   0.808  -3.817  -5.681
  587   1HG   GLN  78           HG2      GLN  78   1.993  -2.052  -7.006
  588   2HG   GLN  78           HG1      GLN  78   2.600  -1.378  -5.494
  589   1HE2  GLN  78          HE22      GLN  78   5.361  -3.545  -6.326
  590   2HE2  GLN  78          HE21      GLN  78   4.779  -1.970  -6.572
  591    H    PHE  79           HN       PHE  79  -1.864  -3.148  -6.654
  592    HA   PHE  79           HA       PHE  79  -3.642  -3.532  -4.274
  593   1HB   PHE  79           HB2      PHE  79  -4.230  -3.553  -7.245
  594   2HB   PHE  79           HB1      PHE  79  -5.418  -3.897  -5.984
  595    HD1  PHE  79           HD2      PHE  79  -2.990  -1.320  -7.167
  596    HD2  PHE  79           HD1      PHE  79  -6.488  -2.134  -4.815
  597    HE1  PHE  79           HE2      PHE  79  -3.297   1.107  -6.785
  598    HE2  PHE  79           HE1      PHE  79  -6.794   0.293  -4.429
  599    HZ   PHE  79           HZ       PHE  79  -5.201   1.916  -5.416
  600    H    PHE  80           HN       PHE  80  -4.047  -5.501  -3.549
  601    HA   PHE  80           HA       PHE  80  -3.331  -7.861  -5.225
  602   1HB   PHE  80           HB2      PHE  80  -2.818  -7.418  -2.284
  603   2HB   PHE  80           HB1      PHE  80  -2.755  -9.007  -3.044
  604    HD1  PHE  80           HD2      PHE  80  -1.179  -5.656  -2.895
  605    HD2  PHE  80           HD1      PHE  80  -0.957  -9.630  -4.525
  606    HE1  PHE  80           HE2      PHE  80   1.154  -5.239  -3.608
  607    HE2  PHE  80           HE1      PHE  80   1.381  -9.203  -5.241
  608    HZ   PHE  80           HZ       PHE  80   2.435  -7.006  -4.779
  609    H    LYS  81           HN       LYS  81  -4.806  -9.563  -5.122
  610    HA   LYS  81           HA       LYS  81  -7.060  -9.370  -3.192
  611   1HB   LYS  81           HB2      LYS  81  -7.559  -8.117  -5.419
  612   2HB   LYS  81           HB1      LYS  81  -7.606  -9.720  -6.149
  613   1HG   LYS  81           HG2      LYS  81  -9.314 -10.390  -4.457
  614   2HG   LYS  81           HG1      LYS  81  -9.317  -8.733  -3.855
  615   1HD   LYS  81           HD2      LYS  81  -9.857  -8.006  -6.238
  616   2HD   LYS  81           HD1      LYS  81 -10.165  -9.710  -6.588
  617   1HE   LYS  81           HE2      LYS  81 -11.805  -9.767  -4.715
  618   2HE   LYS  81           HE1      LYS  81 -11.544  -8.042  -4.465
  619   1HZ   LYS  81           HZ3      LYS  81 -12.444  -9.207  -7.041
  620   2HZ   LYS  81           HZ2      LYS  81 -13.509  -8.614  -5.856
  621   3HZ   LYS  81           HZ1      LYS  81 -12.403  -7.566  -6.610
  622    H    LYS  82           HN       LYS  82  -7.446 -11.429  -2.468
  623    HA   LYS  82           HA       LYS  82  -7.320 -13.763  -2.318
  624   1HB   LYS  82           HB2      LYS  82  -7.399 -13.568  -5.358
  625   2HB   LYS  82           HB1      LYS  82  -7.562 -15.057  -4.438
  626   1HG   LYS  82           HG2      LYS  82  -9.504 -13.875  -3.217
  627   2HG   LYS  82           HG1      LYS  82  -9.451 -12.706  -4.536
  628   1HD   LYS  82           HD2      LYS  82  -9.612 -14.677  -6.135
  629   2HD   LYS  82           HD1      LYS  82  -9.959 -15.684  -4.731
  630   1HE   LYS  82           HE2      LYS  82 -12.074 -15.021  -5.687
  631   2HE   LYS  82           HE1      LYS  82 -11.867 -14.119  -4.189
  632   1HZ   LYS  82           HZ2      LYS  82 -11.140 -13.072  -6.866
  633   2HZ   LYS  82           HZ1      LYS  82 -12.619 -12.755  -6.092
  634   3HZ   LYS  82           HZ3      LYS  82 -11.169 -12.211  -5.401
  635    H    GLY  83           HN       GLY  83  -4.876 -12.068  -2.503
  636   1HA   GLY  83           HA2      GLY  83  -2.579 -12.558  -2.360
  637   2HA   GLY  83           HA1      GLY  83  -2.953 -14.233  -2.765
  638    H    GLN  84           HN       GLN  84  -4.227 -11.825  -4.883
  639    HA   GLN  84           HA       GLN  84  -2.048 -12.385  -6.855
  640   1HB   GLN  84           HB2      GLN  84  -5.036 -12.213  -7.283
  641   2HB   GLN  84           HB1      GLN  84  -3.875 -12.167  -8.605
  642   1HG   GLN  84           HG2      GLN  84  -3.934 -14.402  -6.567
  643   2HG   GLN  84           HG1      GLN  84  -4.851 -14.462  -8.074
  644   1HE2  GLN  84          HE22      GLN  84  -1.127 -13.872  -9.335
  645   2HE2  GLN  84          HE21      GLN  84  -2.150 -12.645  -8.751
  646    H    LYS  85           HN       LYS  85  -1.270 -10.665  -8.024
  647    HA   LYS  85           HA       LYS  85  -1.976  -7.956  -7.116
  648   1HB   LYS  85           HB2      LYS  85   0.371  -8.692  -7.694
  649   2HB   LYS  85           HB1      LYS  85  -0.140  -8.813  -9.378
  650   1HG   LYS  85           HG2      LYS  85  -0.802  -6.424  -9.332
  651   2HG   LYS  85           HG1      LYS  85  -0.215  -6.309  -7.673
  652   1HD   LYS  85           HD2      LYS  85   2.042  -6.995  -8.440
  653   2HD   LYS  85           HD1      LYS  85   1.449  -7.045 -10.100
  654   1HE   LYS  85           HE2      LYS  85   0.871  -4.653  -9.968
  655   2HE   LYS  85           HE1      LYS  85   1.475  -4.595  -8.311
  656   1HZ   LYS  85           HZ1      LYS  85   3.104  -5.388 -10.666
  657   2HZ   LYS  85           HZ3      LYS  85   3.106  -3.836  -9.980
  658   3HZ   LYS  85           HZ2      LYS  85   3.656  -5.164  -9.074
  659    H    VAL  86           HN       VAL  86  -3.592  -6.781  -8.046
  660    HA   VAL  86           HA       VAL  86  -4.385  -7.420 -10.870
  661    HB   VAL  86           HB       VAL  86  -6.695  -6.701 -10.191
  662   1HG1  VAL  86          HG11      VAL  86  -6.005  -9.085 -10.345
  663   2HG1  VAL  86          HG13      VAL  86  -5.543  -9.041  -8.645
  664   3HG1  VAL  86          HG12      VAL  86  -7.231  -8.827  -9.103
  665   1HG2  VAL  86          HG21      VAL  86  -5.909  -5.437  -8.153
  666   2HG2  VAL  86          HG23      VAL  86  -7.238  -6.551  -7.833
  667   3HG2  VAL  86          HG22      VAL  86  -5.591  -6.989  -7.375
  668    H    GLY  87           HN       GLY  87  -2.770  -5.111  -9.252
  669   1HA   GLY  87           HA2      GLY  87  -3.284  -3.115 -11.247
  670   2HA   GLY  87           HA1      GLY  87  -4.172  -2.692  -9.787
  671    H    GLU  88           HN       GLU  88  -2.092  -1.097 -10.847
  672    HA   GLU  88           HA       GLU  88  -0.422  -0.767  -8.517
  673   1HB   GLU  88           HB2      GLU  88   1.001  -2.469  -9.193
  674   2HB   GLU  88           HB1      GLU  88   0.609  -2.265 -10.892
  675   1HG   GLU  88           HG2      GLU  88   2.925  -1.645 -10.484
  676   2HG   GLU  88           HG1      GLU  88   2.030  -0.203 -10.927
  677    H    PHE  89           HN       PHE  89   0.646   1.252  -8.551
  678    HA   PHE  89           HA       PHE  89   1.007   2.779 -10.955
  679   1HB   PHE  89           HB2      PHE  89  -0.697   4.390 -10.855
  680   2HB   PHE  89           HB1      PHE  89  -1.535   2.871 -10.591
  681    HD1  PHE  89           HD1      PHE  89  -0.038   5.791  -8.821
  682    HD2  PHE  89           HD2      PHE  89  -2.818   2.529  -8.622
  683    HE1  PHE  89           HE1      PHE  89  -0.976   6.721  -6.718
  684    HE2  PHE  89           HE2      PHE  89  -3.753   3.449  -6.515
  685    HZ   PHE  89           HZ       PHE  89  -2.848   5.554  -5.564
  686    H    SER  90           HN       SER  90   1.944   4.896 -10.530
  687    HA   SER  90           HA       SER  90   2.944   5.243  -7.728
  688   1HB   SER  90           HB2      SER  90   5.105   5.960  -8.648
  689   2HB   SER  90           HB1      SER  90   4.748   4.298  -9.119
  690    HG   SER  90           HG       SER  90   4.774   4.937 -11.117
  691    H    GLY  91           HN       GLY  91   3.606   7.451  -7.243
  692   1HA   GLY  91           HA2      GLY  91   3.684   9.812  -8.153
  693   2HA   GLY  91           HA1      GLY  91   2.128   9.481  -8.901
  694    H    ALA  92           HN       ALA  92   2.972  11.452  -6.732
  695    HA   ALA  92           HA       ALA  92   1.649  10.519  -4.310
  696   1HB   ALA  92           HB3      ALA  92   2.790  13.128  -5.272
  697   2HB   ALA  92           HB2      ALA  92   1.813  13.090  -3.805
  698   3HB   ALA  92           HB1      ALA  92   3.295  12.136  -3.911
  699    H    ASN  93           HN       ASN  93  -0.340   9.899  -5.749
  700    HA   ASN  93           HA       ASN  93  -2.267  12.205  -5.812
  701   1HB   ASN  93           HB2      ASN  93  -1.662  11.201  -8.072
  702   2HB   ASN  93           HB1      ASN  93  -2.424   9.710  -7.517
  703   1HD2  ASN  93          HD22      ASN  93  -5.342  12.404  -7.146
  704   2HD2  ASN  93          HD21      ASN  93  -4.080  12.214  -6.027
  705    H    LYS  94           HN       LYS  94  -3.100  11.834  -3.724
  706    HA   LYS  94           HA       LYS  94  -3.780   9.217  -2.706
  707   1HB   LYS  94           HB2      LYS  94  -5.040  10.533  -1.005
  708   2HB   LYS  94           HB1      LYS  94  -3.357  11.007  -1.177
  709   1HG   LYS  94           HG2      LYS  94  -5.085  12.533  -3.005
  710   2HG   LYS  94           HG1      LYS  94  -5.615  12.713  -1.337
  711   1HD   LYS  94           HD2      LYS  94  -3.200  13.259  -0.745
  712   2HD   LYS  94           HD1      LYS  94  -2.879  13.332  -2.483
  713   1HE   LYS  94           HE2      LYS  94  -4.618  15.055  -2.733
  714   2HE   LYS  94           HE1      LYS  94  -4.968  14.962  -1.008
  715   1HZ   LYS  94           HZ2      LYS  94  -2.312  15.372  -1.025
  716   2HZ   LYS  94           HZ1      LYS  94  -2.795  16.276  -2.381
  717   3HZ   LYS  94           HZ3      LYS  94  -3.474  16.601  -0.861
  718    H    GLU  95           HN       GLU  95  -5.632  11.626  -4.535
  719    HA   GLU  95           HA       GLU  95  -8.216  10.503  -4.045
  720   1HB   GLU  95           HB2      GLU  95  -7.178  12.028  -6.453
  721   2HB   GLU  95           HB1      GLU  95  -8.877  11.732  -6.092
  722   1HG   GLU  95           HG2      GLU  95  -6.979  13.175  -4.226
  723   2HG   GLU  95           HG1      GLU  95  -8.079  13.989  -5.337
  724    H    LYS  96           HN       LYS  96  -5.637   9.698  -6.231
  725    HA   LYS  96           HA       LYS  96  -7.004   8.085  -8.119
  726   1HB   LYS  96           HB2      LYS  96  -4.619   8.906  -8.155
  727   2HB   LYS  96           HB1      LYS  96  -4.227   7.643  -7.005
  728   1HG   LYS  96           HG2      LYS  96  -4.691   5.920  -8.542
  729   2HG   LYS  96           HG1      LYS  96  -5.587   6.996  -9.617
  730   1HD   LYS  96           HD2      LYS  96  -3.503   8.224 -10.124
  731   2HD   LYS  96           HD1      LYS  96  -2.606   7.134  -9.066
  732   1HE   LYS  96           HE2      LYS  96  -2.393   6.396 -11.395
  733   2HE   LYS  96           HE1      LYS  96  -3.323   5.215 -10.472
  734   1HZ   LYS  96           HZ2      LYS  96  -4.904   7.316 -11.662
  735   2HZ   LYS  96           HZ1      LYS  96  -4.123   6.313 -12.789
  736   3HZ   LYS  96           HZ3      LYS  96  -5.167   5.638 -11.636
  737    H    LEU  97           HN       LEU  97  -5.766   7.381  -4.895
  738    HA   LEU  97           HA       LEU  97  -6.033   4.551  -4.913
  739   1HB   LEU  97           HB2      LEU  97  -6.375   6.635  -2.741
  740   2HB   LEU  97           HB1      LEU  97  -6.502   4.916  -2.405
  741    HG   LEU  97           HG       LEU  97  -4.089   6.198  -3.699
  742   1HD1  LEU  97          HD12      LEU  97  -4.740   5.576  -0.809
  743   2HD1  LEU  97          HD11      LEU  97  -3.089   5.820  -1.376
  744   3HD1  LEU  97          HD13      LEU  97  -4.268   7.129  -1.496
  745   1HD2  LEU  97          HD22      LEU  97  -4.788   3.425  -2.716
  746   2HD2  LEU  97          HD21      LEU  97  -3.956   3.903  -4.195
  747   3HD2  LEU  97          HD23      LEU  97  -3.122   3.969  -2.654
  748    H    GLU  98           HN       GLU  98  -8.288   7.146  -4.258
  749    HA   GLU  98           HA       GLU  98 -10.468   5.544  -3.352
  750   1HB   GLU  98           HB2      GLU  98 -10.294   8.030  -3.145
  751   2HB   GLU  98           HB1      GLU  98 -10.638   8.156  -4.870
  752   1HG   GLU  98           HG2      GLU  98 -12.712   8.474  -3.653
  753   2HG   GLU  98           HG1      GLU  98 -12.787   6.914  -4.470
  754    H    ALA  99           HN       ALA  99  -9.669   6.661  -6.646
  755    HA   ALA  99           HA       ALA  99 -12.037   5.498  -7.786
  756   1HB   ALA  99           HB3      ALA  99 -10.596   7.310  -8.836
  757   2HB   ALA  99           HB2      ALA  99  -9.457   6.035  -9.270
  758   3HB   ALA  99           HB1      ALA  99 -11.096   6.014  -9.923
  759    H    THR 100           HN       THR 100  -8.689   4.262  -7.517
  760    HA   THR 100           HA       THR 100  -9.189   1.892  -9.042
  761    HB   THR 100           HB       THR 100  -7.219   2.107  -6.751
  762    HG1  THR 100           HG1      THR 100  -6.818   2.786  -9.471
  763   1HG2  THR 100          HG23      THR 100  -7.408   0.449  -9.282
  764   2HG2  THR 100          HG22      THR 100  -5.943   0.560  -8.314
  765   3HG2  THR 100          HG21      THR 100  -7.408  -0.132  -7.618
  766    H    ILE 101           HN       ILE 101  -9.503   2.563  -5.569
  767    HA   ILE 101           HA       ILE 101 -10.064  -0.121  -4.724
  768    HB   ILE 101           HB       ILE 101 -10.947   2.574  -3.621
  769   1HG1  ILE 101          HG12      ILE 101  -8.947   0.623  -2.453
  770   2HG1  ILE 101          HG11      ILE 101  -8.463   1.828  -3.644
  771   1HG2  ILE 101          HG22      ILE 101 -11.331  -0.232  -2.540
  772   2HG2  ILE 101          HG21      ILE 101 -11.365   1.193  -1.500
  773   3HG2  ILE 101          HG23      ILE 101 -12.557   1.014  -2.786
  774   1HD1  ILE 101          HD11      ILE 101  -9.861   2.429  -1.020
  775   2HD1  ILE 101          HD13      ILE 101  -8.138   2.653  -1.328
  776   3HD1  ILE 101          HD12      ILE 101  -9.325   3.622  -2.201
  777    H    ASN 102           HN       ASN 102 -12.218   2.551  -5.652
  778    HA   ASN 102           HA       ASN 102 -14.684   1.126  -5.472
  779   1HB   ASN 102           HB2      ASN 102 -14.476   3.613  -5.712
  780   2HB   ASN 102           HB1      ASN 102 -13.956   3.381  -7.382
  781   1HD2  ASN 102          HD22      ASN 102 -17.854   3.571  -6.656
  782   2HD2  ASN 102          HD21      ASN 102 -16.647   4.147  -5.611
  783    H    GLU 103           HN       GLU 103 -12.257   1.399  -7.981
  784    HA   GLU 103           HA       GLU 103 -13.773   0.190 -10.084
  785   1HB   GLU 103           HB2      GLU 103 -11.612   1.545 -10.240
  786   2HB   GLU 103           HB1      GLU 103 -10.775   0.097  -9.695
  787   1HG   GLU 103           HG2      GLU 103 -12.605   0.085 -12.103
  788   2HG   GLU 103           HG1      GLU 103 -10.876   0.407 -12.221
  789    H    LEU 104           HN       LEU 104 -11.559  -1.149  -7.622
  790    HA   LEU 104           HA       LEU 104 -12.104  -3.900  -8.631
  791   1HB   LEU 104           HB2      LEU 104 -10.137  -2.908  -6.552
  792   2HB   LEU 104           HB1      LEU 104 -10.279  -4.574  -7.102
  793    HG   LEU 104           HG       LEU 104  -9.643  -2.241  -8.938
  794   1HD1  LEU 104          HD13      LEU 104  -7.843  -4.210  -7.503
  795   2HD1  LEU 104          HD12      LEU 104  -7.315  -3.249  -8.884
  796   3HD1  LEU 104          HD11      LEU 104  -7.811  -2.450  -7.392
  797   1HD2  LEU 104          HD23      LEU 104  -9.734  -5.253  -9.250
  798   2HD2  LEU 104          HD22      LEU 104 -10.491  -4.028 -10.264
  799   3HD2  LEU 104          HD21      LEU 104  -8.747  -4.261 -10.321
  800    H    VAL 105           HN       VAL 105 -13.426  -1.843  -6.270
  801    HA   VAL 105           HA       VAL 105 -13.662  -3.687  -4.086
  802    HB   VAL 105           HB       VAL 105 -14.214  -1.202  -4.012
  803   1HG1  VAL 105          HG11      VAL 105 -15.724  -1.418  -6.091
  804   2HG1  VAL 105          HG13      VAL 105 -16.947  -2.036  -4.985
  805   3HG1  VAL 105          HG12      VAL 105 -16.305  -0.406  -4.772
  806   1HG2  VAL 105          HG22      VAL 105 -16.176  -3.245  -2.942
  807   2HG2  VAL 105          HG21      VAL 105 -14.758  -2.597  -2.120
  808   3HG2  VAL 105          HG23      VAL 105 -16.151  -1.559  -2.426
  809    HA   PRO  59           HA       PRO 106  14.778  15.569 -13.535
  810   1HB   PRO  59           HB2      PRO 106  17.194  15.625 -11.740
  811   2HB   PRO  59           HB1      PRO 106  16.958  14.771 -13.282
  812   1HG   PRO  59           HG2      PRO 106  18.358  17.021 -13.188
  813   2HG   PRO  59           HG1      PRO 106  17.259  16.692 -14.541
  814   1HD   PRO  59           HD2      PRO 106  16.919  18.607 -12.270
  815   2HD   PRO  59           HD1      PRO 106  16.292  18.708 -13.931
  816    H    ALA  60           HN       ALA 107  15.167  16.896 -10.280
  817    HA   ALA  60           HA       ALA 107  14.136  14.382  -9.071
  818   1HB   ALA  60           HB2      ALA 107  15.068  16.972  -7.791
  819   2HB   ALA  60           HB1      ALA 107  14.604  15.509  -6.921
  820   3HB   ALA  60           HB3      ALA 107  16.030  15.502  -7.959
  821    H    THR  61           HN       THR 108  12.003  14.167  -8.650
  822    HA   THR  61           HA       THR 108  10.264  16.618  -8.677
  823    HB   THR  61           HB       THR 108   9.429  13.725  -9.059
  824    HG1  THR  61           HG1      THR 108  10.777  15.302 -10.702
  825   1HG2  THR  61          HG22      THR 108   7.732  15.458  -8.312
  826   2HG2  THR  61          HG21      THR 108   8.019  16.286  -9.839
  827   3HG2  THR  61          HG23      THR 108   7.357  14.652  -9.831
  828    H    LEU  62           HN       LEU 109   9.267  17.139  -6.755
  829    HA   LEU  62           HA       LEU 109   9.838  15.630  -4.364
  830   1HB   LEU  62           HB2      LEU 109   7.861  17.853  -4.942
  831   2HB   LEU  62           HB1      LEU 109   8.112  17.182  -3.333
  832    HG   LEU  62           HG       LEU 109  10.356  18.321  -5.025
  833   1HD1  LEU  62          HD11      LEU 109   8.625  20.035  -4.514
  834   2HD1  LEU  62          HD13      LEU 109   8.809  19.675  -2.797
  835   3HD1  LEU  62          HD12      LEU 109  10.157  20.362  -3.705
  836   1HD2  LEU  62          HD21      LEU 109  10.103  17.338  -2.178
  837   2HD2  LEU  62          HD23      LEU 109  11.372  17.010  -3.358
  838   3HD2  LEU  62          HD22      LEU 109  11.291  18.580  -2.569
  839    H    LYS  63           HN       LYS 110   7.198  15.672  -6.649
  840    HA   LYS  63           HA       LYS 110   5.211  14.301  -5.143
  841   1HB   LYS  63           HB2      LYS 110   5.799  14.144  -8.122
  842   2HB   LYS  63           HB1      LYS 110   4.292  13.653  -7.355
  843   1HG   LYS  63           HG2      LYS 110   5.436  16.465  -7.428
  844   2HG   LYS  63           HG1      LYS 110   4.038  15.886  -8.329
  845   1HD   LYS  63           HD2      LYS 110   3.022  15.314  -6.021
  846   2HD   LYS  63           HD1      LYS 110   4.291  16.339  -5.349
  847   1HE   LYS  63           HE2      LYS 110   3.540  18.207  -6.778
  848   2HE   LYS  63           HE1      LYS 110   2.248  17.191  -7.418
  849   1HZ   LYS  63           HZ2      LYS 110   2.272  17.166  -4.574
  850   2HZ   LYS  63           HZ1      LYS 110   2.144  18.756  -5.162
  851   3HZ   LYS  63           HZ3      LYS 110   1.013  17.584  -5.636
  852    H    ILE  64           HN       ILE 111   8.197  13.225  -6.510
  853    HA   ILE  64           HA       ILE 111   7.579  10.397  -5.700
  854    HB   ILE  64           HB       ILE 111   9.037  11.374  -8.183
  855   1HG1  ILE  64          HG12      ILE 111   6.605  11.277  -8.437
  856   2HG1  ILE  64          HG11      ILE 111   7.359   9.989  -9.366
  857   1HG2  ILE  64          HG21      ILE 111   8.899   8.617  -6.958
  858   2HG2  ILE  64          HG23      ILE 111   9.288   8.889  -8.658
  859   3HG2  ILE  64          HG22      ILE 111  10.338   9.539  -7.398
  860   1HD1  ILE  64          HD12      ILE 111   6.947   8.636  -7.061
  861   2HD1  ILE  64          HD11      ILE 111   5.646   9.813  -6.933
  862   3HD1  ILE  64          HD13      ILE 111   5.730   8.738  -8.326
  863    H    CYS  65           HN       CYS 112   9.348   9.310  -4.661
  864    HA   CYS  65           HA       CYS 112  11.703  11.033  -3.987
  865   1HB   CYS  65           HB2      CYS 112  11.031   8.434  -2.594
  866   2HB   CYS  65           HB1      CYS 112  12.020   9.763  -2.011
  867    H    SER  66           HN       SER 113  13.695  10.410  -4.788
  868    HA   SER  66           HA       SER 113  13.768   8.155  -6.658
  869   1HB   SER  66           HB2      SER 113  15.939  10.068  -5.759
  870   2HB   SER  66           HB1      SER 113  16.068   8.935  -7.103
  871    HG   SER  66           HG       SER 113  15.110  10.400  -8.250
  872    H    TRP  67           HN       TRP 114  14.864   6.206  -6.381
  873    HA   TRP  67           HA       TRP 114  15.509   5.400  -3.649
  874   1HB   TRP  67           HB2      TRP 114  15.769   3.967  -6.311
  875   2HB   TRP  67           HB1      TRP 114  16.178   3.235  -4.758
  876    HD1  TRP  67           HD1      TRP 114  13.172   5.317  -6.007
  877    HE1  TRP  67           HE1      TRP 114  11.022   4.159  -5.214
  878    HE3  TRP  67           HE3      TRP 114  15.154   1.283  -3.616
  879    HZ2  TRP  67           HZ2      TRP 114  10.254   1.855  -3.747
  880    HZ3  TRP  67           HZ3      TRP 114  13.695  -0.382  -2.532
  881    HH2  TRP  67           HH2      TRP 114  11.238  -0.103  -2.602
  882    H    ASN  68           HN       ASN 115  17.140   7.044  -6.066
  883    HA   ASN  68           HA       ASN 115  19.759   5.994  -6.024
  884   1HB   ASN  68           HB2      ASN 115  18.800   8.875  -6.177
  885   2HB   ASN  68           HB1      ASN 115  20.479   8.386  -6.434
  886   1HD2  ASN  68          HD22      ASN 115  18.460   6.258  -9.138
  887   2HD2  ASN  68          HD21      ASN 115  18.544   5.863  -7.490
  888    H    VAL  69           HN       VAL 116  17.904   7.265  -3.484
  889    HA   VAL  69           HA       VAL 116  19.897   8.523  -1.880
  890    HB   VAL  69           HB       VAL 116  18.408   7.875   0.051
  891   1HG1  VAL  69          HG13      VAL 116  18.039   9.878  -1.555
  892   2HG1  VAL  69          HG12      VAL 116  16.743   8.909  -2.251
  893   3HG1  VAL  69          HG11      VAL 116  16.678   9.376  -0.553
  894   1HG2  VAL  69          HG23      VAL 116  16.856   6.515  -2.171
  895   2HG2  VAL  69          HG22      VAL 116  17.661   5.703  -0.832
  896   3HG2  VAL  69          HG21      VAL 116  16.268   6.742  -0.529
  897    H    ASP  70           HN       ASP 117  21.426   7.677  -0.480
  898    HA   ASP  70           HA       ASP 117  22.486   5.092  -0.982
  899   1HB   ASP  70           HB2      ASP 117  22.829   6.972   1.368
  900   2HB   ASP  70           HB1      ASP 117  23.768   5.492   1.165
  901    H    GLY  71           HN       GLY 118  20.318   6.237   1.595
  902   1HA   GLY  71           HA2      GLY 118  18.866   5.001   2.972
  903   2HA   GLY  71           HA1      GLY 118  19.188   3.598   1.952
   
  No H/Q in entry =         903
  Start of MODEL    9
    1   1H    MET   1           HT2      MET   1  -9.073  -0.856   9.652
    2   2H    MET   1           HT1      MET   1  -9.036  -2.500  10.079
    3   3H    MET   1           HT3      MET   1  -9.755  -1.370  11.121
    4    HA   MET   1           HA       MET   1  -7.660  -0.343  11.585
    5   1HB   MET   1           HB2      MET   1  -7.523  -3.372  11.740
    6   2HB   MET   1           HB1      MET   1  -6.507  -2.265  12.663
    7   1HG   MET   1           HG2      MET   1  -9.537  -2.360  12.797
    8   2HG   MET   1           HG1      MET   1  -8.451  -3.070  13.989
    9   1HE   MET   1           HE2      MET   1  -6.681  -1.993  15.056
   10   2HE   MET   1           HE1      MET   1  -6.621  -0.327  15.621
   11   3HE   MET   1           HE3      MET   1  -7.820  -1.446  16.284
   12    H    VAL   2           HN       VAL   2  -5.328  -0.345  11.269
   13    HA   VAL   2           HA       VAL   2  -4.584  -1.044   8.462
   14    HB   VAL   2           HB       VAL   2  -3.314   0.786  10.525
   15   1HG1  VAL   2          HG13      VAL   2  -2.442  -0.014   7.738
   16   2HG1  VAL   2          HG12      VAL   2  -1.885   1.466   8.519
   17   3HG1  VAL   2          HG11      VAL   2  -1.505  -0.103   9.230
   18   1HG2  VAL   2          HG23      VAL   2  -5.389   1.615   9.464
   19   2HG2  VAL   2          HG22      VAL   2  -3.988   2.533   8.917
   20   3HG2  VAL   2          HG21      VAL   2  -4.695   1.304   7.874
   21    H    LYS   3           HN       LYS   3  -2.522  -2.117   8.067
   22    HA   LYS   3           HA       LYS   3  -1.409  -3.624  10.409
   23   1HB   LYS   3           HB2      LYS   3  -2.929  -5.050   8.993
   24   2HB   LYS   3           HB1      LYS   3  -1.887  -4.721   7.615
   25   1HG   LYS   3           HG2      LYS   3  -1.063  -6.780   8.385
   26   2HG   LYS   3           HG1      LYS   3   0.030  -5.633   9.150
   27   1HD   LYS   3           HD2      LYS   3  -1.214  -5.755  11.236
   28   2HD   LYS   3           HD1      LYS   3  -2.439  -6.774  10.482
   29   1HE   LYS   3           HE2      LYS   3  -0.704  -8.498  10.050
   30   2HE   LYS   3           HE1      LYS   3   0.482  -7.487  10.876
   31   1HZ   LYS   3           HZ3      LYS   3  -1.329  -7.536  12.746
   32   2HZ   LYS   3           HZ2      LYS   3  -1.784  -8.982  11.981
   33   3HZ   LYS   3           HZ1      LYS   3  -0.209  -8.799  12.589
   34    H    GLN   4           HN       GLN   4   0.788  -3.431  10.526
   35    HA   GLN   4           HA       GLN   4   2.204  -2.144   8.232
   36   1HB   GLN   4           HB2      GLN   4   2.422  -1.137  10.508
   37   2HB   GLN   4           HB1      GLN   4   3.150  -2.640  11.074
   38   1HG   GLN   4           HG2      GLN   4   4.957  -2.385   9.382
   39   2HG   GLN   4           HG1      GLN   4   4.242  -0.850   8.880
   40   1HE2  GLN   4          HE22      GLN   4   6.390   0.655  11.264
   41   2HE2  GLN   4          HE21      GLN   4   6.021   0.474   9.617
   42    H    ILE   5           HN       ILE   5   3.356  -3.459   6.910
   43    HA   ILE   5           HA       ILE   5   4.085  -6.200   7.848
   44    HB   ILE   5           HB       ILE   5   4.282  -5.043   5.065
   45   1HG1  ILE   5          HG12      ILE   5   1.960  -4.859   5.710
   46   2HG1  ILE   5          HG11      ILE   5   2.119  -6.269   4.664
   47   1HG2  ILE   5          HG21      ILE   5   5.543  -7.159   5.732
   48   2HG2  ILE   5          HG23      ILE   5   3.961  -7.914   5.923
   49   3HG2  ILE   5          HG22      ILE   5   4.454  -7.288   4.358
   50   1HD1  ILE   5          HD12      ILE   5   2.422  -7.607   6.877
   51   2HD1  ILE   5          HD11      ILE   5   1.730  -6.184   7.650
   52   3HD1  ILE   5          HD13      ILE   5   0.802  -7.069   6.443
   53    H    GLU   6           HN       GLU   6   6.125  -6.292   8.697
   54    HA   GLU   6           HA       GLU   6   8.201  -4.397   7.704
   55   1HB   GLU   6           HB2      GLU   6   8.195  -6.267  10.093
   56   2HB   GLU   6           HB1      GLU   6   9.452  -5.090   9.705
   57   1HG   GLU   6           HG2      GLU   6   6.565  -4.286  10.079
   58   2HG   GLU   6           HG1      GLU   6   7.706  -4.341  11.421
   59    H    SER   7           HN       SER   7   7.110  -7.437   6.946
   60    HA   SER   7           HA       SER   7   9.711  -8.141   5.718
   61   1HB   SER   7           HB2      SER   7   9.715 -10.410   6.698
   62   2HB   SER   7           HB1      SER   7   9.857  -9.172   7.949
   63    HG   SER   7           HG       SER   7   8.174 -10.158   8.755
   64    H    LYS   8           HN       LYS   8   9.514  -9.837   4.105
   65    HA   LYS   8           HA       LYS   8   7.037  -9.810   2.630
   66   1HB   LYS   8           HB2      LYS   8   9.353 -10.312   1.684
   67   2HB   LYS   8           HB1      LYS   8   9.207 -11.911   2.420
   68   1HG   LYS   8           HG2      LYS   8   6.965 -12.106   1.187
   69   2HG   LYS   8           HG1      LYS   8   7.482 -10.695   0.263
   70   1HD   LYS   8           HD2      LYS   8   9.036 -13.291   0.485
   71   2HD   LYS   8           HD1      LYS   8   8.047 -12.817  -0.896
   72   1HE   LYS   8           HE2      LYS   8   9.472 -10.701  -0.998
   73   2HE   LYS   8           HE1      LYS   8  10.572 -11.511   0.116
   74   1HZ   LYS   8           HZ2      LYS   8  10.397 -13.430  -1.587
   75   2HZ   LYS   8           HZ1      LYS   8   9.908 -12.207  -2.662
   76   3HZ   LYS   8           HZ3      LYS   8  11.425 -12.116  -1.910
   77    H    THR   9           HN       THR   9   8.434 -11.906   5.057
   78    HA   THR   9           HA       THR   9   6.763 -14.165   4.772
   79    HB   THR   9           HB       THR   9   7.724 -12.951   7.377
   80    HG1  THR   9           HG1      THR   9   9.567 -13.267   6.388
   81   1HG2  THR   9          HG23      THR   9   6.072 -14.780   7.603
   82   2HG2  THR   9          HG22      THR   9   7.095 -15.813   6.604
   83   3HG2  THR   9          HG21      THR   9   7.666 -15.266   8.181
   84    H    ALA  10           HN       ALA  10   6.278 -11.209   6.679
   85    HA   ALA  10           HA       ALA  10   3.621 -11.957   7.534
   86   1HB   ALA  10           HB1      ALA  10   5.062  -9.290   7.440
   87   2HB   ALA  10           HB3      ALA  10   3.445  -9.494   8.115
   88   3HB   ALA  10           HB2      ALA  10   4.819 -10.324   8.845
   89    H    PHE  11           HN       PHE  11   4.938 -10.272   4.729
   90    HA   PHE  11           HA       PHE  11   2.548  -9.062   3.777
   91   1HB   PHE  11           HB2      PHE  11   4.901  -8.834   2.798
   92   2HB   PHE  11           HB1      PHE  11   4.658 -10.399   2.047
   93    HD1  PHE  11           HD1      PHE  11   2.848  -7.138   2.451
   94    HD2  PHE  11           HD2      PHE  11   3.806 -10.437  -0.131
   95    HE1  PHE  11           HE1      PHE  11   1.615  -6.054   0.604
   96    HE2  PHE  11           HE2      PHE  11   2.566  -9.348  -1.981
   97    HZ   PHE  11           HZ       PHE  11   1.466  -7.158  -1.612
   98    H    GLN  12           HN       GLN  12   3.884 -12.307   3.247
   99    HA   GLN  12           HA       GLN  12   1.791 -13.265   1.532
  100   1HB   GLN  12           HB2      GLN  12   3.574 -14.754   3.494
  101   2HB   GLN  12           HB1      GLN  12   2.630 -15.507   2.209
  102   1HG   GLN  12           HG2      GLN  12   4.794 -13.424   1.776
  103   2HG   GLN  12           HG1      GLN  12   5.010 -15.161   1.559
  104   1HE2  GLN  12          HE22      GLN  12   3.474 -13.041  -1.454
  105   2HE2  GLN  12          HE21      GLN  12   4.264 -12.350  -0.119
  106    H    GLU  13           HN       GLU  13   2.277 -13.362   5.047
  107    HA   GLU  13           HA       GLU  13  -0.070 -14.879   5.668
  108   1HB   GLU  13           HB2      GLU  13   1.486 -12.864   7.317
  109   2HB   GLU  13           HB1      GLU  13   0.255 -13.931   7.970
  110   1HG   GLU  13           HG2      GLU  13   2.761 -14.861   6.541
  111   2HG   GLU  13           HG1      GLU  13   2.549 -14.839   8.292
  112    H    ALA  14           HN       ALA  14   0.474 -11.419   5.249
  113    HA   ALA  14           HA       ALA  14  -2.109 -10.611   6.224
  114   1HB   ALA  14           HB1      ALA  14   0.022  -9.183   5.776
  115   2HB   ALA  14           HB3      ALA  14  -0.568  -9.099   4.117
  116   3HB   ALA  14           HB2      ALA  14  -1.552  -8.465   5.437
  117    H    LEU  15           HN       LEU  15  -0.850 -11.339   2.976
  118    HA   LEU  15           HA       LEU  15  -3.223 -10.730   1.533
  119   1HB   LEU  15           HB2      LEU  15  -1.051 -12.786   1.035
  120   2HB   LEU  15           HB1      LEU  15  -2.311 -12.404  -0.136
  121    HG   LEU  15           HG       LEU  15  -0.467 -10.311   1.043
  122   1HD1  LEU  15          HD13      LEU  15  -0.126 -12.097  -1.365
  123   2HD1  LEU  15          HD12      LEU  15   0.624 -10.502  -1.307
  124   3HD1  LEU  15          HD11      LEU  15   1.041 -11.715  -0.098
  125   1HD2  LEU  15          HD21      LEU  15  -2.478 -10.378  -1.212
  126   2HD2  LEU  15          HD23      LEU  15  -2.309  -9.196   0.082
  127   3HD2  LEU  15          HD22      LEU  15  -1.150  -9.220  -1.242
  128    H    ASP  16           HN       ASP  16  -2.118 -13.648   3.198
  129    HA   ASP  16           HA       ASP  16  -4.370 -15.266   2.423
  130   1HB   ASP  16           HB2      ASP  16  -2.157 -16.140   3.284
  131   2HB   ASP  16           HB1      ASP  16  -2.658 -15.614   4.895
  132    H    ALA  17           HN       ALA  17  -3.666 -13.248   5.257
  133    HA   ALA  17           HA       ALA  17  -6.047 -14.008   6.702
  134   1HB   ALA  17           HB1      ALA  17  -3.965 -12.974   7.707
  135   2HB   ALA  17           HB3      ALA  17  -4.485 -11.436   7.018
  136   3HB   ALA  17           HB2      ALA  17  -5.482 -12.242   8.228
  137    H    ALA  18           HN       ALA  18  -5.328 -11.489   4.346
  138    HA   ALA  18           HA       ALA  18  -7.668  -9.901   4.797
  139   1HB   ALA  18           HB3      ALA  18  -5.836 -10.306   2.437
  140   2HB   ALA  18           HB2      ALA  18  -7.280  -9.304   2.286
  141   3HB   ALA  18           HB1      ALA  18  -6.027  -8.878   3.452
  142    H    GLY  19           HN       GLY  19  -7.141 -12.935   3.166
  143   1HA   GLY  19           HA2      GLY  19  -8.685 -14.464   2.284
  144   2HA   GLY  19           HA1      GLY  19  -9.956 -13.498   3.037
  145    H    ASP  20           HN       ASP  20 -11.404 -13.039   1.446
  146    HA   ASP  20           HA       ASP  20 -10.461 -12.501  -1.302
  147   1HB   ASP  20           HB2      ASP  20 -13.254 -12.681  -0.149
  148   2HB   ASP  20           HB1      ASP  20 -12.858 -12.527  -1.863
  149    H    LYS  21           HN       LYS  21 -10.727 -10.613   1.381
  150    HA   LYS  21           HA       LYS  21 -12.191  -8.346   0.304
  151   1HB   LYS  21           HB2      LYS  21 -10.180  -8.568   2.565
  152   2HB   LYS  21           HB1      LYS  21 -11.070  -7.096   2.180
  153   1HG   LYS  21           HG2      LYS  21 -13.197  -8.566   2.397
  154   2HG   LYS  21           HG1      LYS  21 -12.143  -9.723   3.211
  155   1HD   LYS  21           HD2      LYS  21 -11.410  -7.798   4.718
  156   2HD   LYS  21           HD1      LYS  21 -12.746  -6.874   4.032
  157   1HE   LYS  21           HE2      LYS  21 -14.253  -8.829   4.698
  158   2HE   LYS  21           HE1      LYS  21 -12.888  -9.425   5.643
  159   1HZ   LYS  21           HZ3      LYS  21 -12.885  -6.978   6.512
  160   2HZ   LYS  21           HZ2      LYS  21 -14.517  -7.022   6.041
  161   3HZ   LYS  21           HZ1      LYS  21 -13.930  -8.133   7.185
  162    H    LEU  22           HN       LEU  22 -11.292  -6.391  -0.572
  163    HA   LEU  22           HA       LEU  22  -9.074  -6.688  -2.306
  164   1HB   LEU  22           HB2      LEU  22 -11.042  -4.805  -1.937
  165   2HB   LEU  22           HB1      LEU  22  -9.661  -3.956  -1.276
  166    HG   LEU  22           HG       LEU  22  -9.987  -5.037  -4.078
  167   1HD1  LEU  22          HD13      LEU  22 -10.027  -2.327  -2.794
  168   2HD1  LEU  22          HD12      LEU  22  -9.246  -2.439  -4.359
  169   3HD1  LEU  22          HD11      LEU  22 -10.928  -2.934  -4.178
  170   1HD2  LEU  22          HD23      LEU  22  -7.510  -3.987  -2.686
  171   2HD2  LEU  22          HD22      LEU  22  -7.685  -5.484  -3.607
  172   3HD2  LEU  22          HD21      LEU  22  -7.689  -3.937  -4.436
  173    H    VAL  23           HN       VAL  23  -6.902  -5.619  -2.042
  174    HA   VAL  23           HA       VAL  23  -6.111  -5.019   0.753
  175    HB   VAL  23           HB       VAL  23  -4.740  -7.064  -1.016
  176   1HG1  VAL  23          HG13      VAL  23  -4.036  -5.841   1.658
  177   2HG1  VAL  23          HG12      VAL  23  -3.333  -7.356   1.096
  178   3HG1  VAL  23          HG11      VAL  23  -3.058  -5.867   0.191
  179   1HG2  VAL  23          HG23      VAL  23  -6.386  -7.274   1.509
  180   2HG2  VAL  23          HG22      VAL  23  -6.646  -8.098  -0.029
  181   3HG2  VAL  23          HG21      VAL  23  -5.281  -8.550   0.993
  182    H    VAL  24           HN       VAL  24  -5.340  -2.984   0.460
  183    HA   VAL  24           HA       VAL  24  -3.773  -2.381  -2.001
  184    HB   VAL  24           HB       VAL  24  -4.724  -0.477   0.165
  185   1HG1  VAL  24          HG13      VAL  24  -2.803   0.240  -1.293
  186   2HG1  VAL  24          HG12      VAL  24  -3.850   0.027  -2.696
  187   3HG1  VAL  24          HG11      VAL  24  -4.240   1.244  -1.480
  188   1HG2  VAL  24          HG23      VAL  24  -6.019  -1.446  -2.383
  189   2HG2  VAL  24          HG22      VAL  24  -6.718  -1.348  -0.771
  190   3HG2  VAL  24          HG21      VAL  24  -6.421   0.125  -1.695
  191    H    VAL  25           HN       VAL  25  -1.590  -1.820  -1.855
  192    HA   VAL  25           HA       VAL  25  -0.327  -1.995   0.870
  193    HB   VAL  25           HB       VAL  25   0.869  -2.918  -1.760
  194   1HG1  VAL  25          HG13      VAL  25   2.375  -2.224   0.196
  195   2HG1  VAL  25          HG12      VAL  25   1.714  -3.615   1.053
  196   3HG1  VAL  25          HG11      VAL  25   2.616  -3.848  -0.442
  197   1HG2  VAL  25          HG22      VAL  25  -1.156  -4.256  -0.999
  198   2HG2  VAL  25          HG21      VAL  25   0.339  -5.173  -1.121
  199   3HG2  VAL  25          HG23      VAL  25  -0.247  -4.655   0.457
  200    H    ASP  26           HN       ASP  26   0.682  -0.120   1.397
  201    HA   ASP  26           HA       ASP  26   1.421   1.791  -0.793
  202   1HB   ASP  26           HB2      ASP  26   0.007   2.570   1.136
  203   2HB   ASP  26           HB1      ASP  26   1.359   2.240   2.217
  204    H    PHE  27           HN       PHE  27   3.528   1.653  -1.458
  205    HA   PHE  27           HA       PHE  27   5.607   0.562   0.364
  206   1HB   PHE  27           HB2      PHE  27   5.540   1.169  -2.595
  207   2HB   PHE  27           HB1      PHE  27   7.058   0.843  -1.761
  208    HD1  PHE  27           HD1      PHE  27   7.369  -1.345  -0.559
  209    HD2  PHE  27           HD2      PHE  27   4.037  -0.611  -3.172
  210    HE1  PHE  27           HE1      PHE  27   6.985  -3.786  -0.754
  211    HE2  PHE  27           HE2      PHE  27   3.653  -3.055  -3.358
  212    HZ   PHE  27           HZ       PHE  27   5.129  -4.642  -2.155
  213    H    SER  28           HN       SER  28   4.347   3.378   0.510
  214    HA   SER  28           HA       SER  28   6.224   5.317  -0.286
  215   1HB   SER  28           HB2      SER  28   4.561   5.330   2.245
  216   2HB   SER  28           HB1      SER  28   5.335   6.732   1.516
  217    HG   SER  28           HG       SER  28   3.712   5.194  -0.134
  218    H    ALA  29           HN       ALA  29   8.013   6.239   0.655
  219    HA   ALA  29           HA       ALA  29   9.493   4.505   2.523
  220   1HB   ALA  29           HB2      ALA  29  10.115   6.724   0.636
  221   2HB   ALA  29           HB1      ALA  29  11.114   6.682   2.086
  222   3HB   ALA  29           HB3      ALA  29  11.058   5.284   1.009
  223    H    THR  30           HN       THR  30   9.354   4.859   4.704
  224    HA   THR  30           HA       THR  30   7.860   7.051   5.784
  225    HB   THR  30           HB       THR  30   8.193   4.941   7.042
  226    HG1  THR  30           HG1      THR  30   7.852   6.222   8.652
  227   1HG2  THR  30          HG23      THR  30  10.608   4.686   6.267
  228   2HG2  THR  30          HG22      THR  30  11.034   5.868   7.504
  229   3HG2  THR  30          HG21      THR  30  10.310   4.328   7.970
  230    H    TRP  31           HN       TRP  31  11.255   6.596   5.015
  231    HA   TRP  31           HA       TRP  31  12.159   8.931   6.501
  232   1HB   TRP  31           HB2      TRP  31  14.254   8.633   5.279
  233   2HB   TRP  31           HB1      TRP  31  13.675   7.082   5.885
  234    HD1  TRP  31           HD1      TRP  31  13.024   5.268   4.171
  235    HE1  TRP  31           HE1      TRP  31  13.244   5.064   1.612
  236    HE3  TRP  31           HE3      TRP  31  14.007  10.127   3.000
  237    HZ2  TRP  31           HZ2      TRP  31  13.719   6.762  -0.640
  238    HZ3  TRP  31           HZ3      TRP  31  14.305  10.816   0.641
  239    HH2  TRP  31           HH2      TRP  31  14.158   9.140  -1.179
  240    H    CYS  32           HN       CYS  32  10.596   8.518   3.430
  241    HA   CYS  32           HA       CYS  32  11.647  11.059   2.366
  242   1HB   CYS  32           HB2      CYS  32  11.014   9.024   0.933
  243   2HB   CYS  32           HB1      CYS  32   9.337   9.442   1.255
  244    H    GLY  33           HN       GLY  33  10.863  12.937   3.013
  245   1HA   GLY  33           HA2      GLY  33   8.685  13.257   4.789
  246   2HA   GLY  33           HA1      GLY  33   9.441  14.561   3.886
  247    HA   PRO  34           HA       PRO  34   6.021  14.957   1.175
  248   1HB   PRO  34           HB2      PRO  34   6.822  13.904  -1.339
  249   2HB   PRO  34           HB1      PRO  34   6.986  15.576  -0.787
  250   1HG   PRO  34           HG2      PRO  34   9.059  13.498  -1.046
  251   2HG   PRO  34           HG1      PRO  34   9.245  15.252  -0.909
  252   1HD   PRO  34           HD2      PRO  34   9.807  13.376   1.112
  253   2HD   PRO  34           HD1      PRO  34   9.630  15.125   1.363
  254    H    ALA  35           HN       ALA  35   7.409  11.705   1.003
  255    HA   ALA  35           HA       ALA  35   4.936  10.499   0.034
  256   1HB   ALA  35           HB3      ALA  35   7.399   9.593  -0.105
  257   2HB   ALA  35           HB2      ALA  35   7.063   8.949   1.502
  258   3HB   ALA  35           HB1      ALA  35   6.071   8.456   0.128
  259    H    LYS  36           HN       LYS  36   6.567  10.636   3.222
  260    HA   LYS  36           HA       LYS  36   4.576   9.210   4.687
  261   1HB   LYS  36           HB2      LYS  36   6.839   9.802   5.567
  262   2HB   LYS  36           HB1      LYS  36   6.329  11.485   5.675
  263   1HG   LYS  36           HG2      LYS  36   4.433  10.705   7.180
  264   2HG   LYS  36           HG1      LYS  36   5.208   9.120   7.205
  265   1HD   LYS  36           HD2      LYS  36   7.294  10.198   8.050
  266   2HD   LYS  36           HD1      LYS  36   6.436  11.737   8.121
  267   1HE   LYS  36           HE2      LYS  36   6.349  10.771  10.329
  268   2HE   LYS  36           HE1      LYS  36   4.739  10.615   9.625
  269   1HZ   LYS  36           HZ3      LYS  36   6.307   8.389   8.904
  270   2HZ   LYS  36           HZ2      LYS  36   6.370   8.589  10.591
  271   3HZ   LYS  36           HZ1      LYS  36   4.872   8.428   9.808
  272    H    MET  37           HN       MET  37   4.785  12.549   3.645
  273    HA   MET  37           HA       MET  37   2.746  13.658   5.269
  274   1HB   MET  37           HB2      MET  37   4.295  14.969   3.830
  275   2HB   MET  37           HB1      MET  37   3.430  14.386   2.413
  276   1HG   MET  37           HG2      MET  37   1.951  15.771   4.648
  277   2HG   MET  37           HG1      MET  37   2.767  16.707   3.397
  278   1HE   MET  37           HE1      MET  37   2.732  16.120   1.077
  279   2HE   MET  37           HE3      MET  37   1.297  15.664   0.148
  280   3HE   MET  37           HE2      MET  37   1.377  17.234   0.942
  281    H    ILE  38           HN       ILE  38   2.539  11.574   2.462
  282    HA   ILE  38           HA       ILE  38  -0.308  12.105   2.016
  283    HB   ILE  38           HB       ILE  38   1.200   9.742   0.895
  284   1HG1  ILE  38          HG12      ILE  38   1.269  12.621  -0.058
  285   2HG1  ILE  38          HG11      ILE  38   2.633  11.699   0.571
  286   1HG2  ILE  38          HG22      ILE  38  -1.302  10.075   0.517
  287   2HG2  ILE  38          HG21      ILE  38  -0.888  11.536  -0.373
  288   3HG2  ILE  38          HG23      ILE  38  -0.330   9.965  -0.944
  289   1HD1  ILE  38          HD13      ILE  38   2.114  10.011  -1.316
  290   2HD1  ILE  38          HD12      ILE  38   1.145  11.305  -2.014
  291   3HD1  ILE  38          HD11      ILE  38   2.875  11.536  -1.765
  292    H    LYS  39           HN       LYS  39   1.313  10.262   4.359
  293    HA   LYS  39           HA       LYS  39  -0.250   7.903   4.330
  294   1HB   LYS  39           HB2      LYS  39   0.543   7.366   6.461
  295   2HB   LYS  39           HB1      LYS  39   1.830   8.315   5.748
  296   1HG   LYS  39           HG2      LYS  39   1.335  10.207   7.105
  297   2HG   LYS  39           HG1      LYS  39  -0.243   9.581   7.579
  298   1HD   LYS  39           HD2      LYS  39   2.403   8.295   8.296
  299   2HD   LYS  39           HD1      LYS  39   1.506   9.378   9.355
  300   1HE   LYS  39           HE2      LYS  39   0.649   7.386  10.136
  301   2HE   LYS  39           HE1      LYS  39  -0.465   7.601   8.787
  302   1HZ   LYS  39           HZ3      LYS  39   2.032   6.359   8.074
  303   2HZ   LYS  39           HZ2      LYS  39   1.108   5.451   9.175
  304   3HZ   LYS  39           HZ1      LYS  39   0.444   5.910   7.678
  305    HA   PRO  40           HA       PRO  40  -3.346  10.177   7.324
  306   1HB   PRO  40           HB2      PRO  40  -3.761  12.622   5.670
  307   2HB   PRO  40           HB1      PRO  40  -3.653  12.464   7.434
  308   1HG   PRO  40           HG2      PRO  40  -1.666  13.581   6.007
  309   2HG   PRO  40           HG1      PRO  40  -1.330  12.582   7.430
  310   1HD   PRO  40           HD2      PRO  40  -1.097  11.874   4.542
  311   2HD   PRO  40           HD1      PRO  40  -0.037  11.399   5.881
  312    H    PHE  41           HN       PHE  41  -3.434  10.843   3.788
  313    HA   PHE  41           HA       PHE  41  -6.264  10.291   3.587
  314   1HB   PHE  41           HB2      PHE  41  -4.023  10.243   1.547
  315   2HB   PHE  41           HB1      PHE  41  -5.712   9.971   1.140
  316    HD1  PHE  41           HD2      PHE  41  -3.422  12.419   2.762
  317    HD2  PHE  41           HD1      PHE  41  -7.173  11.770   0.780
  318    HE1  PHE  41           HE2      PHE  41  -3.799  14.869   2.678
  319    HE2  PHE  41           HE1      PHE  41  -7.554  14.219   0.694
  320    HZ   PHE  41           HZ       PHE  41  -5.865  15.769   1.642
  321    H    PHE  42           HN       PHE  42  -3.360   8.368   2.853
  322    HA   PHE  42           HA       PHE  42  -4.695   5.967   2.102
  323   1HB   PHE  42           HB2      PHE  42  -2.305   6.402   1.691
  324   2HB   PHE  42           HB1      PHE  42  -1.988   6.377   3.427
  325    HD1  PHE  42           HD1      PHE  42  -3.163   4.304   0.568
  326    HD2  PHE  42           HD2      PHE  42  -1.701   4.327   4.603
  327    HE1  PHE  42           HE1      PHE  42  -2.934   1.841   0.492
  328    HE2  PHE  42           HE2      PHE  42  -1.464   1.860   4.529
  329    HZ   PHE  42           HZ       PHE  42  -2.084   0.615   2.474
  330    H    HIS  43           HN       HIS  43  -3.286   6.899   5.224
  331    HA   HIS  43           HA       HIS  43  -4.251   4.605   6.644
  332   1HB   HIS  43           HB2      HIS  43  -2.319   5.937   7.370
  333   2HB   HIS  43           HB1      HIS  43  -3.363   7.332   7.637
  334    HD1  HIS  43           HD1      HIS  43  -2.354   4.068   9.107
  335    HD2  HIS  43           HD2      HIS  43  -5.068   7.113   9.915
  336    HE1  HIS  43           HE1      HIS  43  -3.314   3.574  11.398
  337    H    SER  44           HN       SER  44  -5.581   7.906   6.258
  338    HA   SER  44           HA       SER  44  -7.718   7.578   8.133
  339   1HB   SER  44           HB2      SER  44  -7.602   9.354   5.683
  340   2HB   SER  44           HB1      SER  44  -8.804   9.465   6.961
  341    HG   SER  44           HG       SER  44  -7.300  10.828   7.664
  342    H    LEU  45           HN       LEU  45  -7.488   6.847   4.676
  343    HA   LEU  45           HA       LEU  45 -10.245   6.297   4.251
  344   1HB   LEU  45           HB2      LEU  45  -7.766   5.286   2.874
  345   2HB   LEU  45           HB1      LEU  45  -9.381   4.884   2.314
  346    HG   LEU  45           HG       LEU  45  -8.578   7.765   2.765
  347   1HD1  LEU  45          HD13      LEU  45  -8.175   6.097   0.262
  348   2HD1  LEU  45          HD12      LEU  45  -8.051   7.855   0.322
  349   3HD1  LEU  45          HD11      LEU  45  -6.909   6.859   1.225
  350   1HD2  LEU  45          HD22      LEU  45 -10.646   6.359   1.062
  351   2HD2  LEU  45          HD21      LEU  45 -10.943   7.405   2.444
  352   3HD2  LEU  45          HD23      LEU  45 -10.303   8.081   0.954
  353    H    SER  46           HN       SER  46  -7.843   4.425   5.892
  354    HA   SER  46           HA       SER  46  -8.781   1.814   5.478
  355   1HB   SER  46           HB2      SER  46  -7.853   3.028   8.097
  356   2HB   SER  46           HB1      SER  46  -7.933   1.307   7.739
  357    HG   SER  46           HG       SER  46  -6.613   2.498   5.772
  358    H    GLU  47           HN       GLU  47 -10.045   4.318   7.666
  359    HA   GLU  47           HA       GLU  47 -12.198   2.527   8.584
  360   1HB   GLU  47           HB2      GLU  47 -11.631   5.473   9.076
  361   2HB   GLU  47           HB1      GLU  47 -12.990   4.603   9.782
  362   1HG   GLU  47           HG2      GLU  47 -10.077   3.847  10.155
  363   2HG   GLU  47           HG1      GLU  47 -11.041   4.741  11.328
  364    H    LYS  48           HN       LYS  48 -11.675   4.734   5.963
  365    HA   LYS  48           HA       LYS  48 -14.496   5.432   5.650
  366   1HB   LYS  48           HB2      LYS  48 -12.613   6.833   4.698
  367   2HB   LYS  48           HB1      LYS  48 -12.334   5.543   3.523
  368   1HG   LYS  48           HG2      LYS  48 -14.716   5.734   2.800
  369   2HG   LYS  48           HG1      LYS  48 -14.908   7.101   3.896
  370   1HD   LYS  48           HD2      LYS  48 -13.097   8.298   2.675
  371   2HD   LYS  48           HD1      LYS  48 -13.007   6.947   1.546
  372   1HE   LYS  48           HE2      LYS  48 -15.283   7.301   0.826
  373   2HE   LYS  48           HE1      LYS  48 -15.535   8.525   2.069
  374   1HZ   LYS  48           HZ3      LYS  48 -13.767   9.846   1.006
  375   2HZ   LYS  48           HZ2      LYS  48 -13.670   8.694  -0.237
  376   3HZ   LYS  48           HZ1      LYS  48 -15.095   9.592  -0.016
  377    H    TYR  49           HN       TYR  49 -12.237   3.057   4.391
  378    HA   TYR  49           HA       TYR  49 -14.569   1.511   3.282
  379   1HB   TYR  49           HB2      TYR  49 -11.726   1.649   2.197
  380   2HB   TYR  49           HB1      TYR  49 -12.983   0.564   1.607
  381    HD1  TYR  49           HD2      TYR  49 -15.197   1.639   0.796
  382    HD2  TYR  49           HD1      TYR  49 -11.532   3.829   1.289
  383    HE1  TYR  49           HE2      TYR  49 -16.054   3.415  -0.707
  384    HE2  TYR  49           HE1      TYR  49 -12.395   5.596  -0.228
  385    HH   TYR  49           HH       TYR  49 -14.005   6.092  -1.748
  386    H    SER  50           HN       SER  50 -14.396   0.879   5.676
  387    HA   SER  50           HA       SER  50 -12.205  -0.676   6.646
  388   1HB   SER  50           HB2      SER  50 -13.714  -1.340   8.402
  389   2HB   SER  50           HB1      SER  50 -14.102   0.322   8.001
  390    HG   SER  50           HG       SER  50 -15.898  -0.322   6.971
  391    H    ASN  51           HN       ASN  51 -14.270  -1.216   4.120
  392    HA   ASN  51           HA       ASN  51 -14.561  -4.117   4.356
  393   1HB   ASN  51           HB2      ASN  51 -16.295  -3.070   3.114
  394   2HB   ASN  51           HB1      ASN  51 -15.156  -2.079   2.206
  395   1HD2  ASN  51          HD22      ASN  51 -16.235  -5.596   0.662
  396   2HD2  ASN  51          HD21      ASN  51 -17.066  -4.841   1.932
  397    H    VAL  52           HN       VAL  52 -12.217  -1.879   3.206
  398    HA   VAL  52           HA       VAL  52 -10.794  -4.052   1.747
  399    HB   VAL  52           HB       VAL  52 -10.578  -1.031   1.583
  400   1HG1  VAL  52          HG13      VAL  52  -8.732  -3.209   0.671
  401   2HG1  VAL  52          HG12      VAL  52  -9.004  -1.867  -0.443
  402   3HG1  VAL  52          HG11      VAL  52  -8.366  -1.562   1.169
  403   1HG2  VAL  52          HG22      VAL  52 -11.641  -3.210  -0.226
  404   2HG2  VAL  52          HG21      VAL  52 -12.440  -1.731   0.309
  405   3HG2  VAL  52          HG23      VAL  52 -11.137  -1.654  -0.869
  406    H    ILE  53           HN       ILE  53  -8.614  -4.452   2.302
  407    HA   ILE  53           HA       ILE  53  -7.875  -3.508   5.046
  408    HB   ILE  53           HB       ILE  53  -6.576  -5.670   3.358
  409   1HG1  ILE  53          HG12      ILE  53  -8.903  -6.304   3.646
  410   2HG1  ILE  53          HG11      ILE  53  -7.925  -7.268   4.748
  411   1HG2  ILE  53          HG23      ILE  53  -5.478  -4.565   5.484
  412   2HG2  ILE  53          HG22      ILE  53  -6.618  -5.563   6.368
  413   3HG2  ILE  53          HG21      ILE  53  -5.442  -6.315   5.295
  414   1HD1  ILE  53          HD11      ILE  53  -8.443  -5.443   6.507
  415   2HD1  ILE  53          HD13      ILE  53  -9.711  -4.924   5.398
  416   3HD1  ILE  53          HD12      ILE  53  -9.745  -6.551   6.075
  417    H    PHE  54           HN       PHE  54  -6.468  -1.785   5.094
  418    HA   PHE  54           HA       PHE  54  -4.712  -1.283   2.729
  419   1HB   PHE  54           HB2      PHE  54  -5.301   0.426   5.168
  420   2HB   PHE  54           HB1      PHE  54  -4.269   0.902   3.827
  421    HD1  PHE  54           HD1      PHE  54  -7.739  -0.357   4.506
  422    HD2  PHE  54           HD2      PHE  54  -5.214   2.087   2.033
  423    HE1  PHE  54           HE1      PHE  54  -9.736   0.495   3.302
  424    HE2  PHE  54           HE2      PHE  54  -7.214   2.923   0.820
  425    HZ   PHE  54           HZ       PHE  54  -9.470   2.125   1.456
  426    H    LEU  55           HN       LEU  55  -2.599  -1.886   2.809
  427    HA   LEU  55           HA       LEU  55  -1.332  -2.431   5.476
  428   1HB   LEU  55           HB2      LEU  55  -0.679  -3.555   2.728
  429   2HB   LEU  55           HB1      LEU  55   0.369  -3.764   4.128
  430    HG   LEU  55           HG       LEU  55  -1.327  -5.045   5.282
  431   1HD1  LEU  55          HD13      LEU  55  -3.117  -4.086   3.066
  432   2HD1  LEU  55          HD12      LEU  55  -3.488  -5.582   3.925
  433   3HD1  LEU  55          HD11      LEU  55  -3.373  -4.069   4.808
  434   1HD2  LEU  55          HD23      LEU  55  -1.028  -5.860   2.378
  435   2HD2  LEU  55          HD22      LEU  55  -0.030  -6.369   3.740
  436   3HD2  LEU  55          HD21      LEU  55  -1.703  -6.913   3.623
  437    H    GLU  56           HN       GLU  56   0.611  -1.426   5.962
  438    HA   GLU  56           HA       GLU  56   1.570   0.635   3.996
  439   1HB   GLU  56           HB2      GLU  56   0.749   1.491   6.238
  440   2HB   GLU  56           HB1      GLU  56   2.046   0.568   6.998
  441   1HG   GLU  56           HG2      GLU  56   3.685   1.799   5.531
  442   2HG   GLU  56           HG1      GLU  56   2.350   2.814   4.983
  443    H    VAL  57           HN       VAL  57   3.605   0.292   3.195
  444    HA   VAL  57           HA       VAL  57   5.332  -1.752   4.574
  445    HB   VAL  57           HB       VAL  57   5.057  -1.294   1.593
  446   1HG1  VAL  57          HG12      VAL  57   6.578  -3.309   3.260
  447   2HG1  VAL  57          HG11      VAL  57   6.353  -3.446   1.517
  448   3HG1  VAL  57          HG13      VAL  57   7.267  -2.091   2.183
  449   1HG2  VAL  57          HG23      VAL  57   3.959  -3.434   3.422
  450   2HG2  VAL  57          HG22      VAL  57   3.036  -2.308   2.434
  451   3HG2  VAL  57          HG21      VAL  57   3.997  -3.573   1.666
  452    H    ASP  58           HN       ASP  58   7.422  -1.160   4.904
  453    HA   ASP  58           HA       ASP  58   8.293   1.546   4.002
  454   1HB   ASP  58           HB2      ASP  58   8.436   0.817   6.429
  455   2HB   ASP  58           HB1      ASP  58   9.662  -0.351   5.915
  456    H    VAL  59           HN       VAL  59   9.541   1.589   2.150
  457    HA   VAL  59           HA       VAL  59  10.665  -0.821   1.009
  458    HB   VAL  59           HB       VAL  59  11.898   0.762  -0.492
  459   1HG1  VAL  59          HG11      VAL  59   8.968   1.308   0.033
  460   2HG1  VAL  59          HG13      VAL  59   9.824   1.885  -1.398
  461   3HG1  VAL  59          HG12      VAL  59   9.643   0.153  -1.113
  462   1HG2  VAL  59          HG21      VAL  59  10.612   2.860   1.285
  463   2HG2  VAL  59          HG23      VAL  59  12.340   2.525   1.173
  464   3HG2  VAL  59          HG22      VAL  59  11.478   3.189  -0.216
  465    H    ASP  60           HN       ASP  60  11.699   1.403   3.448
  466    HA   ASP  60           HA       ASP  60  14.540   0.596   3.217
  467   1HB   ASP  60           HB2      ASP  60  13.011   2.594   4.857
  468   2HB   ASP  60           HB1      ASP  60  14.641   2.149   5.317
  469    H    ASP  61           HN       ASP  61  11.900   0.217   5.649
  470    HA   ASP  61           HA       ASP  61  13.688  -1.614   7.191
  471   1HB   ASP  61           HB2      ASP  61  10.883  -0.627   7.824
  472   2HB   ASP  61           HB1      ASP  61  11.898  -1.601   8.885
  473    H    ALA  62           HN       ALA  62  11.265  -1.684   4.820
  474    HA   ALA  62           HA       ALA  62  10.887  -4.626   5.217
  475   1HB   ALA  62           HB2      ALA  62   8.846  -2.955   5.582
  476   2HB   ALA  62           HB1      ALA  62   8.796  -2.975   3.820
  477   3HB   ALA  62           HB3      ALA  62   8.611  -4.478   4.725
  478    H    GLN  63           HN       GLN  63  12.953  -3.331   3.790
  479    HA   GLN  63           HA       GLN  63  12.487  -2.953   1.023
  480   1HB   GLN  63           HB2      GLN  63  14.877  -3.158   0.755
  481   2HB   GLN  63           HB1      GLN  63  14.591  -2.364   2.303
  482   1HG   GLN  63           HG2      GLN  63  14.739  -4.666   3.376
  483   2HG   GLN  63           HG1      GLN  63  15.337  -5.254   1.824
  484   1HE2  GLN  63          HE22      GLN  63  17.983  -3.636   4.268
  485   2HE2  GLN  63          HE21      GLN  63  16.510  -4.339   4.737
  486    H    ASP  64           HN       ASP  64  12.611  -5.877   2.884
  487    HA   ASP  64           HA       ASP  64  13.355  -7.656   0.767
  488   1HB   ASP  64           HB2      ASP  64  12.180  -9.388   2.205
  489   2HB   ASP  64           HB1      ASP  64  13.428  -8.460   3.032
  490    H    VAL  65           HN       VAL  65  10.250  -6.333   1.865
  491    HA   VAL  65           HA       VAL  65   8.634  -7.875   0.040
  492    HB   VAL  65           HB       VAL  65   7.969  -5.135   1.167
  493   1HG1  VAL  65          HG11      VAL  65   6.490  -6.182  -0.587
  494   2HG1  VAL  65          HG13      VAL  65   6.190  -7.507   0.538
  495   3HG1  VAL  65          HG12      VAL  65   5.682  -5.868   0.949
  496   1HG2  VAL  65          HG23      VAL  65   8.082  -7.818   2.515
  497   2HG2  VAL  65          HG22      VAL  65   8.508  -6.236   3.153
  498   3HG2  VAL  65          HG21      VAL  65   6.814  -6.691   2.981
  499    H    ALA  66           HN       ALA  66   9.945  -4.558  -0.020
  500    HA   ALA  66           HA       ALA  66   8.842  -3.900  -2.590
  501   1HB   ALA  66           HB2      ALA  66   9.790  -2.359  -0.679
  502   2HB   ALA  66           HB1      ALA  66  11.320  -2.562  -1.533
  503   3HB   ALA  66           HB3      ALA  66   9.932  -1.853  -2.362
  504    H    SER  67           HN       SER  67  11.983  -5.224  -1.592
  505    HA   SER  67           HA       SER  67  13.303  -4.932  -4.096
  506   1HB   SER  67           HB2      SER  67  14.791  -6.744  -3.308
  507   2HB   SER  67           HB1      SER  67  14.492  -5.565  -2.035
  508    HG   SER  67           HG       SER  67  13.260  -8.099  -2.399
  509    H    GLU  68           HN       GLU  68  11.143  -7.466  -2.896
  510    HA   GLU  68           HA       GLU  68  11.492  -9.274  -5.087
  511   1HB   GLU  68           HB2      GLU  68  10.404  -9.836  -2.911
  512   2HB   GLU  68           HB1      GLU  68   9.014  -8.861  -3.387
  513   1HG   GLU  68           HG2      GLU  68   8.472 -11.129  -3.942
  514   2HG   GLU  68           HG1      GLU  68   8.852 -10.331  -5.466
  515    H    ALA  69           HN       ALA  69   9.306  -6.537  -4.581
  516    HA   ALA  69           HA       ALA  69   7.946  -6.984  -7.136
  517   1HB   ALA  69           HB1      ALA  69   7.809  -4.780  -5.068
  518   2HB   ALA  69           HB3      ALA  69   6.841  -4.781  -6.542
  519   3HB   ALA  69           HB2      ALA  69   6.630  -6.060  -5.346
  520    H    GLU  70           HN       GLU  70  10.921  -5.738  -6.328
  521    HA   GLU  70           HA       GLU  70  12.439  -4.345  -7.444
  522   1HB   GLU  70           HB2      GLU  70  10.615  -4.949  -9.793
  523   2HB   GLU  70           HB1      GLU  70  12.214  -4.220  -9.909
  524   1HG   GLU  70           HG2      GLU  70  11.680  -6.928  -8.672
  525   2HG   GLU  70           HG1      GLU  70  12.200  -6.681 -10.338
  526    H    VAL  71           HN       VAL  71  10.650  -2.862  -5.982
  527    HA   VAL  71           HA       VAL  71   9.111  -1.001  -7.519
  528    HB   VAL  71           HB       VAL  71  10.468  -0.462  -4.852
  529   1HG1  VAL  71          HG13      VAL  71   8.049   0.700  -6.271
  530   2HG1  VAL  71          HG12      VAL  71   8.437   1.021  -4.583
  531   3HG1  VAL  71          HG11      VAL  71   9.545   1.538  -5.859
  532   1HG2  VAL  71          HG22      VAL  71   7.857  -1.866  -5.541
  533   2HG2  VAL  71          HG21      VAL  71   9.205  -2.510  -4.606
  534   3HG2  VAL  71          HG23      VAL  71   8.204  -1.223  -3.936
  535    H    LYS  72           HN       LYS  72   9.758   0.697  -8.728
  536    HA   LYS  72           HA       LYS  72  12.650   1.372  -8.749
  537   1HB   LYS  72           HB2      LYS  72  10.469   1.958 -10.761
  538   2HB   LYS  72           HB1      LYS  72  12.178   2.343 -10.964
  539   1HG   LYS  72           HG2      LYS  72  12.595  -0.188 -10.536
  540   2HG   LYS  72           HG1      LYS  72  10.872  -0.388 -10.853
  541   1HD   LYS  72           HD2      LYS  72  11.144   0.698 -13.052
  542   2HD   LYS  72           HD1      LYS  72  12.866   0.915 -12.736
  543   1HE   LYS  72           HE2      LYS  72  11.439  -1.760 -12.849
  544   2HE   LYS  72           HE1      LYS  72  12.441  -1.088 -14.136
  545   1HZ   LYS  72           HZ2      LYS  72  14.306  -1.033 -12.574
  546   2HZ   LYS  72           HZ1      LYS  72  13.332  -1.752 -11.382
  547   3HZ   LYS  72           HZ3      LYS  72  13.715  -2.611 -12.793
  548    H    ALA  73           HN       ALA  73   9.687   2.633  -7.602
  549    HA   ALA  73           HA       ALA  73  11.021   5.105  -6.839
  550   1HB   ALA  73           HB1      ALA  73  10.285   5.405  -9.274
  551   2HB   ALA  73           HB3      ALA  73   8.637   5.432  -8.645
  552   3HB   ALA  73           HB2      ALA  73   9.802   6.648  -8.128
  553    H    THR  74           HN       THR  74   9.733   6.397  -5.356
  554    HA   THR  74           HA       THR  74   7.235   5.078  -4.353
  555    HB   THR  74           HB       THR  74   7.963   5.464  -2.063
  556    HG1  THR  74           HG1      THR  74   9.599   7.201  -3.326
  557   1HG2  THR  74          HG23      THR  74  10.194   4.314  -3.725
  558   2HG2  THR  74          HG22      THR  74  10.080   4.168  -1.976
  559   3HG2  THR  74          HG21      THR  74   8.854   3.428  -3.007
  560    HA   PRO  75           HA       PRO  75   5.855   5.732  -2.505
  561   1HB   PRO  75           HB2      PRO  75   3.286   6.734  -2.555
  562   2HB   PRO  75           HB1      PRO  75   4.513   7.198  -1.366
  563   1HG   PRO  75           HG2      PRO  75   3.500   8.726  -3.706
  564   2HG   PRO  75           HG1      PRO  75   4.171   9.319  -2.179
  565   1HD   PRO  75           HD2      PRO  75   5.537   9.223  -4.656
  566   2HD   PRO  75           HD1      PRO  75   6.297   9.454  -3.057
  567    H    THR  76           HN       THR  76   4.894   3.873  -3.188
  568    HA   THR  76           HA       THR  76   3.484   3.895  -5.832
  569    HB   THR  76           HB       THR  76   5.354   1.730  -4.833
  570    HG1  THR  76           HG1      THR  76   5.704   3.344  -7.100
  571   1HG2  THR  76          HG22      THR  76   3.589   2.036  -7.257
  572   2HG2  THR  76          HG21      THR  76   5.021   1.010  -7.302
  573   3HG2  THR  76          HG23      THR  76   3.724   0.662  -6.159
  574    H    PHE  77           HN       PHE  77   1.607   2.821  -5.828
  575    HA   PHE  77           HA       PHE  77   0.804   1.371  -3.327
  576   1HB   PHE  77           HB2      PHE  77  -0.906   2.836  -5.363
  577   2HB   PHE  77           HB1      PHE  77  -1.504   2.019  -3.915
  578    HD1  PHE  77           HD1      PHE  77  -0.976   2.897  -1.661
  579    HD2  PHE  77           HD2      PHE  77   0.258   4.948  -5.231
  580    HE1  PHE  77           HE1      PHE  77  -0.505   4.935  -0.327
  581    HE2  PHE  77           HE2      PHE  77   0.727   6.988  -3.896
  582    HZ   PHE  77           HZ       PHE  77   0.347   6.979  -1.443
  583    H    GLN  78           HN       GLN  78   0.305  -0.767  -3.580
  584    HA   GLN  78           HA       GLN  78  -0.197  -1.772  -6.369
  585   1HB   GLN  78           HB2      GLN  78   1.349  -3.055  -4.102
  586   2HB   GLN  78           HB1      GLN  78   0.850  -3.916  -5.561
  587   1HG   GLN  78           HG2      GLN  78   2.044  -2.153  -6.911
  588   2HG   GLN  78           HG1      GLN  78   2.675  -1.503  -5.402
  589   1HE2  GLN  78          HE22      GLN  78   5.411  -3.692  -5.938
  590   2HE2  GLN  78          HE21      GLN  78   4.891  -2.077  -5.923
  591    H    PHE  79           HN       PHE  79  -1.885  -3.129  -6.614
  592    HA   PHE  79           HA       PHE  79  -3.649  -3.497  -4.224
  593   1HB   PHE  79           HB2      PHE  79  -4.240  -3.414  -7.191
  594   2HB   PHE  79           HB1      PHE  79  -5.443  -3.736  -5.939
  595    HD1  PHE  79           HD2      PHE  79  -2.994  -1.227  -7.185
  596    HD2  PHE  79           HD1      PHE  79  -6.313  -1.994  -4.579
  597    HE1  PHE  79           HE2      PHE  79  -3.178   1.199  -6.710
  598    HE2  PHE  79           HE1      PHE  79  -6.490   0.432  -4.087
  599    HZ   PHE  79           HZ       PHE  79  -4.927   2.029  -5.159
  600    H    PHE  80           HN       PHE  80  -4.117  -5.471  -3.523
  601    HA   PHE  80           HA       PHE  80  -3.505  -7.826  -5.256
  602   1HB   PHE  80           HB2      PHE  80  -2.883  -7.398  -2.335
  603   2HB   PHE  80           HB1      PHE  80  -2.942  -9.003  -3.058
  604    HD1  PHE  80           HD2      PHE  80  -1.125  -5.777  -2.956
  605    HD2  PHE  80           HD1      PHE  80  -1.294  -9.722  -4.673
  606    HE1  PHE  80           HE2      PHE  80   1.200  -5.528  -3.777
  607    HE2  PHE  80           HE1      PHE  80   1.031  -9.463  -5.492
  608    HZ   PHE  80           HZ       PHE  80   2.278  -7.366  -5.043
  609    H    LYS  81           HN       LYS  81  -4.913  -9.603  -5.014
  610    HA   LYS  81           HA       LYS  81  -7.176  -9.365  -3.120
  611   1HB   LYS  81           HB2      LYS  81  -7.721  -8.170  -5.369
  612   2HB   LYS  81           HB1      LYS  81  -7.758  -9.791  -6.059
  613   1HG   LYS  81           HG2      LYS  81  -9.426 -10.440  -4.304
  614   2HG   LYS  81           HG1      LYS  81  -9.458  -8.757  -3.778
  615   1HD   LYS  81           HD2      LYS  81  -9.998  -8.173  -6.224
  616   2HD   LYS  81           HD1      LYS  81 -10.326  -9.893  -6.437
  617   1HE   LYS  81           HE2      LYS  81 -12.050  -9.835  -4.737
  618   2HE   LYS  81           HE1      LYS  81 -11.647  -8.167  -4.327
  619   1HZ   LYS  81           HZ3      LYS  81 -12.435  -8.940  -7.066
  620   2HZ   LYS  81           HZ2      LYS  81 -13.595  -8.547  -5.888
  621   3HZ   LYS  81           HZ1      LYS  81 -12.437  -7.397  -6.361
  622    H    LYS  82           HN       LYS  82  -7.452 -11.397  -2.309
  623    HA   LYS  82           HA       LYS  82  -7.281 -13.724  -2.105
  624   1HB   LYS  82           HB2      LYS  82  -7.587 -13.580  -5.133
  625   2HB   LYS  82           HB1      LYS  82  -7.621 -15.066  -4.196
  626   1HG   LYS  82           HG2      LYS  82  -9.498 -13.961  -2.828
  627   2HG   LYS  82           HG1      LYS  82  -9.589 -12.776  -4.133
  628   1HD   LYS  82           HD2      LYS  82  -9.791 -14.768  -5.728
  629   2HD   LYS  82           HD1      LYS  82 -10.048 -15.762  -4.293
  630   1HE   LYS  82           HE2      LYS  82 -11.961 -14.329  -3.653
  631   2HE   LYS  82           HE1      LYS  82 -11.716 -13.364  -5.108
  632   1HZ   LYS  82           HZ2      LYS  82 -11.891 -16.206  -5.573
  633   2HZ   LYS  82           HZ1      LYS  82 -13.315 -15.515  -4.957
  634   3HZ   LYS  82           HZ3      LYS  82 -12.639 -14.922  -6.394
  635    H    GLY  83           HN       GLY  83  -4.904 -11.981  -2.486
  636   1HA   GLY  83           HA2      GLY  83  -2.592 -12.425  -2.446
  637   2HA   GLY  83           HA1      GLY  83  -2.947 -14.106  -2.842
  638    H    GLN  84           HN       GLN  84  -4.478 -11.876  -4.947
  639    HA   GLN  84           HA       GLN  84  -2.383 -12.380  -7.031
  640   1HB   GLN  84           HB2      GLN  84  -5.339 -11.862  -7.451
  641   2HB   GLN  84           HB1      GLN  84  -4.159 -12.241  -8.699
  642   1HG   GLN  84           HG2      GLN  84  -4.889 -14.087  -6.409
  643   2HG   GLN  84           HG1      GLN  84  -5.524 -14.218  -8.048
  644   1HE2  GLN  84          HE22      GLN  84  -1.612 -15.221  -7.334
  645   2HE2  GLN  84          HE21      GLN  84  -2.433 -14.210  -6.245
  646    H    LYS  85           HN       LYS  85  -1.504 -10.647  -8.064
  647    HA   LYS  85           HA       LYS  85  -2.207  -7.931  -7.164
  648   1HB   LYS  85           HB2      LYS  85   0.151  -8.700  -7.620
  649   2HB   LYS  85           HB1      LYS  85  -0.274  -8.815  -9.328
  650   1HG   LYS  85           HG2      LYS  85  -0.916  -6.405  -9.287
  651   2HG   LYS  85           HG1      LYS  85  -0.350  -6.316  -7.619
  652   1HD   LYS  85           HD2      LYS  85   1.893  -7.126  -8.397
  653   2HD   LYS  85           HD1      LYS  85   1.308  -7.013 -10.058
  654   1HE   LYS  85           HE2      LYS  85   0.799  -4.607  -9.677
  655   2HE   LYS  85           HE1      LYS  85   1.507  -4.738  -8.067
  656   1HZ   LYS  85           HZ3      LYS  85   3.417  -5.807  -9.639
  657   2HZ   LYS  85           HZ2      LYS  85   2.796  -4.580 -10.638
  658   3HZ   LYS  85           HZ1      LYS  85   3.399  -4.201  -9.095
  659    H    VAL  86           HN       VAL  86  -3.792  -6.774  -8.157
  660    HA   VAL  86           HA       VAL  86  -4.386  -7.339 -11.042
  661    HB   VAL  86           HB       VAL  86  -6.767  -6.769 -10.493
  662   1HG1  VAL  86          HG11      VAL  86  -5.805  -9.134 -10.589
  663   2HG1  VAL  86          HG13      VAL  86  -5.733  -9.081  -8.827
  664   3HG1  VAL  86          HG12      VAL  86  -7.287  -8.953  -9.651
  665   1HG2  VAL  86          HG22      VAL  86  -6.132  -5.543  -8.353
  666   2HG2  VAL  86          HG21      VAL  86  -7.476  -6.671  -8.194
  667   3HG2  VAL  86          HG23      VAL  86  -5.872  -7.124  -7.617
  668    H    GLY  87           HN       GLY  87  -2.820  -5.131  -9.408
  669   1HA   GLY  87           HA2      GLY  87  -3.352  -3.020 -11.252
  670   2HA   GLY  87           HA1      GLY  87  -4.256  -2.687  -9.779
  671    H    GLU  88           HN       GLU  88  -2.089  -1.115 -10.835
  672    HA   GLU  88           HA       GLU  88  -0.531  -0.785  -8.428
  673   1HB   GLU  88           HB2      GLU  88   1.005  -2.416  -8.961
  674   2HB   GLU  88           HB1      GLU  88   0.541  -2.433 -10.651
  675   1HG   GLU  88           HG2      GLU  88   2.874  -1.697 -10.356
  676   2HG   GLU  88           HG1      GLU  88   1.901  -0.407 -11.054
  677    H    PHE  89           HN       PHE  89   0.600   1.243  -8.480
  678    HA   PHE  89           HA       PHE  89   0.982   2.710 -10.927
  679   1HB   PHE  89           HB2      PHE  89  -0.742   4.308 -10.884
  680   2HB   PHE  89           HB1      PHE  89  -1.569   2.798 -10.539
  681    HD1  PHE  89           HD1      PHE  89  -0.008   5.761  -8.880
  682    HD2  PHE  89           HD2      PHE  89  -2.876   2.578  -8.579
  683    HE1  PHE  89           HE1      PHE  89  -0.894   6.763  -6.794
  684    HE2  PHE  89           HE2      PHE  89  -3.766   3.581  -6.489
  685    HZ   PHE  89           HZ       PHE  89  -2.784   5.682  -5.606
  686    H    SER  90           HN       SER  90   1.918   4.876 -10.508
  687    HA   SER  90           HA       SER  90   2.945   5.189  -7.699
  688   1HB   SER  90           HB2      SER  90   5.076   5.965  -8.659
  689   2HB   SER  90           HB1      SER  90   4.726   4.309  -9.162
  690    HG   SER  90           HG       SER  90   4.527   4.980 -11.157
  691    H    GLY  91           HN       GLY  91   3.654   7.420  -7.208
  692   1HA   GLY  91           HA2      GLY  91   3.694   9.802  -8.054
  693   2HA   GLY  91           HA1      GLY  91   2.129   9.485  -8.786
  694    H    ALA  92           HN       ALA  92   3.032  11.422  -6.591
  695    HA   ALA  92           HA       ALA  92   1.708  10.468  -4.173
  696   1HB   ALA  92           HB3      ALA  92   2.684  13.197  -5.044
  697   2HB   ALA  92           HB2      ALA  92   1.971  12.891  -3.466
  698   3HB   ALA  92           HB1      ALA  92   3.474  12.092  -3.926
  699    H    ASN  93           HN       ASN  93  -0.273   9.937  -5.715
  700    HA   ASN  93           HA       ASN  93  -2.169  12.268  -5.663
  701   1HB   ASN  93           HB2      ASN  93  -1.582  11.323  -7.953
  702   2HB   ASN  93           HB1      ASN  93  -2.359   9.824  -7.442
  703   1HD2  ASN  93          HD22      ASN  93  -5.222  12.588  -7.019
  704   2HD2  ASN  93          HD21      ASN  93  -3.952  12.379  -5.913
  705    H    LYS  94           HN       LYS  94  -3.047  11.863  -3.619
  706    HA   LYS  94           HA       LYS  94  -3.692   9.226  -2.646
  707   1HB   LYS  94           HB2      LYS  94  -5.014  10.500  -0.946
  708   2HB   LYS  94           HB1      LYS  94  -3.325  10.976  -1.067
  709   1HG   LYS  94           HG2      LYS  94  -5.012  12.530  -2.911
  710   2HG   LYS  94           HG1      LYS  94  -5.574  12.688  -1.251
  711   1HD   LYS  94           HD2      LYS  94  -3.191  13.234  -0.592
  712   2HD   LYS  94           HD1      LYS  94  -2.799  13.286  -2.316
  713   1HE   LYS  94           HE2      LYS  94  -4.945  14.945  -0.963
  714   2HE   LYS  94           HE1      LYS  94  -3.344  15.538  -1.409
  715   1HZ   LYS  94           HZ2      LYS  94  -3.944  14.697  -3.728
  716   2HZ   LYS  94           HZ1      LYS  94  -5.548  14.675  -3.169
  717   3HZ   LYS  94           HZ3      LYS  94  -4.681  16.132  -3.193
  718    H    GLU  95           HN       GLU  95  -5.563  11.647  -4.443
  719    HA   GLU  95           HA       GLU  95  -8.144  10.500  -4.009
  720   1HB   GLU  95           HB2      GLU  95  -7.066  12.030  -6.396
  721   2HB   GLU  95           HB1      GLU  95  -8.769  11.711  -6.086
  722   1HG   GLU  95           HG2      GLU  95  -6.955  13.183  -4.161
  723   2HG   GLU  95           HG1      GLU  95  -8.014  13.984  -5.323
  724    H    LYS  96           HN       LYS  96  -5.534   9.735  -6.179
  725    HA   LYS  96           HA       LYS  96  -6.907   8.109  -8.048
  726   1HB   LYS  96           HB2      LYS  96  -4.527   8.977  -8.117
  727   2HB   LYS  96           HB1      LYS  96  -4.097   7.671  -7.027
  728   1HG   LYS  96           HG2      LYS  96  -4.583   6.002  -8.613
  729   2HG   LYS  96           HG1      LYS  96  -5.547   7.096  -9.609
  730   1HD   LYS  96           HD2      LYS  96  -3.531   8.376 -10.187
  731   2HD   LYS  96           HD1      LYS  96  -2.553   7.314  -9.175
  732   1HE   LYS  96           HE2      LYS  96  -3.141   5.392 -10.590
  733   2HE   LYS  96           HE1      LYS  96  -4.174   6.424 -11.581
  734   1HZ   LYS  96           HZ1      LYS  96  -1.784   7.733 -11.501
  735   2HZ   LYS  96           HZ3      LYS  96  -1.337   6.103 -11.644
  736   3HZ   LYS  96           HZ2      LYS  96  -2.371   6.803 -12.796
  737    H    LEU  97           HN       LEU  97  -5.630   7.405  -4.832
  738    HA   LEU  97           HA       LEU  97  -5.838   4.566  -4.876
  739   1HB   LEU  97           HB2      LEU  97  -6.246   6.592  -2.658
  740   2HB   LEU  97           HB1      LEU  97  -6.251   4.859  -2.375
  741    HG   LEU  97           HG       LEU  97  -3.948   6.273  -3.717
  742   1HD1  LEU  97          HD11      LEU  97  -4.387   5.693  -0.779
  743   2HD1  LEU  97          HD13      LEU  97  -2.852   6.218  -1.469
  744   3HD1  LEU  97          HD12      LEU  97  -4.258   7.280  -1.524
  745   1HD2  LEU  97          HD23      LEU  97  -4.569   3.501  -3.232
  746   2HD2  LEU  97          HD22      LEU  97  -3.089   4.172  -3.899
  747   3HD2  LEU  97          HD21      LEU  97  -3.232   3.927  -2.166
  748    H    GLU  98           HN       GLU  98  -8.152   7.123  -4.262
  749    HA   GLU  98           HA       GLU  98 -10.313   5.489  -3.340
  750   1HB   GLU  98           HB2      GLU  98 -10.203   7.962  -3.104
  751   2HB   GLU  98           HB1      GLU  98 -10.482   8.113  -4.838
  752   1HG   GLU  98           HG2      GLU  98 -12.637   6.877  -4.567
  753   2HG   GLU  98           HG1      GLU  98 -12.365   6.847  -2.825
  754    H    ALA  99           HN       ALA  99  -9.491   6.580  -6.633
  755    HA   ALA  99           HA       ALA  99 -11.867   5.479  -7.816
  756   1HB   ALA  99           HB1      ALA  99  -9.179   6.188  -9.012
  757   2HB   ALA  99           HB3      ALA  99 -10.568   5.679  -9.972
  758   3HB   ALA  99           HB2      ALA  99 -10.649   7.163  -9.023
  759    H    THR 100           HN       THR 100  -8.572   4.114  -7.508
  760    HA   THR 100           HA       THR 100  -9.196   1.744  -8.992
  761    HB   THR 100           HB       THR 100  -7.129   1.979  -6.791
  762    HG1  THR 100           HG1      THR 100  -7.045   3.646  -8.441
  763   1HG2  THR 100          HG23      THR 100  -7.475   0.201  -9.218
  764   2HG2  THR 100          HG22      THR 100  -5.959   0.328  -8.331
  765   3HG2  THR 100          HG21      THR 100  -7.402  -0.292  -7.527
  766    H    ILE 101           HN       ILE 101  -9.452   2.519  -5.535
  767    HA   ILE 101           HA       ILE 101 -10.108  -0.109  -4.590
  768    HB   ILE 101           HB       ILE 101 -10.919   2.658  -3.632
  769   1HG1  ILE 101          HG12      ILE 101  -9.059   0.681  -2.298
  770   2HG1  ILE 101          HG11      ILE 101  -8.476   1.779  -3.546
  771   1HG2  ILE 101          HG23      ILE 101 -11.520  -0.067  -2.488
  772   2HG2  ILE 101          HG22      ILE 101 -11.468   1.371  -1.469
  773   3HG2  ILE 101          HG21      ILE 101 -12.636   1.263  -2.785
  774   1HD1  ILE 101          HD13      ILE 101  -9.336   3.701  -2.219
  775   2HD1  ILE 101          HD12      ILE 101  -9.834   2.579  -0.955
  776   3HD1  ILE 101          HD11      ILE 101  -8.124   2.774  -1.337
  777    H    ASN 102           HN       ASN 102 -12.181   2.582  -5.645
  778    HA   ASN 102           HA       ASN 102 -14.669   1.210  -5.457
  779   1HB   ASN 102           HB2      ASN 102 -14.403   3.679  -5.793
  780   2HB   ASN 102           HB1      ASN 102 -13.864   3.364  -7.442
  781   1HD2  ASN 102          HD22      ASN 102 -17.781   3.553  -6.715
  782   2HD2  ASN 102          HD21      ASN 102 -16.591   4.108  -5.639
  783    H    GLU 103           HN       GLU 103 -12.192   1.351  -7.930
  784    HA   GLU 103           HA       GLU 103 -13.674   0.075 -10.022
  785   1HB   GLU 103           HB2      GLU 103 -11.489   1.405 -10.178
  786   2HB   GLU 103           HB1      GLU 103 -10.682  -0.043  -9.590
  787   1HG   GLU 103           HG2      GLU 103 -12.481  -0.064 -12.022
  788   2HG   GLU 103           HG1      GLU 103 -10.742   0.207 -12.119
  789    H    LEU 104           HN       LEU 104 -11.531  -1.188  -7.464
  790    HA   LEU 104           HA       LEU 104 -12.073  -3.971  -8.378
  791   1HB   LEU 104           HB2      LEU 104 -10.145  -2.836  -6.361
  792   2HB   LEU 104           HB1      LEU 104 -10.319  -4.556  -6.669
  793    HG   LEU 104           HG       LEU 104  -9.562  -2.482  -8.749
  794   1HD1  LEU 104          HD11      LEU 104  -7.866  -4.456  -7.195
  795   2HD1  LEU 104          HD13      LEU 104  -7.295  -3.500  -8.564
  796   3HD1  LEU 104          HD12      LEU 104  -7.801  -2.697  -7.078
  797   1HD2  LEU 104          HD22      LEU 104  -9.947  -5.477  -8.784
  798   2HD2  LEU 104          HD21      LEU 104 -10.452  -4.279  -9.976
  799   3HD2  LEU 104          HD23      LEU 104  -8.759  -4.747  -9.862
  800    H    VAL 105           HN       VAL 105 -13.523  -1.820  -6.230
  801    HA   VAL 105           HA       VAL 105 -13.857  -3.537  -3.946
  802    HB   VAL 105           HB       VAL 105 -14.397  -1.039  -4.025
  803   1HG1  VAL 105          HG13      VAL 105 -15.848  -1.391  -6.145
  804   2HG1  VAL 105          HG12      VAL 105 -17.098  -1.941  -5.040
  805   3HG1  VAL 105          HG11      VAL 105 -16.465  -0.299  -4.911
  806   1HG2  VAL 105          HG22      VAL 105 -15.037  -2.567  -2.152
  807   2HG2  VAL 105          HG21      VAL 105 -16.210  -1.270  -2.386
  808   3HG2  VAL 105          HG23      VAL 105 -16.562  -2.895  -2.974
  809    HA   PRO  59           HA       PRO 106  14.935  15.385 -12.961
  810   1HB   PRO  59           HB2      PRO 106  17.230  14.504 -11.683
  811   2HB   PRO  59           HB1      PRO 106  17.190  15.093 -13.358
  812   1HG   PRO  59           HG2      PRO 106  17.985  16.538 -10.866
  813   2HG   PRO  59           HG1      PRO 106  18.736  16.565 -12.474
  814   1HD   PRO  59           HD2      PRO 106  17.124  18.575 -11.622
  815   2HD   PRO  59           HD1      PRO 106  17.173  18.073 -13.328
  816    H    ALA  60           HN       ALA 107  15.243  17.036  -9.929
  817    HA   ALA  60           HA       ALA 107  14.401  14.610  -8.404
  818   1HB   ALA  60           HB2      ALA 107  15.197  17.379  -7.449
  819   2HB   ALA  60           HB1      ALA 107  14.804  16.010  -6.408
  820   3HB   ALA  60           HB3      ALA 107  16.230  15.950  -7.445
  821    H    THR  61           HN       THR 108  12.255  14.304  -8.301
  822    HA   THR  61           HA       THR 108  10.416  16.677  -8.354
  823    HB   THR  61           HB       THR 108   9.776  13.764  -8.914
  824    HG1  THR  61           HG1      THR 108  11.286  14.838 -10.388
  825   1HG2  THR  61          HG22      THR 108   7.901  15.278  -8.218
  826   2HG2  THR  61          HG21      THR 108   8.276  16.302  -9.603
  827   3HG2  THR  61          HG23      THR 108   7.726  14.646  -9.855
  828    H    LEU  62           HN       LEU 109   9.269  17.090  -6.511
  829    HA   LEU  62           HA       LEU 109   9.718  15.585  -4.102
  830   1HB   LEU  62           HB2      LEU 109   7.667  17.691  -4.826
  831   2HB   LEU  62           HB1      LEU 109   7.825  17.021  -3.205
  832    HG   LEU  62           HG       LEU 109  10.207  18.221  -4.629
  833   1HD1  LEU  62          HD13      LEU 109   8.089  19.643  -2.992
  834   2HD1  LEU  62          HD12      LEU 109   9.672  20.332  -3.353
  835   3HD1  LEU  62          HD11      LEU 109   8.545  19.977  -4.663
  836   1HD2  LEU  62          HD21      LEU 109   9.456  17.725  -1.727
  837   2HD2  LEU  62          HD23      LEU 109  10.777  16.985  -2.631
  838   3HD2  LEU  62          HD22      LEU 109  10.844  18.692  -2.212
  839    H    LYS  63           HN       LYS 110   7.175  15.546  -6.531
  840    HA   LYS  63           HA       LYS 110   5.220  14.068  -5.091
  841   1HB   LYS  63           HB2      LYS 110   5.860  14.033  -8.055
  842   2HB   LYS  63           HB1      LYS 110   4.383  13.399  -7.338
  843   1HG   LYS  63           HG2      LYS 110   5.236  16.257  -6.856
  844   2HG   LYS  63           HG1      LYS 110   4.336  15.816  -8.304
  845   1HD   LYS  63           HD2      LYS 110   2.612  14.743  -6.758
  846   2HD   LYS  63           HD1      LYS 110   3.452  15.530  -5.421
  847   1HE   LYS  63           HE2      LYS 110   3.099  17.724  -6.510
  848   2HE   LYS  63           HE1      LYS 110   2.236  16.921  -7.823
  849   1HZ   LYS  63           HZ1      LYS 110   1.434  16.634  -4.989
  850   2HZ   LYS  63           HZ3      LYS 110   0.829  17.870  -5.979
  851   3HZ   LYS  63           HZ2      LYS 110   0.536  16.245  -6.378
  852    H    ILE  64           HN       ILE 111   8.205  13.083  -6.587
  853    HA   ILE  64           HA       ILE 111   7.666  10.238  -5.774
  854    HB   ILE  64           HB       ILE 111   9.068  11.291  -8.256
  855   1HG1  ILE  64          HG12      ILE 111   6.636  11.215  -8.469
  856   2HG1  ILE  64          HG11      ILE 111   7.356   9.940  -9.443
  857   1HG2  ILE  64          HG21      ILE 111   8.988   8.532  -7.050
  858   2HG2  ILE  64          HG23      ILE 111   9.265   8.785  -8.774
  859   3HG2  ILE  64          HG22      ILE 111  10.394   9.452  -7.593
  860   1HD1  ILE  64          HD11      ILE 111   6.980   8.516  -7.200
  861   2HD1  ILE  64          HD13      ILE 111   5.726   9.728  -6.945
  862   3HD1  ILE  64          HD12      ILE 111   5.701   8.718  -8.388
  863    H    CYS  65           HN       CYS 112   9.371   9.253  -4.658
  864    HA   CYS  65           HA       CYS 112  11.719  10.984  -4.037
  865   1HB   CYS  65           HB2      CYS 112  11.045   8.386  -2.641
  866   2HB   CYS  65           HB1      CYS 112  12.033   9.712  -2.048
  867    H    SER  66           HN       SER 113  13.669  10.438  -4.967
  868    HA   SER  66           HA       SER 113  13.751   8.143  -6.770
  869   1HB   SER  66           HB2      SER 113  15.896  10.137  -5.986
  870   2HB   SER  66           HB1      SER 113  16.060   8.932  -7.260
  871    HG   SER  66           HG       SER 113  13.976  10.856  -7.142
  872    H    TRP  67           HN       TRP 114  14.936   6.249  -6.546
  873    HA   TRP  67           HA       TRP 114  15.617   5.435  -3.828
  874   1HB   TRP  67           HB2      TRP 114  15.837   4.033  -6.504
  875   2HB   TRP  67           HB1      TRP 114  16.314   3.286  -4.978
  876    HD1  TRP  67           HD1      TRP 114  13.226   5.308  -6.144
  877    HE1  TRP  67           HE1      TRP 114  11.119   4.119  -5.275
  878    HE3  TRP  67           HE3      TRP 114  15.347   1.328  -3.767
  879    HZ2  TRP  67           HZ2      TRP 114  10.437   1.814  -3.746
  880    HZ3  TRP  67           HZ3      TRP 114  13.954  -0.347  -2.614
  881    HH2  TRP  67           HH2      TRP 114  11.488  -0.118  -2.611
  882    H    ASN  68           HN       ASN 115  17.276   7.007  -6.352
  883    HA   ASN  68           HA       ASN 115  19.905   5.974  -6.159
  884   1HB   ASN  68           HB2      ASN 115  18.947   8.827  -6.587
  885   2HB   ASN  68           HB1      ASN 115  20.630   8.323  -6.763
  886   1HD2  ASN  68          HD22      ASN 115  18.652   5.998  -9.355
  887   2HD2  ASN  68          HD21      ASN 115  18.674   5.725  -7.678
  888    H    VAL  69           HN       VAL 116  17.972   7.402  -3.798
  889    HA   VAL  69           HA       VAL 116  19.913   8.791  -2.210
  890    HB   VAL  69           HB       VAL 116  18.269   8.414  -0.354
  891   1HG1  VAL  69          HG13      VAL 116  17.140   9.247  -3.044
  892   2HG1  VAL  69          HG12      VAL 116  16.401   9.613  -1.486
  893   3HG1  VAL  69          HG11      VAL 116  17.975  10.290  -1.895
  894   1HG2  VAL  69          HG23      VAL 116  16.925   6.724  -2.485
  895   2HG2  VAL  69          HG22      VAL 116  17.493   6.174  -0.915
  896   3HG2  VAL  69          HG21      VAL 116  16.115   7.266  -1.023
  897    H    ASP  70           HN       ASP 117  21.444   7.997  -0.792
  898    HA   ASP  70           HA       ASP 117  22.238   5.264  -0.913
  899   1HB   ASP  70           HB2      ASP 117  22.826   7.417   1.136
  900   2HB   ASP  70           HB1      ASP 117  23.585   5.825   1.160
  901    H    GLY  71           HN       GLY 118  20.185   7.021   1.366
  902   1HA   GLY  71           HA2      GLY 118  18.476   6.117   2.736
  903   2HA   GLY  71           HA1      GLY 118  18.951   4.499   2.213
   
  No H/Q in entry =         903
  Start of MODEL   10
    1   1H    MET   1           HT2      MET   1  -8.769  -1.227   8.213
    2   2H    MET   1           HT1      MET   1  -9.840  -1.352   9.530
    3   3H    MET   1           HT3      MET   1  -9.167   0.152   9.125
    4    HA   MET   1           HA       MET   1  -7.787  -0.367  10.827
    5   1HB   MET   1           HB2      MET   1  -9.015  -2.524  11.230
    6   2HB   MET   1           HB1      MET   1  -8.001  -3.282  10.008
    7   1HG   MET   1           HG2      MET   1  -6.996  -3.757  12.138
    8   2HG   MET   1           HG1      MET   1  -5.988  -2.537  11.365
    9   1HE   MET   1           HE1      MET   1  -5.632  -3.132  14.161
   10   2HE   MET   1           HE3      MET   1  -4.864  -1.640  13.605
   11   3HE   MET   1           HE2      MET   1  -5.780  -1.656  15.110
   12    H    VAL   2           HN       VAL   2  -5.567  -0.111  10.639
   13    HA   VAL   2           HA       VAL   2  -4.381  -0.645   7.951
   14    HB   VAL   2           HB       VAL   2  -3.523   1.105  10.277
   15   1HG1  VAL   2          HG13      VAL   2  -2.114   0.412   7.690
   16   2HG1  VAL   2          HG12      VAL   2  -1.753   1.874   8.601
   17   3HG1  VAL   2          HG11      VAL   2  -1.483   0.293   9.329
   18   1HG2  VAL   2          HG21      VAL   2  -5.396   1.865   8.777
   19   2HG2  VAL   2          HG23      VAL   2  -3.980   2.911   8.719
   20   3HG2  VAL   2          HG22      VAL   2  -4.280   1.767   7.416
   21    H    LYS   3           HN       LYS   3  -2.475  -1.921   7.729
   22    HA   LYS   3           HA       LYS   3  -1.509  -3.354  10.187
   23   1HB   LYS   3           HB2      LYS   3  -3.027  -4.794   8.767
   24   2HB   LYS   3           HB1      LYS   3  -1.917  -4.562   7.425
   25   1HG   LYS   3           HG2      LYS   3  -1.220  -6.618   8.318
   26   2HG   LYS   3           HG1      LYS   3  -0.100  -5.486   9.069
   27   1HD   LYS   3           HD2      LYS   3  -1.448  -5.450  11.108
   28   2HD   LYS   3           HD1      LYS   3  -2.657  -6.478  10.349
   29   1HE   LYS   3           HE2      LYS   3   0.236  -7.300  10.718
   30   2HE   LYS   3           HE1      LYS   3  -1.042  -7.699  11.863
   31   1HZ   LYS   3           HZ3      LYS   3  -1.132  -8.391   8.979
   32   2HZ   LYS   3           HZ2      LYS   3  -0.589  -9.450  10.192
   33   3HZ   LYS   3           HZ1      LYS   3  -2.199  -8.909  10.192
   34    H    GLN   4           HN       GLN   4   0.685  -3.178  10.385
   35    HA   GLN   4           HA       GLN   4   2.210  -2.074   8.076
   36   1HB   GLN   4           HB2      GLN   4   2.432  -0.937  10.265
   37   2HB   GLN   4           HB1      GLN   4   3.029  -2.436  10.979
   38   1HG   GLN   4           HG2      GLN   4   4.948  -2.434   9.436
   39   2HG   GLN   4           HG1      GLN   4   4.332  -0.969   8.663
   40   1HE2  GLN   4          HE22      GLN   4   6.203   0.965  10.929
   41   2HE2  GLN   4          HE21      GLN   4   5.753   0.666   9.317
   42    H    ILE   5           HN       ILE   5   3.440  -3.410   6.880
   43    HA   ILE   5           HA       ILE   5   4.074  -6.149   7.911
   44    HB   ILE   5           HB       ILE   5   4.317  -5.080   5.094
   45   1HG1  ILE   5          HG12      ILE   5   1.990  -4.834   5.747
   46   2HG1  ILE   5          HG11      ILE   5   2.129  -6.248   4.706
   47   1HG2  ILE   5          HG22      ILE   5   4.207  -7.855   6.298
   48   2HG2  ILE   5          HG21      ILE   5   4.127  -7.513   4.572
   49   3HG2  ILE   5          HG23      ILE   5   5.578  -7.104   5.479
   50   1HD1  ILE   5          HD11      ILE   5   2.360  -7.615   6.883
   51   2HD1  ILE   5          HD13      ILE   5   1.775  -6.169   7.706
   52   3HD1  ILE   5          HD12      ILE   5   0.764  -6.970   6.507
   53    H    GLU   6           HN       GLU   6   6.111  -6.260   8.772
   54    HA   GLU   6           HA       GLU   6   8.208  -4.395   7.768
   55   1HB   GLU   6           HB2      GLU   6   8.202  -6.259  10.155
   56   2HB   GLU   6           HB1      GLU   6   9.463  -5.092   9.757
   57   1HG   GLU   6           HG2      GLU   6   6.582  -4.296  10.213
   58   2HG   GLU   6           HG1      GLU   6   7.792  -4.306  11.493
   59    H    SER   7           HN       SER   7   7.114  -7.450   7.030
   60    HA   SER   7           HA       SER   7   9.735  -8.133   5.834
   61   1HB   SER   7           HB2      SER   7   9.737 -10.410   6.798
   62   2HB   SER   7           HB1      SER   7   9.863  -9.178   8.057
   63    HG   SER   7           HG       SER   7   7.571  -9.395   8.314
   64    H    LYS   8           HN       LYS   8   9.579  -9.785   4.209
   65    HA   LYS   8           HA       LYS   8   7.128  -9.759   2.701
   66   1HB   LYS   8           HB2      LYS   8   9.490 -10.169   1.798
   67   2HB   LYS   8           HB1      LYS   8   9.349 -11.791   2.474
   68   1HG   LYS   8           HG2      LYS   8   7.306 -12.173   1.146
   69   2HG   LYS   8           HG1      LYS   8   7.460 -10.562   0.457
   70   1HD   LYS   8           HD2      LYS   8   8.356 -12.272  -1.084
   71   2HD   LYS   8           HD1      LYS   8   9.626 -11.175  -0.542
   72   1HE   LYS   8           HE2      LYS   8  10.061 -13.766  -0.527
   73   2HE   LYS   8           HE1      LYS   8  10.614 -12.786   0.833
   74   1HZ   LYS   8           HZ2      LYS   8   7.930 -14.021   0.835
   75   2HZ   LYS   8           HZ1      LYS   8   9.294 -14.906   1.318
   76   3HZ   LYS   8           HZ3      LYS   8   8.863 -13.497   2.155
   77    H    THR   9           HN       THR   9   8.505 -11.908   5.111
   78    HA   THR   9           HA       THR   9   6.865 -14.177   4.680
   79    HB   THR   9           HB       THR   9   7.854 -13.106   7.335
   80    HG1  THR   9           HG1      THR   9   9.741 -13.772   6.732
   81   1HG2  THR   9          HG21      THR   9   6.910 -15.826   6.408
   82   2HG2  THR   9          HG23      THR   9   7.870 -15.600   7.871
   83   3HG2  THR   9          HG22      THR   9   6.276 -14.853   7.740
   84    H    ALA  10           HN       ALA  10   6.315 -11.344   6.768
   85    HA   ALA  10           HA       ALA  10   3.668 -12.200   7.547
   86   1HB   ALA  10           HB1      ALA  10   5.127  -9.554   7.683
   87   2HB   ALA  10           HB3      ALA  10   3.443  -9.712   8.191
   88   3HB   ALA  10           HB2      ALA  10   4.700 -10.639   9.011
   89    H    PHE  11           HN       PHE  11   4.983 -10.408   4.828
   90    HA   PHE  11           HA       PHE  11   2.598  -9.132   3.915
   91   1HB   PHE  11           HB2      PHE  11   4.963  -8.857   2.966
   92   2HB   PHE  11           HB1      PHE  11   4.740 -10.396   2.161
   93    HD1  PHE  11           HD1      PHE  11   2.903  -7.141   2.616
   94    HD2  PHE  11           HD2      PHE  11   3.943 -10.360  -0.036
   95    HE1  PHE  11           HE1      PHE  11   1.725  -5.998   0.759
   96    HE2  PHE  11           HE2      PHE  11   2.758  -9.220  -1.886
   97    HZ   PHE  11           HZ       PHE  11   1.650  -7.043  -1.493
   98    H    GLN  12           HN       GLN  12   3.938 -12.347   3.268
   99    HA   GLN  12           HA       GLN  12   1.860 -13.232   1.499
  100   1HB   GLN  12           HB2      GLN  12   3.659 -14.787   3.398
  101   2HB   GLN  12           HB1      GLN  12   2.723 -15.494   2.085
  102   1HG   GLN  12           HG2      GLN  12   4.844 -13.359   1.729
  103   2HG   GLN  12           HG1      GLN  12   5.096 -15.084   1.450
  104   1HE2  GLN  12          HE22      GLN  12   3.952 -13.196  -1.693
  105   2HE2  GLN  12          HE21      GLN  12   5.078 -12.752  -0.502
  106    H    GLU  13           HN       GLU  13   2.331 -13.504   5.000
  107    HA   GLU  13           HA       GLU  13  -0.029 -15.026   5.557
  108   1HB   GLU  13           HB2      GLU  13   1.557 -13.101   7.284
  109   2HB   GLU  13           HB1      GLU  13   0.317 -14.184   7.896
  110   1HG   GLU  13           HG2      GLU  13   2.796 -15.094   6.406
  111   2HG   GLU  13           HG1      GLU  13   2.623 -15.115   8.159
  112    H    ALA  14           HN       ALA  14   0.551 -11.544   5.321
  113    HA   ALA  14           HA       ALA  14  -2.012 -10.765   6.366
  114   1HB   ALA  14           HB1      ALA  14   0.050  -9.281   6.061
  115   2HB   ALA  14           HB3      ALA  14  -0.383  -9.202   4.354
  116   3HB   ALA  14           HB2      ALA  14  -1.492  -8.572   5.574
  117    H    LEU  15           HN       LEU  15  -0.794 -11.368   3.091
  118    HA   LEU  15           HA       LEU  15  -3.130 -10.602   1.671
  119   1HB   LEU  15           HB2      LEU  15  -1.008 -12.682   1.083
  120   2HB   LEU  15           HB1      LEU  15  -2.249 -12.205  -0.076
  121    HG   LEU  15           HG       LEU  15  -0.340 -10.248   1.230
  122   1HD1  LEU  15          HD11      LEU  15  -0.112 -11.844  -1.317
  123   2HD1  LEU  15          HD13      LEU  15   0.674 -10.270  -1.168
  124   3HD1  LEU  15          HD12      LEU  15   1.099 -11.578  -0.065
  125   1HD2  LEU  15          HD22      LEU  15  -2.481 -10.051  -0.873
  126   2HD2  LEU  15          HD21      LEU  15  -2.090  -8.943   0.438
  127   3HD2  LEU  15          HD23      LEU  15  -1.074  -8.996  -0.998
  128    H    ASP  16           HN       ASP  16  -2.163 -13.645   3.181
  129    HA   ASP  16           HA       ASP  16  -4.429 -15.173   2.306
  130   1HB   ASP  16           HB2      ASP  16  -2.269 -16.127   3.202
  131   2HB   ASP  16           HB1      ASP  16  -2.797 -15.637   4.815
  132    H    ALA  17           HN       ALA  17  -3.799 -13.183   5.144
  133    HA   ALA  17           HA       ALA  17  -6.121 -13.976   6.623
  134   1HB   ALA  17           HB2      ALA  17  -4.130 -12.799   7.577
  135   2HB   ALA  17           HB1      ALA  17  -4.650 -11.331   6.751
  136   3HB   ALA  17           HB3      ALA  17  -5.659 -12.040   8.012
  137    H    ALA  18           HN       ALA  18  -5.561 -11.364   4.300
  138    HA   ALA  18           HA       ALA  18  -8.044 -10.008   4.649
  139   1HB   ALA  18           HB3      ALA  18  -6.339 -10.330   2.163
  140   2HB   ALA  18           HB2      ALA  18  -7.651  -9.166   2.338
  141   3HB   ALA  18           HB1      ALA  18  -6.213  -9.033   3.352
  142    H    GLY  19           HN       GLY  19  -7.177 -12.900   2.832
  143   1HA   GLY  19           HA2      GLY  19  -8.561 -14.544   1.887
  144   2HA   GLY  19           HA1      GLY  19  -9.925 -13.762   2.690
  145    H    ASP  20           HN       ASP  20 -11.427 -13.166   1.205
  146    HA   ASP  20           HA       ASP  20 -10.589 -12.521  -1.560
  147   1HB   ASP  20           HB2      ASP  20 -13.324 -12.826  -0.294
  148   2HB   ASP  20           HB1      ASP  20 -13.036 -12.516  -2.011
  149    H    LYS  21           HN       LYS  21 -10.752 -10.761   1.191
  150    HA   LYS  21           HA       LYS  21 -12.277  -8.456   0.260
  151   1HB   LYS  21           HB2      LYS  21 -10.285  -8.836   2.517
  152   2HB   LYS  21           HB1      LYS  21 -11.158  -7.334   2.233
  153   1HG   LYS  21           HG2      LYS  21 -13.303  -8.737   2.324
  154   2HG   LYS  21           HG1      LYS  21 -12.298 -10.031   2.976
  155   1HD   LYS  21           HD2      LYS  21 -11.496  -8.342   4.721
  156   2HD   LYS  21           HD1      LYS  21 -12.810  -7.299   4.172
  157   1HE   LYS  21           HE2      LYS  21 -13.193 -10.146   5.128
  158   2HE   LYS  21           HE1      LYS  21 -13.430  -8.721   6.141
  159   1HZ   LYS  21           HZ1      LYS  21 -14.905  -8.050   4.062
  160   2HZ   LYS  21           HZ3      LYS  21 -15.052  -9.735   3.947
  161   3HZ   LYS  21           HZ2      LYS  21 -15.523  -8.939   5.371
  162    H    LEU  22           HN       LEU  22 -11.403  -6.467  -0.562
  163    HA   LEU  22           HA       LEU  22  -9.173  -6.673  -2.300
  164   1HB   LEU  22           HB2      LEU  22 -11.192  -4.846  -1.878
  165   2HB   LEU  22           HB1      LEU  22  -9.824  -3.971  -1.220
  166    HG   LEU  22           HG       LEU  22 -10.120  -5.046  -4.025
  167   1HD1  LEU  22          HD11      LEU  22 -10.499  -2.402  -2.747
  168   2HD1  LEU  22          HD13      LEU  22  -9.470  -2.345  -4.170
  169   3HD1  LEU  22          HD12      LEU  22 -11.096  -3.002  -4.282
  170   1HD2  LEU  22          HD21      LEU  22  -7.714  -3.905  -2.594
  171   2HD2  LEU  22          HD23      LEU  22  -7.811  -5.368  -3.574
  172   3HD2  LEU  22          HD22      LEU  22  -7.882  -3.791  -4.341
  173    H    VAL  23           HN       VAL  23  -7.020  -5.559  -2.003
  174    HA   VAL  23           HA       VAL  23  -6.261  -4.961   0.797
  175    HB   VAL  23           HB       VAL  23  -4.829  -7.031  -0.911
  176   1HG1  VAL  23          HG12      VAL  23  -4.205  -5.741   1.747
  177   2HG1  VAL  23          HG11      VAL  23  -3.480  -7.268   1.250
  178   3HG1  VAL  23          HG13      VAL  23  -3.187  -5.803   0.311
  179   1HG2  VAL  23          HG21      VAL  23  -6.510  -7.218   1.602
  180   2HG2  VAL  23          HG23      VAL  23  -6.756  -8.061   0.070
  181   3HG2  VAL  23          HG22      VAL  23  -5.391  -8.490   1.104
  182    H    VAL  24           HN       VAL  24  -5.389  -2.960   0.562
  183    HA   VAL  24           HA       VAL  24  -3.864  -2.349  -1.924
  184    HB   VAL  24           HB       VAL  24  -4.786  -0.473   0.280
  185   1HG1  VAL  24          HG12      VAL  24  -2.827   0.249  -1.164
  186   2HG1  VAL  24          HG11      VAL  24  -3.901   0.126  -2.559
  187   3HG1  VAL  24          HG13      VAL  24  -4.244   1.293  -1.282
  188   1HG2  VAL  24          HG22      VAL  24  -6.028  -1.266  -2.361
  189   2HG2  VAL  24          HG21      VAL  24  -6.761  -1.355  -0.760
  190   3HG2  VAL  24          HG23      VAL  24  -6.469   0.215  -1.514
  191    H    VAL  25           HN       VAL  25  -1.656  -1.819  -1.810
  192    HA   VAL  25           HA       VAL  25  -0.359  -2.025   0.903
  193    HB   VAL  25           HB       VAL  25   0.776  -2.973  -1.746
  194   1HG1  VAL  25          HG12      VAL  25   2.387  -2.267   0.085
  195   2HG1  VAL  25          HG11      VAL  25   1.701  -3.552   1.078
  196   3HG1  VAL  25          HG13      VAL  25   2.534  -3.946  -0.424
  197   1HG2  VAL  25          HG23      VAL  25  -1.183  -4.313  -1.012
  198   2HG2  VAL  25          HG22      VAL  25   0.313  -5.232  -0.936
  199   3HG2  VAL  25          HG21      VAL  25  -0.396  -4.585   0.542
  200    H    ASP  26           HN       ASP  26   0.721  -0.190   1.434
  201    HA   ASP  26           HA       ASP  26   1.438   1.738  -0.746
  202   1HB   ASP  26           HB2      ASP  26   0.054   2.611   1.102
  203   2HB   ASP  26           HB1      ASP  26   1.297   2.137   2.267
  204    H    PHE  27           HN       PHE  27   3.520   1.635  -1.434
  205    HA   PHE  27           HA       PHE  27   5.649   0.572   0.350
  206   1HB   PHE  27           HB2      PHE  27   5.511   1.170  -2.608
  207   2HB   PHE  27           HB1      PHE  27   7.040   0.802  -1.804
  208    HD1  PHE  27           HD1      PHE  27   7.320  -1.385  -0.605
  209    HD2  PHE  27           HD2      PHE  27   3.939  -0.552  -3.120
  210    HE1  PHE  27           HE1      PHE  27   6.840  -3.811  -0.757
  211    HE2  PHE  27           HE2      PHE  27   3.462  -2.977  -3.252
  212    HZ   PHE  27           HZ       PHE  27   4.906  -4.610  -2.086
  213    H    SER  28           HN       SER  28   4.447   3.375   0.596
  214    HA   SER  28           HA       SER  28   6.317   5.290  -0.347
  215   1HB   SER  28           HB2      SER  28   4.701   5.370   2.211
  216   2HB   SER  28           HB1      SER  28   5.475   6.754   1.450
  217    HG   SER  28           HG       SER  28   3.169   6.344   0.960
  218    H    ALA  29           HN       ALA  29   8.101   6.280   0.621
  219    HA   ALA  29           HA       ALA  29   9.635   4.537   2.440
  220   1HB   ALA  29           HB3      ALA  29  10.198   6.857   0.645
  221   2HB   ALA  29           HB2      ALA  29  11.199   6.774   2.097
  222   3HB   ALA  29           HB1      ALA  29  11.180   5.427   0.954
  223    H    THR  30           HN       THR  30   9.546   4.848   4.637
  224    HA   THR  30           HA       THR  30   7.926   6.946   5.755
  225    HB   THR  30           HB       THR  30   8.338   4.802   6.937
  226    HG1  THR  30           HG1      THR  30   8.402   5.748   8.871
  227   1HG2  THR  30          HG22      THR  30  10.747   4.655   6.171
  228   2HG2  THR  30          HG21      THR  30  11.135   5.856   7.403
  229   3HG2  THR  30          HG23      THR  30  10.491   4.284   7.878
  230    H    TRP  31           HN       TRP  31  11.336   6.604   5.014
  231    HA   TRP  31           HA       TRP  31  12.167   8.953   6.523
  232   1HB   TRP  31           HB2      TRP  31  14.279   8.698   5.318
  233   2HB   TRP  31           HB1      TRP  31  13.730   7.140   5.927
  234    HD1  TRP  31           HD1      TRP  31  13.048   5.318   4.207
  235    HE1  TRP  31           HE1      TRP  31  13.311   5.107   1.650
  236    HE3  TRP  31           HE3      TRP  31  14.151  10.157   3.042
  237    HZ2  TRP  31           HZ2      TRP  31  13.865   6.786  -0.592
  238    HZ3  TRP  31           HZ3      TRP  31  14.518  10.830   0.689
  239    HH2  TRP  31           HH2      TRP  31  14.376   9.153  -1.129
  240    H    CYS  32           HN       CYS  32  10.561   8.541   3.501
  241    HA   CYS  32           HA       CYS  32  11.629  11.049   2.371
  242   1HB   CYS  32           HB2      CYS  32  10.987   9.032   0.962
  243   2HB   CYS  32           HB1      CYS  32   9.307   9.379   1.358
  244    H    GLY  33           HN       GLY  33  10.887  12.941   3.056
  245   1HA   GLY  33           HA2      GLY  33   8.726  13.262   4.855
  246   2HA   GLY  33           HA1      GLY  33   9.492  14.571   3.964
  247    HA   PRO  34           HA       PRO  34   6.050  15.038   1.299
  248   1HB   PRO  34           HB2      PRO  34   6.790  14.018  -1.241
  249   2HB   PRO  34           HB1      PRO  34   6.997  15.676  -0.665
  250   1HG   PRO  34           HG2      PRO  34   9.021  13.554  -0.985
  251   2HG   PRO  34           HG1      PRO  34   9.246  15.302  -0.845
  252   1HD   PRO  34           HD2      PRO  34   9.816  13.416   1.161
  253   2HD   PRO  34           HD1      PRO  34   9.657  15.166   1.421
  254    H    ALA  35           HN       ALA  35   7.412  11.784   1.064
  255    HA   ALA  35           HA       ALA  35   4.928  10.588   0.113
  256   1HB   ALA  35           HB1      ALA  35   7.432   9.714   0.003
  257   2HB   ALA  35           HB3      ALA  35   7.021   8.989   1.558
  258   3HB   ALA  35           HB2      ALA  35   6.093   8.574   0.118
  259    H    LYS  36           HN       LYS  36   6.591  10.707   3.280
  260    HA   LYS  36           HA       LYS  36   4.624   9.264   4.758
  261   1HB   LYS  36           HB2      LYS  36   6.933   9.908   5.562
  262   2HB   LYS  36           HB1      LYS  36   6.323  11.541   5.817
  263   1HG   LYS  36           HG2      LYS  36   4.507  10.516   7.278
  264   2HG   LYS  36           HG1      LYS  36   5.394   8.998   7.172
  265   1HD   LYS  36           HD2      LYS  36   7.428  10.225   8.039
  266   2HD   LYS  36           HD1      LYS  36   6.381  11.613   8.338
  267   1HE   LYS  36           HE2      LYS  36   5.920   8.843   9.487
  268   2HE   LYS  36           HE1      LYS  36   6.689  10.172  10.363
  269   1HZ   LYS  36           HZ1      LYS  36   4.362  11.205   9.306
  270   2HZ   LYS  36           HZ3      LYS  36   3.933   9.685   9.919
  271   3HZ   LYS  36           HZ2      LYS  36   4.669  10.830  10.935
  272    H    MET  37           HN       MET  37   4.785  12.620   3.752
  273    HA   MET  37           HA       MET  37   2.784  13.715   5.439
  274   1HB   MET  37           HB2      MET  37   4.307  15.012   3.920
  275   2HB   MET  37           HB1      MET  37   3.321  14.482   2.562
  276   1HG   MET  37           HG2      MET  37   1.323  15.497   3.666
  277   2HG   MET  37           HG1      MET  37   2.376  16.119   4.934
  278   1HE   MET  37           HE1      MET  37   4.734  17.296   4.160
  279   2HE   MET  37           HE3      MET  37   4.355  18.894   3.505
  280   3HE   MET  37           HE2      MET  37   3.469  18.276   4.894
  281    H    ILE  38           HN       ILE  38   2.531  11.744   2.556
  282    HA   ILE  38           HA       ILE  38  -0.313  12.255   2.167
  283    HB   ILE  38           HB       ILE  38   1.159   9.883   1.005
  284   1HG1  ILE  38          HG12      ILE  38   1.191  12.667  -0.198
  285   2HG1  ILE  38          HG11      ILE  38   2.542  12.008   0.732
  286   1HG2  ILE  38          HG21      ILE  38  -1.101  11.674   0.063
  287   2HG2  ILE  38          HG23      ILE  38  -0.337  10.448  -0.944
  288   3HG2  ILE  38          HG22      ILE  38  -1.203   9.973   0.514
  289   1HD1  ILE  38          HD11      ILE  38   2.494  10.019  -0.853
  290   2HD1  ILE  38          HD13      ILE  38   1.397  10.965  -1.857
  291   3HD1  ILE  38          HD12      ILE  38   3.036  11.545  -1.546
  292    H    LYS  39           HN       LYS  39   1.306  10.405   4.485
  293    HA   LYS  39           HA       LYS  39  -0.213   8.023   4.403
  294   1HB   LYS  39           HB2      LYS  39   0.586   7.447   6.516
  295   2HB   LYS  39           HB1      LYS  39   1.857   8.441   5.829
  296   1HG   LYS  39           HG2      LYS  39   1.384  10.259   7.256
  297   2HG   LYS  39           HG1      LYS  39  -0.234   9.687   7.648
  298   1HD   LYS  39           HD2      LYS  39   2.347   8.338   8.486
  299   2HD   LYS  39           HD1      LYS  39   1.357   9.367   9.516
  300   1HE   LYS  39           HE2      LYS  39   0.429   7.363  10.145
  301   2HE   LYS  39           HE1      LYS  39  -0.523   7.572   8.677
  302   1HZ   LYS  39           HZ3      LYS  39   2.063   6.433   8.188
  303   2HZ   LYS  39           HZ2      LYS  39   1.113   5.476   9.226
  304   3HZ   LYS  39           HZ1      LYS  39   0.531   5.900   7.683
  305    HA   PRO  40           HA       PRO  40  -3.367  10.137   7.463
  306   1HB   PRO  40           HB2      PRO  40  -3.833  12.608   5.854
  307   2HB   PRO  40           HB1      PRO  40  -3.751  12.411   7.614
  308   1HG   PRO  40           HG2      PRO  40  -1.768  13.612   6.268
  309   2HG   PRO  40           HG1      PRO  40  -1.424  12.563   7.655
  310   1HD   PRO  40           HD2      PRO  40  -1.146  11.968   4.738
  311   2HD   PRO  40           HD1      PRO  40  -0.083  11.468   6.072
  312    H    PHE  41           HN       PHE  41  -3.428  10.788   3.929
  313    HA   PHE  41           HA       PHE  41  -6.264  10.212   3.697
  314   1HB   PHE  41           HB2      PHE  41  -3.999  10.237   1.676
  315   2HB   PHE  41           HB1      PHE  41  -5.669   9.909   1.246
  316    HD1  PHE  41           HD2      PHE  41  -3.497  12.438   2.906
  317    HD2  PHE  41           HD1      PHE  41  -7.180  11.653   0.849
  318    HE1  PHE  41           HE2      PHE  41  -3.960  14.873   2.815
  319    HE2  PHE  41           HE1      PHE  41  -7.653  14.087   0.764
  320    HZ   PHE  41           HZ       PHE  41  -6.041  15.699   1.744
  321    H    PHE  42           HN       PHE  42  -3.319   8.355   2.924
  322    HA   PHE  42           HA       PHE  42  -4.650   5.936   2.216
  323   1HB   PHE  42           HB2      PHE  42  -2.280   6.400   1.734
  324   2HB   PHE  42           HB1      PHE  42  -1.911   6.368   3.460
  325    HD1  PHE  42           HD1      PHE  42  -3.073   4.331   0.584
  326    HD2  PHE  42           HD2      PHE  42  -1.682   4.306   4.644
  327    HE1  PHE  42           HE1      PHE  42  -2.842   1.866   0.493
  328    HE2  PHE  42           HE2      PHE  42  -1.452   1.839   4.555
  329    HZ   PHE  42           HZ       PHE  42  -2.036   0.614   2.477
  330    H    HIS  43           HN       HIS  43  -3.322   7.033   5.322
  331    HA   HIS  43           HA       HIS  43  -4.166   4.727   6.822
  332   1HB   HIS  43           HB2      HIS  43  -2.359   6.214   7.573
  333   2HB   HIS  43           HB1      HIS  43  -3.505   7.539   7.741
  334    HD1  HIS  43           HD1      HIS  43  -2.377   4.388   9.366
  335    HD2  HIS  43           HD2      HIS  43  -5.318   7.271   9.931
  336    HE1  HIS  43           HE1      HIS  43  -3.454   3.873  11.600
  337    H    SER  44           HN       SER  44  -5.642   7.951   6.339
  338    HA   SER  44           HA       SER  44  -7.818   7.532   8.151
  339   1HB   SER  44           HB2      SER  44  -7.650   9.357   5.737
  340   2HB   SER  44           HB1      SER  44  -8.928   9.403   6.946
  341    HG   SER  44           HG       SER  44  -7.532  10.124   8.430
  342    H    LEU  45           HN       LEU  45  -7.473   6.897   4.677
  343    HA   LEU  45           HA       LEU  45 -10.176   6.268   4.116
  344   1HB   LEU  45           HB2      LEU  45  -7.611   5.253   2.914
  345   2HB   LEU  45           HB1      LEU  45  -9.185   4.836   2.261
  346    HG   LEU  45           HG       LEU  45  -8.405   7.727   2.709
  347   1HD1  LEU  45          HD11      LEU  45  -6.669   6.652   1.286
  348   2HD1  LEU  45          HD13      LEU  45  -7.935   6.121   0.183
  349   3HD1  LEU  45          HD12      LEU  45  -7.618   7.841   0.401
  350   1HD2  LEU  45          HD22      LEU  45 -10.479   6.264   1.078
  351   2HD2  LEU  45          HD21      LEU  45 -10.696   7.560   2.250
  352   3HD2  LEU  45          HD23      LEU  45 -10.004   7.910   0.673
  353    H    SER  46           HN       SER  46  -7.782   4.447   5.871
  354    HA   SER  46           HA       SER  46  -8.770   1.835   5.467
  355   1HB   SER  46           HB2      SER  46  -7.644   3.017   8.025
  356   2HB   SER  46           HB1      SER  46  -7.803   1.300   7.676
  357    HG   SER  46           HG       SER  46  -6.246   3.209   6.265
  358    H    GLU  47           HN       GLU  47  -9.967   4.448   7.549
  359    HA   GLU  47           HA       GLU  47 -12.077   2.664   8.632
  360   1HB   GLU  47           HB2      GLU  47 -11.420   5.594   9.097
  361   2HB   GLU  47           HB1      GLU  47 -12.806   4.782   9.821
  362   1HG   GLU  47           HG2      GLU  47 -11.053   4.689  11.442
  363   2HG   GLU  47           HG1      GLU  47 -11.166   3.070  10.744
  364    H    LYS  48           HN       LYS  48 -11.620   4.701   5.907
  365    HA   LYS  48           HA       LYS  48 -14.470   5.413   5.651
  366   1HB   LYS  48           HB2      LYS  48 -12.631   6.848   4.692
  367   2HB   LYS  48           HB1      LYS  48 -12.313   5.561   3.528
  368   1HG   LYS  48           HG2      LYS  48 -14.743   5.694   2.839
  369   2HG   LYS  48           HG1      LYS  48 -14.887   7.127   3.853
  370   1HD   LYS  48           HD2      LYS  48 -12.793   6.915   1.682
  371   2HD   LYS  48           HD1      LYS  48 -14.415   7.507   1.350
  372   1HE   LYS  48           HE2      LYS  48 -12.485   8.691   3.372
  373   2HE   LYS  48           HE1      LYS  48 -12.918   9.392   1.817
  374   1HZ   LYS  48           HZ2      LYS  48 -15.283   9.309   2.622
  375   2HZ   LYS  48           HZ1      LYS  48 -14.664   8.976   4.170
  376   3HZ   LYS  48           HZ3      LYS  48 -14.277  10.437   3.401
  377    H    TYR  49           HN       TYR  49 -12.163   3.069   4.453
  378    HA   TYR  49           HA       TYR  49 -14.437   1.488   3.255
  379   1HB   TYR  49           HB2      TYR  49 -11.539   1.696   2.349
  380   2HB   TYR  49           HB1      TYR  49 -12.695   0.523   1.722
  381    HD1  TYR  49           HD2      TYR  49 -14.910   1.436   0.775
  382    HD2  TYR  49           HD1      TYR  49 -11.423   3.860   1.403
  383    HE1  TYR  49           HE2      TYR  49 -15.805   3.125  -0.803
  384    HE2  TYR  49           HE1      TYR  49 -12.320   5.555  -0.173
  385    HH   TYR  49           HH       TYR  49 -15.240   4.948  -2.050
  386    H    SER  50           HN       SER  50 -14.370   0.919   5.689
  387    HA   SER  50           HA       SER  50 -12.230  -0.653   6.753
  388   1HB   SER  50           HB2      SER  50 -13.739  -1.161   8.519
  389   2HB   SER  50           HB1      SER  50 -14.208   0.440   7.979
  390    HG   SER  50           HG       SER  50 -16.095  -0.487   7.799
  391    H    ASN  51           HN       ASN  51 -14.295  -1.183   4.223
  392    HA   ASN  51           HA       ASN  51 -14.620  -4.076   4.453
  393   1HB   ASN  51           HB2      ASN  51 -16.334  -3.000   3.215
  394   2HB   ASN  51           HB1      ASN  51 -15.178  -2.001   2.336
  395   1HD2  ASN  51          HD22      ASN  51 -16.265  -5.498   0.731
  396   2HD2  ASN  51          HD21      ASN  51 -17.079  -4.795   2.042
  397    H    VAL  52           HN       VAL  52 -12.226  -1.875   3.312
  398    HA   VAL  52           HA       VAL  52 -10.840  -4.056   1.827
  399    HB   VAL  52           HB       VAL  52 -10.605  -1.033   1.700
  400   1HG1  VAL  52          HG11      VAL  52  -8.808  -3.211   0.699
  401   2HG1  VAL  52          HG13      VAL  52  -9.120  -1.864  -0.402
  402   3HG1  VAL  52          HG12      VAL  52  -8.418  -1.564   1.186
  403   1HG2  VAL  52          HG23      VAL  52 -11.731  -3.168  -0.127
  404   2HG2  VAL  52          HG22      VAL  52 -12.526  -1.720   0.497
  405   3HG2  VAL  52          HG21      VAL  52 -11.271  -1.574  -0.731
  406    H    ILE  53           HN       ILE  53  -8.631  -4.479   2.367
  407    HA   ILE  53           HA       ILE  53  -7.861  -3.527   5.103
  408    HB   ILE  53           HB       ILE  53  -6.582  -5.709   3.434
  409   1HG1  ILE  53          HG12      ILE  53  -8.924  -6.279   3.703
  410   2HG1  ILE  53          HG11      ILE  53  -7.990  -7.259   4.827
  411   1HG2  ILE  53          HG22      ILE  53  -5.433  -4.643   5.507
  412   2HG2  ILE  53          HG21      ILE  53  -6.669  -5.459   6.447
  413   3HG2  ILE  53          HG23      ILE  53  -5.559  -6.398   5.456
  414   1HD1  ILE  53          HD12      ILE  53  -8.483  -5.356   6.538
  415   2HD1  ILE  53          HD11      ILE  53  -9.747  -4.885   5.406
  416   3HD1  ILE  53          HD13      ILE  53  -9.777  -6.488   6.139
  417    H    PHE  54           HN       PHE  54  -6.392  -1.869   5.185
  418    HA   PHE  54           HA       PHE  54  -4.662  -1.354   2.803
  419   1HB   PHE  54           HB2      PHE  54  -5.225   0.320   5.268
  420   2HB   PHE  54           HB1      PHE  54  -4.167   0.807   3.948
  421    HD1  PHE  54           HD1      PHE  54  -7.666  -0.402   4.582
  422    HD2  PHE  54           HD2      PHE  54  -5.070   1.999   2.143
  423    HE1  PHE  54           HE1      PHE  54  -9.631   0.474   3.343
  424    HE2  PHE  54           HE2      PHE  54  -7.035   2.862   0.897
  425    HZ   PHE  54           HZ       PHE  54  -9.312   2.096   1.495
  426    H    LEU  55           HN       LEU  55  -2.541  -1.915   2.842
  427    HA   LEU  55           HA       LEU  55  -1.250  -2.536   5.475
  428   1HB   LEU  55           HB2      LEU  55  -0.613  -3.594   2.702
  429   2HB   LEU  55           HB1      LEU  55   0.458  -3.809   4.083
  430    HG   LEU  55           HG       LEU  55  -1.209  -5.111   5.249
  431   1HD1  LEU  55          HD11      LEU  55  -3.031  -4.161   3.056
  432   2HD1  LEU  55          HD13      LEU  55  -3.364  -5.679   3.892
  433   3HD1  LEU  55          HD12      LEU  55  -3.284  -4.183   4.802
  434   1HD2  LEU  55          HD21      LEU  55   0.176  -6.198   3.441
  435   2HD2  LEU  55          HD23      LEU  55  -1.331  -7.036   3.808
  436   3HD2  LEU  55          HD22      LEU  55  -1.207  -6.031   2.363
  437    H    GLU  56           HN       GLU  56   0.722  -1.582   5.939
  438    HA   GLU  56           HA       GLU  56   1.606   0.578   4.047
  439   1HB   GLU  56           HB2      GLU  56   0.747   1.269   6.357
  440   2HB   GLU  56           HB1      GLU  56   2.144   0.418   7.028
  441   1HG   GLU  56           HG2      GLU  56   3.635   1.826   5.605
  442   2HG   GLU  56           HG1      GLU  56   2.215   2.735   5.077
  443    H    VAL  57           HN       VAL  57   3.635   0.267   3.206
  444    HA   VAL  57           HA       VAL  57   5.412  -1.758   4.548
  445    HB   VAL  57           HB       VAL  57   5.081  -1.321   1.570
  446   1HG1  VAL  57          HG12      VAL  57   6.589  -3.351   3.236
  447   2HG1  VAL  57          HG11      VAL  57   6.351  -3.474   1.495
  448   3HG1  VAL  57          HG13      VAL  57   7.294  -2.140   2.161
  449   1HG2  VAL  57          HG21      VAL  57   4.043  -3.512   3.393
  450   2HG2  VAL  57          HG23      VAL  57   3.058  -2.325   2.542
  451   3HG2  VAL  57          HG22      VAL  57   3.959  -3.538   1.635
  452    H    ASP  58           HN       ASP  58   7.457  -1.107   4.895
  453    HA   ASP  58           HA       ASP  58   8.319   1.590   3.967
  454   1HB   ASP  58           HB2      ASP  58   8.427   0.840   6.399
  455   2HB   ASP  58           HB1      ASP  58   9.670  -0.306   5.897
  456    H    VAL  59           HN       VAL  59   9.616   1.625   2.132
  457    HA   VAL  59           HA       VAL  59  10.744  -0.819   1.053
  458    HB   VAL  59           HB       VAL  59  11.938   0.662  -0.516
  459   1HG1  VAL  59          HG13      VAL  59   9.082   1.477   0.066
  460   2HG1  VAL  59          HG12      VAL  59   9.945   1.890  -1.415
  461   3HG1  VAL  59          HG11      VAL  59   9.615   0.202  -1.029
  462   1HG2  VAL  59          HG22      VAL  59  11.107   2.769   1.475
  463   2HG2  VAL  59          HG21      VAL  59  12.697   2.473   0.772
  464   3HG2  VAL  59          HG23      VAL  59  11.423   3.197  -0.209
  465    H    ASP  60           HN       ASP  60  11.704   1.441   3.468
  466    HA   ASP  60           HA       ASP  60  14.567   0.708   3.287
  467   1HB   ASP  60           HB2      ASP  60  12.951   2.641   4.934
  468   2HB   ASP  60           HB1      ASP  60  14.596   2.242   5.397
  469    H    ASP  61           HN       ASP  61  11.890   0.225   5.651
  470    HA   ASP  61           HA       ASP  61  13.690  -1.584   7.206
  471   1HB   ASP  61           HB2      ASP  61  10.857  -0.650   7.793
  472   2HB   ASP  61           HB1      ASP  61  11.854  -1.638   8.857
  473    H    ALA  62           HN       ALA  62  11.191  -1.628   4.880
  474    HA   ALA  62           HA       ALA  62  10.871  -4.586   5.203
  475   1HB   ALA  62           HB2      ALA  62   8.843  -2.854   5.503
  476   2HB   ALA  62           HB1      ALA  62   8.814  -2.963   3.745
  477   3HB   ALA  62           HB3      ALA  62   8.606  -4.416   4.722
  478    H    GLN  63           HN       GLN  63  12.987  -3.314   3.819
  479    HA   GLN  63           HA       GLN  63  12.545  -2.915   1.049
  480   1HB   GLN  63           HB2      GLN  63  14.940  -3.211   0.778
  481   2HB   GLN  63           HB1      GLN  63  14.652  -2.329   2.276
  482   1HG   GLN  63           HG2      GLN  63  14.757  -4.553   3.486
  483   2HG   GLN  63           HG1      GLN  63  15.325  -5.263   1.972
  484   1HE2  GLN  63          HE22      GLN  63  17.991  -3.447   4.301
  485   2HE2  GLN  63          HE21      GLN  63  16.462  -3.966   4.830
  486    H    ASP  64           HN       ASP  64  12.662  -5.870   2.895
  487    HA   ASP  64           HA       ASP  64  13.342  -7.615   0.731
  488   1HB   ASP  64           HB2      ASP  64  12.158  -9.374   2.133
  489   2HB   ASP  64           HB1      ASP  64  13.445  -8.505   2.966
  490    H    VAL  65           HN       VAL  65  10.277  -6.265   1.893
  491    HA   VAL  65           HA       VAL  65   8.630  -7.798   0.085
  492    HB   VAL  65           HB       VAL  65   7.983  -5.069   1.231
  493   1HG1  VAL  65          HG13      VAL  65   6.464  -6.119  -0.468
  494   2HG1  VAL  65          HG12      VAL  65   6.219  -7.458   0.656
  495   3HG1  VAL  65          HG11      VAL  65   5.696  -5.832   1.092
  496   1HG2  VAL  65          HG21      VAL  65   8.130  -7.741   2.588
  497   2HG2  VAL  65          HG23      VAL  65   8.602  -6.162   3.196
  498   3HG2  VAL  65          HG22      VAL  65   6.899  -6.593   3.094
  499    H    ALA  66           HN       ALA  66   9.999  -4.504  -0.001
  500    HA   ALA  66           HA       ALA  66   8.825  -3.849  -2.545
  501   1HB   ALA  66           HB1      ALA  66   9.877  -2.320  -0.653
  502   2HB   ALA  66           HB3      ALA  66  11.346  -2.512  -1.612
  503   3HB   ALA  66           HB2      ALA  66   9.899  -1.810  -2.337
  504    H    SER  67           HN       SER  67  12.007  -5.153  -1.605
  505    HA   SER  67           HA       SER  67  13.218  -4.965  -4.178
  506   1HB   SER  67           HB2      SER  67  14.750  -6.720  -3.384
  507   2HB   SER  67           HB1      SER  67  14.480  -5.522  -2.121
  508    HG   SER  67           HG       SER  67  13.742  -8.182  -2.263
  509    H    GLU  68           HN       GLU  68  11.021  -7.341  -2.791
  510    HA   GLU  68           HA       GLU  68  11.290  -9.339  -4.815
  511   1HB   GLU  68           HB2      GLU  68  10.124  -9.679  -2.637
  512   2HB   GLU  68           HB1      GLU  68   8.824  -8.626  -3.190
  513   1HG   GLU  68           HG2      GLU  68   8.533 -10.209  -5.162
  514   2HG   GLU  68           HG1      GLU  68   9.649 -11.302  -4.346
  515    H    ALA  69           HN       ALA  69   9.303  -6.419  -4.586
  516    HA   ALA  69           HA       ALA  69   8.009  -6.993  -7.174
  517   1HB   ALA  69           HB2      ALA  69   7.781  -4.603  -5.329
  518   2HB   ALA  69           HB1      ALA  69   6.781  -4.898  -6.753
  519   3HB   ALA  69           HB3      ALA  69   6.688  -5.981  -5.367
  520    H    GLU  70           HN       GLU  70  10.986  -5.757  -6.362
  521    HA   GLU  70           HA       GLU  70  12.501  -4.361  -7.491
  522   1HB   GLU  70           HB2      GLU  70  10.693  -5.160  -9.797
  523   2HB   GLU  70           HB1      GLU  70  12.188  -4.248  -9.997
  524   1HG   GLU  70           HG2      GLU  70  12.771  -6.519 -10.368
  525   2HG   GLU  70           HG1      GLU  70  13.349  -6.142  -8.748
  526    H    VAL  71           HN       VAL  71  10.696  -2.897  -6.065
  527    HA   VAL  71           HA       VAL  71   9.134  -1.076  -7.630
  528    HB   VAL  71           HB       VAL  71  10.436  -0.553  -4.928
  529   1HG1  VAL  71          HG13      VAL  71   8.079   0.670  -6.398
  530   2HG1  VAL  71          HG12      VAL  71   8.435   0.969  -4.695
  531   3HG1  VAL  71          HG11      VAL  71   9.581   1.473  -5.939
  532   1HG2  VAL  71          HG23      VAL  71   7.869  -1.959  -5.736
  533   2HG2  VAL  71          HG22      VAL  71   9.134  -2.540  -4.657
  534   3HG2  VAL  71          HG21      VAL  71   8.063  -1.241  -4.137
  535    H    LYS  72           HN       LYS  72   9.732   0.729  -8.739
  536    HA   LYS  72           HA       LYS  72  12.628   1.412  -8.781
  537   1HB   LYS  72           HB2      LYS  72  10.443   1.986 -10.793
  538   2HB   LYS  72           HB1      LYS  72  12.139   2.420 -10.986
  539   1HG   LYS  72           HG2      LYS  72  11.313  -0.455 -10.482
  540   2HG   LYS  72           HG1      LYS  72  11.318   0.223 -12.109
  541   1HD   LYS  72           HD2      LYS  72  13.724   0.893 -11.746
  542   2HD   LYS  72           HD1      LYS  72  13.688   0.005 -10.228
  543   1HE   LYS  72           HE2      LYS  72  13.094  -2.057 -11.433
  544   2HE   LYS  72           HE1      LYS  72  13.116  -1.172 -12.959
  545   1HZ   LYS  72           HZ1      LYS  72  15.452  -0.603 -12.499
  546   2HZ   LYS  72           HZ3      LYS  72  15.408  -1.584 -11.116
  547   3HZ   LYS  72           HZ2      LYS  72  15.205  -2.279 -12.654
  548    H    ALA  73           HN       ALA  73   9.618   2.625  -7.684
  549    HA   ALA  73           HA       ALA  73  10.929   5.086  -6.845
  550   1HB   ALA  73           HB2      ALA  73   8.937   5.096  -9.092
  551   2HB   ALA  73           HB1      ALA  73   9.078   6.494  -8.027
  552   3HB   ALA  73           HB3      ALA  73  10.469   5.958  -8.968
  553    H    THR  74           HN       THR  74   9.667   6.321  -5.365
  554    HA   THR  74           HA       THR  74   7.172   4.998  -4.350
  555    HB   THR  74           HB       THR  74   7.925   5.455  -2.075
  556    HG1  THR  74           HG1      THR  74  10.216   6.405  -2.100
  557   1HG2  THR  74          HG22      THR  74  10.233   4.395  -3.707
  558   2HG2  THR  74          HG21      THR  74  10.060   4.220  -1.964
  559   3HG2  THR  74          HG23      THR  74   8.912   3.441  -3.048
  560    HA   PRO  75           HA       PRO  75   5.826   5.703  -2.554
  561   1HB   PRO  75           HB2      PRO  75   3.257   6.718  -2.497
  562   2HB   PRO  75           HB1      PRO  75   4.548   7.199  -1.386
  563   1HG   PRO  75           HG2      PRO  75   3.387   8.711  -3.647
  564   2HG   PRO  75           HG1      PRO  75   4.227   9.306  -2.210
  565   1HD   PRO  75           HD2      PRO  75   5.320   9.059  -4.834
  566   2HD   PRO  75           HD1      PRO  75   6.216   9.454  -3.346
  567    H    THR  76           HN       THR  76   4.811   3.823  -3.188
  568    HA   THR  76           HA       THR  76   3.365   3.837  -5.818
  569    HB   THR  76           HB       THR  76   5.305   1.730  -4.838
  570    HG1  THR  76           HG1      THR  76   5.439   3.660  -6.892
  571   1HG2  THR  76          HG23      THR  76   3.488   1.917  -7.238
  572   2HG2  THR  76          HG22      THR  76   4.923   0.891  -7.240
  573   3HG2  THR  76          HG21      THR  76   3.632   0.599  -6.074
  574    H    PHE  77           HN       PHE  77   1.464   2.803  -5.768
  575    HA   PHE  77           HA       PHE  77   0.741   1.291  -3.284
  576   1HB   PHE  77           HB2      PHE  77  -1.051   2.700  -5.289
  577   2HB   PHE  77           HB1      PHE  77  -1.588   1.870  -3.821
  578    HD1  PHE  77           HD1      PHE  77  -1.037   2.776  -1.580
  579    HD2  PHE  77           HD2      PHE  77   0.072   4.822  -5.187
  580    HE1  PHE  77           HE1      PHE  77  -0.579   4.835  -0.271
  581    HE2  PHE  77           HE2      PHE  77   0.531   6.882  -3.882
  582    HZ   PHE  77           HZ       PHE  77   0.201   6.888  -1.423
  583    H    GLN  78           HN       GLN  78   0.286  -0.855  -3.527
  584    HA   GLN  78           HA       GLN  78  -0.205  -1.893  -6.311
  585   1HB   GLN  78           HB2      GLN  78   1.325  -3.153  -4.028
  586   2HB   GLN  78           HB1      GLN  78   0.796  -4.048  -5.448
  587   1HG   GLN  78           HG2      GLN  78   2.054  -2.484  -6.893
  588   2HG   GLN  78           HG1      GLN  78   2.641  -1.639  -5.462
  589   1HE2  GLN  78          HE22      GLN  78   5.417  -3.848  -5.690
  590   2HE2  GLN  78          HE21      GLN  78   4.882  -2.250  -5.891
  591    H    PHE  79           HN       PHE  79  -1.897  -3.241  -6.541
  592    HA   PHE  79           HA       PHE  79  -3.639  -3.628  -4.131
  593   1HB   PHE  79           HB2      PHE  79  -4.275  -3.576  -7.092
  594   2HB   PHE  79           HB1      PHE  79  -5.452  -3.880  -5.809
  595    HD1  PHE  79           HD2      PHE  79  -3.010  -1.397  -7.113
  596    HD2  PHE  79           HD1      PHE  79  -6.317  -2.110  -4.484
  597    HE1  PHE  79           HE2      PHE  79  -3.190   1.036  -6.680
  598    HE2  PHE  79           HE1      PHE  79  -6.494   0.318  -4.038
  599    HZ   PHE  79           HZ       PHE  79  -4.934   1.892  -5.135
  600    H    PHE  80           HN       PHE  80  -4.065  -5.612  -3.437
  601    HA   PHE  80           HA       PHE  80  -3.416  -7.944  -5.182
  602   1HB   PHE  80           HB2      PHE  80  -2.857  -7.555  -2.240
  603   2HB   PHE  80           HB1      PHE  80  -2.825  -9.138  -3.021
  604    HD1  PHE  80           HD2      PHE  80  -1.168  -5.831  -2.795
  605    HD2  PHE  80           HD1      PHE  80  -1.120  -9.726  -4.630
  606    HE1  PHE  80           HE2      PHE  80   1.143  -5.437  -3.593
  607    HE2  PHE  80           HE1      PHE  80   1.191  -9.319  -5.432
  608    HZ   PHE  80           HZ       PHE  80   2.321  -7.172  -4.915
  609    H    LYS  81           HN       LYS  81  -4.900  -9.651  -5.104
  610    HA   LYS  81           HA       LYS  81  -7.118  -9.457  -3.140
  611   1HB   LYS  81           HB2      LYS  81  -7.626  -8.142  -5.355
  612   2HB   LYS  81           HB1      LYS  81  -7.781  -9.745  -6.079
  613   1HG   LYS  81           HG2      LYS  81  -9.444 -10.336  -4.308
  614   2HG   LYS  81           HG1      LYS  81  -9.345  -8.680  -3.716
  615   1HD   LYS  81           HD2      LYS  81  -9.882  -8.080  -6.255
  616   2HD   LYS  81           HD1      LYS  81 -10.554  -9.709  -6.269
  617   1HE   LYS  81           HE2      LYS  81 -12.446  -8.620  -5.534
  618   2HE   LYS  81           HE1      LYS  81 -11.665  -8.759  -3.958
  619   1HZ   LYS  81           HZ2      LYS  81 -10.510  -6.563  -4.860
  620   2HZ   LYS  81           HZ1      LYS  81 -11.998  -6.436  -5.670
  621   3HZ   LYS  81           HZ3      LYS  81 -11.962  -6.547  -3.978
  622    H    LYS  82           HN       LYS  82  -7.541 -11.481  -2.458
  623    HA   LYS  82           HA       LYS  82  -7.469 -13.814  -2.307
  624   1HB   LYS  82           HB2      LYS  82  -7.493 -13.662  -5.353
  625   2HB   LYS  82           HB1      LYS  82  -7.764 -15.109  -4.398
  626   1HG   LYS  82           HG2      LYS  82  -9.669 -13.833  -3.264
  627   2HG   LYS  82           HG1      LYS  82  -9.504 -12.646  -4.555
  628   1HD   LYS  82           HD2      LYS  82  -9.754 -14.546  -6.208
  629   2HD   LYS  82           HD1      LYS  82 -10.167 -15.583  -4.841
  630   1HE   LYS  82           HE2      LYS  82 -12.045 -14.096  -4.267
  631   2HE   LYS  82           HE1      LYS  82 -11.631 -13.043  -5.619
  632   1HZ   LYS  82           HZ2      LYS  82 -11.783 -15.473  -6.779
  633   2HZ   LYS  82           HZ1      LYS  82 -13.017 -15.562  -5.616
  634   3HZ   LYS  82           HZ3      LYS  82 -13.029 -14.317  -6.768
  635    H    GLY  83           HN       GLY  83  -5.008 -12.143  -2.490
  636   1HA   GLY  83           HA2      GLY  83  -2.714 -12.655  -2.317
  637   2HA   GLY  83           HA1      GLY  83  -3.102 -14.324  -2.730
  638    H    GLN  84           HN       GLN  84  -4.282 -11.831  -4.848
  639    HA   GLN  84           HA       GLN  84  -2.063 -12.390  -6.763
  640   1HB   GLN  84           HB2      GLN  84  -5.032 -12.359  -7.315
  641   2HB   GLN  84           HB1      GLN  84  -3.818 -12.294  -8.587
  642   1HG   GLN  84           HG2      GLN  84  -3.877 -14.478  -6.495
  643   2HG   GLN  84           HG1      GLN  84  -4.700 -14.619  -8.048
  644   1HE2  GLN  84          HE22      GLN  84  -0.952 -13.869  -9.128
  645   2HE2  GLN  84          HE21      GLN  84  -2.072 -12.689  -8.638
  646    H    LYS  85           HN       LYS  85  -1.274 -10.663  -7.878
  647    HA   LYS  85           HA       LYS  85  -2.076  -7.983  -7.030
  648   1HB   LYS  85           HB2      LYS  85   0.277  -8.607  -7.498
  649   2HB   LYS  85           HB1      LYS  85  -0.150  -8.870  -9.189
  650   1HG   LYS  85           HG2      LYS  85  -0.835  -6.521  -9.397
  651   2HG   LYS  85           HG1      LYS  85  -0.468  -6.252  -7.696
  652   1HD   LYS  85           HD2      LYS  85   1.479  -5.486  -8.763
  653   2HD   LYS  85           HD1      LYS  85   1.916  -7.129  -8.305
  654   1HE   LYS  85           HE2      LYS  85   1.463  -7.934 -10.551
  655   2HE   LYS  85           HE1      LYS  85   0.814  -6.366 -11.028
  656   1HZ   LYS  85           HZ3      LYS  85   3.602  -6.885 -10.147
  657   2HZ   LYS  85           HZ2      LYS  85   3.105  -6.653 -11.754
  658   3HZ   LYS  85           HZ1      LYS  85   2.978  -5.385 -10.631
  659    H    VAL  86           HN       VAL  86  -3.630  -6.777  -7.988
  660    HA   VAL  86           HA       VAL  86  -4.401  -7.410 -10.819
  661    HB   VAL  86           HB       VAL  86  -6.710  -6.653 -10.141
  662   1HG1  VAL  86          HG13      VAL  86  -5.893  -9.087 -10.237
  663   2HG1  VAL  86          HG12      VAL  86  -5.767  -8.997  -8.480
  664   3HG1  VAL  86          HG11      VAL  86  -7.330  -8.780  -9.264
  665   1HG2  VAL  86          HG21      VAL  86  -5.930  -5.416  -8.111
  666   2HG2  VAL  86          HG23      VAL  86  -7.230  -6.555  -7.760
  667   3HG2  VAL  86          HG22      VAL  86  -5.564  -6.964  -7.350
  668    H    GLY  87           HN       GLY  87  -2.779  -5.116  -9.159
  669   1HA   GLY  87           HA2      GLY  87  -3.175  -3.112 -11.149
  670   2HA   GLY  87           HA1      GLY  87  -4.212  -2.712  -9.785
  671    H    GLU  88           HN       GLU  88  -1.966  -1.184 -10.765
  672    HA   GLU  88           HA       GLU  88  -0.643  -0.670  -8.251
  673   1HB   GLU  88           HB2      GLU  88   0.769  -2.535  -8.853
  674   2HB   GLU  88           HB1      GLU  88   0.956  -1.922 -10.494
  675   1HG   GLU  88           HG2      GLU  88   2.197   0.027  -9.659
  676   2HG   GLU  88           HG1      GLU  88   1.934  -0.489  -7.995
  677    H    PHE  89           HN       PHE  89   0.485   1.335  -8.302
  678    HA   PHE  89           HA       PHE  89   1.015   2.674 -10.817
  679   1HB   PHE  89           HB2      PHE  89  -0.572   4.465 -10.732
  680   2HB   PHE  89           HB1      PHE  89  -1.482   2.963 -10.635
  681    HD1  PHE  89           HD1      PHE  89  -0.101   5.762  -8.632
  682    HD2  PHE  89           HD2      PHE  89  -2.845   2.474  -8.733
  683    HE1  PHE  89           HE1      PHE  89  -1.167   6.601  -6.553
  684    HE2  PHE  89           HE2      PHE  89  -3.908   3.300  -6.649
  685    HZ   PHE  89           HZ       PHE  89  -3.079   5.374  -5.560
  686    H    SER  90           HN       SER  90   1.924   4.872 -10.445
  687    HA   SER  90           HA       SER  90   2.951   5.216  -7.644
  688   1HB   SER  90           HB2      SER  90   5.078   5.979  -8.614
  689   2HB   SER  90           HB1      SER  90   4.728   4.319  -9.102
  690    HG   SER  90           HG       SER  90   3.776   6.398 -10.705
  691    H    GLY  91           HN       GLY  91   3.575   7.405  -7.146
  692   1HA   GLY  91           HA2      GLY  91   3.610   9.788  -7.977
  693   2HA   GLY  91           HA1      GLY  91   2.056   9.456  -8.742
  694    H    ALA  92           HN       ALA  92   2.883  11.359  -6.497
  695    HA   ALA  92           HA       ALA  92   1.542  10.299  -4.128
  696   1HB   ALA  92           HB3      ALA  92   2.539  13.050  -4.905
  697   2HB   ALA  92           HB2      ALA  92   1.805  12.701  -3.341
  698   3HB   ALA  92           HB1      ALA  92   3.309  11.904  -3.812
  699    H    ASN  93           HN       ASN  93  -0.454   9.788  -5.620
  700    HA   ASN  93           HA       ASN  93  -2.307  12.161  -5.582
  701   1HB   ASN  93           HB2      ASN  93  -1.739  11.216  -7.877
  702   2HB   ASN  93           HB1      ASN  93  -2.545   9.730  -7.376
  703   1HD2  ASN  93          HD22      ASN  93  -5.343  12.562  -6.923
  704   2HD2  ASN  93          HD21      ASN  93  -4.080  12.307  -5.822
  705    H    LYS  94           HN       LYS  94  -3.188  11.764  -3.532
  706    HA   LYS  94           HA       LYS  94  -3.887   9.134  -2.580
  707   1HB   LYS  94           HB2      LYS  94  -5.224  10.444  -0.896
  708   2HB   LYS  94           HB1      LYS  94  -3.517  10.850  -0.977
  709   1HG   LYS  94           HG2      LYS  94  -5.125  12.489  -2.832
  710   2HG   LYS  94           HG1      LYS  94  -5.672  12.667  -1.165
  711   1HD   LYS  94           HD2      LYS  94  -3.271  13.098  -0.499
  712   2HD   LYS  94           HD1      LYS  94  -2.857  13.110  -2.218
  713   1HE   LYS  94           HE2      LYS  94  -4.387  14.980  -2.590
  714   2HE   LYS  94           HE1      LYS  94  -4.891  14.928  -0.901
  715   1HZ   LYS  94           HZ1      LYS  94  -2.030  15.150  -1.432
  716   2HZ   LYS  94           HZ3      LYS  94  -2.972  16.523  -1.756
  717   3HZ   LYS  94           HZ2      LYS  94  -2.961  15.849  -0.197
  718    H    GLU  95           HN       GLU  95  -5.737  11.617  -4.314
  719    HA   GLU  95           HA       GLU  95  -8.323  10.469  -3.977
  720   1HB   GLU  95           HB2      GLU  95  -7.179  12.026  -6.316
  721   2HB   GLU  95           HB1      GLU  95  -8.891  11.735  -6.035
  722   1HG   GLU  95           HG2      GLU  95  -7.100  13.110  -4.026
  723   2HG   GLU  95           HG1      GLU  95  -8.060  13.981  -5.221
  724    H    LYS  96           HN       LYS  96  -5.660   9.706  -6.096
  725    HA   LYS  96           HA       LYS  96  -7.019   8.113  -8.024
  726   1HB   LYS  96           HB2      LYS  96  -4.643   8.963  -8.096
  727   2HB   LYS  96           HB1      LYS  96  -4.215   7.682  -6.985
  728   1HG   LYS  96           HG2      LYS  96  -4.783   5.978  -8.544
  729   2HG   LYS  96           HG1      LYS  96  -5.608   7.123  -9.606
  730   1HD   LYS  96           HD2      LYS  96  -3.454   8.275 -10.020
  731   2HD   LYS  96           HD1      LYS  96  -2.635   7.096  -8.999
  732   1HE   LYS  96           HE2      LYS  96  -3.294   5.283 -10.517
  733   2HE   LYS  96           HE1      LYS  96  -4.201   6.424 -11.512
  734   1HZ   LYS  96           HZ2      LYS  96  -2.052   7.656 -11.783
  735   2HZ   LYS  96           HZ1      LYS  96  -1.271   6.316 -11.087
  736   3HZ   LYS  96           HZ3      LYS  96  -2.120   6.139 -12.546
  737    H    LEU  97           HN       LEU  97  -5.796   7.395  -4.793
  738    HA   LEU  97           HA       LEU  97  -5.976   4.559  -4.891
  739   1HB   LEU  97           HB2      LEU  97  -6.362   6.571  -2.663
  740   2HB   LEU  97           HB1      LEU  97  -6.538   4.853  -2.369
  741    HG   LEU  97           HG       LEU  97  -4.060   6.082  -3.587
  742   1HD1  LEU  97          HD12      LEU  97  -4.728   5.453  -0.702
  743   2HD1  LEU  97          HD11      LEU  97  -3.088   5.735  -1.282
  744   3HD1  LEU  97          HD13      LEU  97  -4.290   7.020  -1.379
  745   1HD2  LEU  97          HD23      LEU  97  -4.856   3.331  -2.630
  746   2HD2  LEU  97          HD22      LEU  97  -3.966   3.788  -4.080
  747   3HD2  LEU  97          HD21      LEU  97  -3.177   3.828  -2.513
  748    H    GLU  98           HN       GLU  98  -8.344   7.085  -4.245
  749    HA   GLU  98           HA       GLU  98 -10.496   5.384  -3.454
  750   1HB   GLU  98           HB2      GLU  98 -10.499   7.878  -3.240
  751   2HB   GLU  98           HB1      GLU  98 -10.743   7.986  -4.982
  752   1HG   GLU  98           HG2      GLU  98 -12.830   6.646  -4.764
  753   2HG   GLU  98           HG1      GLU  98 -12.599   6.606  -3.016
  754    H    ALA  99           HN       ALA  99  -9.606   6.553  -6.709
  755    HA   ALA  99           HA       ALA  99 -11.870   5.289  -7.957
  756   1HB   ALA  99           HB1      ALA  99 -10.547   7.116  -9.019
  757   2HB   ALA  99           HB3      ALA  99  -9.194   5.999  -9.207
  758   3HB   ALA  99           HB2      ALA  99 -10.706   5.707 -10.068
  759    H    THR 100           HN       THR 100  -8.480   4.185  -7.561
  760    HA   THR 100           HA       THR 100  -8.889   1.747  -9.012
  761    HB   THR 100           HB       THR 100  -6.961   2.146  -6.710
  762    HG1  THR 100           HG1      THR 100  -6.433   3.774  -8.000
  763   1HG2  THR 100          HG22      THR 100  -7.021   0.380  -9.168
  764   2HG2  THR 100          HG21      THR 100  -5.589   0.597  -8.167
  765   3HG2  THR 100          HG23      THR 100  -7.042  -0.132  -7.480
  766    H    ILE 101           HN       ILE 101  -9.250   2.588  -5.592
  767    HA   ILE 101           HA       ILE 101  -9.910  -0.062  -4.629
  768    HB   ILE 101           HB       ILE 101 -10.609   2.726  -3.642
  769   1HG1  ILE 101          HG12      ILE 101  -8.718   0.672  -2.467
  770   2HG1  ILE 101          HG11      ILE 101  -8.192   1.890  -3.624
  771   1HG2  ILE 101          HG21      ILE 101 -11.209   0.011  -2.455
  772   2HG2  ILE 101          HG23      ILE 101 -11.122   1.466  -1.465
  773   3HG2  ILE 101          HG22      ILE 101 -12.325   1.343  -2.745
  774   1HD1  ILE 101          HD13      ILE 101  -9.222   3.623  -2.026
  775   2HD1  ILE 101          HD12      ILE 101  -9.305   2.317  -0.847
  776   3HD1  ILE 101          HD11      ILE 101  -7.743   2.830  -1.485
  777    H    ASN 102           HN       ASN 102 -11.835   2.721  -5.671
  778    HA   ASN 102           HA       ASN 102 -14.406   1.534  -5.430
  779   1HB   ASN 102           HB2      ASN 102 -13.864   3.994  -5.833
  780   2HB   ASN 102           HB1      ASN 102 -13.529   3.572  -7.515
  781   1HD2  ASN 102          HD22      ASN 102 -17.321   2.466  -6.812
  782   2HD2  ASN 102          HD21      ASN 102 -15.997   1.641  -6.159
  783    H    GLU 103           HN       GLU 103 -11.980   1.489  -7.969
  784    HA   GLU 103           HA       GLU 103 -13.589   0.248  -9.993
  785   1HB   GLU 103           HB2      GLU 103 -11.375   1.476 -10.283
  786   2HB   GLU 103           HB1      GLU 103 -10.593   0.044  -9.640
  787   1HG   GLU 103           HG2      GLU 103 -10.526  -0.187 -12.019
  788   2HG   GLU 103           HG1      GLU 103 -11.776  -1.292 -11.450
  789    H    LEU 104           HN       LEU 104 -11.377  -1.049  -7.519
  790    HA   LEU 104           HA       LEU 104 -12.000  -3.821  -8.389
  791   1HB   LEU 104           HB2      LEU 104 -10.018  -2.769  -6.358
  792   2HB   LEU 104           HB1      LEU 104 -10.185  -4.460  -6.826
  793    HG   LEU 104           HG       LEU 104  -9.481  -2.178  -8.702
  794   1HD1  LEU 104          HD12      LEU 104  -7.820  -4.292  -7.331
  795   2HD1  LEU 104          HD11      LEU 104  -7.258  -3.422  -8.758
  796   3HD1  LEU 104          HD13      LEU 104  -7.615  -2.543  -7.273
  797   1HD2  LEU 104          HD21      LEU 104 -10.020  -5.116  -9.083
  798   2HD2  LEU 104          HD23      LEU 104 -10.440  -3.755 -10.126
  799   3HD2  LEU 104          HD22      LEU 104  -8.782  -4.358 -10.086
  800    H    VAL 105           HN       VAL 105 -13.337  -1.638  -6.181
  801    HA   VAL 105           HA       VAL 105 -13.660  -3.357  -3.900
  802    HB   VAL 105           HB       VAL 105 -14.157  -0.858  -3.950
  803   1HG1  VAL 105          HG12      VAL 105 -15.649  -1.194  -6.063
  804   2HG1  VAL 105          HG11      VAL 105 -16.899  -1.664  -4.917
  805   3HG1  VAL 105          HG13      VAL 105 -16.184  -0.052  -4.830
  806   1HG2  VAL 105          HG22      VAL 105 -14.802  -2.402  -2.085
  807   2HG2  VAL 105          HG21      VAL 105 -15.932  -1.060  -2.278
  808   3HG2  VAL 105          HG23      VAL 105 -16.356  -2.664  -2.882
  809    HA   PRO  59           HA       PRO 106  13.657  15.814 -14.084
  810   1HB   PRO  59           HB2      PRO 106  16.038  14.703 -13.164
  811   2HB   PRO  59           HB1      PRO 106  15.814  15.439 -14.759
  812   1HG   PRO  59           HG2      PRO 106  17.085  16.567 -12.319
  813   2HG   PRO  59           HG1      PRO 106  17.485  16.825 -14.027
  814   1HD   PRO  59           HD2      PRO 106  16.113  18.664 -12.501
  815   2HD   PRO  59           HD1      PRO 106  15.948  18.539 -14.266
  816    H    ALA  60           HN       ALA 107  14.614  16.871 -10.864
  817    HA   ALA  60           HA       ALA 107  13.588  14.345  -9.664
  818   1HB   ALA  60           HB3      ALA 107  14.866  16.793  -8.402
  819   2HB   ALA  60           HB2      ALA 107  14.383  15.342  -7.528
  820   3HB   ALA  60           HB1      ALA 107  15.670  15.259  -8.731
  821    H    THR  61           HN       THR 108  11.483  14.240  -9.067
  822    HA   THR  61           HA       THR 108   9.974  16.800  -8.626
  823    HB   THR  61           HB       THR 108   8.805  14.070  -9.241
  824    HG1  THR  61           HG1      THR 108   9.478  16.224 -10.958
  825   1HG2  THR  61          HG22      THR 108   7.465  16.052  -8.177
  826   2HG2  THR  61          HG21      THR 108   7.582  16.766  -9.781
  827   3HG2  THR  61          HG23      THR 108   6.780  15.216  -9.566
  828    H    LEU  62           HN       LEU 109   9.205  17.153  -6.598
  829    HA   LEU  62           HA       LEU 109   9.910  15.447  -4.412
  830   1HB   LEU  62           HB2      LEU 109   7.903  17.703  -4.644
  831   2HB   LEU  62           HB1      LEU 109   8.294  16.910  -3.119
  832    HG   LEU  62           HG       LEU 109  10.330  18.275  -4.906
  833   1HD1  LEU  62          HD12      LEU 109   8.946  19.205  -2.377
  834   2HD1  LEU  62          HD11      LEU 109  10.311  20.028  -3.128
  835   3HD1  LEU  62          HD13      LEU 109   8.775  19.908  -3.982
  836   1HD2  LEU  62          HD23      LEU 109  10.462  16.810  -2.277
  837   2HD2  LEU  62          HD22      LEU 109  11.599  16.782  -3.627
  838   3HD2  LEU  62          HD21      LEU 109  11.555  18.170  -2.542
  839    H    LYS  63           HN       LYS 110   7.167  15.534  -6.529
  840    HA   LYS  63           HA       LYS 110   5.254  14.162  -4.925
  841   1HB   LYS  63           HB2      LYS 110   5.654  14.014  -7.929
  842   2HB   LYS  63           HB1      LYS 110   4.191  13.552  -7.066
  843   1HG   LYS  63           HG2      LYS 110   5.377  16.343  -7.085
  844   2HG   LYS  63           HG1      LYS 110   4.014  15.820  -8.070
  845   1HD   LYS  63           HD2      LYS 110   2.928  15.134  -5.815
  846   2HD   LYS  63           HD1      LYS 110   4.154  16.162  -5.078
  847   1HE   LYS  63           HE2      LYS 110   3.398  18.077  -6.389
  848   2HE   LYS  63           HE1      LYS 110   2.220  17.070  -7.230
  849   1HZ   LYS  63           HZ3      LYS 110   1.989  16.842  -4.398
  850   2HZ   LYS  63           HZ2      LYS 110   1.807  18.453  -4.907
  851   3HZ   LYS  63           HZ1      LYS 110   0.804  17.236  -5.546
  852    H    ILE  64           HN       ILE 111   8.162  13.128  -6.429
  853    HA   ILE  64           HA       ILE 111   7.577  10.265  -5.707
  854    HB   ILE  64           HB       ILE 111   9.072  11.339  -8.131
  855   1HG1  ILE  64          HG12      ILE 111   6.646  11.308  -8.436
  856   2HG1  ILE  64          HG11      ILE 111   7.386  10.042  -9.408
  857   1HG2  ILE  64          HG23      ILE 111   8.901   8.564  -6.958
  858   2HG2  ILE  64          HG22      ILE 111   9.254   8.825  -8.667
  859   3HG2  ILE  64          HG21      ILE 111  10.338   9.470  -7.431
  860   1HD1  ILE  64          HD13      ILE 111   6.906   8.585  -7.210
  861   2HD1  ILE  64          HD12      ILE 111   5.676   9.815  -6.977
  862   3HD1  ILE  64          HD11      ILE 111   5.670   8.835  -8.440
  863    H    CYS  65           HN       CYS 112   9.304   9.237  -4.590
  864    HA   CYS  65           HA       CYS 112  11.679  10.948  -3.975
  865   1HB   CYS  65           HB2      CYS 112  11.083   8.336  -2.576
  866   2HB   CYS  65           HB1      CYS 112  11.975   9.726  -1.977
  867    H    SER  66           HN       SER 113  13.640  10.345  -4.895
  868    HA   SER  66           HA       SER 113  13.627   8.083  -6.763
  869   1HB   SER  66           HB2      SER 113  15.858   9.985  -5.991
  870   2HB   SER  66           HB1      SER 113  15.908   8.843  -7.329
  871    HG   SER  66           HG       SER 113  13.646  10.265  -7.446
  872    H    TRP  67           HN       TRP 114  14.875   6.194  -6.642
  873    HA   TRP  67           HA       TRP 114  15.605   5.305  -3.949
  874   1HB   TRP  67           HB2      TRP 114  15.734   3.943  -6.656
  875   2HB   TRP  67           HB1      TRP 114  16.256   3.170  -5.156
  876    HD1  TRP  67           HD1      TRP 114  13.142   5.194  -6.232
  877    HE1  TRP  67           HE1      TRP 114  11.055   3.996  -5.307
  878    HE3  TRP  67           HE3      TRP 114  15.336   1.239  -3.879
  879    HZ2  TRP  67           HZ2      TRP 114  10.425   1.702  -3.749
  880    HZ3  TRP  67           HZ3      TRP 114  13.977  -0.434  -2.676
  881    HH2  TRP  67           HH2      TRP 114  11.516  -0.211  -2.621
  882    H    ASN  68           HN       ASN 115  17.221   6.792  -6.595
  883    HA   ASN  68           HA       ASN 115  19.855   5.773  -6.346
  884   1HB   ASN  68           HB2      ASN 115  18.877   8.587  -6.947
  885   2HB   ASN  68           HB1      ASN 115  20.560   8.078  -7.110
  886   1HD2  ASN  68          HD22      ASN 115  18.503   5.601  -9.495
  887   2HD2  ASN  68          HD21      ASN 115  18.500   5.471  -7.803
  888    H    VAL  69           HN       VAL 116  17.917   7.402  -4.127
  889    HA   VAL  69           HA       VAL 116  19.855   8.899  -2.652
  890    HB   VAL  69           HB       VAL 116  17.426   9.190  -2.403
  891   1HG1  VAL  69          HG11      VAL 116  16.940   6.714  -2.676
  892   2HG1  VAL  69          HG13      VAL 116  17.427   6.506  -0.995
  893   3HG1  VAL  69          HG12      VAL 116  16.032   7.510  -1.394
  894   1HG2  VAL  69          HG21      VAL 116  18.997   9.757  -0.535
  895   2HG2  VAL  69          HG23      VAL 116  17.370   9.357   0.017
  896   3HG2  VAL  69          HG22      VAL 116  18.667   8.171   0.168
  897    H    ASP  70           HN       ASP 117  21.263   8.240  -1.015
  898    HA   ASP  70           HA       ASP 117  22.165   5.547  -0.951
  899   1HB   ASP  70           HB2      ASP 117  22.503   7.814   1.035
  900   2HB   ASP  70           HB1      ASP 117  23.318   6.255   1.204
  901    H    GLY  71           HN       GLY 118  19.883   7.275   1.166
  902   1HA   GLY  71           HA2      GLY 118  18.273   6.398   2.640
  903   2HA   GLY  71           HA1      GLY 118  18.549   4.823   1.894
   
  No H/Q in entry =         903
  Start of MODEL   11
    1   1H    MET   1           HT2      MET   1  -8.845  -2.683   8.440
    2   2H    MET   1           HT1      MET   1  -8.576  -3.917   9.576
    3   3H    MET   1           HT3      MET   1  -9.836  -2.806   9.815
    4    HA   MET   1           HA       MET   1  -8.400  -1.068  10.332
    5   1HB   MET   1           HB2      MET   1  -7.217  -3.639  11.428
    6   2HB   MET   1           HB1      MET   1  -6.903  -2.032  12.081
    7   1HG   MET   1           HG2      MET   1  -9.638  -3.338  11.891
    8   2HG   MET   1           HG1      MET   1  -8.670  -3.214  13.357
    9   1HE   MET   1           HE1      MET   1 -11.544  -2.362  13.208
   10   2HE   MET   1           HE3      MET   1 -10.635  -1.972  14.676
   11   3HE   MET   1           HE2      MET   1 -11.629  -0.743  13.898
   12    H    VAL   2           HN       VAL   2  -5.817  -0.773  10.834
   13    HA   VAL   2           HA       VAL   2  -4.531  -1.080   8.158
   14    HB   VAL   2           HB       VAL   2  -3.861   0.651  10.555
   15   1HG1  VAL   2          HG11      VAL   2  -2.582   0.466   7.808
   16   2HG1  VAL   2          HG13      VAL   2  -2.277   1.760   8.965
   17   3HG1  VAL   2          HG12      VAL   2  -1.806   0.107   9.350
   18   1HG2  VAL   2          HG23      VAL   2  -5.042   1.230   7.822
   19   2HG2  VAL   2          HG22      VAL   2  -5.898   1.312   9.360
   20   3HG2  VAL   2          HG21      VAL   2  -4.608   2.459   9.005
   21    H    LYS   3           HN       LYS   3  -2.566  -2.204   7.912
   22    HA   LYS   3           HA       LYS   3  -1.375  -3.473  10.358
   23   1HB   LYS   3           HB2      LYS   3  -2.799  -5.085   9.034
   24   2HB   LYS   3           HB1      LYS   3  -1.758  -4.792   7.647
   25   1HG   LYS   3           HG2      LYS   3  -0.808  -6.729   8.554
   26   2HG   LYS   3           HG1      LYS   3   0.181  -5.473   9.287
   27   1HD   LYS   3           HD2      LYS   3  -1.168  -5.551  11.327
   28   2HD   LYS   3           HD1      LYS   3  -2.235  -6.747  10.591
   29   1HE   LYS   3           HE2      LYS   3  -0.613  -7.877  12.036
   30   2HE   LYS   3           HE1      LYS   3  -0.291  -8.285  10.350
   31   1HZ   LYS   3           HZ1      LYS   3   1.056  -5.969  11.557
   32   2HZ   LYS   3           HZ3      LYS   3   1.634  -7.529  11.893
   33   3HZ   LYS   3           HZ2      LYS   3   1.571  -6.975  10.288
   34    H    GLN   4           HN       GLN   4   0.816  -3.121  10.470
   35    HA   GLN   4           HA       GLN   4   2.168  -1.948   8.079
   36   1HB   GLN   4           HB2      GLN   4   2.424  -0.777  10.278
   37   2HB   GLN   4           HB1      GLN   4   3.180  -2.230  10.934
   38   1HG   GLN   4           HG2      GLN   4   4.971  -2.080   9.227
   39   2HG   GLN   4           HG1      GLN   4   4.213  -0.629   8.567
   40   1HE2  GLN   4          HE22      GLN   4   6.777   0.694  10.832
   41   2HE2  GLN   4          HE21      GLN   4   6.684  -0.035   9.302
   42    H    ILE   5           HN       ILE   5   3.407  -3.280   6.857
   43    HA   ILE   5           HA       ILE   5   4.153  -5.962   7.960
   44    HB   ILE   5           HB       ILE   5   4.276  -4.947   5.115
   45   1HG1  ILE   5          HG12      ILE   5   1.969  -4.827   5.837
   46   2HG1  ILE   5          HG11      ILE   5   2.141  -6.255   4.822
   47   1HG2  ILE   5          HG21      ILE   5   5.329  -7.285   6.346
   48   2HG2  ILE   5          HG23      ILE   5   3.901  -7.819   5.461
   49   3HG2  ILE   5          HG22      ILE   5   5.191  -6.960   4.626
   50   1HD1  ILE   5          HD11      ILE   5   2.563  -7.524   7.052
   51   2HD1  ILE   5          HD13      ILE   5   1.847  -6.105   7.812
   52   3HD1  ILE   5          HD12      ILE   5   0.911  -7.051   6.659
   53    H    GLU   6           HN       GLU   6   6.188  -5.998   8.796
   54    HA   GLU   6           HA       GLU   6   8.240  -4.141   7.684
   55   1HB   GLU   6           HB2      GLU   6   8.297  -5.908  10.151
   56   2HB   GLU   6           HB1      GLU   6   9.532  -4.738   9.686
   57   1HG   GLU   6           HG2      GLU   6   6.646  -3.959  10.122
   58   2HG   GLU   6           HG1      GLU   6   7.847  -3.927  11.413
   59    H    SER   7           HN       SER   7   7.144  -7.227   7.149
   60    HA   SER   7           HA       SER   7   9.729  -8.010   5.919
   61   1HB   SER   7           HB2      SER   7   9.644 -10.257   6.946
   62   2HB   SER   7           HB1      SER   7   9.840  -8.997   8.168
   63    HG   SER   7           HG       SER   7   8.201 -10.503   8.723
   64    H    LYS   8           HN       LYS   8   9.509  -9.613   4.298
   65    HA   LYS   8           HA       LYS   8   7.034  -9.605   2.838
   66   1HB   LYS   8           HB2      LYS   8   9.354 -10.080   1.904
   67   2HB   LYS   8           HB1      LYS   8   9.219 -11.684   2.632
   68   1HG   LYS   8           HG2      LYS   8   6.978 -11.876   1.372
   69   2HG   LYS   8           HG1      LYS   8   7.525 -10.478   0.448
   70   1HD   LYS   8           HD2      LYS   8   9.034 -13.096   0.712
   71   2HD   LYS   8           HD1      LYS   8   8.089 -12.598  -0.692
   72   1HE   LYS   8           HE2      LYS   8  10.316 -12.021  -1.245
   73   2HE   LYS   8           HE1      LYS   8   9.581 -10.502  -0.733
   74   1HZ   LYS   8           HZ3      LYS   8  10.615 -11.876   1.502
   75   2HZ   LYS   8           HZ2      LYS   8  11.828 -11.732   0.322
   76   3HZ   LYS   8           HZ1      LYS   8  11.040 -10.346   0.909
   77    H    THR   9           HN       THR   9   8.388 -11.726   5.298
   78    HA   THR   9           HA       THR   9   6.699 -13.964   4.918
   79    HB   THR   9           HB       THR   9   7.666 -12.866   7.570
   80    HG1  THR   9           HG1      THR   9   9.536 -13.741   7.112
   81   1HG2  THR   9          HG23      THR   9   6.771 -15.617   6.674
   82   2HG2  THR   9          HG22      THR   9   7.562 -15.290   8.216
   83   3HG2  THR   9          HG21      THR   9   5.983 -14.583   7.867
   84    H    ALA  10           HN       ALA  10   6.183 -11.090   6.960
   85    HA   ALA  10           HA       ALA  10   3.527 -11.885   7.769
   86   1HB   ALA  10           HB1      ALA  10   4.997  -9.235   7.741
   87   2HB   ALA  10           HB3      ALA  10   3.329  -9.367   8.296
   88   3HB   ALA  10           HB2      ALA  10   4.608 -10.242   9.135
   89    H    PHE  11           HN       PHE  11   4.845 -10.149   5.022
   90    HA   PHE  11           HA       PHE  11   2.452  -8.955   4.043
   91   1HB   PHE  11           HB2      PHE  11   4.818  -8.642   3.161
   92   2HB   PHE  11           HB1      PHE  11   4.662 -10.194   2.369
   93    HD1  PHE  11           HD1      PHE  11   2.761  -6.982   2.723
   94    HD2  PHE  11           HD2      PHE  11   3.907 -10.226   0.161
   95    HE1  PHE  11           HE1      PHE  11   1.594  -5.904   0.832
   96    HE2  PHE  11           HE2      PHE  11   2.735  -9.148  -1.735
   97    HZ   PHE  11           HZ       PHE  11   1.573  -6.986  -1.400
   98    H    GLN  12           HN       GLN  12   3.865 -12.166   3.478
   99    HA   GLN  12           HA       GLN  12   1.823 -13.099   1.685
  100   1HB   GLN  12           HB2      GLN  12   3.645 -14.625   3.584
  101   2HB   GLN  12           HB1      GLN  12   2.694 -15.361   2.293
  102   1HG   GLN  12           HG2      GLN  12   4.807 -13.220   1.890
  103   2HG   GLN  12           HG1      GLN  12   5.050 -14.943   1.606
  104   1HE2  GLN  12          HE22      GLN  12   2.841 -14.961  -1.298
  105   2HE2  GLN  12          HE21      GLN  12   3.225 -15.919   0.049
  106    H    GLU  13           HN       GLU  13   2.244 -13.332   5.197
  107    HA   GLU  13           HA       GLU  13  -0.074 -14.925   5.735
  108   1HB   GLU  13           HB2      GLU  13   1.393 -12.891   7.444
  109   2HB   GLU  13           HB1      GLU  13   0.194 -14.016   8.057
  110   1HG   GLU  13           HG2      GLU  13   2.753 -14.819   6.651
  111   2HG   GLU  13           HG1      GLU  13   2.517 -14.838   8.397
  112    H    ALA  14           HN       ALA  14   0.409 -11.423   5.520
  113    HA   ALA  14           HA       ALA  14  -2.224 -10.731   6.429
  114   1HB   ALA  14           HB3      ALA  14  -0.305  -9.131   6.324
  115   2HB   ALA  14           HB2      ALA  14  -0.410  -9.169   4.564
  116   3HB   ALA  14           HB1      ALA  14  -1.747  -8.519   5.513
  117    H    LEU  15           HN       LEU  15  -0.844 -11.308   3.205
  118    HA   LEU  15           HA       LEU  15  -3.174 -10.629   1.721
  119   1HB   LEU  15           HB2      LEU  15  -0.968 -12.633   1.193
  120   2HB   LEU  15           HB1      LEU  15  -2.212 -12.237   0.014
  121    HG   LEU  15           HG       LEU  15  -0.455 -10.142   1.304
  122   1HD1  LEU  15          HD11      LEU  15   0.002 -11.846  -1.143
  123   2HD1  LEU  15          HD13      LEU  15   0.705 -10.235  -1.021
  124   3HD1  LEU  15          HD12      LEU  15   1.122 -11.468   0.166
  125   1HD2  LEU  15          HD23      LEU  15  -2.405 -10.185  -1.005
  126   2HD2  LEU  15          HD22      LEU  15  -2.292  -9.035   0.326
  127   3HD2  LEU  15          HD21      LEU  15  -1.101  -8.997  -0.969
  128    H    ASP  16           HN       ASP  16  -2.134 -13.639   3.290
  129    HA   ASP  16           HA       ASP  16  -4.379 -15.184   2.351
  130   1HB   ASP  16           HB2      ASP  16  -2.152 -16.078   3.299
  131   2HB   ASP  16           HB1      ASP  16  -2.851 -15.770   4.893
  132    H    ALA  17           HN       ALA  17  -3.782 -13.219   5.222
  133    HA   ALA  17           HA       ALA  17  -6.148 -14.024   6.653
  134   1HB   ALA  17           HB1      ALA  17  -4.379 -11.575   6.818
  135   2HB   ALA  17           HB3      ALA  17  -5.727 -11.859   7.919
  136   3HB   ALA  17           HB2      ALA  17  -4.369 -12.982   7.880
  137    H    ALA  18           HN       ALA  18  -5.485 -11.449   4.317
  138    HA   ALA  18           HA       ALA  18  -7.942 -10.020   4.636
  139   1HB   ALA  18           HB2      ALA  18  -6.126 -10.356   2.236
  140   2HB   ALA  18           HB1      ALA  18  -7.494  -9.243   2.280
  141   3HB   ALA  18           HB3      ALA  18  -6.136  -9.015   3.383
  142    H    GLY  19           HN       GLY  19  -7.083 -12.895   2.798
  143   1HA   GLY  19           HA2      GLY  19  -8.460 -14.506   1.796
  144   2HA   GLY  19           HA1      GLY  19  -9.821 -13.764   2.638
  145    H    ASP  20           HN       ASP  20 -11.355 -13.142   1.195
  146    HA   ASP  20           HA       ASP  20 -10.577 -12.445  -1.575
  147   1HB   ASP  20           HB2      ASP  20 -13.296 -12.791  -0.287
  148   2HB   ASP  20           HB1      ASP  20 -13.014 -12.487  -2.002
  149    H    LYS  21           HN       LYS  21 -10.757 -10.710   1.205
  150    HA   LYS  21           HA       LYS  21 -12.327  -8.429   0.308
  151   1HB   LYS  21           HB2      LYS  21 -10.247  -8.732   2.497
  152   2HB   LYS  21           HB1      LYS  21 -11.179  -7.261   2.221
  153   1HG   LYS  21           HG2      LYS  21 -13.264  -8.825   2.415
  154   2HG   LYS  21           HG1      LYS  21 -12.144  -9.955   3.178
  155   1HD   LYS  21           HD2      LYS  21 -11.462  -7.965   4.687
  156   2HD   LYS  21           HD1      LYS  21 -12.932  -7.188   4.100
  157   1HE   LYS  21           HE2      LYS  21 -14.150  -9.340   4.805
  158   2HE   LYS  21           HE1      LYS  21 -12.675  -9.742   5.687
  159   1HZ   LYS  21           HZ1      LYS  21 -13.282  -7.096   6.269
  160   2HZ   LYS  21           HZ3      LYS  21 -14.732  -7.964   6.421
  161   3HZ   LYS  21           HZ2      LYS  21 -13.365  -8.434   7.312
  162    H    LEU  22           HN       LEU  22 -11.444  -6.396  -0.453
  163    HA   LEU  22           HA       LEU  22  -9.241  -6.641  -2.236
  164   1HB   LEU  22           HB2      LEU  22 -11.255  -4.809  -1.837
  165   2HB   LEU  22           HB1      LEU  22  -9.876  -3.923  -1.209
  166    HG   LEU  22           HG       LEU  22 -10.184  -5.086  -3.980
  167   1HD1  LEU  22          HD12      LEU  22 -10.562  -2.400  -2.782
  168   2HD1  LEU  22          HD11      LEU  22  -9.538  -2.393  -4.214
  169   3HD1  LEU  22          HD13      LEU  22 -11.165  -3.057  -4.299
  170   1HD2  LEU  22          HD21      LEU  22  -7.783  -3.938  -2.557
  171   2HD2  LEU  22          HD23      LEU  22  -7.877  -5.392  -3.552
  172   3HD2  LEU  22          HD22      LEU  22  -7.932  -3.806  -4.302
  173    H    VAL  23           HN       VAL  23  -7.095  -5.613  -1.995
  174    HA   VAL  23           HA       VAL  23  -6.265  -4.930   0.767
  175    HB   VAL  23           HB       VAL  23  -4.837  -6.974  -0.961
  176   1HG1  VAL  23          HG12      VAL  23  -4.289  -5.732   1.738
  177   2HG1  VAL  23          HG11      VAL  23  -3.638  -7.316   1.316
  178   3HG1  VAL  23          HG13      VAL  23  -3.200  -5.901   0.360
  179   1HG2  VAL  23          HG22      VAL  23  -6.621  -7.253   1.461
  180   2HG2  VAL  23          HG21      VAL  23  -6.830  -8.001  -0.122
  181   3HG2  VAL  23          HG23      VAL  23  -5.516  -8.521   0.933
  182    H    VAL  24           HN       VAL  24  -5.428  -2.941   0.483
  183    HA   VAL  24           HA       VAL  24  -3.946  -2.340  -2.039
  184    HB   VAL  24           HB       VAL  24  -4.899  -0.428   0.127
  185   1HG1  VAL  24          HG11      VAL  24  -2.977   0.284  -1.370
  186   2HG1  VAL  24          HG13      VAL  24  -4.075   0.115  -2.740
  187   3HG1  VAL  24          HG12      VAL  24  -4.410   1.303  -1.481
  188   1HG2  VAL  24          HG21      VAL  24  -6.138  -1.146  -2.541
  189   2HG2  VAL  24          HG23      VAL  24  -6.802  -1.551  -0.961
  190   3HG2  VAL  24          HG22      VAL  24  -6.703   0.134  -1.472
  191    H    VAL  25           HN       VAL  25  -1.747  -1.771  -1.919
  192    HA   VAL  25           HA       VAL  25  -0.481  -1.855   0.812
  193    HB   VAL  25           HB       VAL  25   0.675  -2.900  -1.790
  194   1HG1  VAL  25          HG13      VAL  25   1.672  -2.891   1.067
  195   2HG1  VAL  25          HG12      VAL  25   2.407  -3.834  -0.229
  196   3HG1  VAL  25          HG11      VAL  25   2.404  -2.073  -0.313
  197   1HG2  VAL  25          HG21      VAL  25  -1.242  -4.230  -0.756
  198   2HG2  VAL  25          HG23      VAL  25   0.279  -5.102  -0.934
  199   3HG2  VAL  25          HG22      VAL  25  -0.199  -4.473   0.640
  200    H    ASP  26           HN       ASP  26   0.529  -0.017   1.293
  201    HA   ASP  26           HA       ASP  26   1.208   1.893  -0.904
  202   1HB   ASP  26           HB2      ASP  26  -0.200   2.717   0.942
  203   2HB   ASP  26           HB1      ASP  26   1.057   2.283   2.102
  204    H    PHE  27           HN       PHE  27   3.288   1.574  -1.625
  205    HA   PHE  27           HA       PHE  27   5.432   0.853   0.325
  206   1HB   PHE  27           HB2      PHE  27   5.396   1.193  -2.700
  207   2HB   PHE  27           HB1      PHE  27   6.879   0.932  -1.783
  208    HD1  PHE  27           HD1      PHE  27   7.292  -1.208  -0.637
  209    HD2  PHE  27           HD2      PHE  27   3.768  -0.573  -3.011
  210    HE1  PHE  27           HE1      PHE  27   6.888  -3.652  -0.701
  211    HE2  PHE  27           HE2      PHE  27   3.367  -3.016  -3.061
  212    HZ   PHE  27           HZ       PHE  27   4.919  -4.556  -1.907
  213    H    SER  28           HN       SER  28   5.819   2.694   1.493
  214    HA   SER  28           HA       SER  28   6.593   5.165  -0.037
  215   1HB   SER  28           HB2      SER  28   5.092   4.956   2.593
  216   2HB   SER  28           HB1      SER  28   5.739   6.452   1.925
  217    HG   SER  28           HG       SER  28   3.691   4.781   0.926
  218    H    ALA  29           HN       ALA  29   8.421   6.217   0.787
  219    HA   ALA  29           HA       ALA  29  10.110   4.529   2.511
  220   1HB   ALA  29           HB3      ALA  29  10.508   7.058   0.921
  221   2HB   ALA  29           HB2      ALA  29  11.678   6.614   2.161
  222   3HB   ALA  29           HB1      ALA  29  11.379   5.530   0.800
  223    H    THR  30           HN       THR  30  10.083   4.772   4.688
  224    HA   THR  30           HA       THR  30   8.450   6.802   5.895
  225    HB   THR  30           HB       THR  30   8.870   4.657   7.022
  226    HG1  THR  30           HG1      THR  30  10.055   6.791   8.455
  227   1HG2  THR  30          HG23      THR  30  11.211   4.370   6.233
  228   2HG2  THR  30          HG22      THR  30  11.715   5.647   7.337
  229   3HG2  THR  30          HG21      THR  30  11.055   4.142   7.975
  230    H    TRP  31           HN       TRP  31  11.878   6.554   5.121
  231    HA   TRP  31           HA       TRP  31  12.674   8.878   6.675
  232   1HB   TRP  31           HB2      TRP  31  14.737   8.820   5.365
  233   2HB   TRP  31           HB1      TRP  31  14.302   7.198   5.897
  234    HD1  TRP  31           HD1      TRP  31  13.866   5.438   4.132
  235    HE1  TRP  31           HE1      TRP  31  13.982   5.364   1.556
  236    HE3  TRP  31           HE3      TRP  31  14.151  10.420   3.149
  237    HZ2  TRP  31           HZ2      TRP  31  14.131   7.203  -0.637
  238    HZ3  TRP  31           HZ3      TRP  31  14.252  11.242   0.820
  239    HH2  TRP  31           HH2      TRP  31  14.239   9.644  -1.075
  240    H    CYS  32           HN       CYS  32  11.248   8.468   3.508
  241    HA   CYS  32           HA       CYS  32  11.920  11.211   2.679
  242   1HB   CYS  32           HB2      CYS  32  11.597   9.123   1.153
  243   2HB   CYS  32           HB1      CYS  32   9.877   9.423   1.352
  244    H    GLY  33           HN       GLY  33  10.848  12.869   3.549
  245   1HA   GLY  33           HA2      GLY  33   8.506  12.616   5.136
  246   2HA   GLY  33           HA1      GLY  33   9.152  14.134   4.528
  247    HA   PRO  34           HA       PRO  34   6.132  14.629   1.353
  248   1HB   PRO  34           HB2      PRO  34   7.624  13.236  -0.822
  249   2HB   PRO  34           HB1      PRO  34   6.995  14.891  -0.770
  250   1HG   PRO  34           HG2      PRO  34   9.650  14.323  -0.545
  251   2HG   PRO  34           HG1      PRO  34   8.907  15.734   0.225
  252   1HD   PRO  34           HD2      PRO  34   9.896  13.221   1.472
  253   2HD   PRO  34           HD1      PRO  34   9.674  14.825   2.213
  254    H    ALA  35           HN       ALA  35   7.589  11.378   1.198
  255    HA   ALA  35           HA       ALA  35   5.191  10.109   0.142
  256   1HB   ALA  35           HB2      ALA  35   7.620   9.260  -0.032
  257   2HB   ALA  35           HB1      ALA  35   7.412   8.695   1.626
  258   3HB   ALA  35           HB3      ALA  35   6.378   8.066   0.343
  259    H    LYS  36           HN       LYS  36   6.777  10.011   3.365
  260    HA   LYS  36           HA       LYS  36   4.675   8.570   4.644
  261   1HB   LYS  36           HB2      LYS  36   6.979   8.950   5.594
  262   2HB   LYS  36           HB1      LYS  36   6.489  10.603   5.966
  263   1HG   LYS  36           HG2      LYS  36   4.537   9.651   7.262
  264   2HG   LYS  36           HG1      LYS  36   5.228   8.051   7.016
  265   1HD   LYS  36           HD2      LYS  36   6.148   8.580   9.089
  266   2HD   LYS  36           HD1      LYS  36   7.415   9.187   8.025
  267   1HE   LYS  36           HE2      LYS  36   6.918  10.886   9.691
  268   2HE   LYS  36           HE1      LYS  36   6.332  11.453   8.128
  269   1HZ   LYS  36           HZ3      LYS  36   4.324   9.931   9.386
  270   2HZ   LYS  36           HZ2      LYS  36   4.873  11.118  10.470
  271   3HZ   LYS  36           HZ1      LYS  36   4.292  11.566   8.938
  272    H    MET  37           HN       MET  37   5.163  12.013   4.118
  273    HA   MET  37           HA       MET  37   3.133  13.055   5.791
  274   1HB   MET  37           HB2      MET  37   4.902  14.370   4.590
  275   2HB   MET  37           HB1      MET  37   4.005  14.137   3.094
  276   1HG   MET  37           HG2      MET  37   2.694  15.340   5.532
  277   2HG   MET  37           HG1      MET  37   3.607  16.335   4.399
  278   1HE   MET  37           HE1      MET  37   2.712  17.371   2.439
  279   2HE   MET  37           HE3      MET  37   3.228  15.861   1.673
  280   3HE   MET  37           HE2      MET  37   1.667  16.570   1.268
  281    H    ILE  38           HN       ILE  38   2.956  11.507   2.680
  282    HA   ILE  38           HA       ILE  38   0.205  12.319   2.142
  283    HB   ILE  38           HB       ILE  38   2.077  10.337   0.846
  284   1HG1  ILE  38          HG12      ILE  38   0.968  12.921  -0.258
  285   2HG1  ILE  38          HG11      ILE  38   2.431  12.893   0.729
  286   1HG2  ILE  38          HG21      ILE  38  -0.808  10.999   0.269
  287   2HG2  ILE  38          HG23      ILE  38   0.278  10.564  -1.052
  288   3HG2  ILE  38          HG22      ILE  38  -0.002   9.430   0.266
  289   1HD1  ILE  38          HD11      ILE  38   3.421  11.245  -0.834
  290   2HD1  ILE  38          HD13      ILE  38   1.985  11.374  -1.845
  291   3HD1  ILE  38          HD12      ILE  38   3.039  12.774  -1.618
  292    H    LYS  39           HN       LYS  39   1.491  10.042   4.281
  293    HA   LYS  39           HA       LYS  39  -0.237   7.855   3.720
  294   1HB   LYS  39           HB2      LYS  39   0.376   6.849   5.722
  295   2HB   LYS  39           HB1      LYS  39   1.800   7.761   5.252
  296   1HG   LYS  39           HG2      LYS  39   1.235   9.525   6.860
  297   2HG   LYS  39           HG1      LYS  39  -0.255   8.704   7.302
  298   1HD   LYS  39           HD2      LYS  39   2.590   7.808   7.820
  299   2HD   LYS  39           HD1      LYS  39   1.354   8.222   9.003
  300   1HE   LYS  39           HE2      LYS  39   0.011   6.247   7.985
  301   2HE   LYS  39           HE1      LYS  39   1.557   5.746   7.295
  302   1HZ   LYS  39           HZ3      LYS  39   1.375   6.421  10.149
  303   2HZ   LYS  39           HZ2      LYS  39   0.874   4.891   9.609
  304   3HZ   LYS  39           HZ1      LYS  39   2.474   5.401   9.358
  305    HA   PRO  40           HA       PRO  40  -3.180   9.842   7.119
  306   1HB   PRO  40           HB2      PRO  40  -3.570  12.434   5.701
  307   2HB   PRO  40           HB1      PRO  40  -3.455  12.109   7.441
  308   1HG   PRO  40           HG2      PRO  40  -1.448  13.303   6.103
  309   2HG   PRO  40           HG1      PRO  40  -1.134  12.181   7.436
  310   1HD   PRO  40           HD2      PRO  40  -0.874  11.737   4.501
  311   2HD   PRO  40           HD1      PRO  40   0.126  11.084   5.810
  312    H    PHE  41           HN       PHE  41  -3.367  10.766   3.647
  313    HA   PHE  41           HA       PHE  41  -6.221  10.309   3.527
  314   1HB   PHE  41           HB2      PHE  41  -4.052  10.226   1.404
  315   2HB   PHE  41           HB1      PHE  41  -5.766  10.047   1.060
  316    HD1  PHE  41           HD2      PHE  41  -3.293  12.354   2.631
  317    HD2  PHE  41           HD1      PHE  41  -7.155  11.913   0.800
  318    HE1  PHE  41           HE2      PHE  41  -3.570  14.821   2.623
  319    HE2  PHE  41           HE1      PHE  41  -7.435  14.379   0.800
  320    HZ   PHE  41           HZ       PHE  41  -5.643  15.830   1.709
  321    H    PHE  42           HN       PHE  42  -3.359   8.345   2.763
  322    HA   PHE  42           HA       PHE  42  -4.729   5.989   1.947
  323   1HB   PHE  42           HB2      PHE  42  -2.347   6.324   1.561
  324   2HB   PHE  42           HB1      PHE  42  -2.038   6.378   3.301
  325    HD1  PHE  42           HD1      PHE  42  -3.207   4.209   0.528
  326    HD2  PHE  42           HD2      PHE  42  -1.810   4.381   4.584
  327    HE1  PHE  42           HE1      PHE  42  -3.011   1.741   0.562
  328    HE2  PHE  42           HE2      PHE  42  -1.605   1.910   4.621
  329    HZ   PHE  42           HZ       PHE  42  -2.208   0.588   2.607
  330    H    HIS  43           HN       HIS  43  -3.365   6.792   5.137
  331    HA   HIS  43           HA       HIS  43  -4.449   4.502   6.485
  332   1HB   HIS  43           HB2      HIS  43  -2.499   5.771   7.289
  333   2HB   HIS  43           HB1      HIS  43  -3.515   7.188   7.545
  334    HD1  HIS  43           HD1      HIS  43  -2.562   3.939   9.048
  335    HD2  HIS  43           HD2      HIS  43  -5.384   6.920   9.709
  336    HE1  HIS  43           HE1      HIS  43  -3.578   3.464  11.320
  337    H    SER  44           HN       SER  44  -5.598   7.860   6.126
  338    HA   SER  44           HA       SER  44  -7.797   7.657   7.922
  339   1HB   SER  44           HB2      SER  44  -7.517   9.402   5.464
  340   2HB   SER  44           HB1      SER  44  -8.751   9.593   6.703
  341    HG   SER  44           HG       SER  44  -6.663   9.504   8.110
  342    H    LEU  45           HN       LEU  45  -7.518   6.888   4.470
  343    HA   LEU  45           HA       LEU  45 -10.277   6.415   3.972
  344   1HB   LEU  45           HB2      LEU  45  -7.799   5.232   2.731
  345   2HB   LEU  45           HB1      LEU  45  -9.407   4.859   2.144
  346    HG   LEU  45           HG       LEU  45  -8.482   7.727   2.434
  347   1HD1  LEU  45          HD11      LEU  45  -8.143   5.898   0.037
  348   2HD1  LEU  45          HD13      LEU  45  -7.895   7.643   0.016
  349   3HD1  LEU  45          HD12      LEU  45  -6.842   6.616   0.986
  350   1HD2  LEU  45          HD21      LEU  45 -10.661   6.303   0.892
  351   2HD2  LEU  45          HD23      LEU  45 -10.825   7.594   2.080
  352   3HD2  LEU  45          HD22      LEU  45 -10.152   7.940   0.493
  353    H    SER  46           HN       SER  46  -7.869   4.439   5.590
  354    HA   SER  46           HA       SER  46  -8.996   1.889   5.358
  355   1HB   SER  46           HB2      SER  46  -7.847   3.122   7.868
  356   2HB   SER  46           HB1      SER  46  -8.077   1.401   7.591
  357    HG   SER  46           HG       SER  46  -6.777   2.020   5.544
  358    H    GLU  47           HN       GLU  47 -10.042   4.557   7.452
  359    HA   GLU  47           HA       GLU  47 -12.169   2.886   8.616
  360   1HB   GLU  47           HB2      GLU  47 -11.501   5.843   8.841
  361   2HB   GLU  47           HB1      GLU  47 -12.879   5.100   9.652
  362   1HG   GLU  47           HG2      GLU  47 -11.115   5.102  11.262
  363   2HG   GLU  47           HG1      GLU  47 -11.204   3.443  10.668
  364    H    LYS  48           HN       LYS  48 -11.764   4.736   5.741
  365    HA   LYS  48           HA       LYS  48 -14.624   5.397   5.477
  366   1HB   LYS  48           HB2      LYS  48 -12.840   6.809   4.405
  367   2HB   LYS  48           HB1      LYS  48 -12.488   5.460   3.323
  368   1HG   LYS  48           HG2      LYS  48 -14.877   5.465   2.591
  369   2HG   LYS  48           HG1      LYS  48 -15.153   6.887   3.591
  370   1HD   LYS  48           HD2      LYS  48 -12.956   6.901   1.526
  371   2HD   LYS  48           HD1      LYS  48 -14.619   7.186   1.034
  372   1HE   LYS  48           HE2      LYS  48 -13.662   9.342   1.447
  373   2HE   LYS  48           HE1      LYS  48 -14.722   9.007   2.811
  374   1HZ   LYS  48           HZ3      LYS  48 -12.105   7.999   3.268
  375   2HZ   LYS  48           HZ2      LYS  48 -12.057   9.658   2.911
  376   3HZ   LYS  48           HZ1      LYS  48 -13.010   9.091   4.197
  377    H    TYR  49           HN       TYR  49 -12.311   2.996   4.355
  378    HA   TYR  49           HA       TYR  49 -14.617   1.325   3.364
  379   1HB   TYR  49           HB2      TYR  49 -11.770   1.421   2.273
  380   2HB   TYR  49           HB1      TYR  49 -13.025   0.296   1.752
  381    HD1  TYR  49           HD2      TYR  49 -15.221   1.283   0.872
  382    HD2  TYR  49           HD1      TYR  49 -11.602   3.558   1.260
  383    HE1  TYR  49           HE2      TYR  49 -16.112   2.965  -0.715
  384    HE2  TYR  49           HE1      TYR  49 -12.497   5.245  -0.328
  385    HH   TYR  49           HH       TYR  49 -15.714   5.443  -1.164
  386    H    SER  50           HN       SER  50 -14.367   0.966   5.822
  387    HA   SER  50           HA       SER  50 -12.148  -0.480   6.875
  388   1HB   SER  50           HB2      SER  50 -13.590  -0.963   8.730
  389   2HB   SER  50           HB1      SER  50 -14.043   0.636   8.163
  390    HG   SER  50           HG       SER  50 -15.940  -0.406   8.278
  391    H    ASN  51           HN       ASN  51 -14.396  -1.294   4.536
  392    HA   ASN  51           HA       ASN  51 -14.407  -4.190   5.114
  393   1HB   ASN  51           HB2      ASN  51 -16.408  -2.902   4.167
  394   2HB   ASN  51           HB1      ASN  51 -15.497  -2.791   2.662
  395   1HD2  ASN  51          HD22      ASN  51 -16.429  -6.025   1.671
  396   2HD2  ASN  51          HD21      ASN  51 -15.899  -4.474   1.233
  397    H    VAL  52           HN       VAL  52 -12.150  -2.194   4.068
  398    HA   VAL  52           HA       VAL  52 -11.010  -4.149   2.117
  399    HB   VAL  52           HB       VAL  52 -10.929  -1.116   2.022
  400   1HG1  VAL  52          HG11      VAL  52  -9.091  -3.175   0.829
  401   2HG1  VAL  52          HG13      VAL  52  -9.481  -1.743  -0.127
  402   3HG1  VAL  52          HG12      VAL  52  -8.720  -1.571   1.452
  403   1HG2  VAL  52          HG22      VAL  52 -11.932  -3.293   0.165
  404   2HG2  VAL  52          HG21      VAL  52 -12.863  -1.990   0.905
  405   3HG2  VAL  52          HG23      VAL  52 -11.690  -1.629  -0.360
  406    H    ILE  53           HN       ILE  53  -8.723  -4.479   2.372
  407    HA   ILE  53           HA       ILE  53  -7.743  -3.692   5.089
  408    HB   ILE  53           HB       ILE  53  -6.511  -5.667   3.154
  409   1HG1  ILE  53          HG12      ILE  53  -8.767  -6.444   3.531
  410   2HG1  ILE  53          HG11      ILE  53  -7.705  -7.401   4.560
  411   1HG2  ILE  53          HG21      ILE  53  -5.251  -4.712   5.197
  412   2HG2  ILE  53          HG23      ILE  53  -6.386  -5.637   6.173
  413   3HG2  ILE  53          HG22      ILE  53  -5.318  -6.465   5.043
  414   1HD1  ILE  53          HD13      ILE  53  -8.224  -5.667   6.401
  415   2HD1  ILE  53          HD12      ILE  53  -9.547  -5.146   5.358
  416   3HD1  ILE  53          HD11      ILE  53  -9.510  -6.797   5.971
  417    H    PHE  54           HN       PHE  54  -6.318  -1.994   5.197
  418    HA   PHE  54           HA       PHE  54  -4.742  -1.273   2.746
  419   1HB   PHE  54           HB2      PHE  54  -5.411   0.293   5.256
  420   2HB   PHE  54           HB1      PHE  54  -4.343   0.874   3.984
  421    HD1  PHE  54           HD1      PHE  54  -7.812  -0.371   4.604
  422    HD2  PHE  54           HD2      PHE  54  -5.224   1.927   2.065
  423    HE1  PHE  54           HE1      PHE  54  -9.779   0.452   3.333
  424    HE2  PHE  54           HE2      PHE  54  -7.186   2.740   0.794
  425    HZ   PHE  54           HZ       PHE  54  -9.463   1.998   1.427
  426    H    LEU  55           HN       LEU  55  -2.574  -1.805   2.762
  427    HA   LEU  55           HA       LEU  55  -1.247  -2.305   5.410
  428   1HB   LEU  55           HB2      LEU  55  -0.681  -3.468   2.676
  429   2HB   LEU  55           HB1      LEU  55   0.507  -3.533   3.975
  430    HG   LEU  55           HG       LEU  55  -0.914  -4.887   5.332
  431   1HD1  LEU  55          HD13      LEU  55  -3.083  -4.114   3.394
  432   2HD1  LEU  55          HD12      LEU  55  -3.228  -5.557   4.397
  433   3HD1  LEU  55          HD11      LEU  55  -3.057  -3.979   5.153
  434   1HD2  LEU  55          HD22      LEU  55   0.223  -6.015   3.413
  435   2HD2  LEU  55          HD21      LEU  55  -1.234  -6.850   3.952
  436   3HD2  LEU  55          HD23      LEU  55  -1.273  -5.865   2.490
  437    H    GLU  56           HN       GLU  56   0.689  -1.307   5.857
  438    HA   GLU  56           HA       GLU  56   1.596   0.804   3.924
  439   1HB   GLU  56           HB2      GLU  56   0.695   1.595   6.180
  440   2HB   GLU  56           HB1      GLU  56   2.072   0.774   6.920
  441   1HG   GLU  56           HG2      GLU  56   3.590   2.097   5.421
  442   2HG   GLU  56           HG1      GLU  56   2.179   3.001   4.867
  443    H    VAL  57           HN       VAL  57   3.654   0.510   3.154
  444    HA   VAL  57           HA       VAL  57   5.389  -1.501   4.569
  445    HB   VAL  57           HB       VAL  57   5.065  -1.095   1.585
  446   1HG1  VAL  57          HG13      VAL  57   6.642  -3.073   3.252
  447   2HG1  VAL  57          HG12      VAL  57   6.410  -3.207   1.514
  448   3HG1  VAL  57          HG11      VAL  57   7.313  -1.847   2.176
  449   1HG2  VAL  57          HG23      VAL  57   3.107  -2.146   2.742
  450   2HG2  VAL  57          HG22      VAL  57   3.924  -3.246   1.632
  451   3HG2  VAL  57          HG21      VAL  57   4.191  -3.386   3.369
  452    H    ASP  58           HN       ASP  58   7.503  -1.027   4.775
  453    HA   ASP  58           HA       ASP  58   8.461   1.673   3.899
  454   1HB   ASP  58           HB2      ASP  58   8.523   0.972   6.342
  455   2HB   ASP  58           HB1      ASP  58   9.703  -0.260   5.872
  456    H    VAL  59           HN       VAL  59   9.708   1.602   2.067
  457    HA   VAL  59           HA       VAL  59  10.785  -0.876   1.013
  458    HB   VAL  59           HB       VAL  59  11.916   0.600  -0.622
  459   1HG1  VAL  59          HG11      VAL  59   9.519   0.031  -0.928
  460   2HG1  VAL  59          HG13      VAL  59   9.072   1.472  -0.015
  461   3HG1  VAL  59          HG12      VAL  59   9.892   1.630  -1.565
  462   1HG2  VAL  59          HG23      VAL  59  10.992   2.735   1.304
  463   2HG2  VAL  59          HG22      VAL  59  12.620   2.444   0.697
  464   3HG2  VAL  59          HG21      VAL  59  11.386   3.105  -0.375
  465    H    ASP  60           HN       ASP  60  11.830   1.354   3.401
  466    HA   ASP  60           HA       ASP  60  14.694   0.624   3.075
  467   1HB   ASP  60           HB2      ASP  60  13.149   2.617   4.719
  468   2HB   ASP  60           HB1      ASP  60  14.813   2.237   5.121
  469    H    ASP  61           HN       ASP  61  12.073   0.269   5.488
  470    HA   ASP  61           HA       ASP  61  13.850  -1.511   7.105
  471   1HB   ASP  61           HB2      ASP  61  11.084  -0.383   7.682
  472   2HB   ASP  61           HB1      ASP  61  12.000  -1.414   8.777
  473    H    ALA  62           HN       ALA  62  11.316  -1.560   4.821
  474    HA   ALA  62           HA       ALA  62  10.948  -4.503   5.236
  475   1HB   ALA  62           HB1      ALA  62   8.931  -2.800   5.635
  476   2HB   ALA  62           HB3      ALA  62   8.825  -2.872   3.878
  477   3HB   ALA  62           HB2      ALA  62   8.662  -4.346   4.829
  478    H    GLN  63           HN       GLN  63  12.982  -3.279   3.772
  479    HA   GLN  63           HA       GLN  63  12.479  -2.897   1.011
  480   1HB   GLN  63           HB2      GLN  63  14.874  -3.187   0.727
  481   2HB   GLN  63           HB1      GLN  63  14.596  -2.310   2.225
  482   1HG   GLN  63           HG2      GLN  63  15.126  -5.285   2.034
  483   2HG   GLN  63           HG1      GLN  63  16.288  -4.064   2.522
  484   1HE2  GLN  63          HE22      GLN  63  13.581  -5.406   5.211
  485   2HE2  GLN  63          HE21      GLN  63  13.634  -6.021   3.630
  486    H    ASP  64           HN       ASP  64  12.623  -5.824   2.893
  487    HA   ASP  64           HA       ASP  64  13.255  -7.644   0.791
  488   1HB   ASP  64           HB2      ASP  64  12.020  -9.317   2.249
  489   2HB   ASP  64           HB1      ASP  64  13.320  -8.448   3.058
  490    H    VAL  65           HN       VAL  65  10.236  -6.155   1.839
  491    HA   VAL  65           HA       VAL  65   8.554  -7.731   0.083
  492    HB   VAL  65           HB       VAL  65   7.958  -4.959   1.155
  493   1HG1  VAL  65          HG11      VAL  65   6.427  -5.942  -0.531
  494   2HG1  VAL  65          HG13      VAL  65   6.189  -7.333   0.526
  495   3HG1  VAL  65          HG12      VAL  65   5.651  -5.733   1.040
  496   1HG2  VAL  65          HG23      VAL  65   8.030  -7.615   2.557
  497   2HG2  VAL  65          HG22      VAL  65   8.531  -6.036   3.146
  498   3HG2  VAL  65          HG21      VAL  65   6.819  -6.429   3.028
  499    H    ALA  66           HN       ALA  66   9.989  -4.493  -0.060
  500    HA   ALA  66           HA       ALA  66   8.835  -3.841  -2.611
  501   1HB   ALA  66           HB3      ALA  66   9.763  -2.287  -0.754
  502   2HB   ALA  66           HB2      ALA  66  11.326  -2.552  -1.527
  503   3HB   ALA  66           HB1      ALA  66  10.000  -1.826  -2.437
  504    H    SER  67           HN       SER  67  12.005  -5.146  -1.658
  505    HA   SER  67           HA       SER  67  13.263  -4.915  -4.201
  506   1HB   SER  67           HB2      SER  67  14.780  -6.683  -3.408
  507   2HB   SER  67           HB1      SER  67  14.471  -5.511  -2.131
  508    HG   SER  67           HG       SER  67  13.050  -7.948  -2.480
  509    H    GLU  68           HN       GLU  68  11.156  -7.444  -2.889
  510    HA   GLU  68           HA       GLU  68  11.464  -9.276  -5.068
  511   1HB   GLU  68           HB2      GLU  68  10.406  -9.765  -2.815
  512   2HB   GLU  68           HB1      GLU  68   8.985  -8.885  -3.367
  513   1HG   GLU  68           HG2      GLU  68  10.153 -11.194  -4.934
  514   2HG   GLU  68           HG1      GLU  68   8.942 -11.431  -3.675
  515    H    ALA  69           HN       ALA  69   9.337  -6.498  -4.538
  516    HA   ALA  69           HA       ALA  69   7.869  -6.971  -7.036
  517   1HB   ALA  69           HB1      ALA  69   7.818  -4.629  -5.117
  518   2HB   ALA  69           HB3      ALA  69   6.720  -4.851  -6.477
  519   3HB   ALA  69           HB2      ALA  69   6.689  -5.986  -5.127
  520    H    GLU  70           HN       GLU  70  10.907  -5.735  -6.457
  521    HA   GLU  70           HA       GLU  70  12.308  -4.324  -7.715
  522   1HB   GLU  70           HB2      GLU  70  10.279  -4.887  -9.896
  523   2HB   GLU  70           HB1      GLU  70  11.880  -4.202 -10.135
  524   1HG   GLU  70           HG2      GLU  70  11.331  -6.930  -8.945
  525   2HG   GLU  70           HG1      GLU  70  11.814  -6.627 -10.613
  526    H    VAL  71           HN       VAL  71  10.659  -2.846  -6.089
  527    HA   VAL  71           HA       VAL  71   8.995  -1.006  -7.529
  528    HB   VAL  71           HB       VAL  71  10.501  -0.448  -4.956
  529   1HG1  VAL  71          HG11      VAL  71   8.011   0.685  -6.265
  530   2HG1  VAL  71          HG13      VAL  71   8.427   0.984  -4.578
  531   3HG1  VAL  71          HG12      VAL  71   9.500   1.537  -5.869
  532   1HG2  VAL  71          HG22      VAL  71   7.921  -1.950  -5.501
  533   2HG2  VAL  71          HG21      VAL  71   9.320  -2.497  -4.580
  534   3HG2  VAL  71          HG23      VAL  71   8.273  -1.238  -3.928
  535    H    LYS  72           HN       LYS  72   9.567   0.707  -8.765
  536    HA   LYS  72           HA       LYS  72  12.455   1.379  -8.947
  537   1HB   LYS  72           HB2      LYS  72  10.167   1.967 -10.835
  538   2HB   LYS  72           HB1      LYS  72  11.860   2.362 -11.129
  539   1HG   LYS  72           HG2      LYS  72  12.274  -0.203 -10.696
  540   2HG   LYS  72           HG1      LYS  72  10.549  -0.363 -11.025
  541   1HD   LYS  72           HD2      LYS  72  10.890   0.817 -13.198
  542   2HD   LYS  72           HD1      LYS  72  12.621   0.866 -12.871
  543   1HE   LYS  72           HE2      LYS  72  12.662  -1.611 -12.758
  544   2HE   LYS  72           HE1      LYS  72  10.937  -1.646 -13.124
  545   1HZ   LYS  72           HZ2      LYS  72  11.412  -0.497 -15.213
  546   2HZ   LYS  72           HZ1      LYS  72  13.074  -0.535 -14.863
  547   3HZ   LYS  72           HZ3      LYS  72  12.231  -1.984 -15.120
  548    H    ALA  73           HN       ALA  73   9.530   2.636  -7.671
  549    HA   ALA  73           HA       ALA  73  10.909   5.072  -6.886
  550   1HB   ALA  73           HB2      ALA  73  10.100   5.479  -9.287
  551   2HB   ALA  73           HB1      ALA  73   8.473   5.504  -8.603
  552   3HB   ALA  73           HB3      ALA  73   9.674   6.684  -8.074
  553    H    THR  74           HN       THR  74   9.667   6.352  -5.348
  554    HA   THR  74           HA       THR  74   7.185   5.025  -4.315
  555    HB   THR  74           HB       THR  74   7.969   5.369  -2.022
  556    HG1  THR  74           HG1      THR  74   9.351   6.847  -1.655
  557   1HG2  THR  74          HG22      THR  74   9.930   4.039  -3.865
  558   2HG2  THR  74          HG21      THR  74  10.212   4.098  -2.132
  559   3HG2  THR  74          HG23      THR  74   8.774   3.299  -2.762
  560    HA   PRO  75           HA       PRO  75   5.818   5.661  -2.436
  561   1HB   PRO  75           HB2      PRO  75   3.255   6.700  -2.493
  562   2HB   PRO  75           HB1      PRO  75   4.477   7.121  -1.286
  563   1HG   PRO  75           HG2      PRO  75   3.492   8.719  -3.592
  564   2HG   PRO  75           HG1      PRO  75   4.172   9.266  -2.052
  565   1HD   PRO  75           HD2      PRO  75   5.534   9.201  -4.534
  566   2HD   PRO  75           HD1      PRO  75   6.301   9.396  -2.931
  567    H    THR  76           HN       THR  76   4.734   3.823  -3.173
  568    HA   THR  76           HA       THR  76   3.392   3.961  -5.849
  569    HB   THR  76           HB       THR  76   5.258   1.751  -4.932
  570    HG1  THR  76           HG1      THR  76   6.129   3.836  -5.695
  571   1HG2  THR  76          HG21      THR  76   3.549   2.142  -7.390
  572   2HG2  THR  76          HG23      THR  76   4.898   1.010  -7.345
  573   3HG2  THR  76          HG22      THR  76   3.521   0.785  -6.266
  574    H    PHE  77           HN       PHE  77   1.493   2.905  -5.918
  575    HA   PHE  77           HA       PHE  77   0.634   1.459  -3.433
  576   1HB   PHE  77           HB2      PHE  77  -1.001   2.840  -5.583
  577   2HB   PHE  77           HB1      PHE  77  -1.645   2.081  -4.125
  578    HD1  PHE  77           HD1      PHE  77  -1.290   3.074  -1.914
  579    HD2  PHE  77           HD2      PHE  77   0.272   4.927  -5.462
  580    HE1  PHE  77           HE1      PHE  77  -0.856   5.159  -0.636
  581    HE2  PHE  77           HE2      PHE  77   0.707   7.012  -4.183
  582    HZ   PHE  77           HZ       PHE  77   0.142   7.132  -1.767
  583    H    GLN  78           HN       GLN  78   0.193  -0.704  -3.633
  584    HA   GLN  78           HA       GLN  78  -0.216  -1.824  -6.393
  585   1HB   GLN  78           HB2      GLN  78   1.282  -3.003  -4.040
  586   2HB   GLN  78           HB1      GLN  78   0.830  -3.929  -5.471
  587   1HG   GLN  78           HG2      GLN  78   2.069  -2.284  -6.877
  588   2HG   GLN  78           HG1      GLN  78   2.590  -1.461  -5.411
  589   1HE2  GLN  78          HE22      GLN  78   5.455  -3.554  -5.682
  590   2HE2  GLN  78          HE21      GLN  78   4.860  -1.979  -5.894
  591    H    PHE  79           HN       PHE  79  -1.950  -3.129  -6.634
  592    HA   PHE  79           HA       PHE  79  -3.706  -3.501  -4.229
  593   1HB   PHE  79           HB2      PHE  79  -4.327  -3.523  -7.194
  594   2HB   PHE  79           HB1      PHE  79  -5.508  -3.837  -5.916
  595    HD1  PHE  79           HD2      PHE  79  -3.104  -1.349  -7.234
  596    HD2  PHE  79           HD1      PHE  79  -6.441  -2.057  -4.638
  597    HE1  PHE  79           HE2      PHE  79  -3.313   1.078  -6.854
  598    HE2  PHE  79           HE1      PHE  79  -6.652   0.381  -4.241
  599    HZ   PHE  79           HZ       PHE  79  -5.095   1.953  -5.353
  600    H    PHE  80           HN       PHE  80  -4.181  -5.474  -3.514
  601    HA   PHE  80           HA       PHE  80  -3.456  -7.835  -5.185
  602   1HB   PHE  80           HB2      PHE  80  -2.937  -7.366  -2.251
  603   2HB   PHE  80           HB1      PHE  80  -2.876  -8.965  -2.985
  604    HD1  PHE  80           HD1      PHE  80  -1.125  -9.564  -4.574
  605    HD2  PHE  80           HD2      PHE  80  -1.234  -5.652  -2.781
  606    HE1  PHE  80           HE1      PHE  80   1.215  -9.175  -5.277
  607    HE2  PHE  80           HE2      PHE  80   1.110  -5.270  -3.492
  608    HZ   PHE  80           HZ       PHE  80   2.338  -7.032  -4.731
  609    H    LYS  81           HN       LYS  81  -4.905  -9.567  -5.094
  610    HA   LYS  81           HA       LYS  81  -7.193  -9.389  -3.199
  611   1HB   LYS  81           HB2      LYS  81  -7.758  -8.167  -5.390
  612   2HB   LYS  81           HB1      LYS  81  -7.648  -9.743  -6.175
  613   1HG   LYS  81           HG2      LYS  81  -9.302 -10.558  -4.378
  614   2HG   LYS  81           HG1      LYS  81  -9.577  -8.857  -4.026
  615   1HD   LYS  81           HD2      LYS  81  -9.851 -10.022  -6.813
  616   2HD   LYS  81           HD1      LYS  81 -11.201  -9.891  -5.689
  617   1HE   LYS  81           HE2      LYS  81 -10.662  -7.415  -5.493
  618   2HE   LYS  81           HE1      LYS  81  -9.543  -7.637  -6.841
  619   1HZ   LYS  81           HZ3      LYS  81 -12.304  -8.607  -7.087
  620   2HZ   LYS  81           HZ2      LYS  81 -11.991  -6.948  -7.276
  621   3HZ   LYS  81           HZ1      LYS  81 -11.238  -8.079  -8.297
  622    H    LYS  82           HN       LYS  82  -7.537 -11.412  -2.426
  623    HA   LYS  82           HA       LYS  82  -7.406 -13.743  -2.187
  624   1HB   LYS  82           HB2      LYS  82  -7.440 -13.686  -5.232
  625   2HB   LYS  82           HB1      LYS  82  -7.591 -15.132  -4.243
  626   1HG   LYS  82           HG2      LYS  82  -9.570 -13.887  -3.107
  627   2HG   LYS  82           HG1      LYS  82  -9.525 -12.842  -4.524
  628   1HD   LYS  82           HD2      LYS  82  -9.659 -14.926  -5.951
  629   2HD   LYS  82           HD1      LYS  82  -9.972 -15.833  -4.468
  630   1HE   LYS  82           HE2      LYS  82 -11.907 -14.351  -3.996
  631   2HE   LYS  82           HE1      LYS  82 -11.617 -13.517  -5.522
  632   1HZ   LYS  82           HZ2      LYS  82 -12.060 -16.442  -5.364
  633   2HZ   LYS  82           HZ1      LYS  82 -13.334 -15.335  -5.557
  634   3HZ   LYS  82           HZ3      LYS  82 -12.123 -15.446  -6.739
  635    H    GLY  83           HN       GLY  83  -4.992 -12.031  -2.410
  636   1HA   GLY  83           HA2      GLY  83  -2.694 -12.474  -2.223
  637   2HA   GLY  83           HA1      GLY  83  -3.028 -14.170  -2.573
  638    H    GLN  84           HN       GLN  84  -4.266 -11.750  -4.761
  639    HA   GLN  84           HA       GLN  84  -2.060 -12.352  -6.689
  640   1HB   GLN  84           HB2      GLN  84  -5.036 -12.243  -7.238
  641   2HB   GLN  84           HB1      GLN  84  -3.811 -12.283  -8.499
  642   1HG   GLN  84           HG2      GLN  84  -4.007 -14.399  -6.342
  643   2HG   GLN  84           HG1      GLN  84  -4.827 -14.539  -7.896
  644   1HE2  GLN  84          HE22      GLN  84  -1.031 -14.048  -8.954
  645   2HE2  GLN  84          HE21      GLN  84  -2.076 -12.784  -8.502
  646    H    LYS  85           HN       LYS  85  -1.261 -10.603  -7.826
  647    HA   LYS  85           HA       LYS  85  -2.149  -7.919  -7.030
  648   1HB   LYS  85           HB2      LYS  85   0.239  -8.476  -7.342
  649   2HB   LYS  85           HB1      LYS  85  -0.059  -8.758  -9.055
  650   1HG   LYS  85           HG2      LYS  85  -0.888  -6.385  -9.230
  651   2HG   LYS  85           HG1      LYS  85  -0.391  -6.136  -7.560
  652   1HD   LYS  85           HD2      LYS  85   1.469  -7.068  -9.764
  653   2HD   LYS  85           HD1      LYS  85   1.314  -5.389  -9.258
  654   1HE   LYS  85           HE2      LYS  85   3.156  -6.131  -8.013
  655   2HE   LYS  85           HE1      LYS  85   1.828  -6.316  -6.873
  656   1HZ   LYS  85           HZ3      LYS  85   2.065  -8.625  -8.486
  657   2HZ   LYS  85           HZ2      LYS  85   3.563  -8.274  -7.766
  658   3HZ   LYS  85           HZ1      LYS  85   2.181  -8.488  -6.800
  659    H    VAL  86           HN       VAL  86  -3.638  -6.733  -8.121
  660    HA   VAL  86           HA       VAL  86  -4.226  -7.451 -10.977
  661    HB   VAL  86           HB       VAL  86  -6.575  -6.742 -10.498
  662   1HG1  VAL  86          HG11      VAL  86  -5.656  -9.161 -10.279
  663   2HG1  VAL  86          HG13      VAL  86  -5.772  -8.900  -8.538
  664   3HG1  VAL  86          HG12      VAL  86  -7.218  -8.809  -9.544
  665   1HG2  VAL  86          HG23      VAL  86  -5.563  -6.693  -7.634
  666   2HG2  VAL  86          HG22      VAL  86  -6.077  -5.288  -8.568
  667   3HG2  VAL  86          HG21      VAL  86  -7.250  -6.527  -8.124
  668    H    GLY  87           HN       GLY  87  -2.719  -5.124  -9.245
  669   1HA   GLY  87           HA2      GLY  87  -2.962  -3.164 -11.312
  670   2HA   GLY  87           HA1      GLY  87  -4.050  -2.712 -10.005
  671    H    GLU  88           HN       GLU  88  -1.782  -1.229 -10.901
  672    HA   GLU  88           HA       GLU  88  -0.514  -0.695  -8.368
  673   1HB   GLU  88           HB2      GLU  88   0.906  -2.555  -8.894
  674   2HB   GLU  88           HB1      GLU  88   1.104  -2.013 -10.553
  675   1HG   GLU  88           HG2      GLU  88   1.984  -0.280  -8.240
  676   2HG   GLU  88           HG1      GLU  88   3.032  -1.554  -8.865
  677    H    PHE  89           HN       PHE  89   0.575   1.332  -8.394
  678    HA   PHE  89           HA       PHE  89   1.141   2.659 -10.910
  679   1HB   PHE  89           HB2      PHE  89  -0.513   4.375 -10.911
  680   2HB   PHE  89           HB1      PHE  89  -1.377   2.854 -10.747
  681    HD1  PHE  89           HD1      PHE  89  -0.054   5.758  -8.862
  682    HD2  PHE  89           HD2      PHE  89  -2.755   2.423  -8.830
  683    HE1  PHE  89           HE1      PHE  89  -1.127   6.651  -6.810
  684    HE2  PHE  89           HE2      PHE  89  -3.826   3.315  -6.772
  685    HZ   PHE  89           HZ       PHE  89  -3.017   5.434  -5.772
  686    H    SER  90           HN       SER  90   2.032   4.850 -10.556
  687    HA   SER  90           HA       SER  90   2.998   5.254  -7.743
  688   1HB   SER  90           HB2      SER  90   5.117   6.070  -8.691
  689   2HB   SER  90           HB1      SER  90   4.820   4.395  -9.171
  690    HG   SER  90           HG       SER  90   3.946   5.267 -11.141
  691    H    GLY  91           HN       GLY  91   3.650   7.482  -7.296
  692   1HA   GLY  91           HA2      GLY  91   3.608   9.853  -8.124
  693   2HA   GLY  91           HA1      GLY  91   2.066   9.483  -8.889
  694    H    ALA  92           HN       ALA  92   2.988  11.333  -6.572
  695    HA   ALA  92           HA       ALA  92   1.580  10.308  -4.247
  696   1HB   ALA  92           HB2      ALA  92   2.815  12.937  -5.038
  697   2HB   ALA  92           HB1      ALA  92   1.815  12.845  -3.592
  698   3HB   ALA  92           HB3      ALA  92   3.272  11.854  -3.726
  699    H    ASN  93           HN       ASN  93  -0.430   9.847  -5.753
  700    HA   ASN  93           HA       ASN  93  -2.229  12.254  -5.675
  701   1HB   ASN  93           HB2      ASN  93  -1.759  11.412  -7.998
  702   2HB   ASN  93           HB1      ASN  93  -2.509   9.881  -7.531
  703   1HD2  ASN  93          HD22      ASN  93  -4.849  13.015  -8.472
  704   2HD2  ASN  93          HD21      ASN  93  -3.167  13.036  -8.683
  705    H    LYS  94           HN       LYS  94  -3.169  11.901  -3.706
  706    HA   LYS  94           HA       LYS  94  -3.841   9.307  -2.679
  707   1HB   LYS  94           HB2      LYS  94  -5.104  10.630  -0.994
  708   2HB   LYS  94           HB1      LYS  94  -3.428  11.118  -1.182
  709   1HG   LYS  94           HG2      LYS  94  -5.282  12.574  -2.978
  710   2HG   LYS  94           HG1      LYS  94  -5.632  12.836  -1.279
  711   1HD   LYS  94           HD2      LYS  94  -3.152  13.383  -0.987
  712   2HD   LYS  94           HD1      LYS  94  -3.043  13.394  -2.752
  713   1HE   LYS  94           HE2      LYS  94  -4.887  15.078  -2.797
  714   2HE   LYS  94           HE1      LYS  94  -4.848  15.116  -1.035
  715   1HZ   LYS  94           HZ3      LYS  94  -2.236  15.436  -2.023
  716   2HZ   LYS  94           HZ2      LYS  94  -3.251  16.546  -2.814
  717   3HZ   LYS  94           HZ1      LYS  94  -3.164  16.529  -1.117
  718    H    GLU  95           HN       GLU  95  -5.775  11.695  -4.495
  719    HA   GLU  95           HA       GLU  95  -8.327  10.483  -4.028
  720   1HB   GLU  95           HB2      GLU  95  -7.348  12.058  -6.428
  721   2HB   GLU  95           HB1      GLU  95  -9.033  11.716  -6.054
  722   1HG   GLU  95           HG2      GLU  95  -7.171  13.191  -4.177
  723   2HG   GLU  95           HG1      GLU  95  -8.255  13.996  -5.309
  724    H    LYS  96           HN       LYS  96  -5.717   9.765  -6.220
  725    HA   LYS  96           HA       LYS  96  -7.037   8.125  -8.129
  726   1HB   LYS  96           HB2      LYS  96  -4.652   8.988  -8.167
  727   2HB   LYS  96           HB1      LYS  96  -4.247   7.729  -7.022
  728   1HG   LYS  96           HG2      LYS  96  -4.666   6.005  -8.560
  729   2HG   LYS  96           HG1      LYS  96  -5.593   7.052  -9.635
  730   1HD   LYS  96           HD2      LYS  96  -2.730   7.828  -9.122
  731   2HD   LYS  96           HD1      LYS  96  -3.002   6.403 -10.124
  732   1HE   LYS  96           HE2      LYS  96  -2.849   8.416 -11.521
  733   2HE   LYS  96           HE1      LYS  96  -4.469   7.726 -11.613
  734   1HZ   LYS  96           HZ1      LYS  96  -3.850   9.799  -9.618
  735   2HZ   LYS  96           HZ3      LYS  96  -4.192  10.242 -11.218
  736   3HZ   LYS  96           HZ2      LYS  96  -5.347   9.390 -10.308
  737    H    LEU  97           HN       LEU  97  -5.698   7.434  -4.944
  738    HA   LEU  97           HA       LEU  97  -5.933   4.612  -4.949
  739   1HB   LEU  97           HB2      LEU  97  -6.280   6.671  -2.757
  740   2HB   LEU  97           HB1      LEU  97  -6.320   4.946  -2.431
  741    HG   LEU  97           HG       LEU  97  -4.005   6.234  -3.865
  742   1HD1  LEU  97          HD13      LEU  97  -4.373   7.324  -1.634
  743   2HD1  LEU  97          HD12      LEU  97  -4.230   5.741  -0.884
  744   3HD1  LEU  97          HD11      LEU  97  -2.853   6.441  -1.731
  745   1HD2  LEU  97          HD23      LEU  97  -4.690   3.538  -3.353
  746   2HD2  LEU  97          HD22      LEU  97  -3.109   4.138  -3.831
  747   3HD2  LEU  97          HD21      LEU  97  -3.482   3.915  -2.127
  748    H    GLU  98           HN       GLU  98  -8.259   7.153  -4.240
  749    HA   GLU  98           HA       GLU  98 -10.361   5.457  -3.302
  750   1HB   GLU  98           HB2      GLU  98 -10.275   7.945  -3.042
  751   2HB   GLU  98           HB1      GLU  98 -10.662   8.103  -4.754
  752   1HG   GLU  98           HG2      GLU  98 -12.405   6.534  -2.842
  753   2HG   GLU  98           HG1      GLU  98 -12.633   8.259  -3.126
  754    H    ALA  99           HN       ALA  99  -9.607   6.591  -6.595
  755    HA   ALA  99           HA       ALA  99 -11.949   5.431  -7.787
  756   1HB   ALA  99           HB2      ALA  99  -9.280   6.229  -8.972
  757   2HB   ALA  99           HB1      ALA  99 -10.658   5.701  -9.938
  758   3HB   ALA  99           HB3      ALA  99 -10.772   7.168  -8.966
  759    H    THR 100           HN       THR 100  -8.616   4.142  -7.485
  760    HA   THR 100           HA       THR 100  -9.184   1.786  -9.011
  761    HB   THR 100           HB       THR 100  -7.166   1.997  -6.762
  762    HG1  THR 100           HG1      THR 100  -7.246   3.042  -9.358
  763   1HG2  THR 100          HG23      THR 100  -7.397   0.320  -9.274
  764   2HG2  THR 100          HG22      THR 100  -5.935   0.412  -8.296
  765   3HG2  THR 100          HG21      THR 100  -7.419  -0.253  -7.607
  766    H    ILE 101           HN       ILE 101  -9.459   2.495  -5.545
  767    HA   ILE 101           HA       ILE 101 -10.097  -0.159  -4.667
  768    HB   ILE 101           HB       ILE 101 -10.910   2.574  -3.615
  769   1HG1  ILE 101          HG12      ILE 101  -8.952   0.597  -2.420
  770   2HG1  ILE 101          HG11      ILE 101  -8.446   1.742  -3.661
  771   1HG2  ILE 101          HG22      ILE 101 -11.346  -0.207  -2.489
  772   2HG2  ILE 101          HG21      ILE 101 -11.357   1.236  -1.474
  773   3HG2  ILE 101          HG23      ILE 101 -12.551   1.052  -2.759
  774   1HD1  ILE 101          HD12      ILE 101  -9.292   3.608  -2.252
  775   2HD1  ILE 101          HD11      ILE 101  -9.703   2.442  -0.995
  776   3HD1  ILE 101          HD13      ILE 101  -8.017   2.691  -1.450
  777    H    ASN 102           HN       ASN 102 -12.212   2.549  -5.616
  778    HA   ASN 102           HA       ASN 102 -14.687   1.146  -5.417
  779   1HB   ASN 102           HB2      ASN 102 -14.455   3.628  -5.703
  780   2HB   ASN 102           HB1      ASN 102 -13.944   3.351  -7.369
  781   1HD2  ASN 102          HD22      ASN 102 -17.841   3.532  -6.587
  782   2HD2  ASN 102          HD21      ASN 102 -16.627   4.105  -5.548
  783    H    GLU 103           HN       GLU 103 -12.246   1.371  -7.909
  784    HA   GLU 103           HA       GLU 103 -13.737   0.137 -10.022
  785   1HB   GLU 103           HB2      GLU 103 -11.571   1.479 -10.199
  786   2HB   GLU 103           HB1      GLU 103 -10.737   0.043  -9.618
  787   1HG   GLU 103           HG2      GLU 103 -12.559  -0.009 -12.036
  788   2HG   GLU 103           HG1      GLU 103 -10.825   0.287 -12.151
  789    H    LEU 104           HN       LEU 104 -11.607  -1.168  -7.480
  790    HA   LEU 104           HA       LEU 104 -12.136  -3.939  -8.463
  791   1HB   LEU 104           HB2      LEU 104 -10.172  -2.895  -6.409
  792   2HB   LEU 104           HB1      LEU 104 -10.347  -4.589  -6.848
  793    HG   LEU 104           HG       LEU 104  -9.649  -2.391  -8.817
  794   1HD1  LEU 104          HD11      LEU 104  -7.872  -4.372  -7.370
  795   2HD1  LEU 104          HD13      LEU 104  -7.347  -3.307  -8.674
  796   3HD1  LEU 104          HD12      LEU 104  -7.885  -2.624  -7.139
  797   1HD2  LEU 104          HD21      LEU 104  -9.858  -5.407  -8.961
  798   2HD2  LEU 104          HD23      LEU 104 -10.509  -4.208 -10.076
  799   3HD2  LEU 104          HD22      LEU 104  -8.780  -4.540 -10.053
  800    H    VAL 105           HN       VAL 105 -13.569  -1.856  -6.273
  801    HA   VAL 105           HA       VAL 105 -13.823  -3.598  -3.994
  802    HB   VAL 105           HB       VAL 105 -14.365  -1.098  -4.064
  803   1HG1  VAL 105          HG11      VAL 105 -15.892  -1.474  -6.132
  804   2HG1  VAL 105          HG13      VAL 105 -17.102  -1.993  -4.964
  805   3HG1  VAL 105          HG12      VAL 105 -16.448  -0.356  -4.888
  806   1HG2  VAL 105          HG23      VAL 105 -16.420  -3.006  -2.903
  807   2HG2  VAL 105          HG22      VAL 105 -14.909  -2.524  -2.132
  808   3HG2  VAL 105          HG21      VAL 105 -16.182  -1.333  -2.396
  809    HA   PRO  59           HA       PRO 106  14.431  15.509 -13.629
  810   1HB   PRO  59           HB2      PRO 106  16.912  15.049 -12.004
  811   2HB   PRO  59           HB1      PRO 106  16.485  14.426 -13.612
  812   1HG   PRO  59           HG2      PRO 106  18.235  16.425 -13.312
  813   2HG   PRO  59           HG1      PRO 106  17.108  16.373 -14.682
  814   1HD   PRO  59           HD2      PRO 106  17.045  18.126 -12.263
  815   2HD   PRO  59           HD1      PRO 106  16.439  18.444 -13.903
  816    H    ALA  60           HN       ALA 107  15.168  16.649 -10.372
  817    HA   ALA  60           HA       ALA 107  14.009  14.247  -9.112
  818   1HB   ALA  60           HB1      ALA 107  15.005  16.861  -7.940
  819   2HB   ALA  60           HB3      ALA 107  14.480  15.468  -6.994
  820   3HB   ALA  60           HB2      ALA 107  15.905  15.348  -8.026
  821    H    THR  61           HN       THR 108  11.893  14.066  -8.578
  822    HA   THR  61           HA       THR 108  10.159  16.520  -8.726
  823    HB   THR  61           HB       THR 108   9.321  13.616  -8.976
  824    HG1  THR  61           HG1      THR 108  10.537  13.951 -10.734
  825   1HG2  THR  61          HG23      THR 108   7.572  15.257  -8.333
  826   2HG2  THR  61          HG22      THR 108   7.961  16.207  -9.765
  827   3HG2  THR  61          HG21      THR 108   7.290  14.585  -9.940
  828    H    LEU  62           HN       LEU 109   9.203  17.140  -6.835
  829    HA   LEU  62           HA       LEU 109   9.754  15.801  -4.354
  830   1HB   LEU  62           HB2      LEU 109   7.735  17.932  -5.099
  831   2HB   LEU  62           HB1      LEU 109   7.992  17.385  -3.445
  832    HG   LEU  62           HG       LEU 109  10.153  18.549  -5.230
  833   1HD1  LEU  62          HD11      LEU 109   8.382  20.186  -4.595
  834   2HD1  LEU  62          HD13      LEU 109   8.678  19.811  -2.897
  835   3HD1  LEU  62          HD12      LEU 109   9.943  20.567  -3.868
  836   1HD2  LEU  62          HD21      LEU 109  10.092  17.472  -2.415
  837   2HD2  LEU  62          HD23      LEU 109  11.331  17.282  -3.658
  838   3HD2  LEU  62          HD22      LEU 109  11.183  18.806  -2.793
  839    H    LYS  63           HN       LYS 110   7.106  15.615  -6.633
  840    HA   LYS  63           HA       LYS 110   5.204  14.312  -4.940
  841   1HB   LYS  63           HB2      LYS 110   5.609  14.051  -7.936
  842   2HB   LYS  63           HB1      LYS 110   4.163  13.567  -7.057
  843   1HG   LYS  63           HG2      LYS 110   5.257  16.389  -7.282
  844   2HG   LYS  63           HG1      LYS 110   3.823  15.762  -8.091
  845   1HD   LYS  63           HD2      LYS 110   3.030  15.189  -5.643
  846   2HD   LYS  63           HD1      LYS 110   4.233  16.388  -5.172
  847   1HE   LYS  63           HE2      LYS 110   3.160  18.080  -6.568
  848   2HE   LYS  63           HE1      LYS 110   2.001  16.891  -7.162
  849   1HZ   LYS  63           HZ3      LYS 110   2.254  17.294  -4.269
  850   2HZ   LYS  63           HZ2      LYS 110   1.399  18.447  -5.180
  851   3HZ   LYS  63           HZ1      LYS 110   0.904  16.821  -5.179
  852    H    ILE  64           HN       ILE 111   8.120  13.217  -6.423
  853    HA   ILE  64           HA       ILE 111   7.534  10.393  -5.566
  854    HB   ILE  64           HB       ILE 111   8.958  11.372  -8.063
  855   1HG1  ILE  64          HG12      ILE 111   6.517  11.322  -8.254
  856   2HG1  ILE  64          HG11      ILE 111   7.237  10.057  -9.241
  857   1HG2  ILE  64          HG23      ILE 111   8.781   8.601  -6.865
  858   2HG2  ILE  64          HG22      ILE 111   9.195   8.901  -8.553
  859   3HG2  ILE  64          HG21      ILE 111  10.239   9.510  -7.272
  860   1HD1  ILE  64          HD13      ILE 111   6.850   8.650  -6.946
  861   2HD1  ILE  64          HD12      ILE 111   5.549   9.825  -6.798
  862   3HD1  ILE  64          HD11      ILE 111   5.634   8.777  -8.211
  863    H    CYS  65           HN       CYS 112   9.245   9.387  -4.445
  864    HA   CYS  65           HA       CYS 112  11.634  11.084  -3.869
  865   1HB   CYS  65           HB2      CYS 112  10.797   8.496  -2.517
  866   2HB   CYS  65           HB1      CYS 112  12.071   9.585  -1.987
  867    H    SER  66           HN       SER 113  13.516  10.577  -4.960
  868    HA   SER  66           HA       SER 113  13.558   8.277  -6.748
  869   1HB   SER  66           HB2      SER 113  15.749  10.243  -6.025
  870   2HB   SER  66           HB1      SER 113  15.830   9.069  -7.335
  871    HG   SER  66           HG       SER 113  13.625  10.207  -7.804
  872    H    TRP  67           HN       TRP 114  14.735   6.388  -6.574
  873    HA   TRP  67           HA       TRP 114  15.559   5.541  -3.908
  874   1HB   TRP  67           HB2      TRP 114  15.717   4.187  -6.620
  875   2HB   TRP  67           HB1      TRP 114  16.257   3.430  -5.121
  876    HD1  TRP  67           HD1      TRP 114  13.092   5.397  -6.140
  877    HE1  TRP  67           HE1      TRP 114  11.039   4.139  -5.257
  878    HE3  TRP  67           HE3      TRP 114  15.360   1.376  -3.954
  879    HZ2  TRP  67           HZ2      TRP 114  10.450   1.779  -3.797
  880    HZ3  TRP  67           HZ3      TRP 114  14.018  -0.362  -2.828
  881    HH2  TRP  67           HH2      TRP 114  11.557  -0.170  -2.764
  882    H    ASN  68           HN       ASN 115  17.060   7.243  -6.417
  883    HA   ASN  68           HA       ASN 115  19.690   6.254  -6.470
  884   1HB   ASN  68           HB2      ASN 115  18.686   9.118  -6.540
  885   2HB   ASN  68           HB1      ASN 115  20.362   8.664  -6.866
  886   1HD2  ASN  68          HD22      ASN 115  18.129   6.599  -9.506
  887   2HD2  ASN  68          HD21      ASN 115  18.169   6.226  -7.851
  888    H    VAL  69           HN       VAL 116  17.935   7.441  -3.807
  889    HA   VAL  69           HA       VAL 116  19.998   8.685  -2.280
  890    HB   VAL  69           HB       VAL 116  18.612   8.030  -0.291
  891   1HG1  VAL  69          HG12      VAL 116  18.153  10.056  -1.695
  892   2HG1  VAL  69          HG11      VAL 116  16.999   9.098  -2.623
  893   3HG1  VAL  69          HG13      VAL 116  16.711   9.409  -0.910
  894   1HG2  VAL  69          HG23      VAL 116  17.849   5.830  -1.393
  895   2HG2  VAL  69          HG22      VAL 116  16.606   6.755  -0.556
  896   3HG2  VAL  69          HG21      VAL 116  16.711   6.811  -2.314
  897    H    ASP  70           HN       ASP 117  21.504   7.837  -0.812
  898    HA   ASP  70           HA       ASP 117  22.676   5.323  -1.428
  899   1HB   ASP  70           HB2      ASP 117  22.898   7.127   0.994
  900   2HB   ASP  70           HB1      ASP 117  23.856   5.655   0.822
  901    H    GLY  71           HN       GLY 118  20.294   6.225   1.047
  902   1HA   GLY  71           HA2      GLY 118  18.715   4.771   2.072
  903   2HA   GLY  71           HA1      GLY 118  19.503   3.405   1.280
   
  No H/Q in entry =         903
  Start of MODEL   12
    1   1H    MET   1           HT1      MET   1  -8.527  -1.355   7.347
    2   2H    MET   1           HT3      MET   1  -8.813  -2.957   7.824
    3   3H    MET   1           HT2      MET   1  -9.776  -1.702   8.444
    4    HA   MET   1           HA       MET   1  -8.177  -0.962   9.883
    5   1HB   MET   1           HB2      MET   1  -7.591  -3.917   9.484
    6   2HB   MET   1           HB1      MET   1  -7.105  -2.979  10.893
    7   1HG   MET   1           HG2      MET   1  -9.970  -3.329   9.972
    8   2HG   MET   1           HG1      MET   1  -9.221  -4.255  11.269
    9   1HE   MET   1           HE2      MET   1  -8.757  -3.618  13.450
   10   2HE   MET   1           HE1      MET   1  -7.555  -2.377  13.102
   11   3HE   MET   1           HE3      MET   1  -8.895  -2.033  14.202
   12    H    VAL   2           HN       VAL   2  -5.877  -0.668  10.403
   13    HA   VAL   2           HA       VAL   2  -4.203  -0.593   7.928
   14    HB   VAL   2           HB       VAL   2  -3.916   0.749  10.634
   15   1HG1  VAL   2          HG13      VAL   2  -2.151   0.713   8.175
   16   2HG1  VAL   2          HG12      VAL   2  -2.090   2.028   9.349
   17   3HG1  VAL   2          HG11      VAL   2  -1.694   0.381   9.845
   18   1HG2  VAL   2          HG21      VAL   2  -5.701   1.592   9.079
   19   2HG2  VAL   2          HG23      VAL   2  -4.434   2.776   9.393
   20   3HG2  VAL   2          HG22      VAL   2  -4.449   1.884   7.871
   21    H    LYS   3           HN       LYS   3  -2.421  -1.926   7.736
   22    HA   LYS   3           HA       LYS   3  -1.415  -3.343  10.178
   23   1HB   LYS   3           HB2      LYS   3  -2.900  -4.827   8.786
   24   2HB   LYS   3           HB1      LYS   3  -1.806  -4.579   7.430
   25   1HG   LYS   3           HG2      LYS   3  -1.003  -6.587   8.323
   26   2HG   LYS   3           HG1      LYS   3   0.043  -5.413   9.113
   27   1HD   LYS   3           HD2      LYS   3  -1.387  -5.447  11.110
   28   2HD   LYS   3           HD1      LYS   3  -2.490  -6.566  10.308
   29   1HE   LYS   3           HE2      LYS   3  -0.711  -8.240  10.146
   30   2HE   LYS   3           HE1      LYS   3   0.431  -7.122  10.890
   31   1HZ   LYS   3           HZ1      LYS   3  -2.077  -7.717  12.285
   32   2HZ   LYS   3           HZ3      LYS   3  -0.837  -8.873  12.321
   33   3HZ   LYS   3           HZ2      LYS   3  -0.556  -7.308  12.921
   34    H    GLN   4           HN       GLN   4   0.780  -3.181  10.357
   35    HA   GLN   4           HA       GLN   4   2.285  -2.008   8.060
   36   1HB   GLN   4           HB2      GLN   4   2.457  -0.859  10.246
   37   2HB   GLN   4           HB1      GLN   4   3.066  -2.344  10.977
   38   1HG   GLN   4           HG2      GLN   4   5.008  -2.301   9.438
   39   2HG   GLN   4           HG1      GLN   4   4.402  -0.805   8.725
   40   1HE2  GLN   4          HE22      GLN   4   6.533   0.751  11.129
   41   2HE2  GLN   4          HE21      GLN   4   6.364   0.334   9.492
   42    H    ILE   5           HN       ILE   5   3.479  -3.370   6.847
   43    HA   ILE   5           HA       ILE   5   4.159  -6.082   7.916
   44    HB   ILE   5           HB       ILE   5   4.398  -5.043   5.092
   45   1HG1  ILE   5          HG12      ILE   5   2.075  -4.796   5.782
   46   2HG1  ILE   5          HG11      ILE   5   2.215  -6.184   4.706
   47   1HG2  ILE   5          HG22      ILE   5   4.279  -7.804   6.315
   48   2HG2  ILE   5          HG21      ILE   5   4.234  -7.472   4.590
   49   3HG2  ILE   5          HG23      ILE   5   5.665  -7.058   5.521
   50   1HD1  ILE   5          HD11      ILE   5   2.438  -7.614   6.840
   51   2HD1  ILE   5          HD13      ILE   5   1.884  -6.185   7.713
   52   3HD1  ILE   5          HD12      ILE   5   0.851  -6.933   6.502
   53    H    GLU   6           HN       GLU   6   6.173  -6.166   8.793
   54    HA   GLU   6           HA       GLU   6   8.270  -4.309   7.813
   55   1HB   GLU   6           HB2      GLU   6   8.251  -6.225  10.168
   56   2HB   GLU   6           HB1      GLU   6   9.494  -5.025   9.807
   57   1HG   GLU   6           HG2      GLU   6   8.182  -3.854  11.347
   58   2HG   GLU   6           HG1      GLU   6   7.480  -3.328   9.819
   59    H    SER   7           HN       SER   7   7.161  -7.352   7.042
   60    HA   SER   7           HA       SER   7   9.759  -8.022   5.811
   61   1HB   SER   7           HB2      SER   7   9.799 -10.293   6.779
   62   2HB   SER   7           HB1      SER   7   9.940  -9.052   8.030
   63    HG   SER   7           HG       SER   7   7.652  -9.292   8.330
   64    H    LYS   8           HN       LYS   8   9.603  -9.584   4.167
   65    HA   LYS   8           HA       LYS   8   7.161  -9.619   2.669
   66   1HB   LYS   8           HB2      LYS   8   9.524  -9.966   1.778
   67   2HB   LYS   8           HB1      LYS   8   9.427 -11.599   2.439
   68   1HG   LYS   8           HG2      LYS   8   7.400 -12.021   1.095
   69   2HG   LYS   8           HG1      LYS   8   7.531 -10.402   0.412
   70   1HD   LYS   8           HD2      LYS   8   8.494 -12.058  -1.122
   71   2HD   LYS   8           HD1      LYS   8   9.746 -10.972  -0.524
   72   1HE   LYS   8           HE2      LYS   8  10.738 -12.623   0.783
   73   2HE   LYS   8           HE1      LYS   8   9.236 -13.536   0.959
   74   1HZ   LYS   8           HZ2      LYS   8   9.504 -13.786  -1.613
   75   2HZ   LYS   8           HZ1      LYS   8  11.143 -13.503  -1.267
   76   3HZ   LYS   8           HZ3      LYS   8  10.343 -14.816  -0.552
   77    H    THR   9           HN       THR   9   8.580 -11.783   5.049
   78    HA   THR   9           HA       THR   9   6.931 -14.044   4.591
   79    HB   THR   9           HB       THR   9   7.943 -13.033   7.263
   80    HG1  THR   9           HG1      THR   9   9.809 -13.448   6.425
   81   1HG2  THR   9          HG21      THR   9   6.997 -15.723   6.258
   82   2HG2  THR   9          HG23      THR   9   7.978 -15.549   7.714
   83   3HG2  THR   9          HG22      THR   9   6.382 -14.803   7.632
   84    H    ALA  10           HN       ALA  10   6.461 -11.204   6.669
   85    HA   ALA  10           HA       ALA  10   3.806 -11.986   7.516
   86   1HB   ALA  10           HB1      ALA  10   5.438  -9.453   7.622
   87   2HB   ALA  10           HB3      ALA  10   3.714  -9.374   7.984
   88   3HB   ALA  10           HB2      ALA  10   4.772 -10.400   8.953
   89    H    PHE  11           HN       PHE  11   5.120 -10.241   4.762
   90    HA   PHE  11           HA       PHE  11   2.718  -9.014   3.832
   91   1HB   PHE  11           HB2      PHE  11   5.059  -8.694   2.880
   92   2HB   PHE  11           HB1      PHE  11   4.882 -10.250   2.096
   93    HD1  PHE  11           HD1      PHE  11   3.011  -7.026   2.512
   94    HD2  PHE  11           HD2      PHE  11   4.020 -10.306  -0.075
   95    HE1  PHE  11           HE1      PHE  11   1.766  -5.951   0.657
   96    HE2  PHE  11           HE2      PHE  11   2.775  -9.230  -1.926
   97    HZ   PHE  11           HZ       PHE  11   1.649  -7.055  -1.558
   98    H    GLN  12           HN       GLN  12   4.090 -12.231   3.250
   99    HA   GLN  12           HA       GLN  12   2.016 -13.134   1.475
  100   1HB   GLN  12           HB2      GLN  12   3.817 -14.682   3.379
  101   2HB   GLN  12           HB1      GLN  12   2.849 -15.407   2.095
  102   1HG   GLN  12           HG2      GLN  12   4.964 -13.281   1.642
  103   2HG   GLN  12           HG1      GLN  12   5.233 -15.011   1.431
  104   1HE2  GLN  12          HE22      GLN  12   3.112 -15.210  -1.502
  105   2HE2  GLN  12          HE21      GLN  12   3.558 -16.104  -0.130
  106    H    GLU  13           HN       GLU  13   2.454 -13.318   4.989
  107    HA   GLU  13           HA       GLU  13   0.085 -14.855   5.527
  108   1HB   GLU  13           HB2      GLU  13   1.672 -12.942   7.274
  109   2HB   GLU  13           HB1      GLU  13   0.417 -14.012   7.875
  110   1HG   GLU  13           HG2      GLU  13   2.918 -14.925   6.425
  111   2HG   GLU  13           HG1      GLU  13   2.683 -14.980   8.172
  112    H    ALA  14           HN       ALA  14   0.688 -11.392   5.235
  113    HA   ALA  14           HA       ALA  14  -1.871 -10.567   6.252
  114   1HB   ALA  14           HB1      ALA  14   0.165  -9.095   5.960
  115   2HB   ALA  14           HB3      ALA  14  -0.156  -9.105   4.228
  116   3HB   ALA  14           HB2      ALA  14  -1.331  -8.401   5.341
  117    H    LEU  15           HN       LEU  15  -0.663 -11.310   2.999
  118    HA   LEU  15           HA       LEU  15  -3.006 -10.559   1.570
  119   1HB   LEU  15           HB2      LEU  15  -0.895 -12.654   1.022
  120   2HB   LEU  15           HB1      LEU  15  -2.154 -12.239  -0.133
  121    HG   LEU  15           HG       LEU  15  -0.288 -10.180   1.065
  122   1HD1  LEU  15          HD13      LEU  15   0.059 -11.960  -1.344
  123   2HD1  LEU  15          HD12      LEU  15   0.807 -10.363  -1.292
  124   3HD1  LEU  15          HD11      LEU  15   1.223 -11.571  -0.078
  125   1HD2  LEU  15          HD22      LEU  15  -2.279 -10.213  -1.205
  126   2HD2  LEU  15          HD21      LEU  15  -2.121  -9.046   0.106
  127   3HD2  LEU  15          HD23      LEU  15  -0.947  -9.059  -1.206
  128    H    ASP  16           HN       ASP  16  -2.047 -13.583   3.152
  129    HA   ASP  16           HA       ASP  16  -4.371 -15.052   2.302
  130   1HB   ASP  16           HB2      ASP  16  -2.171 -16.025   3.183
  131   2HB   ASP  16           HB1      ASP  16  -2.769 -15.635   4.799
  132    H    ALA  17           HN       ALA  17  -3.626 -13.097   5.150
  133    HA   ALA  17           HA       ALA  17  -5.927 -13.809   6.697
  134   1HB   ALA  17           HB2      ALA  17  -4.339 -11.227   6.681
  135   2HB   ALA  17           HB1      ALA  17  -5.454 -11.734   7.949
  136   3HB   ALA  17           HB3      ALA  17  -3.975 -12.650   7.658
  137    H    ALA  18           HN       ALA  18  -5.375 -11.258   4.300
  138    HA   ALA  18           HA       ALA  18  -7.810  -9.842   4.682
  139   1HB   ALA  18           HB1      ALA  18  -6.231 -10.272   2.133
  140   2HB   ALA  18           HB3      ALA  18  -7.470  -9.040   2.369
  141   3HB   ALA  18           HB2      ALA  18  -5.974  -8.976   3.302
  142    H    GLY  19           HN       GLY  19  -7.087 -12.783   2.897
  143   1HA   GLY  19           HA2      GLY  19  -8.535 -14.399   2.007
  144   2HA   GLY  19           HA1      GLY  19  -9.848 -13.601   2.875
  145    H    ASP  20           HN       ASP  20 -11.427 -13.056   1.423
  146    HA   ASP  20           HA       ASP  20 -10.683 -12.434  -1.371
  147   1HB   ASP  20           HB2      ASP  20 -13.397 -12.726  -0.055
  148   2HB   ASP  20           HB1      ASP  20 -13.110 -12.529  -1.786
  149    H    LYS  21           HN       LYS  21 -10.747 -10.597   1.312
  150    HA   LYS  21           HA       LYS  21 -12.330  -8.334   0.366
  151   1HB   LYS  21           HB2      LYS  21 -10.289  -8.650   2.584
  152   2HB   LYS  21           HB1      LYS  21 -11.152  -7.143   2.270
  153   1HG   LYS  21           HG2      LYS  21 -13.311  -8.468   2.477
  154   2HG   LYS  21           HG1      LYS  21 -12.331  -9.806   3.082
  155   1HD   LYS  21           HD2      LYS  21 -11.470  -8.362   4.887
  156   2HD   LYS  21           HD1      LYS  21 -12.445  -7.024   4.283
  157   1HE   LYS  21           HE2      LYS  21 -13.641  -8.067   6.116
  158   2HE   LYS  21           HE1      LYS  21 -14.487  -8.437   4.616
  159   1HZ   LYS  21           HZ2      LYS  21 -12.582 -10.418   4.970
  160   2HZ   LYS  21           HZ1      LYS  21 -13.339 -10.218   6.478
  161   3HZ   LYS  21           HZ3      LYS  21 -14.268 -10.568   5.102
  162    H    LEU  22           HN       LEU  22 -11.445  -6.310  -0.412
  163    HA   LEU  22           HA       LEU  22  -9.296  -6.553  -2.260
  164   1HB   LEU  22           HB2      LEU  22 -11.274  -4.698  -1.740
  165   2HB   LEU  22           HB1      LEU  22  -9.853  -3.839  -1.168
  166    HG   LEU  22           HG       LEU  22 -10.287  -4.971  -3.939
  167   1HD1  LEU  22          HD13      LEU  22 -10.722  -2.334  -2.700
  168   2HD1  LEU  22          HD12      LEU  22  -9.657  -2.239  -4.094
  169   3HD1  LEU  22          HD11      LEU  22 -11.259  -2.944  -4.260
  170   1HD2  LEU  22          HD22      LEU  22  -7.844  -3.822  -2.589
  171   2HD2  LEU  22          HD21      LEU  22  -7.968  -5.256  -3.613
  172   3HD2  LEU  22          HD23      LEU  22  -8.060  -3.649  -4.327
  173    H    VAL  23           HN       VAL  23  -7.114  -5.513  -2.055
  174    HA   VAL  23           HA       VAL  23  -6.232  -4.931   0.721
  175    HB   VAL  23           HB       VAL  23  -4.971  -7.013  -1.098
  176   1HG1  VAL  23          HG12      VAL  23  -4.021  -5.656   1.424
  177   2HG1  VAL  23          HG11      VAL  23  -3.455  -7.270   0.998
  178   3HG1  VAL  23          HG13      VAL  23  -3.145  -5.911  -0.083
  179   1HG2  VAL  23          HG23      VAL  23  -6.301  -7.175   1.619
  180   2HG2  VAL  23          HG22      VAL  23  -6.878  -7.899   0.116
  181   3HG2  VAL  23          HG21      VAL  23  -5.403  -8.498   0.876
  182    H    VAL  24           HN       VAL  24  -5.233  -2.998   0.553
  183    HA   VAL  24           HA       VAL  24  -3.804  -2.351  -1.997
  184    HB   VAL  24           HB       VAL  24  -4.683  -0.430   0.190
  185   1HG1  VAL  24          HG11      VAL  24  -2.783   0.250  -1.306
  186   2HG1  VAL  24          HG13      VAL  24  -3.856   0.044  -2.690
  187   3HG1  VAL  24          HG12      VAL  24  -4.207   1.275  -1.479
  188   1HG2  VAL  24          HG21      VAL  24  -6.027  -1.283  -2.388
  189   2HG2  VAL  24          HG23      VAL  24  -6.693  -1.348  -0.756
  190   3HG2  VAL  24          HG22      VAL  24  -6.436   0.209  -1.542
  191    H    VAL  25           HN       VAL  25  -1.608  -1.795  -1.869
  192    HA   VAL  25           HA       VAL  25  -0.329  -2.007   0.845
  193    HB   VAL  25           HB       VAL  25   0.831  -2.955  -1.793
  194   1HG1  VAL  25          HG11      VAL  25   2.439  -2.231  -0.003
  195   2HG1  VAL  25          HG13      VAL  25   1.704  -3.427   1.061
  196   3HG1  VAL  25          HG12      VAL  25   2.552  -3.946  -0.392
  197   1HG2  VAL  25          HG23      VAL  25  -1.177  -4.275  -0.909
  198   2HG2  VAL  25          HG22      VAL  25   0.315  -5.191  -1.100
  199   3HG2  VAL  25          HG21      VAL  25  -0.187  -4.647   0.499
  200    H    ASP  26           HN       ASP  26   0.726  -0.189   1.382
  201    HA   ASP  26           HA       ASP  26   1.440   1.755  -0.783
  202   1HB   ASP  26           HB2      ASP  26   0.031   2.570   1.085
  203   2HB   ASP  26           HB1      ASP  26   1.289   2.129   2.234
  204    H    PHE  27           HN       PHE  27   3.507   1.690  -1.436
  205    HA   PHE  27           HA       PHE  27   5.626   0.551   0.314
  206   1HB   PHE  27           HB2      PHE  27   5.447   1.196  -2.635
  207   2HB   PHE  27           HB1      PHE  27   6.993   0.835  -1.864
  208    HD1  PHE  27           HD1      PHE  27   7.240  -1.355  -0.596
  209    HD2  PHE  27           HD2      PHE  27   3.956  -0.557  -3.253
  210    HE1  PHE  27           HE1      PHE  27   6.798  -3.784  -0.782
  211    HE2  PHE  27           HE2      PHE  27   3.513  -2.992  -3.416
  212    HZ   PHE  27           HZ       PHE  27   4.934  -4.602  -2.189
  213    H    SER  28           HN       SER  28   4.379   3.337   0.576
  214    HA   SER  28           HA       SER  28   6.219   5.304  -0.289
  215   1HB   SER  28           HB2      SER  28   4.558   5.298   2.244
  216   2HB   SER  28           HB1      SER  28   5.308   6.713   1.517
  217    HG   SER  28           HG       SER  28   2.997   6.180   0.994
  218    H    ALA  29           HN       ALA  29   7.967   6.299   0.685
  219    HA   ALA  29           HA       ALA  29   9.512   4.585   2.521
  220   1HB   ALA  29           HB3      ALA  29  10.074   6.968   0.780
  221   2HB   ALA  29           HB2      ALA  29  11.154   6.670   2.144
  222   3HB   ALA  29           HB1      ALA  29  10.948   5.444   0.890
  223    H    THR  30           HN       THR  30   9.423   4.914   4.687
  224    HA   THR  30           HA       THR  30   7.863   7.045   5.798
  225    HB   THR  30           HB       THR  30   8.215   4.922   6.994
  226    HG1  THR  30           HG1      THR  30   8.139   7.190   8.032
  227   1HG2  THR  30          HG23      THR  30  10.560   4.560   6.227
  228   2HG2  THR  30          HG22      THR  30  11.085   5.832   7.329
  229   3HG2  THR  30          HG21      THR  30  10.371   4.353   7.969
  230    H    TRP  31           HN       TRP  31  11.316   6.632   5.132
  231    HA   TRP  31           HA       TRP  31  12.152   9.024   6.548
  232   1HB   TRP  31           HB2      TRP  31  14.247   8.785   5.342
  233   2HB   TRP  31           HB1      TRP  31  13.712   7.207   5.920
  234    HD1  TRP  31           HD1      TRP  31  13.183   5.393   4.185
  235    HE1  TRP  31           HE1      TRP  31  13.402   5.227   1.622
  236    HE3  TRP  31           HE3      TRP  31  13.931  10.309   3.047
  237    HZ2  TRP  31           HZ2      TRP  31  13.809   6.950  -0.612
  238    HZ3  TRP  31           HZ3      TRP  31  14.210  11.021   0.690
  239    HH2  TRP  31           HH2      TRP  31  14.151   9.348  -1.141
  240    H    CYS  32           HN       CYS  32  10.717   8.499   3.397
  241    HA   CYS  32           HA       CYS  32  11.612  11.118   2.387
  242   1HB   CYS  32           HB2      CYS  32  11.117   9.052   0.935
  243   2HB   CYS  32           HB1      CYS  32   9.416   9.369   1.239
  244    H    GLY  33           HN       GLY  33  10.728  12.898   3.272
  245   1HA   GLY  33           HA2      GLY  33   8.386  12.945   4.856
  246   2HA   GLY  33           HA1      GLY  33   9.139  14.369   4.146
  247    HA   PRO  34           HA       PRO  34   6.117  14.873   0.949
  248   1HB   PRO  34           HB2      PRO  34   7.494  13.214  -1.118
  249   2HB   PRO  34           HB1      PRO  34   6.975  14.907  -1.196
  250   1HG   PRO  34           HG2      PRO  34   9.592  14.164  -0.933
  251   2HG   PRO  34           HG1      PRO  34   8.956  15.692  -0.305
  252   1HD   PRO  34           HD2      PRO  34   9.802  13.277   1.188
  253   2HD   PRO  34           HD1      PRO  34   9.642  14.947   1.770
  254    H    ALA  35           HN       ALA  35   7.369  11.521   0.960
  255    HA   ALA  35           HA       ALA  35   4.821  10.418   0.063
  256   1HB   ALA  35           HB2      ALA  35   7.310   9.431  -0.064
  257   2HB   ALA  35           HB1      ALA  35   6.838   8.693   1.464
  258   3HB   ALA  35           HB3      ALA  35   5.904   8.371   0.001
  259    H    LYS  36           HN       LYS  36   6.553  10.504   3.198
  260    HA   LYS  36           HA       LYS  36   4.574   9.129   4.720
  261   1HB   LYS  36           HB2      LYS  36   6.900   9.734   5.497
  262   2HB   LYS  36           HB1      LYS  36   6.341  11.392   5.701
  263   1HG   LYS  36           HG2      LYS  36   4.509  10.453   7.212
  264   2HG   LYS  36           HG1      LYS  36   5.385   8.922   7.167
  265   1HD   LYS  36           HD2      LYS  36   7.418  10.083   8.019
  266   2HD   LYS  36           HD1      LYS  36   6.493  11.579   8.129
  267   1HE   LYS  36           HE2      LYS  36   4.962  10.554   9.742
  268   2HE   LYS  36           HE1      LYS  36   5.801   9.012   9.591
  269   1HZ   LYS  36           HZ3      LYS  36   7.745  10.894  10.158
  270   2HZ   LYS  36           HZ2      LYS  36   6.456  11.243  11.209
  271   3HZ   LYS  36           HZ1      LYS  36   7.150   9.692  11.196
  272    H    MET  37           HN       MET  37   4.798  12.454   3.634
  273    HA   MET  37           HA       MET  37   2.825  13.638   5.300
  274   1HB   MET  37           HB2      MET  37   4.393  14.846   3.742
  275   2HB   MET  37           HB1      MET  37   3.392  14.312   2.397
  276   1HG   MET  37           HG2      MET  37   2.201  15.812   4.731
  277   2HG   MET  37           HG1      MET  37   2.924  16.663   3.368
  278   1HE   MET  37           HE1      MET  37   0.346  17.509   3.904
  279   2HE   MET  37           HE3      MET  37   0.882  17.852   2.253
  280   3HE   MET  37           HE2      MET  37  -0.737  17.222   2.544
  281    H    ILE  38           HN       ILE  38   2.527  11.600   2.463
  282    HA   ILE  38           HA       ILE  38  -0.310  12.163   2.085
  283    HB   ILE  38           HB       ILE  38   1.188   9.794   0.945
  284   1HG1  ILE  38          HG12      ILE  38   1.064  12.586  -0.242
  285   2HG1  ILE  38          HG11      ILE  38   2.471  11.952   0.604
  286   1HG2  ILE  38          HG23      ILE  38  -1.187  11.461   0.057
  287   2HG2  ILE  38          HG22      ILE  38  -0.388  10.287  -0.983
  288   3HG2  ILE  38          HG21      ILE  38  -1.182   9.753   0.493
  289   1HD1  ILE  38          HD13      ILE  38   2.275   9.953  -1.072
  290   2HD1  ILE  38          HD12      ILE  38   1.308  11.081  -2.021
  291   3HD1  ILE  38          HD11      ILE  38   2.979  11.472  -1.618
  292    H    LYS  39           HN       LYS  39   1.301  10.284   4.390
  293    HA   LYS  39           HA       LYS  39  -0.257   7.932   4.322
  294   1HB   LYS  39           HB2      LYS  39   0.553   7.346   6.431
  295   2HB   LYS  39           HB1      LYS  39   1.824   8.331   5.736
  296   1HG   LYS  39           HG2      LYS  39   1.389  10.147   7.166
  297   2HG   LYS  39           HG1      LYS  39  -0.239   9.609   7.555
  298   1HD   LYS  39           HD2      LYS  39   2.306   8.189   8.386
  299   2HD   LYS  39           HD1      LYS  39   1.374   9.271   9.417
  300   1HE   LYS  39           HE2      LYS  39   0.396   7.299  10.085
  301   2HE   LYS  39           HE1      LYS  39  -0.603   7.563   8.657
  302   1HZ   LYS  39           HZ3      LYS  39   1.712   6.353   7.770
  303   2HZ   LYS  39           HZ2      LYS  39   1.276   5.509   9.180
  304   3HZ   LYS  39           HZ1      LYS  39   0.174   5.648   7.893
  305    HA   PRO  40           HA       PRO  40  -3.369  10.075   7.401
  306   1HB   PRO  40           HB2      PRO  40  -3.778  12.574   5.821
  307   2HB   PRO  40           HB1      PRO  40  -3.720  12.352   7.578
  308   1HG   PRO  40           HG2      PRO  40  -1.695  13.529   6.289
  309   2HG   PRO  40           HG1      PRO  40  -1.388  12.425   7.639
  310   1HD   PRO  40           HD2      PRO  40  -1.131  11.913   4.700
  311   2HD   PRO  40           HD1      PRO  40  -0.067  11.368   6.012
  312    H    PHE  41           HN       PHE  41  -3.395  10.732   3.881
  313    HA   PHE  41           HA       PHE  41  -6.248  10.239   3.655
  314   1HB   PHE  41           HB2      PHE  41  -4.015  10.137   1.599
  315   2HB   PHE  41           HB1      PHE  41  -5.724   9.988   1.220
  316    HD1  PHE  41           HD2      PHE  41  -3.267  12.250   2.883
  317    HD2  PHE  41           HD1      PHE  41  -7.043  11.892   0.872
  318    HE1  PHE  41           HE2      PHE  41  -3.475  14.722   2.841
  319    HE2  PHE  41           HE1      PHE  41  -7.254  14.367   0.831
  320    HZ   PHE  41           HZ       PHE  41  -5.465  15.780   1.812
  321    H    PHE  42           HN       PHE  42  -3.342   8.324   2.867
  322    HA   PHE  42           HA       PHE  42  -4.691   5.904   2.191
  323   1HB   PHE  42           HB2      PHE  42  -2.294   6.359   1.717
  324   2HB   PHE  42           HB1      PHE  42  -1.945   6.299   3.447
  325    HD1  PHE  42           HD1      PHE  42  -3.125   4.297   0.543
  326    HD2  PHE  42           HD2      PHE  42  -1.731   4.219   4.607
  327    HE1  PHE  42           HE1      PHE  42  -2.914   1.830   0.425
  328    HE2  PHE  42           HE2      PHE  42  -1.527   1.748   4.491
  329    HZ   PHE  42           HZ       PHE  42  -2.117   0.552   2.398
  330    H    HIS  43           HN       HIS  43  -3.346   7.036   5.273
  331    HA   HIS  43           HA       HIS  43  -4.182   4.744   6.793
  332   1HB   HIS  43           HB2      HIS  43  -2.373   6.230   7.537
  333   2HB   HIS  43           HB1      HIS  43  -3.511   7.568   7.688
  334    HD1  HIS  43           HD1      HIS  43  -2.383   4.440   9.374
  335    HD2  HIS  43           HD2      HIS  43  -5.336   7.326   9.869
  336    HE1  HIS  43           HE1      HIS  43  -3.457   3.983  11.624
  337    H    SER  44           HN       SER  44  -5.634   7.980   6.355
  338    HA   SER  44           HA       SER  44  -7.846   7.594   8.099
  339   1HB   SER  44           HB2      SER  44  -7.670   9.311   5.616
  340   2HB   SER  44           HB1      SER  44  -8.953   9.402   6.817
  341    HG   SER  44           HG       SER  44  -7.671  10.600   7.948
  342    H    LEU  45           HN       LEU  45  -7.479   6.867   4.651
  343    HA   LEU  45           HA       LEU  45 -10.183   6.218   4.119
  344   1HB   LEU  45           HB2      LEU  45  -7.622   5.243   2.887
  345   2HB   LEU  45           HB1      LEU  45  -9.196   4.820   2.244
  346    HG   LEU  45           HG       LEU  45  -8.475   7.720   2.730
  347   1HD1  LEU  45          HD13      LEU  45  -7.807   6.023   0.307
  348   2HD1  LEU  45          HD12      LEU  45  -7.833   7.786   0.284
  349   3HD1  LEU  45          HD11      LEU  45  -6.682   6.934   1.313
  350   1HD2  LEU  45          HD23      LEU  45 -10.434   6.246   0.948
  351   2HD2  LEU  45          HD22      LEU  45 -10.798   7.390   2.237
  352   3HD2  LEU  45          HD21      LEU  45 -10.062   7.956   0.742
  353    H    SER  46           HN       SER  46  -7.765   4.414   5.846
  354    HA   SER  46           HA       SER  46  -8.710   1.784   5.469
  355   1HB   SER  46           HB2      SER  46  -7.619   3.031   8.007
  356   2HB   SER  46           HB1      SER  46  -7.785   1.303   7.723
  357    HG   SER  46           HG       SER  46  -6.276   1.425   6.122
  358    H    GLU  47           HN       GLU  47  -9.903   4.356   7.570
  359    HA   GLU  47           HA       GLU  47 -12.009   2.588   8.644
  360   1HB   GLU  47           HB2      GLU  47 -11.379   5.536   9.028
  361   2HB   GLU  47           HB1      GLU  47 -12.754   4.733   9.782
  362   1HG   GLU  47           HG2      GLU  47  -9.865   3.868  10.131
  363   2HG   GLU  47           HG1      GLU  47 -10.756   4.866  11.282
  364    H    LYS  48           HN       LYS  48 -11.562   4.695   5.926
  365    HA   LYS  48           HA       LYS  48 -14.401   5.362   5.652
  366   1HB   LYS  48           HB2      LYS  48 -12.581   6.771   4.615
  367   2HB   LYS  48           HB1      LYS  48 -12.262   5.436   3.506
  368   1HG   LYS  48           HG2      LYS  48 -14.622   5.525   2.739
  369   2HG   LYS  48           HG1      LYS  48 -14.894   6.912   3.794
  370   1HD   LYS  48           HD2      LYS  48 -13.052   8.111   2.576
  371   2HD   LYS  48           HD1      LYS  48 -12.982   6.757   1.450
  372   1HE   LYS  48           HE2      LYS  48 -15.477   8.381   2.013
  373   2HE   LYS  48           HE1      LYS  48 -14.415   8.638   0.629
  374   1HZ   LYS  48           HZ2      LYS  48 -14.934   5.940   0.662
  375   2HZ   LYS  48           HZ1      LYS  48 -16.429   6.666   1.010
  376   3HZ   LYS  48           HZ3      LYS  48 -15.593   7.086  -0.404
  377    H    TYR  49           HN       TYR  49 -12.141   2.938   4.501
  378    HA   TYR  49           HA       TYR  49 -14.479   1.364   3.428
  379   1HB   TYR  49           HB2      TYR  49 -11.627   1.443   2.375
  380   2HB   TYR  49           HB1      TYR  49 -12.888   0.351   1.806
  381    HD1  TYR  49           HD2      TYR  49 -15.127   1.468   1.044
  382    HD2  TYR  49           HD1      TYR  49 -11.377   3.543   1.331
  383    HE1  TYR  49           HE2      TYR  49 -15.974   3.215  -0.496
  384    HE2  TYR  49           HE1      TYR  49 -12.226   5.286  -0.214
  385    HH   TYR  49           HH       TYR  49 -13.915   5.954  -1.483
  386    H    SER  50           HN       SER  50 -14.317   0.839   5.856
  387    HA   SER  50           HA       SER  50 -12.145  -0.720   6.864
  388   1HB   SER  50           HB2      SER  50 -13.624  -1.248   8.683
  389   2HB   SER  50           HB1      SER  50 -13.963   0.405   8.208
  390    HG   SER  50           HG       SER  50 -15.384  -1.805   7.155
  391    H    ASN  51           HN       ASN  51 -14.358  -1.369   4.435
  392    HA   ASN  51           HA       ASN  51 -14.473  -4.289   4.879
  393   1HB   ASN  51           HB2      ASN  51 -16.389  -2.902   3.891
  394   2HB   ASN  51           HB1      ASN  51 -15.392  -2.741   2.445
  395   1HD2  ASN  51          HD22      ASN  51 -16.255  -5.931   1.244
  396   2HD2  ASN  51          HD21      ASN  51 -15.579  -4.405   0.930
  397    H    VAL  52           HN       VAL  52 -12.160  -2.254   3.966
  398    HA   VAL  52           HA       VAL  52 -10.924  -4.173   2.037
  399    HB   VAL  52           HB       VAL  52 -10.896  -1.138   1.990
  400   1HG1  VAL  52          HG11      VAL  52  -8.953  -3.128   0.857
  401   2HG1  VAL  52          HG13      VAL  52  -9.366  -1.726  -0.134
  402   3HG1  VAL  52          HG12      VAL  52  -8.664  -1.502   1.467
  403   1HG2  VAL  52          HG21      VAL  52 -11.778  -3.298   0.058
  404   2HG2  VAL  52          HG23      VAL  52 -12.769  -2.046   0.803
  405   3HG2  VAL  52          HG22      VAL  52 -11.574  -1.614  -0.418
  406    H    ILE  53           HN       ILE  53  -8.710  -4.623   2.503
  407    HA   ILE  53           HA       ILE  53  -7.820  -3.614   5.184
  408    HB   ILE  53           HB       ILE  53  -6.555  -5.800   3.507
  409   1HG1  ILE  53          HG12      ILE  53  -8.857  -6.468   3.871
  410   2HG1  ILE  53          HG11      ILE  53  -7.857  -7.360   5.015
  411   1HG2  ILE  53          HG23      ILE  53  -5.467  -4.580   5.624
  412   2HG2  ILE  53          HG22      ILE  53  -6.533  -5.658   6.517
  413   3HG2  ILE  53          HG21      ILE  53  -5.325  -6.323   5.422
  414   1HD1  ILE  53          HD13      ILE  53  -8.376  -5.427   6.667
  415   2HD1  ILE  53          HD12      ILE  53  -9.667  -5.004   5.544
  416   3HD1  ILE  53          HD11      ILE  53  -9.663  -6.584   6.326
  417    H    PHE  54           HN       PHE  54  -6.341  -1.988   5.218
  418    HA   PHE  54           HA       PHE  54  -4.727  -1.432   2.755
  419   1HB   PHE  54           HB2      PHE  54  -5.253   0.231   5.240
  420   2HB   PHE  54           HB1      PHE  54  -4.191   0.725   3.926
  421    HD1  PHE  54           HD1      PHE  54  -7.691  -0.449   4.562
  422    HD2  PHE  54           HD2      PHE  54  -5.087   1.941   2.128
  423    HE1  PHE  54           HE1      PHE  54  -9.652   0.458   3.344
  424    HE2  PHE  54           HE2      PHE  54  -7.050   2.840   0.905
  425    HZ   PHE  54           HZ       PHE  54  -9.327   2.096   1.517
  426    H    LEU  55           HN       LEU  55  -2.574  -1.916   2.767
  427    HA   LEU  55           HA       LEU  55  -1.261  -2.531   5.396
  428   1HB   LEU  55           HB2      LEU  55  -0.637  -3.612   2.631
  429   2HB   LEU  55           HB1      LEU  55   0.424  -3.824   4.019
  430    HG   LEU  55           HG       LEU  55  -1.302  -5.087   5.193
  431   1HD1  LEU  55          HD13      LEU  55  -3.034  -4.168   2.926
  432   2HD1  LEU  55          HD12      LEU  55  -3.366  -5.738   3.663
  433   3HD1  LEU  55          HD11      LEU  55  -3.392  -4.286   4.649
  434   1HD2  LEU  55          HD21      LEU  55  -0.751  -5.930   2.346
  435   2HD2  LEU  55          HD23      LEU  55   0.080  -6.443   3.811
  436   3HD2  LEU  55          HD22      LEU  55  -1.567  -6.984   3.495
  437    H    GLU  56           HN       GLU  56   0.638  -1.551   5.866
  438    HA   GLU  56           HA       GLU  56   1.585   0.574   3.974
  439   1HB   GLU  56           HB2      GLU  56   0.741   1.275   6.290
  440   2HB   GLU  56           HB1      GLU  56   2.117   0.391   6.955
  441   1HG   GLU  56           HG2      GLU  56   3.646   1.770   5.557
  442   2HG   GLU  56           HG1      GLU  56   2.255   2.707   5.002
  443    H    VAL  57           HN       VAL  57   3.665   0.305   3.214
  444    HA   VAL  57           HA       VAL  57   5.380  -1.778   4.545
  445    HB   VAL  57           HB       VAL  57   5.050  -1.330   1.564
  446   1HG1  VAL  57          HG11      VAL  57   6.579  -3.372   3.191
  447   2HG1  VAL  57          HG13      VAL  57   6.365  -3.438   1.448
  448   3HG1  VAL  57          HG12      VAL  57   7.277  -2.114   2.167
  449   1HG2  VAL  57          HG23      VAL  57   4.071  -3.558   3.362
  450   2HG2  VAL  57          HG22      VAL  57   3.060  -2.357   2.570
  451   3HG2  VAL  57          HG21      VAL  57   3.953  -3.539   1.610
  452    H    ASP  58           HN       ASP  58   7.443  -1.090   4.940
  453    HA   ASP  58           HA       ASP  58   8.282   1.582   3.923
  454   1HB   ASP  58           HB2      ASP  58   8.450   0.925   6.386
  455   2HB   ASP  58           HB1      ASP  58   9.704  -0.219   5.889
  456    H    VAL  59           HN       VAL  59   9.579   1.589   2.107
  457    HA   VAL  59           HA       VAL  59  10.695  -0.869   1.047
  458    HB   VAL  59           HB       VAL  59  11.884   0.632  -0.530
  459   1HG1  VAL  59          HG11      VAL  59   9.004   1.374   0.058
  460   2HG1  VAL  59          HG13      VAL  59   9.852   1.795  -1.430
  461   3HG1  VAL  59          HG12      VAL  59   9.563   0.102  -1.027
  462   1HG2  VAL  59          HG23      VAL  59  10.871   2.759   1.371
  463   2HG2  VAL  59          HG22      VAL  59  12.539   2.431   0.906
  464   3HG2  VAL  59          HG21      VAL  59  11.416   3.120  -0.268
  465    H    ASP  60           HN       ASP  60  11.694   1.460   3.397
  466    HA   ASP  60           HA       ASP  60  14.546   0.700   3.230
  467   1HB   ASP  60           HB2      ASP  60  12.924   2.682   4.809
  468   2HB   ASP  60           HB1      ASP  60  14.583   2.323   5.265
  469    H    ASP  61           HN       ASP  61  11.861   0.304   5.613
  470    HA   ASP  61           HA       ASP  61  13.652  -1.484   7.211
  471   1HB   ASP  61           HB2      ASP  61  10.819  -0.545   7.813
  472   2HB   ASP  61           HB1      ASP  61  11.851  -1.485   8.885
  473    H    ALA  62           HN       ALA  62  11.294  -1.564   4.795
  474    HA   ALA  62           HA       ALA  62  10.898  -4.505   5.177
  475   1HB   ALA  62           HB1      ALA  62   8.885  -2.594   5.274
  476   2HB   ALA  62           HB3      ALA  62   8.830  -3.101   3.588
  477   3HB   ALA  62           HB2      ALA  62   8.633  -4.293   4.872
  478    H    GLN  63           HN       GLN  63  13.036  -3.278   3.840
  479    HA   GLN  63           HA       GLN  63  12.669  -2.870   1.063
  480   1HB   GLN  63           HB2      GLN  63  15.071  -3.230   0.874
  481   2HB   GLN  63           HB1      GLN  63  14.748  -2.335   2.360
  482   1HG   GLN  63           HG2      GLN  63  14.753  -4.546   3.587
  483   2HG   GLN  63           HG1      GLN  63  15.331  -5.298   2.101
  484   1HE2  GLN  63          HE22      GLN  63  18.363  -3.045   2.337
  485   2HE2  GLN  63          HE21      GLN  63  17.059  -3.102   1.252
  486    H    ASP  64           HN       ASP  64  12.827  -5.822   2.946
  487    HA   ASP  64           HA       ASP  64  13.412  -7.583   0.771
  488   1HB   ASP  64           HB2      ASP  64  12.327  -9.333   2.243
  489   2HB   ASP  64           HB1      ASP  64  13.621  -8.427   3.016
  490    H    VAL  65           HN       VAL  65  10.395  -6.223   2.041
  491    HA   VAL  65           HA       VAL  65   8.662  -7.805   0.368
  492    HB   VAL  65           HB       VAL  65   8.066  -5.029   1.416
  493   1HG1  VAL  65          HG13      VAL  65   6.461  -6.200  -0.136
  494   2HG1  VAL  65          HG12      VAL  65   6.291  -7.458   1.089
  495   3HG1  VAL  65          HG11      VAL  65   5.785  -5.805   1.446
  496   1HG2  VAL  65          HG22      VAL  65   8.250  -7.646   2.886
  497   2HG2  VAL  65          HG21      VAL  65   8.880  -6.075   3.358
  498   3HG2  VAL  65          HG23      VAL  65   7.148  -6.392   3.433
  499    H    ALA  66           HN       ALA  66   9.938  -4.485   0.101
  500    HA   ALA  66           HA       ALA  66   8.699  -3.969  -2.441
  501   1HB   ALA  66           HB3      ALA  66   9.700  -2.325  -0.647
  502   2HB   ALA  66           HB2      ALA  66  11.188  -2.531  -1.571
  503   3HB   ALA  66           HB1      ALA  66   9.740  -1.897  -2.356
  504    H    SER  67           HN       SER  67  11.904  -5.195  -1.526
  505    HA   SER  67           HA       SER  67  13.100  -4.995  -4.104
  506   1HB   SER  67           HB2      SER  67  14.685  -6.688  -3.308
  507   2HB   SER  67           HB1      SER  67  14.356  -5.526  -2.026
  508    HG   SER  67           HG       SER  67  12.568  -7.205  -1.567
  509    H    GLU  68           HN       GLU  68  10.918  -7.380  -2.733
  510    HA   GLU  68           HA       GLU  68  11.227  -9.357  -4.799
  511   1HB   GLU  68           HB2      GLU  68  10.161  -9.730  -2.541
  512   2HB   GLU  68           HB1      GLU  68   8.764  -8.819  -3.112
  513   1HG   GLU  68           HG2      GLU  68   9.839 -11.231  -4.594
  514   2HG   GLU  68           HG1      GLU  68   8.615 -11.368  -3.335
  515    H    ALA  69           HN       ALA  69   9.186  -6.495  -4.441
  516    HA   ALA  69           HA       ALA  69   7.743  -7.083  -6.937
  517   1HB   ALA  69           HB2      ALA  69   6.760  -5.976  -4.823
  518   2HB   ALA  69           HB1      ALA  69   7.575  -4.513  -5.373
  519   3HB   ALA  69           HB3      ALA  69   6.344  -5.270  -6.382
  520    H    GLU  70           HN       GLU  70  10.760  -5.840  -6.325
  521    HA   GLU  70           HA       GLU  70  12.212  -4.479  -7.568
  522   1HB   GLU  70           HB2      GLU  70  10.255  -5.315  -9.728
  523   2HB   GLU  70           HB1      GLU  70  11.726  -4.403 -10.057
  524   1HG   GLU  70           HG2      GLU  70  12.270  -6.704 -10.399
  525   2HG   GLU  70           HG1      GLU  70  13.000  -6.246  -8.863
  526    H    VAL  71           HN       VAL  71  10.539  -2.945  -6.051
  527    HA   VAL  71           HA       VAL  71   8.974  -1.081  -7.586
  528    HB   VAL  71           HB       VAL  71  10.334  -0.534  -4.927
  529   1HG1  VAL  71          HG12      VAL  71   7.944   0.621  -6.396
  530   2HG1  VAL  71          HG11      VAL  71   8.269   0.939  -4.695
  531   3HG1  VAL  71          HG13      VAL  71   9.425   1.455  -5.927
  532   1HG2  VAL  71          HG23      VAL  71   7.774  -2.009  -5.618
  533   2HG2  VAL  71          HG22      VAL  71   9.087  -2.545  -4.573
  534   3HG2  VAL  71          HG21      VAL  71   8.010  -1.255  -4.042
  535    H    LYS  72           HN       LYS  72   9.618   0.674  -8.732
  536    HA   LYS  72           HA       LYS  72  12.525   1.290  -8.778
  537   1HB   LYS  72           HB2      LYS  72  10.332   1.912 -10.767
  538   2HB   LYS  72           HB1      LYS  72  12.047   2.256 -10.993
  539   1HG   LYS  72           HG2      LYS  72  11.107  -0.559 -10.398
  540   2HG   LYS  72           HG1      LYS  72  11.099   0.068 -12.043
  541   1HD   LYS  72           HD2      LYS  72  13.531   0.606 -11.805
  542   2HD   LYS  72           HD1      LYS  72  13.511  -0.161 -10.217
  543   1HE   LYS  72           HE2      LYS  72  12.692  -2.262 -11.272
  544   2HE   LYS  72           HE1      LYS  72  12.849  -1.493 -12.854
  545   1HZ   LYS  72           HZ1      LYS  72  15.227  -1.135 -11.389
  546   2HZ   LYS  72           HZ3      LYS  72  14.825  -2.781 -11.384
  547   3HZ   LYS  72           HZ2      LYS  72  14.998  -1.956 -12.860
  548    H    ALA  73           HN       ALA  73   9.559   2.612  -7.660
  549    HA   ALA  73           HA       ALA  73  10.940   5.044  -6.849
  550   1HB   ALA  73           HB1      ALA  73  10.247   5.419  -9.284
  551   2HB   ALA  73           HB3      ALA  73   8.592   5.469  -8.678
  552   3HB   ALA  73           HB2      ALA  73   9.776   6.653  -8.116
  553    H    THR  74           HN       THR  74   9.721   6.308  -5.325
  554    HA   THR  74           HA       THR  74   7.196   5.020  -4.335
  555    HB   THR  74           HB       THR  74   7.932   5.466  -2.057
  556    HG1  THR  74           HG1      THR  74   9.685   6.691  -1.631
  557   1HG2  THR  74          HG22      THR  74   8.934   3.483  -3.227
  558   2HG2  THR  74          HG21      THR  74  10.362   4.470  -3.525
  559   3HG2  THR  74          HG23      THR  74   9.881   4.096  -1.872
  560    HA   PRO  75           HA       PRO  75   5.806   5.690  -2.549
  561   1HB   PRO  75           HB2      PRO  75   3.234   6.709  -2.595
  562   2HB   PRO  75           HB1      PRO  75   4.467   7.156  -1.407
  563   1HG   PRO  75           HG2      PRO  75   3.439   8.718  -3.708
  564   2HG   PRO  75           HG1      PRO  75   4.177   9.285  -2.206
  565   1HD   PRO  75           HD2      PRO  75   5.446   9.142  -4.747
  566   2HD   PRO  75           HD1      PRO  75   6.254   9.429  -3.181
  567    H    THR  76           HN       THR  76   4.804   3.840  -3.225
  568    HA   THR  76           HA       THR  76   3.396   3.878  -5.869
  569    HB   THR  76           HB       THR  76   5.312   1.746  -4.895
  570    HG1  THR  76           HG1      THR  76   6.465   2.470  -6.776
  571   1HG2  THR  76          HG21      THR  76   3.489   1.983  -7.285
  572   2HG2  THR  76          HG23      THR  76   4.935   0.973  -7.333
  573   3HG2  THR  76          HG22      THR  76   3.661   0.634  -6.162
  574    H    PHE  77           HN       PHE  77   1.525   2.803  -5.878
  575    HA   PHE  77           HA       PHE  77   0.716   1.327  -3.398
  576   1HB   PHE  77           HB2      PHE  77  -0.980   2.763  -5.468
  577   2HB   PHE  77           HB1      PHE  77  -1.594   1.929  -4.033
  578    HD1  PHE  77           HD1      PHE  77  -1.169   2.804  -1.783
  579    HD2  PHE  77           HD2      PHE  77   0.211   4.870  -5.286
  580    HE1  PHE  77           HE1      PHE  77  -0.729   4.824  -0.413
  581    HE2  PHE  77           HE2      PHE  77   0.651   6.896  -3.917
  582    HZ   PHE  77           HZ       PHE  77   0.182   6.872  -1.478
  583    H    GLN  78           HN       GLN  78   0.281  -0.815  -3.638
  584    HA   GLN  78           HA       GLN  78  -0.175  -1.870  -6.423
  585   1HB   GLN  78           HB2      GLN  78   1.301  -3.180  -4.116
  586   2HB   GLN  78           HB1      GLN  78   0.941  -3.957  -5.661
  587   1HG   GLN  78           HG2      GLN  78   2.155  -1.974  -6.754
  588   2HG   GLN  78           HG1      GLN  78   2.758  -1.594  -5.143
  589   1HE2  GLN  78          HE22      GLN  78   5.266  -3.830  -6.760
  590   2HE2  GLN  78          HE21      GLN  78   4.649  -2.281  -7.074
  591    H    PHE  79           HN       PHE  79  -1.915  -3.163  -6.652
  592    HA   PHE  79           HA       PHE  79  -3.647  -3.522  -4.235
  593   1HB   PHE  79           HB2      PHE  79  -4.266  -3.464  -7.199
  594   2HB   PHE  79           HB1      PHE  79  -5.458  -3.809  -5.940
  595    HD1  PHE  79           HD2      PHE  79  -3.068  -1.268  -7.209
  596    HD2  PHE  79           HD1      PHE  79  -6.345  -2.069  -4.557
  597    HE1  PHE  79           HE2      PHE  79  -3.289   1.158  -6.754
  598    HE2  PHE  79           HE1      PHE  79  -6.569   0.356  -4.098
  599    HZ   PHE  79           HZ       PHE  79  -5.044   1.972  -5.198
  600    H    PHE  80           HN       PHE  80  -4.199  -5.487  -3.533
  601    HA   PHE  80           HA       PHE  80  -3.576  -7.858  -5.236
  602   1HB   PHE  80           HB2      PHE  80  -3.029  -7.489  -2.288
  603   2HB   PHE  80           HB1      PHE  80  -3.008  -9.058  -3.088
  604    HD1  PHE  80           HD2      PHE  80  -1.310  -5.775  -2.798
  605    HD2  PHE  80           HD1      PHE  80  -1.276  -9.657  -4.661
  606    HE1  PHE  80           HE2      PHE  80   1.028  -5.415  -3.537
  607    HE2  PHE  80           HE1      PHE  80   1.062  -9.283  -5.398
  608    HZ   PHE  80           HZ       PHE  80   2.213  -7.159  -4.835
  609    H    LYS  81           HN       LYS  81  -5.007  -9.607  -5.007
  610    HA   LYS  81           HA       LYS  81  -7.282  -9.362  -3.140
  611   1HB   LYS  81           HB2      LYS  81  -7.769  -8.089  -5.347
  612   2HB   LYS  81           HB1      LYS  81  -7.819  -9.680  -6.101
  613   1HG   LYS  81           HG2      LYS  81  -9.547 -10.365  -4.431
  614   2HG   LYS  81           HG1      LYS  81  -9.549  -8.715  -3.811
  615   1HD   LYS  81           HD2      LYS  81 -10.065  -7.945  -6.179
  616   2HD   LYS  81           HD1      LYS  81 -10.339  -9.641  -6.579
  617   1HE   LYS  81           HE2      LYS  81 -11.764  -8.157  -4.355
  618   2HE   LYS  81           HE1      LYS  81 -12.441  -8.440  -5.961
  619   1HZ   LYS  81           HZ3      LYS  81 -12.051 -10.854  -5.559
  620   2HZ   LYS  81           HZ2      LYS  81 -11.660 -10.473  -3.950
  621   3HZ   LYS  81           HZ1      LYS  81 -13.218 -10.156  -4.545
  622    H    LYS  82           HN       LYS  82  -7.620 -11.388  -2.375
  623    HA   LYS  82           HA       LYS  82  -7.534 -13.718  -2.159
  624   1HB   LYS  82           HB2      LYS  82  -7.706 -13.634  -5.198
  625   2HB   LYS  82           HB1      LYS  82  -7.868 -15.084  -4.216
  626   1HG   LYS  82           HG2      LYS  82  -9.765 -13.891  -2.995
  627   2HG   LYS  82           HG1      LYS  82  -9.703 -12.684  -4.278
  628   1HD   LYS  82           HD2      LYS  82  -9.972 -14.560  -5.948
  629   2HD   LYS  82           HD1      LYS  82 -10.251 -15.650  -4.591
  630   1HE   LYS  82           HE2      LYS  82 -12.401 -14.910  -5.467
  631   2HE   LYS  82           HE1      LYS  82 -12.156 -14.198  -3.875
  632   1HZ   LYS  82           HZ3      LYS  82 -11.277 -12.202  -5.040
  633   2HZ   LYS  82           HZ2      LYS  82 -11.787 -12.893  -6.506
  634   3HZ   LYS  82           HZ1      LYS  82 -12.924 -12.498  -5.308
  635    H    GLY  83           HN       GLY  83  -5.037 -12.098  -2.473
  636   1HA   GLY  83           HA2      GLY  83  -2.755 -12.691  -2.341
  637   2HA   GLY  83           HA1      GLY  83  -3.200 -14.346  -2.752
  638    H    GLN  84           HN       GLN  84  -4.371 -11.815  -4.823
  639    HA   GLN  84           HA       GLN  84  -2.222 -12.423  -6.813
  640   1HB   GLN  84           HB2      GLN  84  -5.207 -12.279  -7.281
  641   2HB   GLN  84           HB1      GLN  84  -4.003 -12.342  -8.569
  642   1HG   GLN  84           HG2      GLN  84  -3.132 -14.469  -7.592
  643   2HG   GLN  84           HG1      GLN  84  -4.443 -14.427  -6.414
  644   1HE2  GLN  84          HE22      GLN  84  -6.831 -14.633  -9.352
  645   2HE2  GLN  84          HE21      GLN  84  -6.471 -13.384  -8.258
  646    H    LYS  85           HN       LYS  85  -1.490 -10.699  -7.996
  647    HA   LYS  85           HA       LYS  85  -2.167  -8.001  -7.078
  648   1HB   LYS  85           HB2      LYS  85   0.140  -8.729  -7.727
  649   2HB   LYS  85           HB1      LYS  85  -0.417  -8.917  -9.387
  650   1HG   LYS  85           HG2      LYS  85  -1.079  -6.492  -9.371
  651   2HG   LYS  85           HG1      LYS  85  -0.331  -6.349  -7.780
  652   1HD   LYS  85           HD2      LYS  85   1.804  -7.245  -8.802
  653   2HD   LYS  85           HD1      LYS  85   1.033  -7.097 -10.380
  654   1HE   LYS  85           HE2      LYS  85   0.670  -4.681  -9.966
  655   2HE   LYS  85           HE1      LYS  85   1.479  -4.835  -8.408
  656   1HZ   LYS  85           HZ2      LYS  85   2.991  -5.904 -10.615
  657   2HZ   LYS  85           HZ1      LYS  85   2.699  -4.235 -10.742
  658   3HZ   LYS  85           HZ3      LYS  85   3.480  -4.856  -9.370
  659    H    VAL  86           HN       VAL  86  -3.666  -6.691  -7.990
  660    HA   VAL  86           HA       VAL  86  -4.721  -7.379 -10.711
  661    HB   VAL  86           HB       VAL  86  -6.897  -6.397  -9.854
  662   1HG1  VAL  86          HG12      VAL  86  -6.296  -8.901  -9.942
  663   2HG1  VAL  86          HG11      VAL  86  -6.010  -8.776  -8.207
  664   3HG1  VAL  86          HG13      VAL  86  -7.612  -8.438  -8.864
  665   1HG2  VAL  86          HG22      VAL  86  -5.883  -5.170  -7.952
  666   2HG2  VAL  86          HG21      VAL  86  -7.155  -6.263  -7.409
  667   3HG2  VAL  86          HG23      VAL  86  -5.463  -6.704  -7.196
  668    H    GLY  87           HN       GLY  87  -2.797  -5.165  -9.265
  669   1HA   GLY  87           HA2      GLY  87  -3.024  -3.247 -11.306
  670   2HA   GLY  87           HA1      GLY  87  -4.115  -2.704 -10.039
  671    H    GLU  88           HN       GLU  88  -1.856  -1.269 -10.920
  672    HA   GLU  88           HA       GLU  88  -0.574  -0.732  -8.379
  673   1HB   GLU  88           HB2      GLU  88   0.869  -2.565  -8.948
  674   2HB   GLU  88           HB1      GLU  88   1.042  -1.998 -10.604
  675   1HG   GLU  88           HG2      GLU  88   1.901  -0.251  -8.294
  676   2HG   GLU  88           HG1      GLU  88   2.965  -1.522  -8.890
  677    H    PHE  89           HN       PHE  89   0.500   1.288  -8.384
  678    HA   PHE  89           HA       PHE  89   1.036   2.695 -10.857
  679   1HB   PHE  89           HB2      PHE  89  -0.611   4.379 -10.840
  680   2HB   PHE  89           HB1      PHE  89  -1.511   2.890 -10.597
  681    HD1  PHE  89           HD1      PHE  89  -0.014   5.814  -8.821
  682    HD2  PHE  89           HD2      PHE  89  -2.824   2.574  -8.635
  683    HE1  PHE  89           HE1      PHE  89  -0.973   6.769  -6.736
  684    HE2  PHE  89           HE2      PHE  89  -3.781   3.522  -6.550
  685    HZ   PHE  89           HZ       PHE  89  -2.861   5.621  -5.604
  686    H    SER  90           HN       SER  90   1.926   4.824 -10.485
  687    HA   SER  90           HA       SER  90   2.940   5.227  -7.694
  688   1HB   SER  90           HB2      SER  90   5.048   6.003  -8.679
  689   2HB   SER  90           HB1      SER  90   4.721   4.328  -9.135
  690    HG   SER  90           HG       SER  90   4.467   6.699 -10.654
  691    H    GLY  91           HN       GLY  91   3.580   7.408  -7.231
  692   1HA   GLY  91           HA2      GLY  91   3.612   9.783  -8.116
  693   2HA   GLY  91           HA1      GLY  91   2.018   9.451  -8.793
  694    H    ALA  92           HN       ALA  92   3.027  11.336  -6.591
  695    HA   ALA  92           HA       ALA  92   1.745  10.308  -4.176
  696   1HB   ALA  92           HB1      ALA  92   2.924  12.955  -4.991
  697   2HB   ALA  92           HB3      ALA  92   2.107  12.756  -3.444
  698   3HB   ALA  92           HB2      ALA  92   3.548  11.806  -3.819
  699    H    ASN  93           HN       ASN  93  -0.280   9.936  -5.741
  700    HA   ASN  93           HA       ASN  93  -2.075  12.330  -5.479
  701   1HB   ASN  93           HB2      ASN  93  -1.661  11.624  -7.845
  702   2HB   ASN  93           HB1      ASN  93  -2.340  10.046  -7.450
  703   1HD2  ASN  93          HD22      ASN  93  -4.826  13.133  -8.187
  704   2HD2  ASN  93          HD21      ASN  93  -3.144  13.267  -8.372
  705    H    LYS  94           HN       LYS  94  -3.009  11.903  -3.531
  706    HA   LYS  94           HA       LYS  94  -3.638   9.277  -2.552
  707   1HB   LYS  94           HB2      LYS  94  -4.973  10.563  -0.866
  708   2HB   LYS  94           HB1      LYS  94  -3.292  11.051  -0.998
  709   1HG   LYS  94           HG2      LYS  94  -5.082  12.535  -2.842
  710   2HG   LYS  94           HG1      LYS  94  -5.500  12.770  -1.154
  711   1HD   LYS  94           HD2      LYS  94  -3.017  13.293  -0.767
  712   2HD   LYS  94           HD1      LYS  94  -2.869  13.362  -2.525
  713   1HE   LYS  94           HE2      LYS  94  -4.670  15.072  -2.574
  714   2HE   LYS  94           HE1      LYS  94  -4.738  15.018  -0.812
  715   1HZ   LYS  94           HZ2      LYS  94  -2.255  15.507  -0.932
  716   2HZ   LYS  94           HZ1      LYS  94  -2.544  15.974  -2.542
  717   3HZ   LYS  94           HZ3      LYS  94  -3.326  16.784  -1.273
  718    H    GLU  95           HN       GLU  95  -5.527  11.639  -4.397
  719    HA   GLU  95           HA       GLU  95  -8.084  10.429  -3.923
  720   1HB   GLU  95           HB2      GLU  95  -7.116  12.037  -6.310
  721   2HB   GLU  95           HB1      GLU  95  -8.799  11.696  -5.913
  722   1HG   GLU  95           HG2      GLU  95  -8.445  12.807  -3.694
  723   2HG   GLU  95           HG1      GLU  95  -6.834  13.273  -4.243
  724    H    LYS  96           HN       LYS  96  -5.477   9.750  -6.121
  725    HA   LYS  96           HA       LYS  96  -6.836   8.162  -8.036
  726   1HB   LYS  96           HB2      LYS  96  -4.455   9.021  -8.075
  727   2HB   LYS  96           HB1      LYS  96  -4.032   7.713  -6.997
  728   1HG   LYS  96           HG2      LYS  96  -4.509   6.054  -8.603
  729   2HG   LYS  96           HG1      LYS  96  -5.440   7.168  -9.611
  730   1HD   LYS  96           HD2      LYS  96  -3.346   8.468 -10.039
  731   2HD   LYS  96           HD1      LYS  96  -2.443   7.259  -9.127
  732   1HE   LYS  96           HE2      LYS  96  -3.028   5.529 -10.726
  733   2HE   LYS  96           HE1      LYS  96  -4.132   6.623 -11.565
  734   1HZ   LYS  96           HZ2      LYS  96  -1.250   7.222 -11.252
  735   2HZ   LYS  96           HZ1      LYS  96  -1.849   6.338 -12.574
  736   3HZ   LYS  96           HZ3      LYS  96  -2.361   7.935 -12.319
  737    H    LEU  97           HN       LEU  97  -5.595   7.476  -4.822
  738    HA   LEU  97           HA       LEU  97  -5.820   4.637  -4.835
  739   1HB   LEU  97           HB2      LEU  97  -6.182   6.697  -2.643
  740   2HB   LEU  97           HB1      LEU  97  -6.287   4.979  -2.323
  741    HG   LEU  97           HG       LEU  97  -3.889   6.263  -3.630
  742   1HD1  LEU  97          HD12      LEU  97  -4.495   5.722  -0.710
  743   2HD1  LEU  97          HD11      LEU  97  -2.865   6.015  -1.317
  744   3HD1  LEU  97          HD13      LEU  97  -4.099   7.269  -1.452
  745   1HD2  LEU  97          HD23      LEU  97  -4.683   3.523  -3.196
  746   2HD2  LEU  97          HD22      LEU  97  -3.156   4.121  -3.836
  747   3HD2  LEU  97          HD21      LEU  97  -3.344   3.860  -2.107
  748    H    GLU  98           HN       GLU  98  -8.131   7.208  -4.191
  749    HA   GLU  98           HA       GLU  98 -10.280   5.543  -3.306
  750   1HB   GLU  98           HB2      GLU  98 -10.229   7.998  -2.996
  751   2HB   GLU  98           HB1      GLU  98 -10.445   8.213  -4.733
  752   1HG   GLU  98           HG2      GLU  98 -12.604   6.980  -4.602
  753   2HG   GLU  98           HG1      GLU  98 -12.390   6.830  -2.858
  754    H    ALA  99           HN       ALA  99  -9.452   6.696  -6.571
  755    HA   ALA  99           HA       ALA  99 -11.785   5.566  -7.805
  756   1HB   ALA  99           HB3      ALA  99 -10.405   7.338  -8.857
  757   2HB   ALA  99           HB2      ALA  99  -9.093   6.180  -9.063
  758   3HB   ALA  99           HB1      ALA  99 -10.615   5.953  -9.927
  759    H    THR 100           HN       THR 100  -8.475   4.278  -7.439
  760    HA   THR 100           HA       THR 100  -9.018   1.916  -8.963
  761    HB   THR 100           HB       THR 100  -6.995   2.174  -6.723
  762    HG1  THR 100           HG1      THR 100  -5.699   3.140  -8.169
  763   1HG2  THR 100          HG22      THR 100  -7.225   0.452  -9.205
  764   2HG2  THR 100          HG21      THR 100  -5.769   0.556  -8.216
  765   3HG2  THR 100          HG23      THR 100  -7.259  -0.087  -7.527
  766    H    ILE 101           HN       ILE 101  -9.344   2.639  -5.502
  767    HA   ILE 101           HA       ILE 101  -9.983  -0.024  -4.641
  768    HB   ILE 101           HB       ILE 101 -10.770   2.700  -3.560
  769   1HG1  ILE 101          HG12      ILE 101  -8.904   0.645  -2.351
  770   2HG1  ILE 101          HG11      ILE 101  -8.331   1.804  -3.549
  771   1HG2  ILE 101          HG21      ILE 101 -11.320  -0.077  -2.471
  772   2HG2  ILE 101          HG23      ILE 101 -11.327   1.362  -1.450
  773   3HG2  ILE 101          HG22      ILE 101 -12.482   1.214  -2.773
  774   1HD1  ILE 101          HD13      ILE 101  -9.199   3.654  -2.107
  775   2HD1  ILE 101          HD12      ILE 101  -9.622   2.455  -0.884
  776   3HD1  ILE 101          HD11      ILE 101  -7.933   2.705  -1.326
  777    H    ASN 102           HN       ASN 102 -12.039   2.682  -5.691
  778    HA   ASN 102           HA       ASN 102 -14.542   1.331  -5.490
  779   1HB   ASN 102           HB2      ASN 102 -14.329   3.777  -5.858
  780   2HB   ASN 102           HB1      ASN 102 -13.681   3.467  -7.473
  781   1HD2  ASN 102          HD22      ASN 102 -17.645   3.544  -6.985
  782   2HD2  ASN 102          HD21      ASN 102 -16.546   4.121  -5.827
  783    H    GLU 103           HN       GLU 103 -12.076   1.436  -7.981
  784    HA   GLU 103           HA       GLU 103 -13.570   0.143 -10.051
  785   1HB   GLU 103           HB2      GLU 103 -11.383   1.460 -10.245
  786   2HB   GLU 103           HB1      GLU 103 -10.577   0.019  -9.635
  787   1HG   GLU 103           HG2      GLU 103 -12.385  -0.036 -12.065
  788   2HG   GLU 103           HG1      GLU 103 -10.642   0.206 -12.168
  789    H    LEU 104           HN       LEU 104 -11.430  -1.105  -7.482
  790    HA   LEU 104           HA       LEU 104 -11.978  -3.892  -8.379
  791   1HB   LEU 104           HB2      LEU 104 -10.076  -2.809  -6.293
  792   2HB   LEU 104           HB1      LEU 104 -10.226  -4.503  -6.727
  793    HG   LEU 104           HG       LEU 104  -9.531  -2.332  -8.720
  794   1HD1  LEU 104          HD11      LEU 104  -7.776  -4.068  -6.984
  795   2HD1  LEU 104          HD13      LEU 104  -7.193  -3.343  -8.482
  796   3HD1  LEU 104          HD12      LEU 104  -7.742  -2.318  -7.159
  797   1HD2  LEU 104          HD21      LEU 104  -9.570  -5.359  -8.767
  798   2HD2  LEU 104          HD23      LEU 104 -10.286  -4.234  -9.921
  799   3HD2  LEU 104          HD22      LEU 104  -8.540  -4.454  -9.874
  800    H    VAL 105           HN       VAL 105 -13.391  -1.701  -6.252
  801    HA   VAL 105           HA       VAL 105 -13.772  -3.346  -3.929
  802    HB   VAL 105           HB       VAL 105 -14.323  -0.843  -4.167
  803   1HG1  VAL 105          HG11      VAL 105 -15.841  -1.409  -6.239
  804   2HG1  VAL 105          HG13      VAL 105 -17.067  -1.749  -5.018
  805   3HG1  VAL 105          HG12      VAL 105 -16.341  -0.143  -5.121
  806   1HG2  VAL 105          HG22      VAL 105 -14.899  -2.220  -2.182
  807   2HG2  VAL 105          HG21      VAL 105 -16.105  -0.972  -2.493
  808   3HG2  VAL 105          HG23      VAL 105 -16.432  -2.646  -2.944
  809    HA   PRO  59           HA       PRO 106  13.450  16.798 -14.181
  810   1HB   PRO  59           HB2      PRO 106  15.937  15.794 -13.416
  811   2HB   PRO  59           HB1      PRO 106  15.623  16.634 -14.948
  812   1HG   PRO  59           HG2      PRO 106  16.789  17.701 -12.415
  813   2HG   PRO  59           HG1      PRO 106  17.262  18.019 -14.094
  814   1HD   PRO  59           HD2      PRO 106  15.797  19.800 -12.685
  815   2HD   PRO  59           HD1      PRO 106  15.538  19.561 -14.429
  816    H    ALA  60           HN       ALA 107  14.341  17.854 -11.002
  817    HA   ALA  60           HA       ALA 107  13.830  15.213  -9.768
  818   1HB   ALA  60           HB2      ALA 107  14.496  17.917  -8.559
  819   2HB   ALA  60           HB1      ALA 107  14.382  16.404  -7.660
  820   3HB   ALA  60           HB3      ALA 107  15.643  16.613  -8.875
  821    H    THR  61           HN       THR 108  11.798  14.647  -9.129
  822    HA   THR  61           HA       THR 108   9.710  16.799  -8.900
  823    HB   THR  61           HB       THR 108   9.313  13.818  -9.314
  824    HG1  THR  61           HG1      THR 108  10.172  14.369 -11.178
  825   1HG2  THR  61          HG23      THR 108   7.445  15.406  -8.400
  826   2HG2  THR  61          HG22      THR 108   7.404  16.024 -10.050
  827   3HG2  THR  61          HG21      THR 108   7.065  14.323  -9.737
  828    H    LEU  62           HN       LEU 109   8.929  17.192  -6.902
  829    HA   LEU  62           HA       LEU 109   9.817  15.719  -4.580
  830   1HB   LEU  62           HB2      LEU 109   7.703  17.848  -4.975
  831   2HB   LEU  62           HB1      LEU 109   8.101  17.175  -3.398
  832    HG   LEU  62           HG       LEU 109  10.101  18.511  -5.248
  833   1HD1  LEU  62          HD11      LEU 109   8.305  20.024  -4.325
  834   2HD1  LEU  62          HD13      LEU 109   8.853  19.592  -2.706
  835   3HD1  LEU  62          HD12      LEU 109   9.937  20.445  -3.803
  836   1HD2  LEU  62          HD22      LEU 109  10.273  17.184  -2.552
  837   2HD2  LEU  62          HD21      LEU 109  11.442  17.198  -3.871
  838   3HD2  LEU  62          HD23      LEU 109  11.271  18.608  -2.832
  839    H    LYS  63           HN       LYS 110   7.047  15.530  -6.667
  840    HA   LYS  63           HA       LYS 110   5.247  14.171  -4.910
  841   1HB   LYS  63           HB2      LYS 110   5.505  13.935  -7.925
  842   2HB   LYS  63           HB1      LYS 110   4.096  13.477  -6.972
  843   1HG   LYS  63           HG2      LYS 110   5.226  16.277  -7.271
  844   2HG   LYS  63           HG1      LYS 110   3.738  15.674  -7.992
  845   1HD   LYS  63           HD2      LYS 110   3.050  15.160  -5.518
  846   2HD   LYS  63           HD1      LYS 110   4.327  16.298  -5.102
  847   1HE   LYS  63           HE2      LYS 110   2.265  17.542  -5.258
  848   2HE   LYS  63           HE1      LYS 110   3.240  17.955  -6.668
  849   1HZ   LYS  63           HZ1      LYS 110   1.745  15.700  -7.319
  850   2HZ   LYS  63           HZ3      LYS 110   0.679  16.793  -6.581
  851   3HZ   LYS  63           HZ2      LYS 110   1.579  17.274  -7.939
  852    H    ILE  64           HN       ILE 111   8.129  13.162  -6.489
  853    HA   ILE  64           HA       ILE 111   7.600  10.290  -5.745
  854    HB   ILE  64           HB       ILE 111   9.041  11.390  -8.187
  855   1HG1  ILE  64          HG12      ILE 111   6.606  11.342  -8.427
  856   2HG1  ILE  64          HG11      ILE 111   7.340  10.101  -9.437
  857   1HG2  ILE  64          HG21      ILE 111   8.893   8.598  -7.051
  858   2HG2  ILE  64          HG23      ILE 111   9.237   8.896  -8.754
  859   3HG2  ILE  64          HG22      ILE 111  10.328   9.515  -7.513
  860   1HD1  ILE  64          HD11      ILE 111   6.927   8.613  -7.225
  861   2HD1  ILE  64          HD13      ILE 111   5.651   9.803  -6.993
  862   3HD1  ILE  64          HD12      ILE 111   5.690   8.823  -8.456
  863    H    CYS  65           HN       CYS 112   9.331   9.274  -4.654
  864    HA   CYS  65           HA       CYS 112  11.704  10.985  -4.036
  865   1HB   CYS  65           HB2      CYS 112  11.075   8.380  -2.633
  866   2HB   CYS  65           HB1      CYS 112  12.026   9.740  -2.051
  867    H    SER  66           HN       SER 113  13.703  10.352  -4.864
  868    HA   SER  66           HA       SER 113  13.733   8.082  -6.723
  869   1HB   SER  66           HB2      SER 113  15.952   9.964  -5.866
  870   2HB   SER  66           HB1      SER 113  16.072   8.782  -7.166
  871    HG   SER  66           HG       SER 113  14.986  10.085  -8.401
  872    H    TRP  67           HN       TRP 114  14.827   6.135  -6.465
  873    HA   TRP  67           HA       TRP 114  15.455   5.301  -3.736
  874   1HB   TRP  67           HB2      TRP 114  15.724   3.912  -6.420
  875   2HB   TRP  67           HB1      TRP 114  16.156   3.148  -4.889
  876    HD1  TRP  67           HD1      TRP 114  13.119   5.179  -6.149
  877    HE1  TRP  67           HE1      TRP 114  10.977   3.993  -5.336
  878    HE3  TRP  67           HE3      TRP 114  15.168   1.221  -3.694
  879    HZ2  TRP  67           HZ2      TRP 114  10.264   1.692  -3.804
  880    HZ3  TRP  67           HZ3      TRP 114  13.748  -0.451  -2.570
  881    HH2  TRP  67           HH2      TRP 114  11.289  -0.222  -2.633
  882    H    ASN  68           HN       ASN 115  17.148   6.852  -6.234
  883    HA   ASN  68           HA       ASN 115  19.761   5.819  -6.042
  884   1HB   ASN  68           HB2      ASN 115  18.827   8.695  -6.361
  885   2HB   ASN  68           HB1      ASN 115  20.497   8.168  -6.589
  886   1HD2  ASN  68          HD22      ASN 115  18.470   5.941  -9.203
  887   2HD2  ASN  68          HD21      ASN 115  18.564   5.608  -7.541
  888    H    VAL  69           HN       VAL 116  17.826   7.210  -3.619
  889    HA   VAL  69           HA       VAL 116  19.771   8.562  -2.039
  890    HB   VAL  69           HB       VAL 116  18.259   7.973  -0.092
  891   1HG1  VAL  69          HG11      VAL 116  17.979   9.988  -1.602
  892   2HG1  VAL  69          HG13      VAL 116  16.776   9.058  -2.498
  893   3HG1  VAL  69          HG12      VAL 116  16.504   9.447  -0.799
  894   1HG2  VAL  69          HG23      VAL 116  17.499   5.789  -1.172
  895   2HG2  VAL  69          HG22      VAL 116  16.212   6.786  -0.499
  896   3HG2  VAL  69          HG21      VAL 116  16.493   6.764  -2.234
  897    H    ASP  70           HN       ASP 117  21.247   7.847  -0.570
  898    HA   ASP  70           HA       ASP 117  22.371   5.247  -0.817
  899   1HB   ASP  70           HB2      ASP 117  22.641   7.381   1.309
  900   2HB   ASP  70           HB1      ASP 117  23.596   5.897   1.318
  901    H    GLY  71           HN       GLY 118  20.054   6.573   1.517
  902   1HA   GLY  71           HA2      GLY 118  18.824   4.094   2.102
  903   2HA   GLY  71           HA1      GLY 118  20.082   4.343   3.313
   
  No H/Q in entry =         903
  Start of MODEL   13
    1   1H    MET   1           HT2      MET   1  -8.452  -2.882   8.768
    2   2H    MET   1           HT1      MET   1  -9.014  -3.333  10.307
    3   3H    MET   1           HT3      MET   1  -9.767  -2.065   9.469
    4    HA   MET   1           HA       MET   1  -8.375  -0.581  10.307
    5   1HB   MET   1           HB2      MET   1  -7.181  -3.005  11.695
    6   2HB   MET   1           HB1      MET   1  -6.886  -1.330  12.157
    7   1HG   MET   1           HG2      MET   1  -9.617  -2.658  12.102
    8   2HG   MET   1           HG1      MET   1  -8.653  -2.397  13.553
    9   1HE   MET   1           HE3      MET   1  -7.586  -0.205  14.080
   10   2HE   MET   1           HE2      MET   1  -8.578   1.242  14.224
   11   3HE   MET   1           HE1      MET   1  -9.063  -0.235  15.052
   12    H    VAL   2           HN       VAL   2  -5.655  -0.519  10.891
   13    HA   VAL   2           HA       VAL   2  -4.474  -0.901   8.173
   14    HB   VAL   2           HB       VAL   2  -3.573   0.701  10.586
   15   1HG1  VAL   2          HG12      VAL   2  -2.268   0.213   7.896
   16   2HG1  VAL   2          HG11      VAL   2  -1.882   1.617   8.894
   17   3HG1  VAL   2          HG13      VAL   2  -1.565  -0.010   9.498
   18   1HG2  VAL   2          HG21      VAL   2  -5.528   1.522   9.219
   19   2HG2  VAL   2          HG23      VAL   2  -4.143   2.612   9.216
   20   3HG2  VAL   2          HG22      VAL   2  -4.457   1.578   7.822
   21    H    LYS   3           HN       LYS   3  -2.583  -2.114   7.867
   22    HA   LYS   3           HA       LYS   3  -1.537  -3.662  10.214
   23   1HB   LYS   3           HB2      LYS   3  -3.057  -5.026   8.720
   24   2HB   LYS   3           HB1      LYS   3  -1.951  -4.708   7.391
   25   1HG   LYS   3           HG2      LYS   3  -1.185  -6.785   8.162
   26   2HG   LYS   3           HG1      LYS   3  -0.121  -5.671   9.011
   27   1HD   LYS   3           HD2      LYS   3  -1.438  -5.835  11.028
   28   2HD   LYS   3           HD1      LYS   3  -2.690  -6.756  10.192
   29   1HE   LYS   3           HE2      LYS   3  -1.096  -8.581   9.790
   30   2HE   LYS   3           HE1      LYS   3   0.170  -7.665  10.611
   31   1HZ   LYS   3           HZ1      LYS   3  -2.393  -8.243  11.950
   32   2HZ   LYS   3           HZ3      LYS   3  -1.144  -9.391  11.945
   33   3HZ   LYS   3           HZ2      LYS   3  -0.890  -7.863  12.643
   34    H    GLN   4           HN       GLN   4   0.625  -3.329  10.405
   35    HA   GLN   4           HA       GLN   4   2.089  -2.092   8.127
   36   1HB   GLN   4           HB2      GLN   4   2.230  -1.018  10.355
   37   2HB   GLN   4           HB1      GLN   4   2.895  -2.506  11.027
   38   1HG   GLN   4           HG2      GLN   4   4.827  -2.346   9.510
   39   2HG   GLN   4           HG1      GLN   4   4.154  -0.877   8.801
   40   1HE2  GLN   4          HE22      GLN   4   6.229   0.774  11.179
   41   2HE2  GLN   4          HE21      GLN   4   6.061   0.345   9.545
   42    H    ILE   5           HN       ILE   5   3.312  -3.394   6.850
   43    HA   ILE   5           HA       ILE   5   4.039  -6.123   7.839
   44    HB   ILE   5           HB       ILE   5   4.298  -4.995   5.044
   45   1HG1  ILE   5          HG12      ILE   5   1.961  -4.801   5.651
   46   2HG1  ILE   5          HG11      ILE   5   2.134  -6.215   4.612
   47   1HG2  ILE   5          HG21      ILE   5   4.180  -7.797   6.174
   48   2HG2  ILE   5          HG23      ILE   5   4.196  -7.404   4.465
   49   3HG2  ILE   5          HG22      ILE   5   5.589  -7.014   5.458
   50   1HD1  ILE   5          HD12      ILE   5   2.381  -7.556   6.819
   51   2HD1  ILE   5          HD11      ILE   5   1.717  -6.121   7.599
   52   3HD1  ILE   5          HD13      ILE   5   0.774  -6.980   6.384
   53    H    GLU   6           HN       GLU   6   6.052  -6.105   8.800
   54    HA   GLU   6           HA       GLU   6   8.103  -4.205   7.811
   55   1HB   GLU   6           HB2      GLU   6   8.132  -6.103  10.178
   56   2HB   GLU   6           HB1      GLU   6   9.358  -4.890   9.809
   57   1HG   GLU   6           HG2      GLU   6   8.021  -3.745  11.349
   58   2HG   GLU   6           HG1      GLU   6   7.338  -3.216   9.814
   59    H    SER   7           HN       SER   7   7.114  -7.284   7.010
   60    HA   SER   7           HA       SER   7   9.740  -7.841   5.779
   61   1HB   SER   7           HB2      SER   7   9.914 -10.103   6.745
   62   2HB   SER   7           HB1      SER   7  10.003  -8.858   7.992
   63    HG   SER   7           HG       SER   7   7.559 -10.059   7.237
   64    H    LYS   8           HN       LYS   8   9.680  -9.526   4.200
   65    HA   LYS   8           HA       LYS   8   7.273  -9.670   2.652
   66   1HB   LYS   8           HB2      LYS   8   9.669 -10.059   1.835
   67   2HB   LYS   8           HB1      LYS   8   9.540 -11.659   2.570
   68   1HG   LYS   8           HG2      LYS   8   7.525 -12.114   1.199
   69   2HG   LYS   8           HG1      LYS   8   7.717 -10.537   0.432
   70   1HD   LYS   8           HD2      LYS   8   8.669 -12.324  -0.978
   71   2HD   LYS   8           HD1      LYS   8   9.924 -11.213  -0.435
   72   1HE   LYS   8           HE2      LYS   8  10.865 -12.774   1.016
   73   2HE   LYS   8           HE1      LYS   8   9.351 -13.662   1.212
   74   1HZ   LYS   8           HZ2      LYS   8  10.777 -13.554  -1.379
   75   2HZ   LYS   8           HZ1      LYS   8  11.141 -14.728  -0.206
   76   3HZ   LYS   8           HZ3      LYS   8   9.583 -14.654  -0.873
   77    H    THR   9           HN       THR   9   8.651 -11.667   5.183
   78    HA   THR   9           HA       THR   9   7.079 -13.989   4.827
   79    HB   THR   9           HB       THR   9   7.955 -12.759   7.452
   80    HG1  THR   9           HG1      THR   9   9.276 -14.093   5.408
   81   1HG2  THR   9          HG21      THR   9   7.304 -15.605   6.639
   82   2HG2  THR   9          HG23      THR   9   7.943 -15.121   8.209
   83   3HG2  THR   9          HG22      THR   9   6.341 -14.583   7.705
   84    H    ALA  10           HN       ALA  10   6.444 -11.104   6.810
   85    HA   ALA  10           HA       ALA  10   3.790 -11.952   7.549
   86   1HB   ALA  10           HB1      ALA  10   5.220  -9.288   7.618
   87   2HB   ALA  10           HB3      ALA  10   3.533  -9.450   8.112
   88   3HB   ALA  10           HB2      ALA  10   4.795 -10.332   8.971
   89    H    PHE  11           HN       PHE  11   5.143 -10.251   4.798
   90    HA   PHE  11           HA       PHE  11   2.758  -9.060   3.782
   91   1HB   PHE  11           HB2      PHE  11   5.135  -8.760   2.894
   92   2HB   PHE  11           HB1      PHE  11   4.960 -10.322   2.116
   93    HD1  PHE  11           HD1      PHE  11   3.080  -7.091   2.466
   94    HD2  PHE  11           HD2      PHE  11   4.160 -10.374  -0.082
   95    HE1  PHE  11           HE1      PHE  11   1.883  -6.025   0.590
   96    HE2  PHE  11           HE2      PHE  11   2.957  -9.304  -1.965
   97    HZ   PHE  11           HZ       PHE  11   1.812  -7.131  -1.630
   98    H    GLN  12           HN       GLN  12   4.156 -12.288   3.275
   99    HA   GLN  12           HA       GLN  12   2.120 -13.212   1.471
  100   1HB   GLN  12           HB2      GLN  12   3.845 -14.774   3.434
  101   2HB   GLN  12           HB1      GLN  12   2.952 -15.469   2.081
  102   1HG   GLN  12           HG2      GLN  12   5.119 -13.359   1.824
  103   2HG   GLN  12           HG1      GLN  12   5.349 -15.085   1.527
  104   1HE2  GLN  12          HE22      GLN  12   3.843 -12.811  -1.402
  105   2HE2  GLN  12          HE21      GLN  12   4.581 -12.182  -0.009
  106    H    GLU  13           HN       GLU  13   2.492 -13.455   4.990
  107    HA   GLU  13           HA       GLU  13   0.112 -14.968   5.486
  108   1HB   GLU  13           HB2      GLU  13   1.873 -13.181   7.150
  109   2HB   GLU  13           HB1      GLU  13   0.391 -13.825   7.834
  110   1HG   GLU  13           HG2      GLU  13   2.331 -15.281   8.335
  111   2HG   GLU  13           HG1      GLU  13   1.139 -16.116   7.342
  112    H    ALA  14           HN       ALA  14   0.697 -11.479   5.313
  113    HA   ALA  14           HA       ALA  14  -1.898 -10.686   6.221
  114   1HB   ALA  14           HB1      ALA  14   0.140  -9.203   5.970
  115   2HB   ALA  14           HB3      ALA  14  -0.146  -9.220   4.231
  116   3HB   ALA  14           HB2      ALA  14  -1.348  -8.518   5.317
  117    H    LEU  15           HN       LEU  15  -0.596 -11.368   2.978
  118    HA   LEU  15           HA       LEU  15  -2.909 -10.660   1.494
  119   1HB   LEU  15           HB2      LEU  15  -0.736 -12.706   1.009
  120   2HB   LEU  15           HB1      LEU  15  -1.989 -12.357  -0.177
  121    HG   LEU  15           HG       LEU  15  -0.312 -10.142   1.008
  122   1HD1  LEU  15          HD11      LEU  15   0.424 -12.100  -1.158
  123   2HD1  LEU  15          HD13      LEU  15   0.986 -10.433  -1.265
  124   3HD1  LEU  15          HD12      LEU  15   1.429 -11.422   0.123
  125   1HD2  LEU  15          HD21      LEU  15  -1.961 -10.489  -1.515
  126   2HD2  LEU  15          HD23      LEU  15  -2.194  -9.313  -0.221
  127   3HD2  LEU  15          HD22      LEU  15  -0.817  -9.165  -1.308
  128    H    ASP  16           HN       ASP  16  -1.962 -13.696   3.067
  129    HA   ASP  16           HA       ASP  16  -4.257 -15.162   2.149
  130   1HB   ASP  16           HB2      ASP  16  -2.082 -16.149   3.037
  131   2HB   ASP  16           HB1      ASP  16  -2.679 -15.762   4.654
  132    H    ALA  17           HN       ALA  17  -3.608 -13.223   5.048
  133    HA   ALA  17           HA       ALA  17  -5.972 -14.037   6.465
  134   1HB   ALA  17           HB1      ALA  17  -4.044 -12.969   7.585
  135   2HB   ALA  17           HB3      ALA  17  -4.398 -11.461   6.742
  136   3HB   ALA  17           HB2      ALA  17  -5.546 -12.106   7.916
  137    H    ALA  18           HN       ALA  18  -5.378 -11.398   4.168
  138    HA   ALA  18           HA       ALA  18  -7.834 -10.002   4.602
  139   1HB   ALA  18           HB3      ALA  18  -5.866  -9.208   3.203
  140   2HB   ALA  18           HB2      ALA  18  -6.441 -10.292   1.934
  141   3HB   ALA  18           HB1      ALA  18  -7.456  -8.959   2.480
  142    H    GLY  19           HN       GLY  19  -7.080 -12.894   2.744
  143   1HA   GLY  19           HA2      GLY  19  -8.531 -14.482   1.798
  144   2HA   GLY  19           HA1      GLY  19  -9.848 -13.690   2.668
  145    H    ASP  20           HN       ASP  20 -11.401 -13.024   1.244
  146    HA   ASP  20           HA       ASP  20 -10.638 -12.372  -1.540
  147   1HB   ASP  20           HB2      ASP  20 -13.368 -12.522  -0.235
  148   2HB   ASP  20           HB1      ASP  20 -13.049 -12.351  -1.961
  149    H    LYS  21           HN       LYS  21 -10.778 -10.618   1.267
  150    HA   LYS  21           HA       LYS  21 -12.226  -8.275   0.336
  151   1HB   LYS  21           HB2      LYS  21 -10.185  -8.625   2.551
  152   2HB   LYS  21           HB1      LYS  21 -11.123  -7.158   2.282
  153   1HG   LYS  21           HG2      LYS  21 -13.194  -8.766   2.423
  154   2HG   LYS  21           HG1      LYS  21 -12.062  -9.863   3.218
  155   1HD   LYS  21           HD2      LYS  21 -11.456  -7.926   4.759
  156   2HD   LYS  21           HD1      LYS  21 -12.844  -7.075   4.088
  157   1HE   LYS  21           HE2      LYS  21 -14.203  -9.176   4.715
  158   2HE   LYS  21           HE1      LYS  21 -12.812  -9.615   5.710
  159   1HZ   LYS  21           HZ1      LYS  21 -14.130  -6.970   5.883
  160   2HZ   LYS  21           HZ3      LYS  21 -14.599  -8.286   6.844
  161   3HZ   LYS  21           HZ2      LYS  21 -13.024  -7.662   6.973
  162    H    LEU  22           HN       LEU  22 -11.280  -6.269  -0.420
  163    HA   LEU  22           HA       LEU  22  -9.062  -6.523  -2.171
  164   1HB   LEU  22           HB2      LEU  22 -10.641  -4.263  -1.038
  165   2HB   LEU  22           HB1      LEU  22  -9.050  -3.826  -1.625
  166    HG   LEU  22           HG       LEU  22 -11.162  -5.280  -3.236
  167   1HD1  LEU  22          HD13      LEU  22 -10.185  -2.402  -3.249
  168   2HD1  LEU  22          HD12      LEU  22 -11.283  -3.090  -4.443
  169   3HD1  LEU  22          HD11      LEU  22 -11.784  -2.957  -2.756
  170   1HD2  LEU  22          HD21      LEU  22  -8.273  -4.603  -3.683
  171   2HD2  LEU  22          HD23      LEU  22  -9.243  -5.900  -4.379
  172   3HD2  LEU  22          HD22      LEU  22  -9.354  -4.276  -5.029
  173    H    VAL  23           HN       VAL  23  -6.938  -5.489  -1.972
  174    HA   VAL  23           HA       VAL  23  -5.944  -5.034   0.775
  175    HB   VAL  23           HB       VAL  23  -4.803  -7.111  -1.115
  176   1HG1  VAL  23          HG12      VAL  23  -3.787  -5.952   1.492
  177   2HG1  VAL  23          HG11      VAL  23  -3.211  -7.488   0.845
  178   3HG1  VAL  23          HG13      VAL  23  -2.955  -5.997  -0.063
  179   1HG2  VAL  23          HG21      VAL  23  -6.202  -7.250   1.553
  180   2HG2  VAL  23          HG23      VAL  23  -6.645  -8.061   0.051
  181   3HG2  VAL  23          HG22      VAL  23  -5.211  -8.574   0.940
  182    H    VAL  24           HN       VAL  24  -5.175  -2.994   0.431
  183    HA   VAL  24           HA       VAL  24  -3.678  -2.441  -2.097
  184    HB   VAL  24           HB       VAL  24  -4.724  -0.503   0.003
  185   1HG1  VAL  24          HG12      VAL  24  -2.736   0.218  -1.414
  186   2HG1  VAL  24          HG11      VAL  24  -3.777   0.037  -2.827
  187   3HG1  VAL  24          HG13      VAL  24  -4.172   1.225  -1.587
  188   1HG2  VAL  24          HG21      VAL  24  -5.895  -1.581  -2.561
  189   2HG2  VAL  24          HG23      VAL  24  -6.673  -1.350  -0.996
  190   3HG2  VAL  24          HG22      VAL  24  -6.311   0.041  -2.014
  191    H    VAL  25           HN       VAL  25  -1.469  -2.025  -1.974
  192    HA   VAL  25           HA       VAL  25  -0.242  -2.064   0.774
  193    HB   VAL  25           HB       VAL  25   0.982  -3.040  -1.818
  194   1HG1  VAL  25          HG12      VAL  25   2.486  -2.288   0.106
  195   2HG1  VAL  25          HG11      VAL  25   1.806  -3.638   1.016
  196   3HG1  VAL  25          HG13      VAL  25   2.716  -3.938  -0.461
  197   1HG2  VAL  25          HG21      VAL  25  -1.029  -4.369  -1.052
  198   2HG2  VAL  25          HG23      VAL  25   0.474  -5.284  -1.088
  199   3HG2  VAL  25          HG22      VAL  25  -0.162  -4.692   0.447
  200    H    ASP  26           HN       ASP  26   0.758  -0.212   1.306
  201    HA   ASP  26           HA       ASP  26   1.489   1.719  -0.858
  202   1HB   ASP  26           HB2      ASP  26   0.086   2.555   1.002
  203   2HB   ASP  26           HB1      ASP  26   1.333   2.089   2.158
  204    H    PHE  27           HN       PHE  27   3.578   1.732  -1.494
  205    HA   PHE  27           HA       PHE  27   5.691   0.625   0.293
  206   1HB   PHE  27           HB2      PHE  27   5.595   1.248  -2.666
  207   2HB   PHE  27           HB1      PHE  27   7.089   0.810  -1.830
  208    HD1  PHE  27           HD1      PHE  27   7.273  -1.392  -0.679
  209    HD2  PHE  27           HD2      PHE  27   3.934  -0.407  -3.199
  210    HE1  PHE  27           HE1      PHE  27   6.694  -3.797  -0.850
  211    HE2  PHE  27           HE2      PHE  27   3.357  -2.810  -3.357
  212    HZ   PHE  27           HZ       PHE  27   4.735  -4.506  -2.193
  213    H    SER  28           HN       SER  28   4.446   3.385   0.551
  214    HA   SER  28           HA       SER  28   6.275   5.345  -0.369
  215   1HB   SER  28           HB2      SER  28   4.639   5.381   2.180
  216   2HB   SER  28           HB1      SER  28   5.388   6.779   1.425
  217    HG   SER  28           HG       SER  28   3.024   5.965   0.953
  218    H    ALA  29           HN       ALA  29   8.040   6.342   0.595
  219    HA   ALA  29           HA       ALA  29   9.593   4.629   2.423
  220   1HB   ALA  29           HB1      ALA  29  10.135   7.104   0.786
  221   2HB   ALA  29           HB3      ALA  29  11.229   6.689   2.105
  222   3HB   ALA  29           HB2      ALA  29  10.985   5.562   0.767
  223    H    THR  30           HN       THR  30   9.499   4.953   4.615
  224    HA   THR  30           HA       THR  30   7.897   7.086   5.703
  225    HB   THR  30           HB       THR  30   8.162   4.968   6.905
  226    HG1  THR  30           HG1      THR  30   9.354   7.165   8.239
  227   1HG2  THR  30          HG23      THR  30  11.070   5.781   7.163
  228   2HG2  THR  30          HG22      THR  30  10.322   4.399   7.964
  229   3HG2  THR  30          HG21      THR  30  10.449   4.437   6.205
  230    H    TRP  31           HN       TRP  31  11.358   6.651   5.126
  231    HA   TRP  31           HA       TRP  31  12.193   8.982   6.634
  232   1HB   TRP  31           HB2      TRP  31  14.313   8.748   5.447
  233   2HB   TRP  31           HB1      TRP  31  13.745   7.161   5.966
  234    HD1  TRP  31           HD1      TRP  31  13.254   5.411   4.179
  235    HE1  TRP  31           HE1      TRP  31  13.454   5.327   1.609
  236    HE3  TRP  31           HE3      TRP  31  13.981  10.362   3.194
  237    HZ2  TRP  31           HZ2      TRP  31  13.830   7.131  -0.573
  238    HZ3  TRP  31           HZ3      TRP  31  14.235  11.154   0.861
  239    HH2  TRP  31           HH2      TRP  31  14.162   9.545  -1.022
  240    H    CYS  32           HN       CYS  32  10.766   8.567   3.482
  241    HA   CYS  32           HA       CYS  32  11.692  11.202   2.538
  242   1HB   CYS  32           HB2      CYS  32  11.253   9.160   1.034
  243   2HB   CYS  32           HB1      CYS  32   9.539   9.474   1.283
  244    H    GLY  33           HN       GLY  33  10.806  12.939   3.449
  245   1HA   GLY  33           HA2      GLY  33   8.448  13.008   4.997
  246   2HA   GLY  33           HA1      GLY  33   9.226  14.426   4.305
  247    HA   PRO  34           HA       PRO  34   6.208  15.049   1.133
  248   1HB   PRO  34           HB2      PRO  34   7.591  13.452  -0.976
  249   2HB   PRO  34           HB1      PRO  34   7.080  15.149  -1.004
  250   1HG   PRO  34           HG2      PRO  34   9.693  14.386  -0.744
  251   2HG   PRO  34           HG1      PRO  34   9.057  15.899  -0.074
  252   1HD   PRO  34           HD2      PRO  34   9.888  13.431   1.347
  253   2HD   PRO  34           HD1      PRO  34   9.727  15.087   1.983
  254    H    ALA  35           HN       ALA  35   7.459  11.734   1.130
  255    HA   ALA  35           HA       ALA  35   4.988  10.571   0.121
  256   1HB   ALA  35           HB2      ALA  35   7.497   9.678   0.096
  257   2HB   ALA  35           HB1      ALA  35   7.021   8.949   1.628
  258   3HB   ALA  35           HB3      ALA  35   6.143   8.554   0.148
  259    H    LYS  36           HN       LYS  36   6.583  10.670   3.323
  260    HA   LYS  36           HA       LYS  36   4.551   9.290   4.761
  261   1HB   LYS  36           HB2      LYS  36   6.852   9.863   5.621
  262   2HB   LYS  36           HB1      LYS  36   6.296  11.525   5.828
  263   1HG   LYS  36           HG2      LYS  36   4.449  10.676   7.289
  264   2HG   LYS  36           HG1      LYS  36   5.139   9.059   7.160
  265   1HD   LYS  36           HD2      LYS  36   7.225   9.835   8.185
  266   2HD   LYS  36           HD1      LYS  36   6.598  11.483   8.255
  267   1HE   LYS  36           HE2      LYS  36   4.802  10.771   9.757
  268   2HE   LYS  36           HE1      LYS  36   5.333   9.095   9.636
  269   1HZ   LYS  36           HZ1      LYS  36   7.398  10.955  10.424
  270   2HZ   LYS  36           HZ3      LYS  36   6.126  10.816  11.538
  271   3HZ   LYS  36           HZ2      LYS  36   6.998   9.435  11.068
  272    H    MET  37           HN       MET  37   4.819  12.646   3.739
  273    HA   MET  37           HA       MET  37   2.793  13.767   5.390
  274   1HB   MET  37           HB2      MET  37   4.385  15.038   3.873
  275   2HB   MET  37           HB1      MET  37   3.370  14.558   2.517
  276   1HG   MET  37           HG2      MET  37   1.407  15.598   3.763
  277   2HG   MET  37           HG1      MET  37   2.585  16.270   4.890
  278   1HE   MET  37           HE1      MET  37   1.434  18.409   4.391
  279   2HE   MET  37           HE3      MET  37   1.713  19.439   2.981
  280   3HE   MET  37           HE2      MET  37   0.519  18.145   2.909
  281    H    ILE  38           HN       ILE  38   2.629  11.753   2.548
  282    HA   ILE  38           HA       ILE  38  -0.210  12.233   2.044
  283    HB   ILE  38           HB       ILE  38   1.446   9.942   0.942
  284   1HG1  ILE  38          HG12      ILE  38   1.162  12.704  -0.284
  285   2HG1  ILE  38          HG11      ILE  38   2.565  12.215   0.660
  286   1HG2  ILE  38          HG23      ILE  38  -1.039  11.429   0.041
  287   2HG2  ILE  38          HG22      ILE  38  -0.113  10.383  -1.030
  288   3HG2  ILE  38          HG21      ILE  38  -0.873   9.713   0.407
  289   1HD1  ILE  38          HD13      ILE  38   2.830  10.254  -0.888
  290   2HD1  ILE  38          HD12      ILE  38   1.579  10.968  -1.906
  291   3HD1  ILE  38          HD11      ILE  38   3.101  11.824  -1.640
  292    H    LYS  39           HN       LYS  39   1.396  10.301   4.355
  293    HA   LYS  39           HA       LYS  39  -0.155   7.950   4.169
  294   1HB   LYS  39           HB2      LYS  39   0.605   7.301   6.285
  295   2HB   LYS  39           HB1      LYS  39   1.902   8.278   5.616
  296   1HG   LYS  39           HG2      LYS  39   1.463  10.082   7.071
  297   2HG   LYS  39           HG1      LYS  39  -0.170   9.537   7.445
  298   1HD   LYS  39           HD2      LYS  39   2.322   8.004   8.202
  299   2HD   LYS  39           HD1      LYS  39   1.536   9.168   9.266
  300   1HE   LYS  39           HE2      LYS  39   0.137   7.518   9.960
  301   2HE   LYS  39           HE1      LYS  39  -0.519   7.409   8.328
  302   1HZ   LYS  39           HZ3      LYS  39   1.997   6.160   8.403
  303   2HZ   LYS  39           HZ2      LYS  39   1.047   5.547   9.671
  304   3HZ   LYS  39           HZ1      LYS  39   0.481   5.474   8.072
  305    HA   PRO  40           HA       PRO  40  -3.298  10.007   7.299
  306   1HB   PRO  40           HB2      PRO  40  -3.740  12.509   5.736
  307   2HB   PRO  40           HB1      PRO  40  -3.679  12.275   7.494
  308   1HG   PRO  40           HG2      PRO  40  -1.673  13.488   6.201
  309   2HG   PRO  40           HG1      PRO  40  -1.353  12.399   7.560
  310   1HD   PRO  40           HD2      PRO  40  -1.050  11.888   4.631
  311   2HD   PRO  40           HD1      PRO  40  -0.008  11.338   5.959
  312    H    PHE  41           HN       PHE  41  -3.366  10.716   3.785
  313    HA   PHE  41           HA       PHE  41  -6.205  10.219   3.545
  314   1HB   PHE  41           HB2      PHE  41  -3.949  10.111   1.519
  315   2HB   PHE  41           HB1      PHE  41  -5.647   9.921   1.109
  316    HD1  PHE  41           HD2      PHE  41  -3.242  12.275   2.727
  317    HD2  PHE  41           HD1      PHE  41  -7.032  11.778   0.767
  318    HE1  PHE  41           HE2      PHE  41  -3.521  14.741   2.646
  319    HE2  PHE  41           HE1      PHE  41  -7.314  14.242   0.690
  320    HZ   PHE  41           HZ       PHE  41  -5.559  15.724   1.627
  321    H    PHE  42           HN       PHE  42  -3.333   8.251   2.789
  322    HA   PHE  42           HA       PHE  42  -4.715   5.868   2.074
  323   1HB   PHE  42           HB2      PHE  42  -2.322   6.281   1.630
  324   2HB   PHE  42           HB1      PHE  42  -1.989   6.236   3.365
  325    HD1  PHE  42           HD1      PHE  42  -3.268   4.216   0.512
  326    HD2  PHE  42           HD2      PHE  42  -1.697   4.170   4.511
  327    HE1  PHE  42           HE1      PHE  42  -3.084   1.747   0.412
  328    HE2  PHE  42           HE2      PHE  42  -1.513   1.698   4.410
  329    HZ   PHE  42           HZ       PHE  42  -2.209   0.486   2.360
  330    H    HIS  43           HN       HIS  43  -3.298   6.855   5.181
  331    HA   HIS  43           HA       HIS  43  -4.231   4.583   6.670
  332   1HB   HIS  43           HB2      HIS  43  -2.333   5.948   7.385
  333   2HB   HIS  43           HB1      HIS  43  -3.381   7.353   7.580
  334    HD1  HIS  43           HD1      HIS  43  -2.337   4.190   9.228
  335    HD2  HIS  43           HD2      HIS  43  -5.177   7.173   9.809
  336    HE1  HIS  43           HE1      HIS  43  -3.322   3.798  11.531
  337    H    SER  44           HN       SER  44  -5.554   7.893   6.318
  338    HA   SER  44           HA       SER  44  -7.713   7.559   8.152
  339   1HB   SER  44           HB2      SER  44  -7.566   9.324   5.699
  340   2HB   SER  44           HB1      SER  44  -8.781   9.448   6.962
  341    HG   SER  44           HG       SER  44  -6.415   9.370   8.136
  342    H    LEU  45           HN       LEU  45  -7.432   6.816   4.710
  343    HA   LEU  45           HA       LEU  45 -10.178   6.292   4.209
  344   1HB   LEU  45           HB2      LEU  45  -7.660   5.230   2.950
  345   2HB   LEU  45           HB1      LEU  45  -9.247   4.770   2.362
  346    HG   LEU  45           HG       LEU  45  -8.514   7.686   2.701
  347   1HD1  LEU  45          HD12      LEU  45  -7.976   5.923   0.290
  348   2HD1  LEU  45          HD11      LEU  45  -7.898   7.684   0.276
  349   3HD1  LEU  45          HD13      LEU  45  -6.768   6.759   1.264
  350   1HD2  LEU  45          HD22      LEU  45 -10.585   6.123   1.142
  351   2HD2  LEU  45          HD21      LEU  45 -10.829   7.429   2.299
  352   3HD2  LEU  45          HD23      LEU  45 -10.169   7.779   0.707
  353    H    SER  46           HN       SER  46  -7.757   4.389   5.844
  354    HA   SER  46           HA       SER  46  -8.774   1.792   5.569
  355   1HB   SER  46           HB2      SER  46  -7.736   3.063   8.124
  356   2HB   SER  46           HB1      SER  46  -7.843   1.336   7.801
  357    HG   SER  46           HG       SER  46  -6.166   1.456   6.503
  358    H    GLU  47           HN       GLU  47  -9.905   4.436   7.624
  359    HA   GLU  47           HA       GLU  47 -12.035   2.756   8.778
  360   1HB   GLU  47           HB2      GLU  47 -11.311   5.693   9.059
  361   2HB   GLU  47           HB1      GLU  47 -12.689   4.952   9.869
  362   1HG   GLU  47           HG2      GLU  47 -10.929   4.877  11.464
  363   2HG   GLU  47           HG1      GLU  47 -11.020   3.242  10.813
  364    H    LYS  48           HN       LYS  48 -11.585   4.777   6.002
  365    HA   LYS  48           HA       LYS  48 -14.414   5.491   5.736
  366   1HB   LYS  48           HB2      LYS  48 -12.578   6.861   4.687
  367   2HB   LYS  48           HB1      LYS  48 -12.272   5.515   3.586
  368   1HG   LYS  48           HG2      LYS  48 -14.676   5.627   2.873
  369   2HG   LYS  48           HG1      LYS  48 -14.852   7.078   3.857
  370   1HD   LYS  48           HD2      LYS  48 -13.036   8.152   2.542
  371   2HD   LYS  48           HD1      LYS  48 -12.966   6.716   1.519
  372   1HE   LYS  48           HE2      LYS  48 -15.356   7.029   0.940
  373   2HE   LYS  48           HE1      LYS  48 -15.384   8.495   1.921
  374   1HZ   LYS  48           HZ3      LYS  48 -13.202   8.542   0.119
  375   2HZ   LYS  48           HZ2      LYS  48 -14.651   8.273  -0.727
  376   3HZ   LYS  48           HZ1      LYS  48 -14.487   9.638   0.271
  377    H    TYR  49           HN       TYR  49 -12.184   3.047   4.550
  378    HA   TYR  49           HA       TYR  49 -14.536   1.468   3.517
  379   1HB   TYR  49           HB2      TYR  49 -11.678   1.529   2.457
  380   2HB   TYR  49           HB1      TYR  49 -12.912   0.383   1.940
  381    HD1  TYR  49           HD2      TYR  49 -15.130   1.356   1.017
  382    HD2  TYR  49           HD1      TYR  49 -11.509   3.635   1.400
  383    HE1  TYR  49           HE2      TYR  49 -16.000   3.011  -0.610
  384    HE2  TYR  49           HE1      TYR  49 -12.380   5.289  -0.226
  385    HH   TYR  49           HH       TYR  49 -15.349   4.730  -2.010
  386    H    SER  50           HN       SER  50 -14.378   1.024   5.956
  387    HA   SER  50           HA       SER  50 -12.233  -0.508   7.043
  388   1HB   SER  50           HB2      SER  50 -13.741  -0.980   8.851
  389   2HB   SER  50           HB1      SER  50 -14.110   0.647   8.307
  390    HG   SER  50           HG       SER  50 -15.703  -1.495   8.383
  391    H    ASN  51           HN       ASN  51 -14.484  -1.256   4.648
  392    HA   ASN  51           HA       ASN  51 -14.519  -4.167   5.201
  393   1HB   ASN  51           HB2      ASN  51 -16.526  -2.878   4.274
  394   2HB   ASN  51           HB1      ASN  51 -15.615  -2.730   2.772
  395   1HD2  ASN  51          HD22      ASN  51 -16.442  -5.975   1.714
  396   2HD2  ASN  51          HD21      ASN  51 -15.859  -4.432   1.316
  397    H    VAL  52           HN       VAL  52 -12.262  -2.182   4.164
  398    HA   VAL  52           HA       VAL  52 -11.152  -4.102   2.161
  399    HB   VAL  52           HB       VAL  52 -10.930  -1.070   2.169
  400   1HG1  VAL  52          HG11      VAL  52  -9.442  -3.217   0.657
  401   2HG1  VAL  52          HG13      VAL  52  -9.652  -1.607  -0.034
  402   3HG1  VAL  52          HG12      VAL  52  -8.795  -1.808   1.494
  403   1HG2  VAL  52          HG21      VAL  52 -12.175  -3.061   0.247
  404   2HG2  VAL  52          HG23      VAL  52 -13.016  -1.828   1.183
  405   3HG2  VAL  52          HG22      VAL  52 -11.934  -1.354  -0.126
  406    H    ILE  53           HN       ILE  53  -8.903  -4.540   2.475
  407    HA   ILE  53           HA       ILE  53  -7.883  -3.688   5.159
  408    HB   ILE  53           HB       ILE  53  -6.750  -5.814   3.322
  409   1HG1  ILE  53          HG12      ILE  53  -9.046  -6.463   3.778
  410   2HG1  ILE  53          HG11      ILE  53  -7.991  -7.426   4.807
  411   1HG2  ILE  53          HG22      ILE  53  -5.390  -4.840   5.246
  412   2HG2  ILE  53          HG21      ILE  53  -6.584  -5.541   6.331
  413   3HG2  ILE  53          HG23      ILE  53  -5.624  -6.585   5.286
  414   1HD1  ILE  53          HD11      ILE  53  -8.390  -5.640   6.615
  415   2HD1  ILE  53          HD13      ILE  53  -9.707  -5.066   5.591
  416   3HD1  ILE  53          HD12      ILE  53  -9.744  -6.706   6.236
  417    H    PHE  54           HN       PHE  54  -6.398  -2.045   5.188
  418    HA   PHE  54           HA       PHE  54  -4.812  -1.478   2.703
  419   1HB   PHE  54           HB2      PHE  54  -5.327   0.189   5.186
  420   2HB   PHE  54           HB1      PHE  54  -4.298   0.691   3.849
  421    HD1  PHE  54           HD1      PHE  54  -7.774  -0.419   4.650
  422    HD2  PHE  54           HD2      PHE  54  -5.240   1.780   1.971
  423    HE1  PHE  54           HE1      PHE  54  -9.775   0.481   3.492
  424    HE2  PHE  54           HE2      PHE  54  -7.241   2.668   0.803
  425    HZ   PHE  54           HZ       PHE  54  -9.506   2.019   1.567
  426    H    LEU  55           HN       LEU  55  -2.643  -2.004   2.701
  427    HA   LEU  55           HA       LEU  55  -1.303  -2.598   5.323
  428   1HB   LEU  55           HB2      LEU  55  -0.771  -3.664   2.542
  429   2HB   LEU  55           HB1      LEU  55   0.427  -3.798   3.830
  430    HG   LEU  55           HG       LEU  55  -1.015  -5.184   5.144
  431   1HD1  LEU  55          HD12      LEU  55  -3.166  -4.316   3.221
  432   2HD1  LEU  55          HD11      LEU  55  -3.332  -5.798   4.160
  433   3HD1  LEU  55          HD13      LEU  55  -3.156  -4.254   4.988
  434   1HD2  LEU  55          HD23      LEU  55  -1.116  -5.938   2.211
  435   2HD2  LEU  55          HD22      LEU  55   0.093  -6.417   3.403
  436   3HD2  LEU  55          HD21      LEU  55  -1.553  -7.040   3.516
  437    H    GLU  56           HN       GLU  56   0.600  -1.574   5.812
  438    HA   GLU  56           HA       GLU  56   1.516   0.574   3.928
  439   1HB   GLU  56           HB2      GLU  56   0.663   1.319   6.184
  440   2HB   GLU  56           HB1      GLU  56   1.962   0.384   6.926
  441   1HG   GLU  56           HG2      GLU  56   3.608   1.710   5.562
  442   2HG   GLU  56           HG1      GLU  56   2.267   2.724   5.022
  443    H    VAL  57           HN       VAL  57   3.617   0.367   3.164
  444    HA   VAL  57           HA       VAL  57   5.371  -1.678   4.502
  445    HB   VAL  57           HB       VAL  57   5.085  -1.255   1.516
  446   1HG1  VAL  57          HG12      VAL  57   6.589  -3.282   3.186
  447   2HG1  VAL  57          HG11      VAL  57   6.399  -3.363   1.436
  448   3HG1  VAL  57          HG13      VAL  57   7.305  -2.035   2.161
  449   1HG2  VAL  57          HG22      VAL  57   4.023  -3.398   3.370
  450   2HG2  VAL  57          HG21      VAL  57   3.076  -2.290   2.376
  451   3HG2  VAL  57          HG23      VAL  57   4.059  -3.542   1.613
  452    H    ASP  58           HN       ASP  58   7.389  -0.992   4.915
  453    HA   ASP  58           HA       ASP  58   8.272   1.689   3.964
  454   1HB   ASP  58           HB2      ASP  58   8.376   0.989   6.413
  455   2HB   ASP  58           HB1      ASP  58   9.619  -0.176   5.928
  456    H    VAL  59           HN       VAL  59   9.563   1.696   2.156
  457    HA   VAL  59           HA       VAL  59  10.656  -0.758   1.079
  458    HB   VAL  59           HB       VAL  59  11.845   0.751  -0.477
  459   1HG1  VAL  59          HG13      VAL  59   8.954   1.373   0.162
  460   2HG1  VAL  59          HG12      VAL  59   9.754   1.977  -1.288
  461   3HG1  VAL  59          HG11      VAL  59   9.567   0.241  -1.040
  462   1HG2  VAL  59          HG22      VAL  59  10.768   2.918   1.342
  463   2HG2  VAL  59          HG21      VAL  59  12.465   2.540   1.041
  464   3HG2  VAL  59          HG23      VAL  59  11.469   3.212  -0.250
  465    H    ASP  60           HN       ASP  60  11.700   1.521   3.451
  466    HA   ASP  60           HA       ASP  60  14.537   0.701   3.239
  467   1HB   ASP  60           HB2      ASP  60  12.997   2.765   4.787
  468   2HB   ASP  60           HB1      ASP  60  14.636   2.350   5.258
  469    H    ASP  61           HN       ASP  61  11.856   0.338   5.624
  470    HA   ASP  61           HA       ASP  61  13.653  -1.435   7.235
  471   1HB   ASP  61           HB2      ASP  61  10.828  -0.469   7.812
  472   2HB   ASP  61           HB1      ASP  61  11.817  -1.455   8.888
  473    H    ALA  62           HN       ALA  62  11.280  -1.523   4.826
  474    HA   ALA  62           HA       ALA  62  10.909  -4.468   5.207
  475   1HB   ALA  62           HB2      ALA  62   8.874  -2.659   5.402
  476   2HB   ALA  62           HB1      ALA  62   8.837  -2.966   3.668
  477   3HB   ALA  62           HB3      ALA  62   8.643  -4.301   4.806
  478    H    GLN  63           HN       GLN  63  13.030  -3.207   3.828
  479    HA   GLN  63           HA       GLN  63  12.615  -2.831   1.046
  480   1HB   GLN  63           HB2      GLN  63  15.017  -3.132   0.816
  481   2HB   GLN  63           HB1      GLN  63  14.717  -2.263   2.322
  482   1HG   GLN  63           HG2      GLN  63  14.759  -4.534   3.484
  483   2HG   GLN  63           HG1      GLN  63  15.386  -5.191   1.973
  484   1HE2  GLN  63          HE22      GLN  63  18.653  -4.307   2.931
  485   2HE2  GLN  63          HE21      GLN  63  17.613  -5.465   2.255
  486    H    ASP  64           HN       ASP  64  12.833  -5.777   2.946
  487    HA   ASP  64           HA       ASP  64  13.422  -7.555   0.788
  488   1HB   ASP  64           HB2      ASP  64  12.315  -9.291   2.266
  489   2HB   ASP  64           HB1      ASP  64  13.623  -8.393   3.029
  490    H    VAL  65           HN       VAL  65  10.374  -6.170   1.987
  491    HA   VAL  65           HA       VAL  65   8.710  -7.816   0.275
  492    HB   VAL  65           HB       VAL  65   7.926  -5.075   1.292
  493   1HG1  VAL  65          HG11      VAL  65   6.382  -6.330  -0.196
  494   2HG1  VAL  65          HG13      VAL  65   6.400  -7.677   0.945
  495   3HG1  VAL  65          HG12      VAL  65   5.709  -6.125   1.423
  496   1HG2  VAL  65          HG21      VAL  65   8.238  -7.637   2.852
  497   2HG2  VAL  65          HG23      VAL  65   8.863  -6.041   3.245
  498   3HG2  VAL  65          HG22      VAL  65   7.133  -6.366   3.365
  499    H    ALA  66           HN       ALA  66  10.018  -4.503   0.045
  500    HA   ALA  66           HA       ALA  66   8.746  -3.964  -2.487
  501   1HB   ALA  66           HB2      ALA  66   9.687  -2.293  -0.723
  502   2HB   ALA  66           HB1      ALA  66  11.220  -2.525  -1.563
  503   3HB   ALA  66           HB3      ALA  66   9.819  -1.899  -2.435
  504    H    SER  67           HN       SER  67  11.957  -5.149  -1.554
  505    HA   SER  67           HA       SER  67  13.144  -4.978  -4.145
  506   1HB   SER  67           HB2      SER  67  14.706  -6.701  -3.335
  507   2HB   SER  67           HB1      SER  67  14.437  -5.483  -2.093
  508    HG   SER  67           HG       SER  67  14.083  -8.069  -1.891
  509    H    GLU  68           HN       GLU  68  11.010  -7.330  -2.651
  510    HA   GLU  68           HA       GLU  68  11.241  -9.396  -4.593
  511   1HB   GLU  68           HB2      GLU  68  10.047  -9.558  -2.373
  512   2HB   GLU  68           HB1      GLU  68   8.735  -8.612  -3.078
  513   1HG   GLU  68           HG2      GLU  68   8.633 -10.365  -4.927
  514   2HG   GLU  68           HG1      GLU  68   9.710 -11.342  -3.931
  515    H    ALA  69           HN       ALA  69   9.217  -6.479  -4.463
  516    HA   ALA  69           HA       ALA  69   7.990  -7.141  -7.061
  517   1HB   ALA  69           HB2      ALA  69   6.709  -6.096  -5.134
  518   2HB   ALA  69           HB1      ALA  69   7.610  -4.614  -5.451
  519   3HB   ALA  69           HB3      ALA  69   6.543  -5.279  -6.689
  520    H    GLU  70           HN       GLU  70  10.929  -5.923  -6.299
  521    HA   GLU  70           HA       GLU  70  12.434  -4.518  -7.441
  522   1HB   GLU  70           HB2      GLU  70  10.561  -5.345  -9.672
  523   2HB   GLU  70           HB1      GLU  70  12.042  -4.435  -9.947
  524   1HG   GLU  70           HG2      GLU  70  12.593  -6.732 -10.277
  525   2HG   GLU  70           HG1      GLU  70  13.265  -6.288  -8.711
  526    H    VAL  71           HN       VAL  71  10.663  -2.967  -6.014
  527    HA   VAL  71           HA       VAL  71   9.173  -1.114  -7.633
  528    HB   VAL  71           HB       VAL  71  10.439  -0.562  -4.925
  529   1HG1  VAL  71          HG11      VAL  71   8.095   0.612  -6.456
  530   2HG1  VAL  71          HG13      VAL  71   8.383   0.921  -4.746
  531   3HG1  VAL  71          HG12      VAL  71   9.566   1.442  -5.951
  532   1HG2  VAL  71          HG22      VAL  71   7.879  -1.991  -5.714
  533   2HG2  VAL  71          HG21      VAL  71   9.169  -2.578  -4.665
  534   3HG2  VAL  71          HG23      VAL  71   8.105  -1.284  -4.115
  535    H    LYS  72           HN       LYS  72   9.866   0.611  -8.781
  536    HA   LYS  72           HA       LYS  72  12.764   1.270  -8.695
  537   1HB   LYS  72           HB2      LYS  72  10.670   1.832 -10.805
  538   2HB   LYS  72           HB1      LYS  72  12.372   2.261 -10.929
  539   1HG   LYS  72           HG2      LYS  72  11.443  -0.597 -10.484
  540   2HG   LYS  72           HG1      LYS  72  11.684   0.082 -12.091
  541   1HD   LYS  72           HD2      LYS  72  14.057   0.701 -11.299
  542   2HD   LYS  72           HD1      LYS  72  13.752  -0.371  -9.932
  543   1HE   LYS  72           HE2      LYS  72  13.618  -1.141 -12.857
  544   2HE   LYS  72           HE1      LYS  72  14.871  -1.617 -11.710
  545   1HZ   LYS  72           HZ3      LYS  72  12.807  -2.459 -10.371
  546   2HZ   LYS  72           HZ2      LYS  72  12.087  -2.510 -11.910
  547   3HZ   LYS  72           HZ1      LYS  72  13.493  -3.412 -11.596
  548    H    ALA  73           HN       ALA  73   9.752   2.468  -7.645
  549    HA   ALA  73           HA       ALA  73  11.019   4.977  -6.857
  550   1HB   ALA  73           HB3      ALA  73  10.283   5.269  -9.287
  551   2HB   ALA  73           HB2      ALA  73   8.632   5.243  -8.664
  552   3HB   ALA  73           HB1      ALA  73   9.759   6.493  -8.133
  553    H    THR  74           HN       THR  74   9.726   6.247  -5.409
  554    HA   THR  74           HA       THR  74   7.260   4.906  -4.357
  555    HB   THR  74           HB       THR  74   7.962   5.461  -2.090
  556    HG1  THR  74           HG1      THR  74  10.402   6.466  -2.787
  557   1HG2  THR  74          HG22      THR  74  10.304   4.371  -3.640
  558   2HG2  THR  74          HG21      THR  74  10.103   4.255  -1.895
  559   3HG2  THR  74          HG23      THR  74   8.976   3.427  -2.970
  560    HA   PRO  75           HA       PRO  75   5.847   5.603  -2.640
  561   1HB   PRO  75           HB2      PRO  75   3.253   6.565  -2.676
  562   2HB   PRO  75           HB1      PRO  75   4.495   7.092  -1.533
  563   1HG   PRO  75           HG2      PRO  75   3.368   8.536  -3.857
  564   2HG   PRO  75           HG1      PRO  75   4.163   9.176  -2.413
  565   1HD   PRO  75           HD2      PRO  75   5.316   8.891  -5.012
  566   2HD   PRO  75           HD1      PRO  75   6.169   9.355  -3.513
  567    H    THR  76           HN       THR  76   4.962   3.680  -3.329
  568    HA   THR  76           HA       THR  76   3.516   3.682  -5.958
  569    HB   THR  76           HB       THR  76   5.434   1.564  -4.966
  570    HG1  THR  76           HG1      THR  76   6.209   2.452  -7.237
  571   1HG2  THR  76          HG22      THR  76   3.626   1.790  -7.369
  572   2HG2  THR  76          HG21      THR  76   5.044   0.743  -7.371
  573   3HG2  THR  76          HG23      THR  76   3.745   0.464  -6.212
  574    H    PHE  77           HN       PHE  77   1.607   2.710  -5.923
  575    HA   PHE  77           HA       PHE  77   0.792   1.248  -3.439
  576   1HB   PHE  77           HB2      PHE  77  -0.908   2.673  -5.513
  577   2HB   PHE  77           HB1      PHE  77  -1.509   1.884  -4.053
  578    HD1  PHE  77           HD1      PHE  77  -0.993   2.823  -1.805
  579    HD2  PHE  77           HD2      PHE  77   0.223   4.791  -5.426
  580    HE1  PHE  77           HE1      PHE  77  -0.560   4.908  -0.527
  581    HE2  PHE  77           HE2      PHE  77   0.653   6.875  -4.151
  582    HZ   PHE  77           HZ       PHE  77   0.260   6.935  -1.701
  583    H    GLN  78           HN       GLN  78   0.236  -0.878  -3.658
  584    HA   GLN  78           HA       GLN  78  -0.228  -1.943  -6.441
  585   1HB   GLN  78           HB2      GLN  78   1.205  -3.231  -4.102
  586   2HB   GLN  78           HB1      GLN  78   0.710  -4.109  -5.545
  587   1HG   GLN  78           HG2      GLN  78   2.030  -2.502  -6.919
  588   2HG   GLN  78           HG1      GLN  78   2.605  -1.745  -5.437
  589   1HE2  GLN  78          HE22      GLN  78   5.335  -4.010  -5.741
  590   2HE2  GLN  78          HE21      GLN  78   4.838  -2.395  -5.906
  591    H    PHE  79           HN       PHE  79  -1.957  -3.240  -6.690
  592    HA   PHE  79           HA       PHE  79  -3.755  -3.557  -4.307
  593   1HB   PHE  79           HB2      PHE  79  -4.325  -3.474  -7.281
  594   2HB   PHE  79           HB1      PHE  79  -5.539  -3.828  -6.045
  595    HD1  PHE  79           HD2      PHE  79  -3.050  -1.307  -7.160
  596    HD2  PHE  79           HD1      PHE  79  -6.535  -2.073  -4.772
  597    HE1  PHE  79           HE2      PHE  79  -3.280   1.118  -6.727
  598    HE2  PHE  79           HE1      PHE  79  -6.767   0.357  -4.332
  599    HZ   PHE  79           HZ       PHE  79  -5.144   1.951  -5.308
  600    H    PHE  80           HN       PHE  80  -4.197  -5.539  -3.606
  601    HA   PHE  80           HA       PHE  80  -3.566  -7.874  -5.353
  602   1HB   PHE  80           HB2      PHE  80  -2.976  -7.444  -2.431
  603   2HB   PHE  80           HB1      PHE  80  -3.006  -9.050  -3.147
  604    HD1  PHE  80           HD1      PHE  80  -1.360  -9.683  -4.873
  605    HD2  PHE  80           HD2      PHE  80  -1.178  -5.861  -2.896
  606    HE1  PHE  80           HE1      PHE  80   0.982  -9.396  -5.634
  607    HE2  PHE  80           HE2      PHE  80   1.162  -5.584  -3.664
  608    HZ   PHE  80           HZ       PHE  80   2.242  -7.349  -5.029
  609    H    LYS  81           HN       LYS  81  -4.998  -9.658  -5.152
  610    HA   LYS  81           HA       LYS  81  -7.310  -9.376  -3.312
  611   1HB   LYS  81           HB2      LYS  81  -7.737  -8.246  -5.640
  612   2HB   LYS  81           HB1      LYS  81  -7.816  -9.899  -6.249
  613   1HG   LYS  81           HG2      LYS  81  -9.551 -10.372  -4.463
  614   2HG   LYS  81           HG1      LYS  81  -9.560  -8.652  -4.104
  615   1HD   LYS  81           HD2      LYS  81 -10.007  -9.605  -6.933
  616   2HD   LYS  81           HD1      LYS  81 -11.335  -9.600  -5.779
  617   1HE   LYS  81           HE2      LYS  81 -10.990  -7.201  -5.361
  618   2HE   LYS  81           HE1      LYS  81  -9.634  -7.189  -6.487
  619   1HZ   LYS  81           HZ3      LYS  81 -11.701  -8.340  -7.874
  620   2HZ   LYS  81           HZ2      LYS  81 -12.422  -7.054  -7.032
  621   3HZ   LYS  81           HZ1      LYS  81 -11.108  -6.762  -8.068
  622    H    LYS  82           HN       LYS  82  -7.689 -11.403  -2.480
  623    HA   LYS  82           HA       LYS  82  -7.495 -13.731  -2.209
  624   1HB   LYS  82           HB2      LYS  82  -7.621 -13.694  -5.246
  625   2HB   LYS  82           HB1      LYS  82  -7.847 -15.111  -4.227
  626   1HG   LYS  82           HG2      LYS  82  -9.734 -13.839  -3.094
  627   2HG   LYS  82           HG1      LYS  82  -9.598 -12.655  -4.394
  628   1HD   LYS  82           HD2      LYS  82  -9.975 -14.426  -6.061
  629   2HD   LYS  82           HD1      LYS  82 -10.097 -15.617  -4.768
  630   1HE   LYS  82           HE2      LYS  82 -11.898 -13.215  -4.663
  631   2HE   LYS  82           HE1      LYS  82 -12.285 -14.519  -5.786
  632   1HZ   LYS  82           HZ2      LYS  82 -11.544 -15.348  -3.110
  633   2HZ   LYS  82           HZ1      LYS  82 -13.021 -14.516  -3.236
  634   3HZ   LYS  82           HZ3      LYS  82 -12.768 -15.932  -4.133
  635    H    GLY  83           HN       GLY  83  -5.089 -12.101  -2.403
  636   1HA   GLY  83           HA2      GLY  83  -2.792 -12.529  -2.339
  637   2HA   GLY  83           HA1      GLY  83  -3.153 -14.224  -2.658
  638    H    GLN  84           HN       GLN  84  -4.386 -11.767  -4.811
  639    HA   GLN  84           HA       GLN  84  -2.268 -12.441  -6.804
  640   1HB   GLN  84           HB2      GLN  84  -5.265 -12.346  -7.226
  641   2HB   GLN  84           HB1      GLN  84  -4.112 -12.329  -8.555
  642   1HG   GLN  84           HG2      GLN  84  -4.137 -14.492  -6.435
  643   2HG   GLN  84           HG1      GLN  84  -5.041 -14.619  -7.944
  644   1HE2  GLN  84          HE22      GLN  84  -1.306 -13.992  -9.175
  645   2HE2  GLN  84          HE21      GLN  84  -2.356 -12.772  -8.628
  646    H    LYS  85           HN       LYS  85  -1.446 -10.706  -7.952
  647    HA   LYS  85           HA       LYS  85  -2.183  -8.003  -7.127
  648   1HB   LYS  85           HB2      LYS  85   0.135  -8.621  -7.771
  649   2HB   LYS  85           HB1      LYS  85  -0.418  -8.896  -9.421
  650   1HG   LYS  85           HG2      LYS  85  -1.123  -6.545  -9.595
  651   2HG   LYS  85           HG1      LYS  85  -0.638  -6.265  -7.925
  652   1HD   LYS  85           HD2      LYS  85   1.193  -5.477  -9.232
  653   2HD   LYS  85           HD1      LYS  85   1.702  -7.049  -8.624
  654   1HE   LYS  85           HE2      LYS  85   1.325  -8.106 -10.723
  655   2HE   LYS  85           HE1      LYS  85   0.389  -6.740 -11.332
  656   1HZ   LYS  85           HZ3      LYS  85   2.456  -5.396 -11.123
  657   2HZ   LYS  85           HZ2      LYS  85   3.302  -6.828 -10.777
  658   3HZ   LYS  85           HZ1      LYS  85   2.542  -6.629 -12.283
  659    H    VAL  86           HN       VAL  86  -3.654  -6.699  -8.038
  660    HA   VAL  86           HA       VAL  86  -4.763  -7.421 -10.728
  661    HB   VAL  86           HB       VAL  86  -6.905  -6.403  -9.874
  662   1HG1  VAL  86          HG13      VAL  86  -6.361  -8.901  -9.870
  663   2HG1  VAL  86          HG12      VAL  86  -5.978  -8.717  -8.158
  664   3HG1  VAL  86          HG11      VAL  86  -7.611  -8.386  -8.737
  665   1HG2  VAL  86          HG21      VAL  86  -5.878  -5.093  -8.047
  666   2HG2  VAL  86          HG23      VAL  86  -7.135  -6.168  -7.432
  667   3HG2  VAL  86          HG22      VAL  86  -5.435  -6.590  -7.228
  668    H    GLY  87           HN       GLY  87  -2.744  -5.239  -9.404
  669   1HA   GLY  87           HA2      GLY  87  -2.916  -3.340 -11.424
  670   2HA   GLY  87           HA1      GLY  87  -4.073  -2.775 -10.228
  671    H    GLU  88           HN       GLU  88  -1.851  -1.289 -10.981
  672    HA   GLU  88           HA       GLU  88  -0.661  -0.758  -8.397
  673   1HB   GLU  88           HB2      GLU  88   0.812  -2.576  -8.966
  674   2HB   GLU  88           HB1      GLU  88   1.042  -1.949 -10.592
  675   1HG   GLU  88           HG2      GLU  88   2.249  -0.022  -9.741
  676   2HG   GLU  88           HG1      GLU  88   1.872  -0.472  -8.076
  677    H    PHE  89           HN       PHE  89   0.528   1.236  -8.418
  678    HA   PHE  89           HA       PHE  89   1.000   2.682 -10.869
  679   1HB   PHE  89           HB2      PHE  89  -0.718   4.302 -10.850
  680   2HB   PHE  89           HB1      PHE  89  -1.550   2.780 -10.581
  681    HD1  PHE  89           HD1      PHE  89  -0.096   5.722  -8.792
  682    HD2  PHE  89           HD2      PHE  89  -2.902   2.474  -8.664
  683    HE1  PHE  89           HE1      PHE  89  -1.077   6.652  -6.709
  684    HE2  PHE  89           HE2      PHE  89  -3.878   3.402  -6.584
  685    HZ   PHE  89           HZ       PHE  89  -2.974   5.493  -5.610
  686    H    SER  90           HN       SER  90   1.965   4.787 -10.457
  687    HA   SER  90           HA       SER  90   2.907   5.155  -7.631
  688   1HB   SER  90           HB2      SER  90   5.058   5.920  -8.539
  689   2HB   SER  90           HB1      SER  90   4.738   4.252  -9.015
  690    HG   SER  90           HG       SER  90   4.818   6.590 -10.517
  691    H    GLY  91           HN       GLY  91   3.568   7.360  -7.157
  692   1HA   GLY  91           HA2      GLY  91   3.588   9.725  -8.082
  693   2HA   GLY  91           HA1      GLY  91   2.007   9.365  -8.763
  694    H    ALA  92           HN       ALA  92   2.910  11.321  -6.625
  695    HA   ALA  92           HA       ALA  92   1.643  10.305  -4.189
  696   1HB   ALA  92           HB2      ALA  92   2.664  13.024  -5.044
  697   2HB   ALA  92           HB1      ALA  92   1.949  12.719  -3.460
  698   3HB   ALA  92           HB3      ALA  92   3.432  11.888  -3.935
  699    H    ASN  93           HN       ASN  93  -0.325   9.799  -5.762
  700    HA   ASN  93           HA       ASN  93  -2.211  12.140  -5.721
  701   1HB   ASN  93           HB2      ASN  93  -1.628  11.191  -8.001
  702   2HB   ASN  93           HB1      ASN  93  -2.383   9.682  -7.489
  703   1HD2  ASN  93          HD22      ASN  93  -5.302  12.383  -7.087
  704   2HD2  ASN  93          HD21      ASN  93  -4.036  12.204  -5.972
  705    H    LYS  94           HN       LYS  94  -3.119  11.787  -3.708
  706    HA   LYS  94           HA       LYS  94  -3.810   9.171  -2.690
  707   1HB   LYS  94           HB2      LYS  94  -5.086  10.512  -0.997
  708   2HB   LYS  94           HB1      LYS  94  -3.378  10.906  -1.126
  709   1HG   LYS  94           HG2      LYS  94  -5.014  12.537  -2.954
  710   2HG   LYS  94           HG1      LYS  94  -5.530  12.728  -1.284
  711   1HD   LYS  94           HD2      LYS  94  -3.116  13.159  -0.667
  712   2HD   LYS  94           HD1      LYS  94  -2.740  13.171  -2.393
  713   1HE   LYS  94           HE2      LYS  94  -4.292  15.021  -2.747
  714   2HE   LYS  94           HE1      LYS  94  -4.790  14.958  -1.056
  715   1HZ   LYS  94           HZ2      LYS  94  -2.251  15.263  -0.647
  716   2HZ   LYS  94           HZ1      LYS  94  -2.263  15.910  -2.217
  717   3HZ   LYS  94           HZ3      LYS  94  -3.221  16.610  -1.006
  718    H    GLU  95           HN       GLU  95  -5.624  11.640  -4.476
  719    HA   GLU  95           HA       GLU  95  -8.235  10.562  -4.094
  720   1HB   GLU  95           HB2      GLU  95  -7.091  12.040  -6.488
  721   2HB   GLU  95           HB1      GLU  95  -8.804  11.832  -6.137
  722   1HG   GLU  95           HG2      GLU  95  -6.869  13.164  -4.232
  723   2HG   GLU  95           HG1      GLU  95  -7.849  14.054  -5.396
  724    H    LYS  96           HN       LYS  96  -5.597   9.687  -6.198
  725    HA   LYS  96           HA       LYS  96  -6.982   8.116  -8.117
  726   1HB   LYS  96           HB2      LYS  96  -4.583   8.878  -8.147
  727   2HB   LYS  96           HB1      LYS  96  -4.218   7.604  -6.996
  728   1HG   LYS  96           HG2      LYS  96  -4.697   5.892  -8.538
  729   2HG   LYS  96           HG1      LYS  96  -5.604   6.971  -9.599
  730   1HD   LYS  96           HD2      LYS  96  -3.503   8.206 -10.102
  731   2HD   LYS  96           HD1      LYS  96  -2.609   7.062  -9.105
  732   1HE   LYS  96           HE2      LYS  96  -3.331   5.214 -10.577
  733   2HE   LYS  96           HE1      LYS  96  -4.232   6.359 -11.570
  734   1HZ   LYS  96           HZ3      LYS  96  -1.862   7.530 -11.543
  735   2HZ   LYS  96           HZ2      LYS  96  -1.364   5.914 -11.385
  736   3HZ   LYS  96           HZ1      LYS  96  -2.309   6.389 -12.715
  737    H    LEU  97           HN       LEU  97  -5.747   7.349  -4.898
  738    HA   LEU  97           HA       LEU  97  -6.158   4.533  -4.903
  739   1HB   LEU  97           HB2      LEU  97  -6.391   6.629  -2.725
  740   2HB   LEU  97           HB1      LEU  97  -6.530   4.914  -2.399
  741    HG   LEU  97           HG       LEU  97  -4.136   6.177  -3.749
  742   1HD1  LEU  97          HD11      LEU  97  -4.718   5.622  -0.838
  743   2HD1  LEU  97          HD13      LEU  97  -3.066   5.712  -1.448
  744   3HD1  LEU  97          HD12      LEU  97  -4.131   7.114  -1.573
  745   1HD2  LEU  97          HD23      LEU  97  -4.847   3.404  -2.798
  746   2HD2  LEU  97          HD22      LEU  97  -4.010   3.899  -4.265
  747   3HD2  LEU  97          HD21      LEU  97  -3.166   3.920  -2.725
  748    H    GLU  98           HN       GLU  98  -8.276   7.264  -4.241
  749    HA   GLU  98           HA       GLU  98 -10.547   5.804  -3.319
  750   1HB   GLU  98           HB2      GLU  98 -10.299   8.280  -3.147
  751   2HB   GLU  98           HB1      GLU  98 -10.557   8.403  -4.886
  752   1HG   GLU  98           HG2      GLU  98 -12.785   7.309  -4.603
  753   2HG   GLU  98           HG1      GLU  98 -12.529   7.307  -2.857
  754    H    ALA  99           HN       ALA  99  -9.668   6.783  -6.642
  755    HA   ALA  99           HA       ALA  99 -12.077   5.624  -7.751
  756   1HB   ALA  99           HB2      ALA  99 -10.615   7.426  -8.823
  757   2HB   ALA  99           HB1      ALA  99  -9.511   6.124  -9.270
  758   3HB   ALA  99           HB3      ALA  99 -11.163   6.132  -9.889
  759    H    THR 100           HN       THR 100  -8.701   4.434  -7.538
  760    HA   THR 100           HA       THR 100  -9.195   2.036  -9.008
  761    HB   THR 100           HB       THR 100  -7.208   2.319  -6.742
  762    HG1  THR 100           HG1      THR 100  -5.828   3.138  -8.327
  763   1HG2  THR 100          HG21      THR 100  -7.312   0.657  -9.272
  764   2HG2  THR 100          HG23      THR 100  -5.928   0.732  -8.182
  765   3HG2  THR 100          HG22      THR 100  -7.460   0.062  -7.618
  766    H    ILE 101           HN       ILE 101  -9.498   2.769  -5.547
  767    HA   ILE 101           HA       ILE 101 -10.074   0.098  -4.660
  768    HB   ILE 101           HB       ILE 101 -10.922   2.813  -3.591
  769   1HG1  ILE 101          HG12      ILE 101  -8.935   0.848  -2.426
  770   2HG1  ILE 101          HG11      ILE 101  -8.450   2.043  -3.626
  771   1HG2  ILE 101          HG21      ILE 101 -11.333   0.031  -2.463
  772   2HG2  ILE 101          HG23      ILE 101 -11.362   1.477  -1.454
  773   3HG2  ILE 101          HG22      ILE 101 -12.550   1.275  -2.743
  774   1HD1  ILE 101          HD11      ILE 101  -9.451   3.819  -2.111
  775   2HD1  ILE 101          HD13      ILE 101  -9.634   2.563  -0.888
  776   3HD1  ILE 101          HD12      ILE 101  -8.029   3.007  -1.464
  777    H    ASN 102           HN       ASN 102 -12.213   2.783  -5.573
  778    HA   ASN 102           HA       ASN 102 -14.655   1.341  -5.342
  779   1HB   ASN 102           HB2      ASN 102 -14.501   3.818  -5.572
  780   2HB   ASN 102           HB1      ASN 102 -13.979   3.608  -7.245
  781   1HD2  ASN 102          HD22      ASN 102 -17.889   3.590  -6.444
  782   2HD2  ASN 102          HD21      ASN 102 -16.707   4.136  -5.355
  783    H    GLU 103           HN       GLU 103 -12.279   1.619  -7.895
  784    HA   GLU 103           HA       GLU 103 -13.816   0.411  -9.985
  785   1HB   GLU 103           HB2      GLU 103 -11.688   1.786 -10.209
  786   2HB   GLU 103           HB1      GLU 103 -10.807   0.367  -9.658
  787   1HG   GLU 103           HG2      GLU 103 -12.685   0.257 -12.026
  788   2HG   GLU 103           HG1      GLU 103 -10.975   0.653 -12.194
  789    H    LEU 104           HN       LEU 104 -11.579  -0.958  -7.552
  790    HA   LEU 104           HA       LEU 104 -12.166  -3.693  -8.594
  791   1HB   LEU 104           HB2      LEU 104 -10.154  -2.754  -6.543
  792   2HB   LEU 104           HB1      LEU 104 -10.314  -4.410  -7.130
  793    HG   LEU 104           HG       LEU 104  -9.709  -2.033  -8.913
  794   1HD1  LEU 104          HD12      LEU 104  -7.906  -3.993  -7.496
  795   2HD1  LEU 104          HD11      LEU 104  -7.385  -3.131  -8.941
  796   3HD1  LEU 104          HD13      LEU 104  -7.823  -2.237  -7.487
  797   1HD2  LEU 104          HD21      LEU 104  -9.783  -5.036  -9.310
  798   2HD2  LEU 104          HD23      LEU 104 -10.603  -3.793 -10.255
  799   3HD2  LEU 104          HD22      LEU 104  -8.860  -3.989 -10.387
  800    H    VAL 105           HN       VAL 105 -13.443  -1.650  -6.219
  801    HA   VAL 105           HA       VAL 105 -13.657  -3.497  -4.027
  802    HB   VAL 105           HB       VAL 105 -14.168  -1.005  -3.912
  803   1HG1  VAL 105          HG12      VAL 105 -15.763  -1.186  -5.951
  804   2HG1  VAL 105          HG11      VAL 105 -16.950  -1.777  -4.793
  805   3HG1  VAL 105          HG13      VAL 105 -16.261  -0.165  -4.607
  806   1HG2  VAL 105          HG22      VAL 105 -16.160  -3.009  -2.829
  807   2HG2  VAL 105          HG21      VAL 105 -14.679  -2.461  -2.043
  808   3HG2  VAL 105          HG23      VAL 105 -16.027  -1.344  -2.262
  809    HA   PRO  59           HA       PRO 106  14.615  14.587 -13.970
  810   1HB   PRO  59           HB2      PRO 106  16.901  13.886 -12.540
  811   2HB   PRO  59           HB1      PRO 106  16.897  14.343 -14.252
  812   1HG   PRO  59           HG2      PRO 106  17.552  16.002 -11.859
  813   2HG   PRO  59           HG1      PRO 106  18.340  15.955 -13.446
  814   1HD   PRO  59           HD2      PRO 106  16.631  17.942 -12.775
  815   2HD   PRO  59           HD1      PRO 106  16.723  17.319 -14.436
  816    H    ALA  60           HN       ALA 107  15.130  16.273 -10.914
  817    HA   ALA  60           HA       ALA 107  14.101  13.947  -9.369
  818   1HB   ALA  60           HB1      ALA 107  16.057  15.286  -8.525
  819   2HB   ALA  60           HB3      ALA 107  14.978  16.670  -8.363
  820   3HB   ALA  60           HB2      ALA 107  14.706  15.221  -7.396
  821    H    THR  61           HN       THR 108  11.967  13.809  -8.902
  822    HA   THR  61           HA       THR 108  10.281  16.291  -9.120
  823    HB   THR  61           HB       THR 108   9.360  13.405  -9.289
  824    HG1  THR  61           HG1      THR 108  10.442  15.147 -11.171
  825   1HG2  THR  61          HG23      THR 108   7.694  15.186  -8.686
  826   2HG2  THR  61          HG22      THR 108   8.064  15.982 -10.216
  827   3HG2  THR  61          HG21      THR 108   7.339  14.373 -10.210
  828    H    LEU  62           HN       LEU 109   9.324  16.981  -7.247
  829    HA   LEU  62           HA       LEU 109   9.914  15.741  -4.728
  830   1HB   LEU  62           HB2      LEU 109   7.869  17.836  -5.509
  831   2HB   LEU  62           HB1      LEU 109   8.180  17.362  -3.844
  832    HG   LEU  62           HG       LEU 109  10.322  18.395  -5.725
  833   1HD1  LEU  62          HD11      LEU 109   8.586  19.826  -3.701
  834   2HD1  LEU  62          HD13      LEU 109  10.100  20.496  -4.308
  835   3HD1  LEU  62          HD12      LEU 109   8.764  20.187  -5.419
  836   1HD2  LEU  62          HD22      LEU 109  10.229  17.640  -2.803
  837   2HD2  LEU  62          HD21      LEU 109  11.463  17.276  -4.007
  838   3HD2  LEU  62          HD23      LEU 109  11.343  18.898  -3.336
  839    H    LYS  63           HN       LYS 110   7.201  15.490  -6.935
  840    HA   LYS  63           HA       LYS 110   5.343  14.234  -5.144
  841   1HB   LYS  63           HB2      LYS 110   5.624  13.915  -8.148
  842   2HB   LYS  63           HB1      LYS 110   4.206  13.476  -7.202
  843   1HG   LYS  63           HG2      LYS 110   5.337  16.268  -7.561
  844   2HG   LYS  63           HG1      LYS 110   3.842  15.645  -8.253
  845   1HD   LYS  63           HD2      LYS 110   3.160  15.185  -5.776
  846   2HD   LYS  63           HD1      LYS 110   4.452  16.317  -5.379
  847   1HE   LYS  63           HE2      LYS 110   2.075  16.886  -7.169
  848   2HE   LYS  63           HE1      LYS 110   2.345  17.531  -5.550
  849   1HZ   LYS  63           HZ3      LYS 110   4.637  18.147  -6.835
  850   2HZ   LYS  63           HZ2      LYS 110   3.481  18.345  -8.063
  851   3HZ   LYS  63           HZ1      LYS 110   3.334  19.208  -6.608
  852    H    ILE  64           HN       ILE 111   8.220  13.113  -6.606
  853    HA   ILE  64           HA       ILE 111   7.596  10.292  -5.766
  854    HB   ILE  64           HB       ILE 111   9.134  11.232  -8.217
  855   1HG1  ILE  64          HG12      ILE 111   6.717  11.252  -8.572
  856   2HG1  ILE  64          HG11      ILE 111   7.431   9.912  -9.456
  857   1HG2  ILE  64          HG23      ILE 111   8.865   8.517  -6.938
  858   2HG2  ILE  64          HG22      ILE 111   9.249   8.701  -8.647
  859   3HG2  ILE  64          HG21      ILE 111  10.335   9.359  -7.424
  860   1HD1  ILE  64          HD12      ILE 111   6.865   8.599  -7.182
  861   2HD1  ILE  64          HD11      ILE 111   5.656   9.870  -7.064
  862   3HD1  ILE  64          HD13      ILE 111   5.673   8.801  -8.459
  863    H    CYS  65           HN       CYS 112   9.292   9.269  -4.607
  864    HA   CYS  65           HA       CYS 112  11.691  10.970  -4.025
  865   1HB   CYS  65           HB2      CYS 112  10.928   8.450  -2.531
  866   2HB   CYS  65           HB1      CYS 112  12.027   9.711  -2.015
  867    H    SER  66           HN       SER 113  13.640  10.316  -4.889
  868    HA   SER  66           HA       SER 113  13.679   7.978  -6.650
  869   1HB   SER  66           HB2      SER 113  15.850   9.950  -5.890
  870   2HB   SER  66           HB1      SER 113  16.000   8.726  -7.148
  871    HG   SER  66           HG       SER 113  14.859  11.147  -7.261
  872    H    TRP  67           HN       TRP 114  14.877   6.081  -6.396
  873    HA   TRP  67           HA       TRP 114  15.510   5.269  -3.666
  874   1HB   TRP  67           HB2      TRP 114  15.809   3.899  -6.358
  875   2HB   TRP  67           HB1      TRP 114  16.240   3.130  -4.829
  876    HD1  TRP  67           HD1      TRP 114  13.211   5.117  -6.157
  877    HE1  TRP  67           HE1      TRP 114  11.062   3.952  -5.353
  878    HE3  TRP  67           HE3      TRP 114  15.219   1.242  -3.530
  879    HZ2  TRP  67           HZ2      TRP 114  10.316   1.706  -3.779
  880    HZ3  TRP  67           HZ3      TRP 114  13.770  -0.394  -2.391
  881    HH2  TRP  67           HH2      TRP 114  11.314  -0.170  -2.527
  882    H    ASN  68           HN       ASN 115  17.195   6.905  -6.108
  883    HA   ASN  68           HA       ASN 115  19.835   5.933  -5.952
  884   1HB   ASN  68           HB2      ASN 115  18.821   8.788  -6.191
  885   2HB   ASN  68           HB1      ASN 115  20.513   8.333  -6.400
  886   1HD2  ASN  68          HD22      ASN 115  18.573   6.148  -9.137
  887   2HD2  ASN  68          HD21      ASN 115  18.596   5.769  -7.484
  888    H    VAL  69           HN       VAL 116  17.888   7.183  -3.474
  889    HA   VAL  69           HA       VAL 116  19.853   8.497  -1.848
  890    HB   VAL  69           HB       VAL 116  18.278   8.005   0.032
  891   1HG1  VAL  69          HG13      VAL 116  17.987   9.895  -1.673
  892   2HG1  VAL  69          HG12      VAL 116  16.773   8.879  -2.437
  893   3HG1  VAL  69          HG11      VAL 116  16.540   9.427  -0.782
  894   1HG2  VAL  69          HG21      VAL 116  16.794   6.478  -2.137
  895   2HG2  VAL  69          HG23      VAL 116  17.548   5.771  -0.708
  896   3HG2  VAL  69          HG22      VAL 116  16.151   6.837  -0.539
  897    H    ASP  70           HN       ASP 117  21.267   7.679  -0.322
  898    HA   ASP  70           HA       ASP 117  22.317   5.068  -0.674
  899   1HB   ASP  70           HB2      ASP 117  22.517   7.007   1.646
  900   2HB   ASP  70           HB1      ASP 117  23.437   5.505   1.563
  901    H    GLY  71           HN       GLY 118  19.947   6.328   1.656
  902   1HA   GLY  71           HA2      GLY 118  18.541   3.903   1.941
  903   2HA   GLY  71           HA1      GLY 118  19.764   3.923   3.212
   
  No H/Q in entry =         903
  Start of MODEL   14
    1   1H    MET   1           HT1      MET   1  -8.547  -0.099   9.364
    2   2H    MET   1           HT3      MET   1  -9.419  -1.469   9.869
    3   3H    MET   1           HT2      MET   1  -9.416  -0.062  10.823
    4    HA   MET   1           HA       MET   1  -7.363  -0.440  11.677
    5   1HB   MET   1           HB2      MET   1  -8.843  -2.389  12.207
    6   2HB   MET   1           HB1      MET   1  -8.181  -3.232  10.808
    7   1HG   MET   1           HG2      MET   1  -6.374  -2.141  12.966
    8   2HG   MET   1           HG1      MET   1  -7.120  -3.728  13.119
    9   1HE   MET   1           HE3      MET   1  -4.398  -3.693  13.473
   10   2HE   MET   1           HE2      MET   1  -4.887  -5.312  12.987
   11   3HE   MET   1           HE1      MET   1  -3.471  -4.570  12.248
   12    H    VAL   2           HN       VAL   2  -5.271  -0.252  11.054
   13    HA   VAL   2           HA       VAL   2  -4.519  -1.144   8.297
   14    HB   VAL   2           HB       VAL   2  -3.199   0.810  10.210
   15   1HG1  VAL   2          HG12      VAL   2  -2.426  -0.226   7.479
   16   2HG1  VAL   2          HG11      VAL   2  -1.853   1.332   8.080
   17   3HG1  VAL   2          HG13      VAL   2  -1.440  -0.147   8.940
   18   1HG2  VAL   2          HG23      VAL   2  -4.846   1.100   7.687
   19   2HG2  VAL   2          HG22      VAL   2  -5.188   1.775   9.280
   20   3HG2  VAL   2          HG21      VAL   2  -3.849   2.404   8.322
   21    H    LYS   3           HN       LYS   3  -2.483  -2.268   7.990
   22    HA   LYS   3           HA       LYS   3  -1.376  -3.596  10.445
   23   1HB   LYS   3           HB2      LYS   3  -2.892  -5.143   9.217
   24   2HB   LYS   3           HB1      LYS   3  -1.943  -4.887   7.754
   25   1HG   LYS   3           HG2      LYS   3  -0.227  -6.235   8.456
   26   2HG   LYS   3           HG1      LYS   3  -0.352  -5.707  10.132
   27   1HD   LYS   3           HD2      LYS   3  -0.965  -8.058   9.973
   28   2HD   LYS   3           HD1      LYS   3  -2.397  -7.117  10.385
   29   1HE   LYS   3           HE2      LYS   3  -3.138  -7.156   8.057
   30   2HE   LYS   3           HE1      LYS   3  -1.659  -7.985   7.573
   31   1HZ   LYS   3           HZ2      LYS   3  -2.315  -9.796   9.119
   32   2HZ   LYS   3           HZ1      LYS   3  -3.810  -9.019   9.330
   33   3HZ   LYS   3           HZ3      LYS   3  -3.366  -9.596   7.800
   34    H    GLN   4           HN       GLN   4   0.815  -3.321  10.545
   35    HA   GLN   4           HA       GLN   4   2.201  -2.223   8.155
   36   1HB   GLN   4           HB2      GLN   4   2.473  -1.055  10.313
   37   2HB   GLN   4           HB1      GLN   4   3.137  -2.525  11.027
   38   1HG   GLN   4           HG2      GLN   4   4.995  -2.483   9.388
   39   2HG   GLN   4           HG1      GLN   4   4.332  -1.003   8.686
   40   1HE2  GLN   4          HE22      GLN   4   6.576   0.619  10.947
   41   2HE2  GLN   4          HE21      GLN   4   6.339   0.160   9.329
   42    H    ILE   5           HN       ILE   5   3.408  -3.515   6.910
   43    HA   ILE   5           HA       ILE   5   4.105  -6.262   7.858
   44    HB   ILE   5           HB       ILE   5   4.354  -5.087   5.078
   45   1HG1  ILE   5          HG12      ILE   5   2.017  -4.851   5.791
   46   2HG1  ILE   5          HG11      ILE   5   2.158  -6.134   4.594
   47   1HG2  ILE   5          HG22      ILE   5   4.261  -7.884   6.213
   48   2HG2  ILE   5          HG21      ILE   5   4.069  -7.524   4.507
   49   3HG2  ILE   5          HG23      ILE   5   5.575  -7.122   5.313
   50   1HD1  ILE   5          HD11      ILE   5   2.236  -7.796   6.480
   51   2HD1  ILE   5          HD13      ILE   5   1.902  -6.470   7.594
   52   3HD1  ILE   5          HD12      ILE   5   0.721  -6.906   6.374
   53    H    GLU   6           HN       GLU   6   6.144  -6.408   8.696
   54    HA   GLU   6           HA       GLU   6   8.221  -4.485   7.752
   55   1HB   GLU   6           HB2      GLU   6   8.243  -6.424  10.091
   56   2HB   GLU   6           HB1      GLU   6   9.483  -5.216   9.726
   57   1HG   GLU   6           HG2      GLU   6   6.586  -4.495  10.159
   58   2HG   GLU   6           HG1      GLU   6   7.770  -4.519  11.466
   59    H    SER   7           HN       SER   7   7.127  -7.546   6.995
   60    HA   SER   7           HA       SER   7   9.703  -8.159   5.670
   61   1HB   SER   7           HB2      SER   7   9.789 -10.453   6.564
   62   2HB   SER   7           HB1      SER   7   9.946  -9.258   7.851
   63    HG   SER   7           HG       SER   7   7.463  -9.573   7.836
   64    H    LYS   8           HN       LYS   8   9.517  -9.775   4.024
   65    HA   LYS   8           HA       LYS   8   7.033  -9.770   2.592
   66   1HB   LYS   8           HB2      LYS   8   9.360 -10.259   1.633
   67   2HB   LYS   8           HB1      LYS   8   9.196 -11.875   2.327
   68   1HG   LYS   8           HG2      LYS   8   6.924 -11.974   1.102
   69   2HG   LYS   8           HG1      LYS   8   7.508 -10.577   0.193
   70   1HD   LYS   8           HD2      LYS   8   8.964 -13.227   0.411
   71   2HD   LYS   8           HD1      LYS   8   7.982 -12.726  -0.967
   72   1HE   LYS   8           HE2      LYS   8   9.467 -10.662  -1.098
   73   2HE   LYS   8           HE1      LYS   8  10.541 -11.478   0.036
   74   1HZ   LYS   8           HZ3      LYS   8  10.181 -13.416  -1.704
   75   2HZ   LYS   8           HZ2      LYS   8   9.974 -12.093  -2.749
   76   3HZ   LYS   8           HZ1      LYS   8  11.415 -12.265  -1.868
   77    H    THR   9           HN       THR   9   8.496 -11.948   4.948
   78    HA   THR   9           HA       THR   9   6.816 -14.178   4.593
   79    HB   THR   9           HB       THR   9   7.818 -13.098   7.235
   80    HG1  THR   9           HG1      THR   9   9.000 -14.868   5.360
   81   1HG2  THR   9          HG22      THR   9   6.938 -15.845   6.324
   82   2HG2  THR   9          HG21      THR   9   7.734 -15.520   7.861
   83   3HG2  THR   9          HG23      THR   9   6.149 -14.825   7.529
   84    H    ALA  10           HN       ALA  10   6.328 -11.348   6.707
   85    HA   ALA  10           HA       ALA  10   3.669 -12.127   7.536
   86   1HB   ALA  10           HB1      ALA  10   5.300  -9.594   7.652
   87   2HB   ALA  10           HB3      ALA  10   3.568  -9.508   7.988
   88   3HB   ALA  10           HB2      ALA  10   4.610 -10.526   8.975
   89    H    PHE  11           HN       PHE  11   4.968 -10.370   4.764
   90    HA   PHE  11           HA       PHE  11   2.561  -9.129   3.852
   91   1HB   PHE  11           HB2      PHE  11   4.900  -8.806   2.892
   92   2HB   PHE  11           HB1      PHE  11   4.727 -10.361   2.109
   93    HD1  PHE  11           HD1      PHE  11   2.772  -7.167   2.503
   94    HD2  PHE  11           HD2      PHE  11   3.948 -10.386  -0.090
   95    HE1  PHE  11           HE1      PHE  11   1.570  -6.099   0.621
   96    HE2  PHE  11           HE2      PHE  11   2.739  -9.314  -1.971
   97    HZ   PHE  11           HZ       PHE  11   1.546  -7.169  -1.617
   98    H    GLN  12           HN       GLN  12   3.901 -12.362   3.262
   99    HA   GLN  12           HA       GLN  12   1.815 -13.252   1.489
  100   1HB   GLN  12           HB2      GLN  12   3.568 -14.841   3.406
  101   2HB   GLN  12           HB1      GLN  12   2.628 -15.524   2.080
  102   1HG   GLN  12           HG2      GLN  12   4.819 -13.455   1.753
  103   2HG   GLN  12           HG1      GLN  12   5.016 -15.186   1.472
  104   1HE2  GLN  12          HE22      GLN  12   3.511 -12.929  -1.464
  105   2HE2  GLN  12          HE21      GLN  12   4.291 -12.297  -0.095
  106    H    GLU  13           HN       GLU  13   2.291 -13.428   4.986
  107    HA   GLU  13           HA       GLU  13  -0.084 -14.922   5.596
  108   1HB   GLU  13           HB2      GLU  13   1.493 -12.964   7.295
  109   2HB   GLU  13           HB1      GLU  13   0.302 -14.105   7.903
  110   1HG   GLU  13           HG2      GLU  13   2.798 -14.907   6.385
  111   2HG   GLU  13           HG1      GLU  13   2.643 -14.938   8.140
  112    H    ALA  14           HN       ALA  14   0.573 -11.462   5.245
  113    HA   ALA  14           HA       ALA  14  -1.967 -10.589   6.292
  114   1HB   ALA  14           HB2      ALA  14  -0.066  -9.228   4.361
  115   2HB   ALA  14           HB1      ALA  14  -1.432  -8.444   5.157
  116   3HB   ALA  14           HB3      ALA  14  -0.083  -9.046   6.115
  117    H    LEU  15           HN       LEU  15  -0.768 -11.342   3.054
  118    HA   LEU  15           HA       LEU  15  -3.107 -10.604   1.606
  119   1HB   LEU  15           HB2      LEU  15  -0.960 -12.679   1.103
  120   2HB   LEU  15           HB1      LEU  15  -2.232 -12.324  -0.063
  121    HG   LEU  15           HG       LEU  15  -0.450 -10.162   1.081
  122   1HD1  LEU  15          HD11      LEU  15   0.037 -12.052  -1.215
  123   2HD1  LEU  15          HD13      LEU  15   0.696 -10.420  -1.257
  124   3HD1  LEU  15          HD12      LEU  15   1.155 -11.518   0.042
  125   1HD2  LEU  15          HD22      LEU  15  -2.372 -10.378  -1.249
  126   2HD2  LEU  15          HD21      LEU  15  -2.313  -9.156   0.017
  127   3HD2  LEU  15          HD23      LEU  15  -1.094  -9.166  -1.253
  128    H    ASP  16           HN       ASP  16  -2.109 -13.631   3.159
  129    HA   ASP  16           HA       ASP  16  -4.431 -15.120   2.364
  130   1HB   ASP  16           HB2      ASP  16  -2.211 -16.054   3.239
  131   2HB   ASP  16           HB1      ASP  16  -2.799 -15.646   4.855
  132    H    ALA  17           HN       ALA  17  -3.670 -13.137   5.206
  133    HA   ALA  17           HA       ALA  17  -6.003 -13.875   6.710
  134   1HB   ALA  17           HB3      ALA  17  -4.268 -11.384   6.803
  135   2HB   ALA  17           HB2      ALA  17  -5.520 -11.757   7.987
  136   3HB   ALA  17           HB1      ALA  17  -4.118 -12.815   7.822
  137    H    ALA  18           HN       ALA  18  -5.362 -11.304   4.356
  138    HA   ALA  18           HA       ALA  18  -7.785  -9.851   4.679
  139   1HB   ALA  18           HB2      ALA  18  -6.028 -10.300   2.263
  140   2HB   ALA  18           HB1      ALA  18  -7.392  -9.183   2.268
  141   3HB   ALA  18           HB3      ALA  18  -6.021  -8.910   3.349
  142    H    GLY  19           HN       GLY  19  -7.114 -12.849   2.952
  143   1HA   GLY  19           HA2      GLY  19  -8.608 -14.416   2.040
  144   2HA   GLY  19           HA1      GLY  19  -9.903 -13.554   2.864
  145    H    ASP  20           HN       ASP  20 -11.424 -13.013   1.372
  146    HA   ASP  20           HA       ASP  20 -10.603 -12.403  -1.404
  147   1HB   ASP  20           HB2      ASP  20 -13.342 -12.637  -0.129
  148   2HB   ASP  20           HB1      ASP  20 -13.031 -12.449  -1.857
  149    H    LYS  21           HN       LYS  21 -10.736 -10.633   1.340
  150    HA   LYS  21           HA       LYS  21 -12.255  -8.327   0.422
  151   1HB   LYS  21           HB2      LYS  21 -10.195  -8.666   2.623
  152   2HB   LYS  21           HB1      LYS  21 -11.101  -7.179   2.347
  153   1HG   LYS  21           HG2      LYS  21 -13.214  -8.668   2.519
  154   2HG   LYS  21           HG1      LYS  21 -12.137  -9.874   3.229
  155   1HD   LYS  21           HD2      LYS  21 -11.417  -8.211   4.923
  156   2HD   LYS  21           HD1      LYS  21 -12.555  -7.048   4.243
  157   1HE   LYS  21           HE2      LYS  21 -13.610  -8.098   6.150
  158   2HE   LYS  21           HE1      LYS  21 -14.401  -8.695   4.693
  159   1HZ   LYS  21           HZ1      LYS  21 -12.122 -10.139   5.885
  160   2HZ   LYS  21           HZ3      LYS  21 -13.696 -10.380   6.464
  161   3HZ   LYS  21           HZ2      LYS  21 -13.326 -10.728   4.843
  162    H    LEU  22           HN       LEU  22 -11.377  -6.324  -0.402
  163    HA   LEU  22           HA       LEU  22  -9.203  -6.569  -2.203
  164   1HB   LEU  22           HB2      LEU  22 -11.178  -4.682  -1.745
  165   2HB   LEU  22           HB1      LEU  22  -9.754  -3.836  -1.169
  166    HG   LEU  22           HG       LEU  22 -10.214  -4.954  -3.938
  167   1HD1  LEU  22          HD11      LEU  22 -10.259  -2.232  -2.703
  168   2HD1  LEU  22          HD13      LEU  22  -9.477  -2.347  -4.272
  169   3HD1  LEU  22          HD12      LEU  22 -11.149  -2.860  -4.083
  170   1HD2  LEU  22          HD22      LEU  22  -7.693  -3.912  -2.636
  171   2HD2  LEU  22          HD21      LEU  22  -7.901  -5.389  -3.577
  172   3HD2  LEU  22          HD23      LEU  22  -7.927  -3.829  -4.377
  173    H    VAL  23           HN       VAL  23  -7.029  -5.586  -2.013
  174    HA   VAL  23           HA       VAL  23  -6.127  -4.949   0.743
  175    HB   VAL  23           HB       VAL  23  -4.848  -7.038  -1.053
  176   1HG1  VAL  23          HG11      VAL  23  -4.033  -5.808   1.584
  177   2HG1  VAL  23          HG13      VAL  23  -3.430  -7.381   1.063
  178   3HG1  VAL  23          HG12      VAL  23  -3.082  -5.944   0.106
  179   1HG2  VAL  23          HG21      VAL  23  -6.440  -7.195   1.505
  180   2HG2  VAL  23          HG23      VAL  23  -6.736  -8.038  -0.018
  181   3HG2  VAL  23          HG22      VAL  23  -5.362  -8.489   0.985
  182    H    VAL  24           HN       VAL  24  -5.332  -2.914   0.403
  183    HA   VAL  24           HA       VAL  24  -3.824  -2.370  -2.117
  184    HB   VAL  24           HB       VAL  24  -4.720  -0.417   0.035
  185   1HG1  VAL  24          HG11      VAL  24  -2.831   0.238  -1.528
  186   2HG1  VAL  24          HG13      VAL  24  -3.988   0.098  -2.854
  187   3HG1  VAL  24          HG12      VAL  24  -4.250   1.286  -1.583
  188   1HG2  VAL  24          HG23      VAL  24  -6.084  -1.387  -2.480
  189   2HG2  VAL  24          HG22      VAL  24  -6.734  -1.313  -0.843
  190   3HG2  VAL  24          HG21      VAL  24  -6.471   0.172  -1.759
  191    H    VAL  25           HN       VAL  25  -1.579  -1.823  -1.988
  192    HA   VAL  25           HA       VAL  25  -0.343  -1.969   0.756
  193    HB   VAL  25           HB       VAL  25   0.890  -2.936  -1.838
  194   1HG1  VAL  25          HG12      VAL  25   2.414  -2.224   0.045
  195   2HG1  VAL  25          HG11      VAL  25   1.681  -3.488   1.030
  196   3HG1  VAL  25          HG13      VAL  25   2.577  -3.911  -0.430
  197   1HG2  VAL  25          HG21      VAL  25  -1.133  -4.267  -1.132
  198   2HG2  VAL  25          HG23      VAL  25   0.367  -5.191  -1.127
  199   3HG2  VAL  25          HG22      VAL  25  -0.312  -4.605   0.390
  200    H    ASP  26           HN       ASP  26   0.650  -0.115   1.290
  201    HA   ASP  26           HA       ASP  26   1.476   1.788  -0.860
  202   1HB   ASP  26           HB2      ASP  26   0.052   2.666   0.956
  203   2HB   ASP  26           HB1      ASP  26   1.265   2.186   2.142
  204    H    PHE  27           HN       PHE  27   3.576   1.828  -1.428
  205    HA   PHE  27           HA       PHE  27   5.629   0.619   0.363
  206   1HB   PHE  27           HB2      PHE  27   5.591   1.359  -2.571
  207   2HB   PHE  27           HB1      PHE  27   7.089   0.935  -1.728
  208    HD1  PHE  27           HD1      PHE  27   7.307  -1.316  -0.633
  209    HD2  PHE  27           HD2      PHE  27   4.019  -0.323  -3.207
  210    HE1  PHE  27           HE1      PHE  27   6.798  -3.723  -0.909
  211    HE2  PHE  27           HE2      PHE  27   3.518  -2.731  -3.482
  212    HZ   PHE  27           HZ       PHE  27   4.898  -4.433  -2.333
  213    H    SER  28           HN       SER  28   4.385   3.419   0.594
  214    HA   SER  28           HA       SER  28   6.222   5.393  -0.154
  215   1HB   SER  28           HB2      SER  28   4.622   5.258   2.408
  216   2HB   SER  28           HB1      SER  28   5.360   6.707   1.728
  217    HG   SER  28           HG       SER  28   3.579   5.092   0.243
  218    H    ALA  29           HN       ALA  29   8.001   6.328   0.794
  219    HA   ALA  29           HA       ALA  29   9.597   4.566   2.533
  220   1HB   ALA  29           HB2      ALA  29  10.107   7.097   0.975
  221   2HB   ALA  29           HB1      ALA  29  11.225   6.642   2.262
  222   3HB   ALA  29           HB3      ALA  29  10.964   5.562   0.890
  223    H    THR  30           HN       THR  30   9.605   4.826   4.738
  224    HA   THR  30           HA       THR  30   7.980   6.861   5.958
  225    HB   THR  30           HB       THR  30   8.458   4.714   7.084
  226    HG1  THR  30           HG1      THR  30   8.808   7.165   8.170
  227   1HG2  THR  30          HG22      THR  30  10.831   4.585   6.205
  228   2HG2  THR  30          HG21      THR  30  11.276   5.747   7.456
  229   3HG2  THR  30          HG23      THR  30  10.644   4.164   7.906
  230    H    TRP  31           HN       TRP  31  11.442   6.537   5.294
  231    HA   TRP  31           HA       TRP  31  12.268   8.888   6.760
  232   1HB   TRP  31           HB2      TRP  31  14.362   8.667   5.535
  233   2HB   TRP  31           HB1      TRP  31  13.814   7.081   6.071
  234    HD1  TRP  31           HD1      TRP  31  13.264   5.320   4.292
  235    HE1  TRP  31           HE1      TRP  31  13.463   5.221   1.726
  236    HE3  TRP  31           HE3      TRP  31  14.031  10.270   3.276
  237    HZ2  TRP  31           HZ2      TRP  31  13.866   6.998  -0.458
  238    HZ3  TRP  31           HZ3      TRP  31  14.299  11.035   0.930
  239    HH2  TRP  31           HH2      TRP  31  14.218   9.403  -0.934
  240    H    CYS  32           HN       CYS  32  10.836   8.501   3.576
  241    HA   CYS  32           HA       CYS  32  11.803  11.130   2.670
  242   1HB   CYS  32           HB2      CYS  32  11.275   9.106   1.153
  243   2HB   CYS  32           HB1      CYS  32   9.581   9.504   1.410
  244    H    GLY  33           HN       GLY  33  10.884  12.961   3.404
  245   1HA   GLY  33           HA2      GLY  33   8.539  13.045   5.000
  246   2HA   GLY  33           HA1      GLY  33   9.290  14.446   4.243
  247    HA   PRO  34           HA       PRO  34   6.247  14.874   1.053
  248   1HB   PRO  34           HB2      PRO  34   7.690  13.281  -1.013
  249   2HB   PRO  34           HB1      PRO  34   7.125  14.957  -1.072
  250   1HG   PRO  34           HG2      PRO  34   9.765  14.258  -0.781
  251   2HG   PRO  34           HG1      PRO  34   9.088  15.788  -0.200
  252   1HD   PRO  34           HD2      PRO  34  10.002  13.451   1.367
  253   2HD   PRO  34           HD1      PRO  34   9.722  15.122   1.915
  254    H    ALA  35           HN       ALA  35   7.620  11.573   1.028
  255    HA   ALA  35           HA       ALA  35   5.157  10.350   0.084
  256   1HB   ALA  35           HB3      ALA  35   7.601   9.442  -0.027
  257   2HB   ALA  35           HB2      ALA  35   7.285   8.855   1.603
  258   3HB   ALA  35           HB1      ALA  35   6.284   8.304   0.258
  259    H    LYS  36           HN       LYS  36   6.753  10.447   3.298
  260    HA   LYS  36           HA       LYS  36   4.695   9.042   4.677
  261   1HB   LYS  36           HB2      LYS  36   6.970   9.581   5.603
  262   2HB   LYS  36           HB1      LYS  36   6.431  11.250   5.820
  263   1HG   LYS  36           HG2      LYS  36   4.513  10.375   7.205
  264   2HG   LYS  36           HG1      LYS  36   5.233   8.771   7.091
  265   1HD   LYS  36           HD2      LYS  36   7.273   9.583   8.172
  266   2HD   LYS  36           HD1      LYS  36   6.609  11.214   8.244
  267   1HE   LYS  36           HE2      LYS  36   6.275  10.171  10.404
  268   2HE   LYS  36           HE1      LYS  36   4.705  10.297   9.616
  269   1HZ   LYS  36           HZ3      LYS  36   6.079   7.879   8.950
  270   2HZ   LYS  36           HZ2      LYS  36   5.816   8.024  10.622
  271   3HZ   LYS  36           HZ1      LYS  36   4.505   8.098   9.546
  272    H    MET  37           HN       MET  37   5.076  12.463   3.899
  273    HA   MET  37           HA       MET  37   2.985  13.537   5.462
  274   1HB   MET  37           HB2      MET  37   4.676  14.822   4.118
  275   2HB   MET  37           HB1      MET  37   3.748  14.423   2.674
  276   1HG   MET  37           HG2      MET  37   1.741  15.478   3.726
  277   2HG   MET  37           HG1      MET  37   2.759  15.973   5.083
  278   1HE   MET  37           HE1      MET  37   2.205  18.391   4.861
  279   2HE   MET  37           HE3      MET  37   2.317  19.367   3.393
  280   3HE   MET  37           HE2      MET  37   1.107  18.093   3.517
  281    H    ILE  38           HN       ILE  38   2.887  11.732   2.482
  282    HA   ILE  38           HA       ILE  38   0.067  12.375   1.982
  283    HB   ILE  38           HB       ILE  38   1.916  10.383   0.641
  284   1HG1  ILE  38          HG12      ILE  38   0.971  13.045  -0.431
  285   2HG1  ILE  38          HG11      ILE  38   2.436  12.918   0.545
  286   1HG2  ILE  38          HG21      ILE  38  -0.910  11.288   0.087
  287   2HG2  ILE  38          HG23      ILE  38   0.127  10.752  -1.231
  288   3HG2  ILE  38          HG22      ILE  38  -0.253   9.650   0.088
  289   1HD1  ILE  38          HD13      ILE  38   3.338  11.257  -1.039
  290   2HD1  ILE  38          HD12      ILE  38   1.891  11.424  -2.029
  291   3HD1  ILE  38          HD11      ILE  38   2.989  12.794  -1.823
  292    H    LYS  39           HN       LYS  39   1.550  10.268   4.160
  293    HA   LYS  39           HA       LYS  39  -0.024   7.941   3.701
  294   1HB   LYS  39           HB2      LYS  39   0.695   7.069   5.745
  295   2HB   LYS  39           HB1      LYS  39   2.020   8.085   5.214
  296   1HG   LYS  39           HG2      LYS  39   1.545   9.755   6.826
  297   2HG   LYS  39           HG1      LYS  39  -0.074   9.148   7.140
  298   1HD   LYS  39           HD2      LYS  39   2.317   7.395   7.671
  299   2HD   LYS  39           HD1      LYS  39   1.845   8.620   8.842
  300   1HE   LYS  39           HE2      LYS  39  -0.143   7.548   9.373
  301   2HE   LYS  39           HE1      LYS  39  -0.291   6.792   7.789
  302   1HZ   LYS  39           HZ2      LYS  39   2.022   5.774   8.783
  303   2HZ   LYS  39           HZ1      LYS  39   1.009   5.831  10.144
  304   3HZ   LYS  39           HZ3      LYS  39   0.517   4.983   8.763
  305    HA   PRO  40           HA       PRO  40  -3.081   9.924   7.020
  306   1HB   PRO  40           HB2      PRO  40  -3.526  12.473   5.537
  307   2HB   PRO  40           HB1      PRO  40  -3.419  12.194   7.286
  308   1HG   PRO  40           HG2      PRO  40  -1.444  13.418   5.930
  309   2HG   PRO  40           HG1      PRO  40  -1.099  12.344   7.299
  310   1HD   PRO  40           HD2      PRO  40  -0.803  11.832   4.382
  311   2HD   PRO  40           HD1      PRO  40   0.208  11.233   5.714
  312    H    PHE  41           HN       PHE  41  -3.314  10.809   3.515
  313    HA   PHE  41           HA       PHE  41  -6.157  10.273   3.443
  314   1HB   PHE  41           HB2      PHE  41  -3.993  10.443   1.332
  315   2HB   PHE  41           HB1      PHE  41  -5.645   9.992   0.922
  316    HD1  PHE  41           HD2      PHE  41  -3.683  12.590   2.731
  317    HD2  PHE  41           HD1      PHE  41  -7.257  11.665   0.552
  318    HE1  PHE  41           HE2      PHE  41  -4.330  14.982   2.783
  319    HE2  PHE  41           HE1      PHE  41  -7.912  14.060   0.609
  320    HZ   PHE  41           HZ       PHE  41  -6.445  15.718   1.722
  321    H    PHE  42           HN       PHE  42  -3.279   8.349   2.642
  322    HA   PHE  42           HA       PHE  42  -4.646   5.975   1.834
  323   1HB   PHE  42           HB2      PHE  42  -2.265   6.354   1.392
  324   2HB   PHE  42           HB1      PHE  42  -1.914   6.357   3.121
  325    HD1  PHE  42           HD1      PHE  42  -3.150   4.254   0.315
  326    HD2  PHE  42           HD2      PHE  42  -1.626   4.309   4.331
  327    HE1  PHE  42           HE1      PHE  42  -2.952   1.792   0.274
  328    HE2  PHE  42           HE2      PHE  42  -1.423   1.834   4.279
  329    HZ   PHE  42           HZ       PHE  42  -2.092   0.579   2.250
  330    H    HIS  43           HN       HIS  43  -3.195   6.792   4.966
  331    HA   HIS  43           HA       HIS  43  -4.201   4.485   6.330
  332   1HB   HIS  43           HB2      HIS  43  -2.240   5.746   7.062
  333   2HB   HIS  43           HB1      HIS  43  -3.240   7.163   7.372
  334    HD1  HIS  43           HD1      HIS  43  -2.309   3.838   8.767
  335    HD2  HIS  43           HD2      HIS  43  -4.949   6.932   9.646
  336    HE1  HIS  43           HE1      HIS  43  -3.246   3.341  11.067
  337    H    SER  44           HN       SER  44  -5.401   7.843   6.138
  338    HA   SER  44           HA       SER  44  -7.534   7.593   7.997
  339   1HB   SER  44           HB2      SER  44  -7.423   9.298   5.500
  340   2HB   SER  44           HB1      SER  44  -8.574   9.496   6.818
  341    HG   SER  44           HG       SER  44  -7.067  10.736   7.608
  342    H    LEU  45           HN       LEU  45  -7.422   6.799   4.525
  343    HA   LEU  45           HA       LEU  45 -10.230   6.359   4.198
  344   1HB   LEU  45           HB2      LEU  45  -7.863   5.167   2.746
  345   2HB   LEU  45           HB1      LEU  45  -9.524   4.863   2.274
  346    HG   LEU  45           HG       LEU  45  -8.563   7.709   2.601
  347   1HD1  LEU  45          HD11      LEU  45  -6.951   6.579   1.083
  348   2HD1  LEU  45          HD13      LEU  45  -8.297   6.024   0.088
  349   3HD1  LEU  45          HD12      LEU  45  -7.950   7.746   0.217
  350   1HD2  LEU  45          HD23      LEU  45 -10.724   6.317   0.985
  351   2HD2  LEU  45          HD22      LEU  45 -10.934   7.497   2.277
  352   3HD2  LEU  45          HD21      LEU  45 -10.270   8.004   0.726
  353    H    SER  46           HN       SER  46  -7.812   4.381   5.769
  354    HA   SER  46           HA       SER  46  -8.878   1.808   5.440
  355   1HB   SER  46           HB2      SER  46  -7.742   2.984   8.004
  356   2HB   SER  46           HB1      SER  46  -7.924   1.269   7.659
  357    HG   SER  46           HG       SER  46  -5.851   2.659   7.121
  358    H    GLU  47           HN       GLU  47  -9.975   4.389   7.599
  359    HA   GLU  47           HA       GLU  47 -12.135   2.729   8.698
  360   1HB   GLU  47           HB2      GLU  47 -11.440   5.678   8.946
  361   2HB   GLU  47           HB1      GLU  47 -12.805   4.930   9.779
  362   1HG   GLU  47           HG2      GLU  47  -9.922   4.042  10.042
  363   2HG   GLU  47           HG1      GLU  47 -10.754   5.072  11.201
  364    H    LYS  48           HN       LYS  48 -11.659   4.710   5.912
  365    HA   LYS  48           HA       LYS  48 -14.491   5.402   5.604
  366   1HB   LYS  48           HB2      LYS  48 -12.633   6.779   4.576
  367   2HB   LYS  48           HB1      LYS  48 -12.333   5.439   3.468
  368   1HG   LYS  48           HG2      LYS  48 -14.743   5.554   2.769
  369   2HG   LYS  48           HG1      LYS  48 -14.915   6.997   3.764
  370   1HD   LYS  48           HD2      LYS  48 -13.180   8.128   2.444
  371   2HD   LYS  48           HD1      LYS  48 -12.987   6.685   1.448
  372   1HE   LYS  48           HE2      LYS  48 -15.314   6.861   0.698
  373   2HE   LYS  48           HE1      LYS  48 -15.562   8.257   1.747
  374   1HZ   LYS  48           HZ1      LYS  48 -13.563   9.211   0.472
  375   2HZ   LYS  48           HZ3      LYS  48 -13.937   8.040  -0.694
  376   3HZ   LYS  48           HZ2      LYS  48 -15.090   9.216  -0.273
  377    H    TYR  49           HN       TYR  49 -12.223   2.969   4.505
  378    HA   TYR  49           HA       TYR  49 -14.536   1.324   3.495
  379   1HB   TYR  49           HB2      TYR  49 -11.699   1.417   2.415
  380   2HB   TYR  49           HB1      TYR  49 -12.943   0.282   1.899
  381    HD1  TYR  49           HD2      TYR  49 -15.185   1.307   1.052
  382    HD2  TYR  49           HD1      TYR  49 -11.508   3.510   1.330
  383    HE1  TYR  49           HE2      TYR  49 -16.052   2.959  -0.579
  384    HE2  TYR  49           HE1      TYR  49 -12.376   5.167  -0.296
  385    HH   TYR  49           HH       TYR  49 -14.557   5.960  -1.149
  386    H    SER  50           HN       SER  50 -14.340   0.892   5.920
  387    HA   SER  50           HA       SER  50 -12.150  -0.593   6.994
  388   1HB   SER  50           HB2      SER  50 -13.663  -1.082   8.814
  389   2HB   SER  50           HB1      SER  50 -14.002   0.556   8.286
  390    HG   SER  50           HG       SER  50 -15.487  -0.946   6.785
  391    H    ASN  51           HN       ASN  51 -14.427  -1.362   4.637
  392    HA   ASN  51           HA       ASN  51 -14.435  -4.266   5.184
  393   1HB   ASN  51           HB2      ASN  51 -16.442  -3.020   4.240
  394   2HB   ASN  51           HB1      ASN  51 -15.511  -2.817   2.757
  395   1HD2  ASN  51          HD22      ASN  51 -16.239  -6.059   1.604
  396   2HD2  ASN  51          HD21      ASN  51 -15.672  -4.498   1.254
  397    H    VAL  52           HN       VAL  52 -12.228  -2.216   4.125
  398    HA   VAL  52           HA       VAL  52 -11.056  -4.128   2.156
  399    HB   VAL  52           HB       VAL  52 -11.070  -1.095   2.126
  400   1HG1  VAL  52          HG12      VAL  52  -9.158  -3.049   0.892
  401   2HG1  VAL  52          HG11      VAL  52  -9.633  -1.644  -0.064
  402   3HG1  VAL  52          HG13      VAL  52  -8.863  -1.429   1.506
  403   1HG2  VAL  52          HG22      VAL  52 -11.991  -3.246   0.190
  404   2HG2  VAL  52          HG21      VAL  52 -13.002  -2.093   1.058
  405   3HG2  VAL  52          HG23      VAL  52 -11.921  -1.532  -0.219
  406    H    ILE  53           HN       ILE  53  -8.839  -4.549   2.512
  407    HA   ILE  53           HA       ILE  53  -7.828  -3.632   5.178
  408    HB   ILE  53           HB       ILE  53  -6.744  -5.800   3.362
  409   1HG1  ILE  53          HG12      ILE  53  -9.011  -6.421   3.943
  410   2HG1  ILE  53          HG11      ILE  53  -7.915  -7.358   4.954
  411   1HG2  ILE  53          HG22      ILE  53  -5.264  -4.811   5.197
  412   2HG2  ILE  53          HG21      ILE  53  -6.414  -5.489   6.350
  413   3HG2  ILE  53          HG23      ILE  53  -5.525  -6.551   5.265
  414   1HD1  ILE  53          HD13      ILE  53  -8.220  -5.437   6.687
  415   2HD1  ILE  53          HD12      ILE  53  -9.636  -5.010   5.730
  416   3HD1  ILE  53          HD11      ILE  53  -9.530  -6.602   6.482
  417    H    PHE  54           HN       PHE  54  -6.373  -1.984   5.190
  418    HA   PHE  54           HA       PHE  54  -4.794  -1.421   2.710
  419   1HB   PHE  54           HB2      PHE  54  -5.361   0.222   5.198
  420   2HB   PHE  54           HB1      PHE  54  -4.319   0.760   3.880
  421    HD1  PHE  54           HD1      PHE  54  -7.787  -0.444   4.616
  422    HD2  PHE  54           HD2      PHE  54  -5.263   1.819   1.976
  423    HE1  PHE  54           HE1      PHE  54  -9.793   0.394   3.409
  424    HE2  PHE  54           HE2      PHE  54  -7.267   2.646   0.775
  425    HZ   PHE  54           HZ       PHE  54  -9.527   1.932   1.484
  426    H    LEU  55           HN       LEU  55  -2.613  -1.917   2.683
  427    HA   LEU  55           HA       LEU  55  -1.268  -2.602   5.280
  428   1HB   LEU  55           HB2      LEU  55  -0.784  -3.600   2.462
  429   2HB   LEU  55           HB1      LEU  55   0.448  -3.764   3.711
  430    HG   LEU  55           HG       LEU  55  -0.865  -5.256   4.973
  431   1HD1  LEU  55          HD11      LEU  55  -3.223  -4.246   3.379
  432   2HD1  LEU  55          HD13      LEU  55  -3.295  -5.726   4.328
  433   3HD1  LEU  55          HD12      LEU  55  -2.976  -4.188   5.128
  434   1HD2  LEU  55          HD22      LEU  55  -1.457  -5.810   2.047
  435   2HD2  LEU  55          HD21      LEU  55  -0.018  -6.311   2.937
  436   3HD2  LEU  55          HD23      LEU  55  -1.592  -6.995   3.339
  437    H    GLU  56           HN       GLU  56   0.626  -1.581   5.816
  438    HA   GLU  56           HA       GLU  56   1.577   0.575   3.950
  439   1HB   GLU  56           HB2      GLU  56   0.715   1.270   6.261
  440   2HB   GLU  56           HB1      GLU  56   2.089   0.398   6.934
  441   1HG   GLU  56           HG2      GLU  56   3.619   1.797   5.549
  442   2HG   GLU  56           HG1      GLU  56   2.222   2.715   4.982
  443    H    VAL  57           HN       VAL  57   3.672   0.312   3.191
  444    HA   VAL  57           HA       VAL  57   5.384  -1.761   4.541
  445    HB   VAL  57           HB       VAL  57   5.058  -1.336   1.557
  446   1HG1  VAL  57          HG12      VAL  57   6.588  -3.396   3.173
  447   2HG1  VAL  57          HG11      VAL  57   6.414  -3.393   1.418
  448   3HG1  VAL  57          HG13      VAL  57   7.302  -2.100   2.212
  449   1HG2  VAL  57          HG21      VAL  57   4.069  -3.545   3.391
  450   2HG2  VAL  57          HG23      VAL  57   3.058  -2.358   2.565
  451   3HG2  VAL  57          HG22      VAL  57   3.946  -3.561   1.634
  452    H    ASP  58           HN       ASP  58   7.402  -1.062   4.996
  453    HA   ASP  58           HA       ASP  58   8.285   1.600   4.019
  454   1HB   ASP  58           HB2      ASP  58   8.419   0.890   6.473
  455   2HB   ASP  58           HB1      ASP  58   9.671  -0.252   5.967
  456    H    VAL  59           HN       VAL  59   9.594   1.647   2.220
  457    HA   VAL  59           HA       VAL  59  10.686  -0.797   1.113
  458    HB   VAL  59           HB       VAL  59  11.909   0.746  -0.422
  459   1HG1  VAL  59          HG13      VAL  59   8.981   1.249   0.146
  460   2HG1  VAL  59          HG12      VAL  59   9.802   1.932  -1.259
  461   3HG1  VAL  59          HG11      VAL  59   9.677   0.186  -1.072
  462   1HG2  VAL  59          HG23      VAL  59  10.824   2.804   1.511
  463   2HG2  VAL  59          HG22      VAL  59  12.484   2.599   0.954
  464   3HG2  VAL  59          HG21      VAL  59  11.254   3.225  -0.144
  465    H    ASP  60           HN       ASP  60  11.712   1.439   3.549
  466    HA   ASP  60           HA       ASP  60  14.559   0.630   3.337
  467   1HB   ASP  60           HB2      ASP  60  13.014   2.665   4.915
  468   2HB   ASP  60           HB1      ASP  60  14.652   2.242   5.387
  469    H    ASP  61           HN       ASP  61  11.850   0.191   5.665
  470    HA   ASP  61           HA       ASP  61  13.643  -1.583   7.291
  471   1HB   ASP  61           HB2      ASP  61  10.815  -0.613   7.854
  472   2HB   ASP  61           HB1      ASP  61  11.775  -1.632   8.920
  473    H    ALA  62           HN       ALA  62  11.292  -1.643   4.858
  474    HA   ALA  62           HA       ALA  62  10.914  -4.592   5.200
  475   1HB   ALA  62           HB2      ALA  62   8.887  -2.813   5.517
  476   2HB   ALA  62           HB1      ALA  62   8.803  -3.031   3.769
  477   3HB   ALA  62           HB3      ALA  62   8.637  -4.425   4.843
  478    H    GLN  63           HN       GLN  63  12.965  -3.307   3.824
  479    HA   GLN  63           HA       GLN  63  12.520  -2.833   1.073
  480   1HB   GLN  63           HB2      GLN  63  14.924  -3.144   0.823
  481   2HB   GLN  63           HB1      GLN  63  14.618  -2.296   2.338
  482   1HG   GLN  63           HG2      GLN  63  14.681  -4.533   3.509
  483   2HG   GLN  63           HG1      GLN  63  15.260  -5.230   1.993
  484   1HE2  GLN  63          HE22      GLN  63  18.553  -4.414   2.926
  485   2HE2  GLN  63          HE21      GLN  63  17.474  -5.584   2.341
  486    H    ASP  64           HN       ASP  64  12.646  -5.832   2.849
  487    HA   ASP  64           HA       ASP  64  13.323  -7.556   0.672
  488   1HB   ASP  64           HB2      ASP  64  12.133  -9.306   2.089
  489   2HB   ASP  64           HB1      ASP  64  13.409  -8.421   2.916
  490    H    VAL  65           HN       VAL  65  10.226  -6.257   1.840
  491    HA   VAL  65           HA       VAL  65   8.606  -7.766   0.009
  492    HB   VAL  65           HB       VAL  65   7.973  -5.043   1.162
  493   1HG1  VAL  65          HG13      VAL  65   6.448  -6.050  -0.572
  494   2HG1  VAL  65          HG12      VAL  65   6.153  -7.379   0.550
  495   3HG1  VAL  65          HG11      VAL  65   5.684  -5.735   0.987
  496   1HG2  VAL  65          HG23      VAL  65   8.050  -7.741   2.476
  497   2HG2  VAL  65          HG22      VAL  65   8.549  -6.177   3.114
  498   3HG2  VAL  65          HG21      VAL  65   6.838  -6.567   2.986
  499    H    ALA  66           HN       ALA  66   9.917  -4.456  -0.074
  500    HA   ALA  66           HA       ALA  66   8.773  -3.820  -2.636
  501   1HB   ALA  66           HB2      ALA  66   9.665  -2.257  -0.729
  502   2HB   ALA  66           HB1      ALA  66  11.214  -2.437  -1.552
  503   3HB   ALA  66           HB3      ALA  66   9.832  -1.750  -2.409
  504    H    SER  67           HN       SER  67  11.941  -5.066  -1.618
  505    HA   SER  67           HA       SER  67  13.264  -4.751  -4.114
  506   1HB   SER  67           HB2      SER  67  14.796  -6.511  -3.332
  507   2HB   SER  67           HB1      SER  67  14.449  -5.368  -2.040
  508    HG   SER  67           HG       SER  67  14.218  -7.454  -1.254
  509    H    GLU  68           HN       GLU  68  11.185  -7.378  -2.925
  510    HA   GLU  68           HA       GLU  68  11.586  -9.134  -5.148
  511   1HB   GLU  68           HB2      GLU  68  10.470  -9.719  -2.962
  512   2HB   GLU  68           HB1      GLU  68   9.048  -8.833  -3.519
  513   1HG   GLU  68           HG2      GLU  68   8.687 -11.143  -4.060
  514   2HG   GLU  68           HG1      GLU  68   9.062 -10.317  -5.574
  515    H    ALA  69           HN       ALA  69   9.384  -6.413  -4.616
  516    HA   ALA  69           HA       ALA  69   8.048  -6.837  -7.194
  517   1HB   ALA  69           HB3      ALA  69   6.945  -5.874  -5.088
  518   2HB   ALA  69           HB2      ALA  69   7.826  -4.387  -5.442
  519   3HB   ALA  69           HB1      ALA  69   6.648  -5.012  -6.596
  520    H    GLU  70           HN       GLU  70  11.021  -5.647  -6.417
  521    HA   GLU  70           HA       GLU  70  12.516  -4.187  -7.501
  522   1HB   GLU  70           HB2      GLU  70  10.648  -4.697  -9.834
  523   2HB   GLU  70           HB1      GLU  70  12.282  -4.049  -9.945
  524   1HG   GLU  70           HG2      GLU  70  11.606  -6.763  -8.795
  525   2HG   GLU  70           HG1      GLU  70  12.135  -6.483 -10.452
  526    H    VAL  71           HN       VAL  71  10.717  -2.723  -5.999
  527    HA   VAL  71           HA       VAL  71   9.167  -0.884  -7.553
  528    HB   VAL  71           HB       VAL  71  10.475  -0.330  -4.870
  529   1HG1  VAL  71          HG11      VAL  71   8.126   0.837  -6.393
  530   2HG1  VAL  71          HG13      VAL  71   8.380   1.120  -4.669
  531   3HG1  VAL  71          HG12      VAL  71   9.580   1.666  -5.844
  532   1HG2  VAL  71          HG21      VAL  71   7.914  -1.795  -5.602
  533   2HG2  VAL  71          HG23      VAL  71   9.237  -2.369  -4.591
  534   3HG2  VAL  71          HG22      VAL  71   8.174  -1.091  -4.006
  535    H    LYS  72           HN       LYS  72   9.775   0.930  -8.647
  536    HA   LYS  72           HA       LYS  72  12.682   1.575  -8.699
  537   1HB   LYS  72           HB2      LYS  72  10.489   2.138 -10.703
  538   2HB   LYS  72           HB1      LYS  72  12.187   2.553 -10.917
  539   1HG   LYS  72           HG2      LYS  72  11.333  -0.304 -10.343
  540   2HG   LYS  72           HG1      LYS  72  11.344   0.331 -11.987
  541   1HD   LYS  72           HD2      LYS  72  13.782   1.027 -11.542
  542   2HD   LYS  72           HD1      LYS  72  13.689   0.014 -10.101
  543   1HE   LYS  72           HE2      LYS  72  13.077  -1.925 -11.503
  544   2HE   LYS  72           HE1      LYS  72  13.168  -0.907 -12.944
  545   1HZ   LYS  72           HZ2      LYS  72  15.512  -0.368 -12.015
  546   2HZ   LYS  72           HZ1      LYS  72  15.329  -1.842 -11.192
  547   3HZ   LYS  72           HZ3      LYS  72  15.261  -1.804 -12.886
  548    H    ALA  73           HN       ALA  73   9.684   2.783  -7.610
  549    HA   ALA  73           HA       ALA  73  10.967   5.268  -6.771
  550   1HB   ALA  73           HB1      ALA  73   9.267   5.180  -9.181
  551   2HB   ALA  73           HB3      ALA  73   8.794   6.428  -8.030
  552   3HB   ALA  73           HB2      ALA  73  10.432   6.406  -8.684
  553    H    THR  74           HN       THR  74   9.642   6.479  -5.240
  554    HA   THR  74           HA       THR  74   7.162   5.078  -4.305
  555    HB   THR  74           HB       THR  74   7.845   5.353  -1.992
  556    HG1  THR  74           HG1      THR  74   9.500   7.173  -3.123
  557   1HG2  THR  74          HG21      THR  74  10.043   4.266  -3.726
  558   2HG2  THR  74          HG23      THR  74  10.064   4.147  -1.969
  559   3HG2  THR  74          HG22      THR  74   8.777   3.372  -2.893
  560    HA   PRO  75           HA       PRO  75   5.733   5.707  -2.392
  561   1HB   PRO  75           HB2      PRO  75   3.165   6.722  -2.535
  562   2HB   PRO  75           HB1      PRO  75   4.344   7.160  -1.291
  563   1HG   PRO  75           HG2      PRO  75   3.438   8.728  -3.652
  564   2HG   PRO  75           HG1      PRO  75   4.045   9.293  -2.089
  565   1HD   PRO  75           HD2      PRO  75   5.513   9.237  -4.497
  566   2HD   PRO  75           HD1      PRO  75   6.211   9.412  -2.863
  567    H    THR  76           HN       THR  76   4.764   3.835  -3.130
  568    HA   THR  76           HA       THR  76   3.453   3.915  -5.821
  569    HB   THR  76           HB       THR  76   5.355   1.754  -4.859
  570    HG1  THR  76           HG1      THR  76   6.416   3.652  -5.508
  571   1HG2  THR  76          HG22      THR  76   3.706   2.160  -7.357
  572   2HG2  THR  76          HG21      THR  76   5.059   1.029  -7.284
  573   3HG2  THR  76          HG23      THR  76   3.653   0.790  -6.245
  574    H    PHE  77           HN       PHE  77   1.508   2.966  -5.788
  575    HA   PHE  77           HA       PHE  77   0.724   1.409  -3.357
  576   1HB   PHE  77           HB2      PHE  77  -0.963   2.819  -5.441
  577   2HB   PHE  77           HB1      PHE  77  -1.565   2.043  -3.973
  578    HD1  PHE  77           HD1      PHE  77  -1.003   2.980  -1.725
  579    HD2  PHE  77           HD2      PHE  77   0.185   4.936  -5.371
  580    HE1  PHE  77           HE1      PHE  77  -0.498   5.050  -0.455
  581    HE2  PHE  77           HE2      PHE  77   0.683   7.005  -4.094
  582    HZ   PHE  77           HZ       PHE  77   0.345   7.065  -1.636
  583    H    GLN  78           HN       GLN  78   0.261  -0.750  -3.601
  584    HA   GLN  78           HA       GLN  78  -0.230  -1.781  -6.381
  585   1HB   GLN  78           HB2      GLN  78   1.330  -3.057  -4.126
  586   2HB   GLN  78           HB1      GLN  78   0.796  -3.936  -5.555
  587   1HG   GLN  78           HG2      GLN  78   2.013  -2.232  -6.964
  588   2HG   GLN  78           HG1      GLN  78   2.685  -1.561  -5.478
  589   1HE2  GLN  78          HE22      GLN  78   5.354  -3.869  -6.048
  590   2HE2  GLN  78          HE21      GLN  78   4.901  -2.233  -6.086
  591    H    PHE  79           HN       PHE  79  -1.916  -3.124  -6.625
  592    HA   PHE  79           HA       PHE  79  -3.679  -3.550  -4.243
  593   1HB   PHE  79           HB2      PHE  79  -4.251  -3.519  -7.216
  594   2HB   PHE  79           HB1      PHE  79  -5.451  -3.870  -5.966
  595    HD1  PHE  79           HD2      PHE  79  -3.054  -1.340  -7.201
  596    HD2  PHE  79           HD1      PHE  79  -6.405  -2.121  -4.656
  597    HE1  PHE  79           HE2      PHE  79  -3.301   1.080  -6.794
  598    HE2  PHE  79           HE1      PHE  79  -6.665   0.305  -4.236
  599    HZ   PHE  79           HZ       PHE  79  -5.111   1.912  -5.310
  600    H    PHE  80           HN       PHE  80  -4.251  -5.554  -3.635
  601    HA   PHE  80           HA       PHE  80  -3.469  -7.874  -5.336
  602   1HB   PHE  80           HB2      PHE  80  -2.977  -7.456  -2.389
  603   2HB   PHE  80           HB1      PHE  80  -2.921  -9.047  -3.143
  604    HD1  PHE  80           HD2      PHE  80  -1.305  -5.698  -2.989
  605    HD2  PHE  80           HD1      PHE  80  -1.123  -9.676  -4.630
  606    HE1  PHE  80           HE2      PHE  80   1.045  -5.321  -3.675
  607    HE2  PHE  80           HE1      PHE  80   1.229  -9.285  -5.305
  608    HZ   PHE  80           HZ       PHE  80   2.311  -7.108  -4.827
  609    H    LYS  81           HN       LYS  81  -4.891  -9.703  -5.109
  610    HA   LYS  81           HA       LYS  81  -7.254  -9.387  -3.347
  611   1HB   LYS  81           HB2      LYS  81  -7.689  -8.305  -5.651
  612   2HB   LYS  81           HB1      LYS  81  -7.563  -9.927  -6.316
  613   1HG   LYS  81           HG2      LYS  81  -9.876  -9.662  -5.958
  614   2HG   LYS  81           HG1      LYS  81  -9.336 -10.589  -4.566
  615   1HD   LYS  81           HD2      LYS  81  -9.456  -8.718  -3.115
  616   2HD   LYS  81           HD1      LYS  81  -9.499  -7.571  -4.451
  617   1HE   LYS  81           HE2      LYS  81 -11.686  -9.605  -3.935
  618   2HE   LYS  81           HE1      LYS  81 -11.734  -7.955  -3.316
  619   1HZ   LYS  81           HZ2      LYS  81 -11.413  -7.228  -5.678
  620   2HZ   LYS  81           HZ1      LYS  81 -11.700  -8.836  -6.143
  621   3HZ   LYS  81           HZ3      LYS  81 -12.912  -7.960  -5.341
  622    H    LYS  82           HN       LYS  82  -7.697 -11.402  -2.489
  623    HA   LYS  82           HA       LYS  82  -7.444 -13.706  -2.111
  624   1HB   LYS  82           HB2      LYS  82  -7.694 -13.721  -5.137
  625   2HB   LYS  82           HB1      LYS  82  -7.780 -15.157  -4.117
  626   1HG   LYS  82           HG2      LYS  82  -9.658 -13.947  -2.847
  627   2HG   LYS  82           HG1      LYS  82  -9.702 -12.820  -4.197
  628   1HD   LYS  82           HD2      LYS  82  -9.966 -14.869  -5.709
  629   2HD   LYS  82           HD1      LYS  82 -10.263 -15.788  -4.232
  630   1HE   LYS  82           HE2      LYS  82 -12.158 -14.355  -3.667
  631   2HE   LYS  82           HE1      LYS  82 -11.832 -13.325  -5.061
  632   1HZ   LYS  82           HZ1      LYS  82 -12.095 -16.123  -5.698
  633   2HZ   LYS  82           HZ3      LYS  82 -13.507 -15.439  -5.057
  634   3HZ   LYS  82           HZ2      LYS  82 -12.795 -14.768  -6.447
  635    H    GLY  83           HN       GLY  83  -5.032 -12.082  -2.434
  636   1HA   GLY  83           HA2      GLY  83  -2.746 -12.580  -2.320
  637   2HA   GLY  83           HA1      GLY  83  -3.139 -14.261  -2.656
  638    H    GLN  84           HN       GLN  84  -4.350 -11.849  -4.846
  639    HA   GLN  84           HA       GLN  84  -2.169 -12.506  -6.791
  640   1HB   GLN  84           HB2      GLN  84  -5.151 -12.380  -7.281
  641   2HB   GLN  84           HB1      GLN  84  -3.948 -12.417  -8.569
  642   1HG   GLN  84           HG2      GLN  84  -3.057 -14.544  -7.638
  643   2HG   GLN  84           HG1      GLN  84  -4.345 -14.527  -6.433
  644   1HE2  GLN  84          HE22      GLN  84  -6.825 -14.778  -9.272
  645   2HE2  GLN  84          HE21      GLN  84  -6.489 -13.575  -8.121
  646    H    LYS  85           HN       LYS  85  -1.462 -10.801  -8.078
  647    HA   LYS  85           HA       LYS  85  -2.098  -8.080  -7.184
  648   1HB   LYS  85           HB2      LYS  85   0.176  -8.793  -7.929
  649   2HB   LYS  85           HB1      LYS  85  -0.457  -9.042  -9.556
  650   1HG   LYS  85           HG2      LYS  85  -1.138  -6.630  -9.602
  651   2HG   LYS  85           HG1      LYS  85  -0.343  -6.422  -8.037
  652   1HD   LYS  85           HD2      LYS  85   1.773  -7.283  -9.046
  653   2HD   LYS  85           HD1      LYS  85   0.961  -7.349 -10.609
  654   1HE   LYS  85           HE2      LYS  85   1.181  -4.814  -8.972
  655   2HE   LYS  85           HE1      LYS  85   2.342  -5.265 -10.219
  656   1HZ   LYS  85           HZ3      LYS  85  -0.121  -5.603 -11.375
  657   2HZ   LYS  85           HZ2      LYS  85  -0.256  -4.147 -10.510
  658   3HZ   LYS  85           HZ1      LYS  85   0.971  -4.337 -11.669
  659    H    VAL  86           HN       VAL  86  -3.678  -6.807  -8.024
  660    HA   VAL  86           HA       VAL  86  -4.815  -7.496 -10.713
  661    HB   VAL  86           HB       VAL  86  -6.963  -6.506  -9.833
  662   1HG1  VAL  86          HG12      VAL  86  -6.374  -9.013  -9.850
  663   2HG1  VAL  86          HG11      VAL  86  -6.075  -8.834  -8.122
  664   3HG1  VAL  86          HG13      VAL  86  -7.679  -8.505  -8.778
  665   1HG2  VAL  86          HG23      VAL  86  -5.454  -6.686  -7.211
  666   2HG2  VAL  86          HG22      VAL  86  -6.022  -5.209  -7.988
  667   3HG2  VAL  86          HG21      VAL  86  -7.184  -6.381  -7.362
  668    H    GLY  87           HN       GLY  87  -2.938  -5.190  -9.173
  669   1HA   GLY  87           HA2      GLY  87  -3.246  -3.300 -11.300
  670   2HA   GLY  87           HA1      GLY  87  -4.205  -2.746  -9.937
  671    H    GLU  88           HN       GLU  88  -2.064  -1.236 -10.891
  672    HA   GLU  88           HA       GLU  88  -0.490  -0.886  -8.485
  673   1HB   GLU  88           HB2      GLU  88   1.050  -2.503  -9.075
  674   2HB   GLU  88           HB1      GLU  88   0.635  -2.423 -10.778
  675   1HG   GLU  88           HG2      GLU  88   2.948  -1.675 -10.339
  676   2HG   GLU  88           HG1      GLU  88   1.982  -0.377 -11.021
  677    H    PHE  89           HN       PHE  89   0.629   1.144  -8.520
  678    HA   PHE  89           HA       PHE  89   0.993   2.636 -10.934
  679   1HB   PHE  89           HB2      PHE  89  -0.712   4.242 -10.874
  680   2HB   PHE  89           HB1      PHE  89  -1.542   2.725 -10.591
  681    HD1  PHE  89           HD1      PHE  89  -0.110   5.712  -8.862
  682    HD2  PHE  89           HD2      PHE  89  -2.825   2.394  -8.631
  683    HE1  PHE  89           HE1      PHE  89  -1.111   6.678  -6.809
  684    HE2  PHE  89           HE2      PHE  89  -3.821   3.359  -6.569
  685    HZ   PHE  89           HZ       PHE  89  -2.976   5.509  -5.672
  686    H    SER  90           HN       SER  90   1.925   4.768 -10.529
  687    HA   SER  90           HA       SER  90   2.965   5.086  -7.735
  688   1HB   SER  90           HB2      SER  90   5.083   5.843  -8.725
  689   2HB   SER  90           HB1      SER  90   4.714   4.192  -9.231
  690    HG   SER  90           HG       SER  90   5.347   5.579 -10.977
  691    H    GLY  91           HN       GLY  91   3.730   7.307  -7.306
  692   1HA   GLY  91           HA2      GLY  91   3.748   9.666  -8.088
  693   2HA   GLY  91           HA1      GLY  91   2.215   9.361  -8.890
  694    H    ALA  92           HN       ALA  92   2.972  11.296  -6.724
  695    HA   ALA  92           HA       ALA  92   1.587  10.370  -4.330
  696   1HB   ALA  92           HB1      ALA  92   2.785  12.969  -5.265
  697   2HB   ALA  92           HB3      ALA  92   1.794  12.925  -3.809
  698   3HB   ALA  92           HB2      ALA  92   3.267  11.952  -3.910
  699    H    ASN  93           HN       ASN  93  -0.345   9.776  -5.831
  700    HA   ASN  93           HA       ASN  93  -2.226  12.111  -6.054
  701   1HB   ASN  93           HB2      ASN  93  -1.511  10.959  -8.232
  702   2HB   ASN  93           HB1      ASN  93  -2.355   9.529  -7.641
  703   1HD2  ASN  93          HD22      ASN  93  -5.205  12.321  -7.640
  704   2HD2  ASN  93          HD21      ASN  93  -4.025  12.182  -6.428
  705    H    LYS  94           HN       LYS  94  -3.029  11.815  -3.918
  706    HA   LYS  94           HA       LYS  94  -3.831   9.286  -2.808
  707   1HB   LYS  94           HB2      LYS  94  -5.109  10.738  -1.188
  708   2HB   LYS  94           HB1      LYS  94  -3.392  11.092  -1.313
  709   1HG   LYS  94           HG2      LYS  94  -5.061  12.631  -3.221
  710   2HG   LYS  94           HG1      LYS  94  -5.436  12.978  -1.538
  711   1HD   LYS  94           HD2      LYS  94  -2.582  12.965  -2.522
  712   2HD   LYS  94           HD1      LYS  94  -3.600  14.387  -2.694
  713   1HE   LYS  94           HE2      LYS  94  -3.167  13.001  -0.037
  714   2HE   LYS  94           HE1      LYS  94  -2.174  14.344  -0.604
  715   1HZ   LYS  94           HZ3      LYS  94  -4.334  15.560  -0.943
  716   2HZ   LYS  94           HZ2      LYS  94  -5.071  14.339  -0.023
  717   3HZ   LYS  94           HZ1      LYS  94  -3.857  15.309   0.664
  718    H    GLU  95           HN       GLU  95  -5.589  11.630  -4.803
  719    HA   GLU  95           HA       GLU  95  -8.203  10.543  -4.278
  720   1HB   GLU  95           HB2      GLU  95  -7.188  11.993  -6.747
  721   2HB   GLU  95           HB1      GLU  95  -8.874  11.714  -6.338
  722   1HG   GLU  95           HG2      GLU  95  -8.600  13.867  -5.498
  723   2HG   GLU  95           HG1      GLU  95  -8.219  12.912  -4.066
  724    H    LYS  96           HN       LYS  96  -5.589   9.673  -6.437
  725    HA   LYS  96           HA       LYS  96  -6.999   8.004  -8.245
  726   1HB   LYS  96           HB2      LYS  96  -4.568   8.767  -8.312
  727   2HB   LYS  96           HB1      LYS  96  -4.222   7.484  -7.170
  728   1HG   LYS  96           HG2      LYS  96  -4.770   5.779  -8.694
  729   2HG   LYS  96           HG1      LYS  96  -5.670   6.874  -9.745
  730   1HD   LYS  96           HD2      LYS  96  -3.570   8.045 -10.316
  731   2HD   LYS  96           HD1      LYS  96  -2.674   6.922  -9.299
  732   1HE   LYS  96           HE2      LYS  96  -3.359   5.044 -10.700
  733   2HE   LYS  96           HE1      LYS  96  -4.372   6.110 -11.676
  734   1HZ   LYS  96           HZ2      LYS  96  -1.505   6.688 -11.336
  735   2HZ   LYS  96           HZ1      LYS  96  -2.011   5.541 -12.483
  736   3HZ   LYS  96           HZ3      LYS  96  -2.548   7.146 -12.596
  737    H    LEU  97           HN       LEU  97  -5.733   7.435  -4.998
  738    HA   LEU  97           HA       LEU  97  -6.038   4.613  -4.891
  739   1HB   LEU  97           HB2      LEU  97  -6.251   6.785  -2.794
  740   2HB   LEU  97           HB1      LEU  97  -6.452   5.093  -2.382
  741    HG   LEU  97           HG       LEU  97  -4.020   6.228  -3.771
  742   1HD1  LEU  97          HD12      LEU  97  -4.570   5.592  -0.866
  743   2HD1  LEU  97          HD11      LEU  97  -2.955   5.887  -1.511
  744   3HD1  LEU  97          HD13      LEU  97  -4.170   7.166  -1.546
  745   1HD2  LEU  97          HD21      LEU  97  -4.865   3.490  -2.838
  746   2HD2  LEU  97          HD23      LEU  97  -3.926   3.941  -4.254
  747   3HD2  LEU  97          HD22      LEU  97  -3.169   3.926  -2.671
  748    H    GLU  98           HN       GLU  98  -8.287   7.254  -4.349
  749    HA   GLU  98           HA       GLU  98 -10.463   5.699  -3.331
  750   1HB   GLU  98           HB2      GLU  98 -10.349   8.179  -3.228
  751   2HB   GLU  98           HB1      GLU  98 -10.615   8.245  -4.967
  752   1HG   GLU  98           HG2      GLU  98 -12.800   7.120  -4.681
  753   2HG   GLU  98           HG1      GLU  98 -12.536   7.053  -2.937
  754    H    ALA  99           HN       ALA  99  -9.679   6.638  -6.680
  755    HA   ALA  99           HA       ALA  99 -12.054   5.433  -7.776
  756   1HB   ALA  99           HB1      ALA  99 -10.749   7.164  -8.959
  757   2HB   ALA  99           HB3      ALA  99  -9.418   6.022  -9.147
  758   3HB   ALA  99           HB2      ALA  99 -10.961   5.720  -9.949
  759    H    THR 100           HN       THR 100  -8.716   4.207  -7.510
  760    HA   THR 100           HA       THR 100  -9.222   1.824  -8.972
  761    HB   THR 100           HB       THR 100  -7.234   2.115  -6.704
  762    HG1  THR 100           HG1      THR 100  -6.370   2.529  -9.256
  763   1HG2  THR 100          HG22      THR 100  -7.443   0.386  -9.183
  764   2HG2  THR 100          HG21      THR 100  -5.951   0.561  -8.262
  765   3HG2  THR 100          HG23      THR 100  -7.376  -0.141  -7.502
  766    H    ILE 101           HN       ILE 101  -9.587   2.539  -5.509
  767    HA   ILE 101           HA       ILE 101 -10.208  -0.141  -4.654
  768    HB   ILE 101           HB       ILE 101 -10.991   2.589  -3.580
  769   1HG1  ILE 101          HG12      ILE 101  -9.124   0.574  -2.309
  770   2HG1  ILE 101          HG11      ILE 101  -8.540   1.651  -3.577
  771   1HG2  ILE 101          HG21      ILE 101 -11.549  -0.177  -2.466
  772   2HG2  ILE 101          HG23      ILE 101 -11.536   1.270  -1.456
  773   3HG2  ILE 101          HG22      ILE 101 -12.701   1.125  -2.771
  774   1HD1  ILE 101          HD11      ILE 101  -9.316   3.600  -2.256
  775   2HD1  ILE 101          HD13      ILE 101  -9.852   2.507  -0.980
  776   3HD1  ILE 101          HD12      ILE 101  -8.138   2.638  -1.370
  777    H    ASN 102           HN       ASN 102 -12.282   2.597  -5.612
  778    HA   ASN 102           HA       ASN 102 -14.786   1.240  -5.438
  779   1HB   ASN 102           HB2      ASN 102 -14.557   3.716  -5.741
  780   2HB   ASN 102           HB1      ASN 102 -13.952   3.438  -7.373
  781   1HD2  ASN 102          HD22      ASN 102 -17.917   3.519  -6.734
  782   2HD2  ASN 102          HD21      ASN 102 -16.785   3.941  -5.540
  783    H    GLU 103           HN       GLU 103 -12.341   1.460  -7.945
  784    HA   GLU 103           HA       GLU 103 -13.817   0.151 -10.024
  785   1HB   GLU 103           HB2      GLU 103 -11.679   1.540 -10.219
  786   2HB   GLU 103           HB1      GLU 103 -10.820   0.130  -9.615
  787   1HG   GLU 103           HG2      GLU 103 -10.691   0.019 -12.007
  788   2HG   GLU 103           HG1      GLU 103 -11.858  -1.204 -11.510
  789    H    LEU 104           HN       LEU 104 -11.626  -1.074  -7.472
  790    HA   LEU 104           HA       LEU 104 -12.148  -3.859  -8.418
  791   1HB   LEU 104           HB2      LEU 104 -10.193  -2.833  -6.362
  792   2HB   LEU 104           HB1      LEU 104 -10.314  -4.497  -6.921
  793    HG   LEU 104           HG       LEU 104  -9.670  -2.099  -8.658
  794   1HD1  LEU 104          HD13      LEU 104  -7.987  -4.193  -7.291
  795   2HD1  LEU 104          HD12      LEU 104  -7.425  -3.430  -8.778
  796   3HD1  LEU 104          HD11      LEU 104  -7.750  -2.448  -7.351
  797   1HD2  LEU 104          HD21      LEU 104 -10.085  -5.038  -9.212
  798   2HD2  LEU 104          HD23      LEU 104 -10.639  -3.643 -10.138
  799   3HD2  LEU 104          HD22      LEU 104  -8.947  -4.122 -10.200
  800    H    VAL 105           HN       VAL 105 -13.622  -1.788  -6.257
  801    HA   VAL 105           HA       VAL 105 -13.870  -3.539  -3.970
  802    HB   VAL 105           HB       VAL 105 -14.409  -1.045  -4.035
  803   1HG1  VAL 105          HG13      VAL 105 -15.950  -1.424  -6.105
  804   2HG1  VAL 105          HG12      VAL 105 -17.158  -1.901  -4.919
  805   3HG1  VAL 105          HG11      VAL 105 -16.467  -0.281  -4.867
  806   1HG2  VAL 105          HG21      VAL 105 -16.448  -2.962  -2.880
  807   2HG2  VAL 105          HG23      VAL 105 -14.942  -2.470  -2.112
  808   3HG2  VAL 105          HG22      VAL 105 -16.229  -1.290  -2.371
  809    HA   PRO  59           HA       PRO 106  14.732  14.503 -13.193
  810   1HB   PRO  59           HB2      PRO 106  16.827  13.355 -11.850
  811   2HB   PRO  59           HB1      PRO 106  16.935  13.890 -13.540
  812   1HG   PRO  59           HG2      PRO 106  17.905  15.248 -11.063
  813   2HG   PRO  59           HG1      PRO 106  18.668  15.133 -12.657
  814   1HD   PRO  59           HD2      PRO 106  17.300  17.368 -11.801
  815   2HD   PRO  59           HD1      PRO 106  17.465  16.919 -13.512
  816    H    ALA  60           HN       ALA 107  15.307  16.341 -10.293
  817    HA   ALA  60           HA       ALA 107  14.203  14.198  -8.558
  818   1HB   ALA  60           HB3      ALA 107  16.104  15.698  -7.807
  819   2HB   ALA  60           HB2      ALA 107  14.944  17.028  -7.775
  820   3HB   ALA  60           HB1      ALA 107  14.726  15.639  -6.711
  821    H    THR  61           HN       THR 108  12.038  14.024  -8.335
  822    HA   THR  61           HA       THR 108  10.332  16.484  -8.659
  823    HB   THR  61           HB       THR 108   9.495  13.596  -9.056
  824    HG1  THR  61           HG1      THR 108  10.871  14.022 -10.688
  825   1HG2  THR  61          HG21      THR 108   8.219  16.246  -9.797
  826   2HG2  THR  61          HG23      THR 108   7.555  14.649 -10.163
  827   3HG2  THR  61          HG22      THR 108   7.696  15.188  -8.491
  828    H    LEU  62           HN       LEU 109   9.197  17.070  -6.879
  829    HA   LEU  62           HA       LEU 109   9.553  15.753  -4.365
  830   1HB   LEU  62           HB2      LEU 109   7.511  17.782  -5.302
  831   2HB   LEU  62           HB1      LEU 109   7.674  17.273  -3.625
  832    HG   LEU  62           HG       LEU 109   9.957  18.436  -5.254
  833   1HD1  LEU  62          HD11      LEU 109   8.036  19.785  -3.332
  834   2HD1  LEU  62          HD13      LEU 109   9.533  20.517  -3.911
  835   3HD1  LEU  62          HD12      LEU 109   8.237  20.140  -5.047
  836   1HD2  LEU  62          HD23      LEU 109   9.586  17.612  -2.373
  837   2HD2  LEU  62          HD22      LEU 109  10.952  17.319  -3.445
  838   3HD2  LEU  62          HD21      LEU 109  10.701  18.920  -2.761
  839    H    LYS  63           HN       LYS 110   7.105  15.452  -6.862
  840    HA   LYS  63           HA       LYS 110   5.116  14.093  -5.337
  841   1HB   LYS  63           HB2      LYS 110   5.819  13.778  -8.268
  842   2HB   LYS  63           HB1      LYS 110   4.311  13.252  -7.523
  843   1HG   LYS  63           HG2      LYS 110   5.283  16.119  -7.433
  844   2HG   LYS  63           HG1      LYS 110   4.216  15.510  -8.696
  845   1HD   LYS  63           HD2      LYS 110   2.658  14.739  -6.798
  846   2HD   LYS  63           HD1      LYS 110   3.645  15.734  -5.728
  847   1HE   LYS  63           HE2      LYS 110   3.197  17.706  -7.110
  848   2HE   LYS  63           HE1      LYS 110   2.231  16.733  -8.213
  849   1HZ   LYS  63           HZ2      LYS 110   0.918  16.135  -6.086
  850   2HZ   LYS  63           HZ1      LYS 110   1.631  17.532  -5.432
  851   3HZ   LYS  63           HZ3      LYS 110   0.651  17.644  -6.815
  852    H    ILE  64           HN       ILE 111   8.160  13.020  -6.601
  853    HA   ILE  64           HA       ILE 111   7.588  10.230  -5.628
  854    HB   ILE  64           HB       ILE 111   9.118  11.118  -8.101
  855   1HG1  ILE  64          HG12      ILE 111   6.695  11.024  -8.432
  856   2HG1  ILE  64          HG11      ILE 111   7.468   9.701  -9.293
  857   1HG2  ILE  64          HG23      ILE 111   8.892   8.396  -6.804
  858   2HG2  ILE  64          HG22      ILE 111   9.415   8.635  -8.472
  859   3HG2  ILE  64          HG21      ILE 111  10.366   9.300  -7.143
  860   1HD1  ILE  64          HD12      ILE 111   6.985   8.414  -6.981
  861   2HD1  ILE  64          HD11      ILE 111   5.714   9.624  -6.878
  862   3HD1  ILE  64          HD13      ILE 111   5.773   8.526  -8.248
  863    H    CYS  65           HN       CYS 112   9.299   9.292  -4.438
  864    HA   CYS  65           HA       CYS 112  11.595  11.087  -3.811
  865   1HB   CYS  65           HB2      CYS 112  10.825   8.485  -2.443
  866   2HB   CYS  65           HB1      CYS 112  12.008   9.663  -1.888
  867    H    SER  66           HN       SER 113  13.582  10.575  -4.691
  868    HA   SER  66           HA       SER 113  13.712   8.329  -6.547
  869   1HB   SER  66           HB2      SER 113  15.839  10.297  -5.666
  870   2HB   SER  66           HB1      SER 113  16.018   9.126  -6.973
  871    HG   SER  66           HG       SER 113  14.717  10.272  -8.190
  872    H    TRP  67           HN       TRP 114  14.813   6.432  -6.330
  873    HA   TRP  67           HA       TRP 114  15.500   5.547  -3.645
  874   1HB   TRP  67           HB2      TRP 114  15.779   4.231  -6.364
  875   2HB   TRP  67           HB1      TRP 114  16.251   3.442  -4.856
  876    HD1  TRP  67           HD1      TRP 114  13.160   5.427  -6.044
  877    HE1  TRP  67           HE1      TRP 114  11.050   4.205  -5.224
  878    HE3  TRP  67           HE3      TRP 114  15.284   1.447  -3.660
  879    HZ2  TRP  67           HZ2      TRP 114  10.367   1.885  -3.713
  880    HZ3  TRP  67           HZ3      TRP 114  13.885  -0.245  -2.539
  881    HH2  TRP  67           HH2      TRP 114  11.424  -0.037  -2.576
  882    H    ASN  68           HN       ASN 115  17.156   7.245  -6.061
  883    HA   ASN  68           HA       ASN 115  19.792   6.313  -5.991
  884   1HB   ASN  68           HB2      ASN 115  18.726   9.153  -5.967
  885   2HB   ASN  68           HB1      ASN 115  20.431   8.767  -6.207
  886   1HD2  ASN  68          HD22      ASN 115  18.473   6.759  -9.075
  887   2HD2  ASN  68          HD21      ASN 115  18.458   6.296  -7.443
  888    H    VAL  69           HN       VAL 116  17.889   7.409  -3.379
  889    HA   VAL  69           HA       VAL 116  19.923   8.505  -1.672
  890    HB   VAL  69           HB       VAL 116  18.341   7.800   0.181
  891   1HG1  VAL  69          HG13      VAL 116  18.174   9.965  -1.134
  892   2HG1  VAL  69          HG12      VAL 116  16.948   9.177  -2.129
  893   3HG1  VAL  69          HG11      VAL 116  16.664   9.420  -0.405
  894   1HG2  VAL  69          HG21      VAL 116  17.510   5.779  -1.148
  895   2HG2  VAL  69          HG23      VAL 116  16.259   6.751  -0.372
  896   3HG2  VAL  69          HG22      VAL 116  16.557   6.919  -2.098
  897    H    ASP  70           HN       ASP 117  21.271   7.422  -0.131
  898    HA   ASP  70           HA       ASP 117  22.275   4.874  -0.883
  899   1HB   ASP  70           HB2      ASP 117  22.423   6.348   1.762
  900   2HB   ASP  70           HB1      ASP 117  23.311   4.861   1.425
  901    H    GLY  71           HN       GLY 118  19.884   5.785   1.578
  902   1HA   GLY  71           HA2      GLY 118  18.312   4.478   2.717
  903   2HA   GLY  71           HA1      GLY 118  18.446   3.337   1.379
   
  No H/Q in entry =         903
  Start of MODEL   15
    1   1H    MET   1           HT2      MET   1  -8.871  -2.171   9.504
    2   2H    MET   1           HT1      MET   1  -9.655  -2.046  11.006
    3   3H    MET   1           HT3      MET   1  -9.439  -0.663  10.047
    4    HA   MET   1           HA       MET   1  -7.701  -0.310  11.404
    5   1HB   MET   1           HB2      MET   1  -6.678  -2.009  12.756
    6   2HB   MET   1           HB1      MET   1  -8.411  -2.327  12.760
    7   1HG   MET   1           HG2      MET   1  -8.046  -3.980  10.903
    8   2HG   MET   1           HG1      MET   1  -6.309  -3.743  11.093
    9   1HE   MET   1           HE1      MET   1  -9.265  -5.675  11.941
   10   2HE   MET   1           HE3      MET   1  -9.193  -6.115  13.651
   11   3HE   MET   1           HE2      MET   1  -9.591  -4.466  13.177
   12    H    VAL   2           HN       VAL   2  -5.337  -0.376  11.117
   13    HA   VAL   2           HA       VAL   2  -4.610  -1.156   8.328
   14    HB   VAL   2           HB       VAL   2  -3.255   0.658  10.348
   15   1HG1  VAL   2          HG13      VAL   2  -2.564  -0.058   7.485
   16   2HG1  VAL   2          HG12      VAL   2  -1.896   1.342   8.325
   17   3HG1  VAL   2          HG11      VAL   2  -1.557  -0.286   8.917
   18   1HG2  VAL   2          HG23      VAL   2  -4.995   1.124   7.921
   19   2HG2  VAL   2          HG22      VAL   2  -5.235   1.723   9.563
   20   3HG2  VAL   2          HG21      VAL   2  -3.939   2.379   8.565
   21    H    LYS   3           HN       LYS   3  -2.481  -2.197   7.974
   22    HA   LYS   3           HA       LYS   3  -1.434  -3.701  10.349
   23   1HB   LYS   3           HB2      LYS   3  -2.894  -5.127   8.826
   24   2HB   LYS   3           HB1      LYS   3  -1.717  -4.836   7.547
   25   1HG   LYS   3           HG2      LYS   3  -0.982  -6.879   8.434
   26   2HG   LYS   3           HG1      LYS   3   0.029  -5.721   9.294
   27   1HD   LYS   3           HD2      LYS   3  -1.480  -5.805  11.232
   28   2HD   LYS   3           HD1      LYS   3  -2.571  -6.877  10.356
   29   1HE   LYS   3           HE2      LYS   3  -0.701  -8.535  10.175
   30   2HE   LYS   3           HE1      LYS   3   0.279  -7.482  11.197
   31   1HZ   LYS   3           HZ3      LYS   3  -2.355  -8.051  12.239
   32   2HZ   LYS   3           HZ2      LYS   3  -1.352  -9.417  12.111
   33   3HZ   LYS   3           HZ1      LYS   3  -0.850  -8.073  13.021
   34    H    GLN   4           HN       GLN   4   0.755  -3.476  10.553
   35    HA   GLN   4           HA       GLN   4   2.226  -2.156   8.322
   36   1HB   GLN   4           HB2      GLN   4   2.432  -1.206  10.620
   37   2HB   GLN   4           HB1      GLN   4   3.111  -2.736  11.166
   38   1HG   GLN   4           HG2      GLN   4   4.987  -2.508   9.625
   39   2HG   GLN   4           HG1      GLN   4   4.294  -1.033   8.951
   40   1HE2  GLN   4          HE22      GLN   4   6.431   0.592  11.300
   41   2HE2  GLN   4          HE21      GLN   4   6.230   0.180   9.663
   42    H    ILE   5           HN       ILE   5   3.443  -3.399   7.017
   43    HA   ILE   5           HA       ILE   5   4.111  -6.188   7.857
   44    HB   ILE   5           HB       ILE   5   4.402  -4.888   5.140
   45   1HG1  ILE   5          HG12      ILE   5   2.063  -4.744   5.737
   46   2HG1  ILE   5          HG11      ILE   5   2.250  -6.084   4.609
   47   1HG2  ILE   5          HG22      ILE   5   5.630  -7.077   5.791
   48   2HG2  ILE   5          HG21      ILE   5   4.029  -7.817   5.754
   49   3HG2  ILE   5          HG23      ILE   5   4.683  -7.057   4.307
   50   1HD1  ILE   5          HD13      ILE   5   2.499  -7.554   6.751
   51   2HD1  ILE   5          HD12      ILE   5   1.771  -6.179   7.582
   52   3HD1  ILE   5          HD11      ILE   5   0.887  -6.999   6.295
   53    H    GLU   6           HN       GLU   6   6.118  -6.301   8.800
   54    HA   GLU   6           HA       GLU   6   8.237  -4.391   7.914
   55   1HB   GLU   6           HB2      GLU   6   8.165  -6.310  10.259
   56   2HB   GLU   6           HB1      GLU   6   9.449  -5.149   9.917
   57   1HG   GLU   6           HG2      GLU   6   7.854  -3.292  10.153
   58   2HG   GLU   6           HG1      GLU   6   6.549  -4.441  10.468
   59    H    SER   7           HN       SER   7   7.142  -7.461   7.180
   60    HA   SER   7           HA       SER   7   9.721  -8.110   5.895
   61   1HB   SER   7           HB2      SER   7   9.782 -10.404   6.830
   62   2HB   SER   7           HB1      SER   7   9.962  -9.186   8.097
   63    HG   SER   7           HG       SER   7   8.294 -10.122   8.957
   64    H    LYS   8           HN       LYS   8   9.520  -9.767   4.273
   65    HA   LYS   8           HA       LYS   8   7.016  -9.722   2.864
   66   1HB   LYS   8           HB2      LYS   8   9.308 -10.114   1.829
   67   2HB   LYS   8           HB1      LYS   8   9.228 -11.744   2.502
   68   1HG   LYS   8           HG2      LYS   8   7.129 -12.159   1.281
   69   2HG   LYS   8           HG1      LYS   8   7.203 -10.532   0.608
   70   1HD   LYS   8           HD2      LYS   8   8.038 -12.235  -0.993
   71   2HD   LYS   8           HD1      LYS   8   9.288 -11.075  -0.559
   72   1HE   LYS   8           HE2      LYS   8   9.862 -13.634  -0.568
   73   2HE   LYS   8           HE1      LYS   8  10.458 -12.627   0.751
   74   1HZ   LYS   8           HZ3      LYS   8   7.822 -13.882   1.018
   75   2HZ   LYS   8           HZ2      LYS   8   9.202 -14.853   1.218
   76   3HZ   LYS   8           HZ1      LYS   8   8.959 -13.500   2.215
   77    H    THR   9           HN       THR   9   8.458 -11.900   5.200
   78    HA   THR   9           HA       THR   9   6.794 -14.153   4.848
   79    HB   THR   9           HB       THR   9   7.755 -13.003   7.478
   80    HG1  THR   9           HG1      THR   9   9.605 -14.073   7.105
   81   1HG2  THR   9          HG22      THR   9   6.602 -15.650   6.644
   82   2HG2  THR   9          HG21      THR   9   7.824 -15.611   7.914
   83   3HG2  THR   9          HG23      THR   9   6.318 -14.719   8.115
   84    H    ALA  10           HN       ALA  10   6.256 -11.261   6.858
   85    HA   ALA  10           HA       ALA  10   3.607 -12.057   7.702
   86   1HB   ALA  10           HB3      ALA  10   5.060  -9.397   7.637
   87   2HB   ALA  10           HB2      ALA  10   3.394  -9.535   8.200
   88   3HB   ALA  10           HB1      ALA  10   4.684 -10.395   9.043
   89    H    PHE  11           HN       PHE  11   4.883 -10.368   4.899
   90    HA   PHE  11           HA       PHE  11   2.485  -9.163   3.961
   91   1HB   PHE  11           HB2      PHE  11   4.833  -8.900   3.012
   92   2HB   PHE  11           HB1      PHE  11   4.628 -10.461   2.248
   93    HD1  PHE  11           HD1      PHE  11   2.756  -7.228   2.616
   94    HD2  PHE  11           HD2      PHE  11   3.850 -10.495   0.049
   95    HE1  PHE  11           HE1      PHE  11   1.580  -6.141   0.723
   96    HE2  PHE  11           HE2      PHE  11   2.675  -9.408  -1.840
   97    HZ   PHE  11           HZ       PHE  11   1.537  -7.230  -1.503
   98    H    GLN  12           HN       GLN  12   3.844 -12.402   3.372
   99    HA   GLN  12           HA       GLN  12   1.735 -13.322   1.660
  100   1HB   GLN  12           HB2      GLN  12   3.514 -14.898   3.560
  101   2HB   GLN  12           HB1      GLN  12   2.590 -15.575   2.217
  102   1HG   GLN  12           HG2      GLN  12   4.750 -13.457   1.940
  103   2HG   GLN  12           HG1      GLN  12   4.976 -15.178   1.615
  104   1HE2  GLN  12          HE22      GLN  12   2.446 -14.912  -1.156
  105   2HE2  GLN  12          HE21      GLN  12   2.511 -15.771   0.307
  106    H    GLU  13           HN       GLU  13   2.225 -13.455   5.164
  107    HA   GLU  13           HA       GLU  13  -0.129 -14.972   5.783
  108   1HB   GLU  13           HB2      GLU  13   1.455 -12.961   7.419
  109   2HB   GLU  13           HB1      GLU  13   0.224 -14.022   8.087
  110   1HG   GLU  13           HG2      GLU  13   2.710 -14.966   6.630
  111   2HG   GLU  13           HG1      GLU  13   2.520 -14.941   8.384
  112    H    ALA  14           HN       ALA  14   0.457 -11.513   5.401
  113    HA   ALA  14           HA       ALA  14  -2.121 -10.678   6.363
  114   1HB   ALA  14           HB1      ALA  14   0.007  -9.261   5.976
  115   2HB   ALA  14           HB3      ALA  14  -0.507  -9.189   4.291
  116   3HB   ALA  14           HB2      ALA  14  -1.542  -8.530   5.559
  117    H    LEU  15           HN       LEU  15  -0.861 -11.421   3.120
  118    HA   LEU  15           HA       LEU  15  -3.196 -10.700   1.666
  119   1HB   LEU  15           HB2      LEU  15  -1.089 -12.818   1.149
  120   2HB   LEU  15           HB1      LEU  15  -2.324 -12.371  -0.025
  121    HG   LEU  15           HG       LEU  15  -0.414 -10.382   1.223
  122   1HD1  LEU  15          HD13      LEU  15  -0.152 -12.089  -1.248
  123   2HD1  LEU  15          HD12      LEU  15   0.618 -10.503  -1.177
  124   3HD1  LEU  15          HD11      LEU  15   1.050 -11.745  -0.004
  125   1HD2  LEU  15          HD23      LEU  15  -2.510 -10.263  -0.939
  126   2HD2  LEU  15          HD22      LEU  15  -2.170  -9.111   0.354
  127   3HD2  LEU  15          HD21      LEU  15  -1.107  -9.198  -1.045
  128    H    ASP  16           HN       ASP  16  -2.242 -13.691   3.293
  129    HA   ASP  16           HA       ASP  16  -4.561 -15.171   2.466
  130   1HB   ASP  16           HB2      ASP  16  -2.388 -16.167   3.293
  131   2HB   ASP  16           HB1      ASP  16  -2.887 -15.705   4.925
  132    H    ALA  17           HN       ALA  17  -3.836 -13.100   5.225
  133    HA   ALA  17           HA       ALA  17  -6.136 -13.791   6.800
  134   1HB   ALA  17           HB3      ALA  17  -4.098 -12.550   7.627
  135   2HB   ALA  17           HB2      ALA  17  -4.683 -11.131   6.754
  136   3HB   ALA  17           HB1      ALA  17  -5.628 -11.801   8.082
  137    H    ALA  18           HN       ALA  18  -5.572 -11.261   4.366
  138    HA   ALA  18           HA       ALA  18  -8.077  -9.925   4.645
  139   1HB   ALA  18           HB2      ALA  18  -6.096  -9.097   3.318
  140   2HB   ALA  18           HB1      ALA  18  -6.512 -10.278   2.076
  141   3HB   ALA  18           HB3      ALA  18  -7.636  -8.978   2.467
  142    H    GLY  19           HN       GLY  19  -7.168 -12.852   2.902
  143   1HA   GLY  19           HA2      GLY  19  -8.547 -14.498   1.944
  144   2HA   GLY  19           HA1      GLY  19  -9.913 -13.712   2.738
  145    H    ASP  20           HN       ASP  20 -11.401 -13.089   1.277
  146    HA   ASP  20           HA       ASP  20 -10.602 -12.488  -1.504
  147   1HB   ASP  20           HB2      ASP  20 -13.331 -12.679  -0.204
  148   2HB   ASP  20           HB1      ASP  20 -13.027 -12.507  -1.934
  149    H    LYS  21           HN       LYS  21 -10.730 -10.696   1.253
  150    HA   LYS  21           HA       LYS  21 -12.207  -8.378   0.285
  151   1HB   LYS  21           HB2      LYS  21 -10.259  -8.763   2.581
  152   2HB   LYS  21           HB1      LYS  21 -11.070  -7.232   2.251
  153   1HG   LYS  21           HG2      LYS  21 -13.266  -8.618   2.320
  154   2HG   LYS  21           HG1      LYS  21 -12.289  -9.858   3.105
  155   1HD   LYS  21           HD2      LYS  21 -11.570  -8.115   4.782
  156   2HD   LYS  21           HD1      LYS  21 -12.754  -7.021   4.059
  157   1HE   LYS  21           HE2      LYS  21 -13.405  -9.751   5.200
  158   2HE   LYS  21           HE1      LYS  21 -13.659  -8.225   6.045
  159   1HZ   LYS  21           HZ1      LYS  21 -15.020  -7.544   4.063
  160   2HZ   LYS  21           HZ3      LYS  21 -14.955  -9.159   3.552
  161   3HZ   LYS  21           HZ2      LYS  21 -15.696  -8.767   5.030
  162    H    LEU  22           HN       LEU  22 -11.305  -6.397  -0.491
  163    HA   LEU  22           HA       LEU  22  -9.088  -6.638  -2.245
  164   1HB   LEU  22           HB2      LEU  22 -11.068  -4.764  -1.780
  165   2HB   LEU  22           HB1      LEU  22  -9.654  -3.926  -1.173
  166    HG   LEU  22           HG       LEU  22 -10.039  -5.036  -3.956
  167   1HD1  LEU  22          HD11      LEU  22 -10.298  -2.347  -2.688
  168   2HD1  LEU  22          HD13      LEU  22  -9.423  -2.369  -4.213
  169   3HD1  LEU  22          HD12      LEU  22 -11.067  -2.993  -4.130
  170   1HD2  LEU  22          HD23      LEU  22  -7.602  -3.886  -2.582
  171   2HD2  LEU  22          HD22      LEU  22  -7.720  -5.355  -3.556
  172   3HD2  LEU  22          HD21      LEU  22  -7.800  -3.780  -4.328
  173    H    VAL  23           HN       VAL  23  -6.941  -5.533  -1.978
  174    HA   VAL  23           HA       VAL  23  -6.132  -4.961   0.806
  175    HB   VAL  23           HB       VAL  23  -4.806  -7.071  -0.929
  176   1HG1  VAL  23          HG13      VAL  23  -4.007  -5.724   1.656
  177   2HG1  VAL  23          HG12      VAL  23  -3.399  -7.321   1.221
  178   3HG1  VAL  23          HG11      VAL  23  -3.051  -5.935   0.188
  179   1HG2  VAL  23          HG22      VAL  23  -6.440  -7.160   1.610
  180   2HG2  VAL  23          HG21      VAL  23  -6.684  -8.074   0.125
  181   3HG2  VAL  23          HG23      VAL  23  -5.328  -8.459   1.183
  182    H    VAL  24           HN       VAL  24  -5.326  -2.941   0.505
  183    HA   VAL  24           HA       VAL  24  -3.768  -2.379  -1.974
  184    HB   VAL  24           HB       VAL  24  -4.640  -0.432   0.188
  185   1HG1  VAL  24          HG13      VAL  24  -2.754   0.214  -1.347
  186   2HG1  VAL  24          HG12      VAL  24  -3.850  -0.003  -2.709
  187   3HG1  VAL  24          HG11      VAL  24  -4.176   1.246  -1.509
  188   1HG2  VAL  24          HG22      VAL  24  -6.035  -1.425  -2.304
  189   2HG2  VAL  24          HG21      VAL  24  -6.681  -1.278  -0.670
  190   3HG2  VAL  24          HG23      VAL  24  -6.383   0.168  -1.633
  191    H    VAL  25           HN       VAL  25  -1.569  -1.823  -1.843
  192    HA   VAL  25           HA       VAL  25  -0.302  -2.038   0.877
  193    HB   VAL  25           HB       VAL  25   0.825  -3.032  -1.762
  194   1HG1  VAL  25          HG11      VAL  25   2.426  -2.334   0.108
  195   2HG1  VAL  25          HG13      VAL  25   1.738  -3.660   1.046
  196   3HG1  VAL  25          HG12      VAL  25   2.579  -3.993  -0.465
  197   1HG2  VAL  25          HG22      VAL  25  -1.199  -4.303  -0.910
  198   2HG2  VAL  25          HG21      VAL  25   0.275  -5.262  -1.025
  199   3HG2  VAL  25          HG23      VAL  25  -0.269  -4.668   0.542
  200    H    ASP  26           HN       ASP  26   0.700  -0.176   1.409
  201    HA   ASP  26           HA       ASP  26   1.498   1.720  -0.763
  202   1HB   ASP  26           HB2      ASP  26   0.085   2.633   1.019
  203   2HB   ASP  26           HB1      ASP  26   1.257   2.138   2.238
  204    H    PHE  27           HN       PHE  27   3.577   1.706  -1.388
  205    HA   PHE  27           HA       PHE  27   5.684   0.583   0.390
  206   1HB   PHE  27           HB2      PHE  27   5.595   1.247  -2.560
  207   2HB   PHE  27           HB1      PHE  27   7.106   0.858  -1.732
  208    HD1  PHE  27           HD1      PHE  27   7.360  -1.361  -0.593
  209    HD2  PHE  27           HD2      PHE  27   4.046  -0.463  -3.173
  210    HE1  PHE  27           HE1      PHE  27   6.904  -3.783  -0.850
  211    HE2  PHE  27           HE2      PHE  27   3.589  -2.886  -3.415
  212    HZ   PHE  27           HZ       PHE  27   5.019  -4.547  -2.265
  213    H    SER  28           HN       SER  28   4.396   3.362   0.585
  214    HA   SER  28           HA       SER  28   6.237   5.323  -0.264
  215   1HB   SER  28           HB2      SER  28   4.582   5.328   2.273
  216   2HB   SER  28           HB1      SER  28   5.327   6.738   1.530
  217    HG   SER  28           HG       SER  28   3.960   5.525  -0.359
  218    H    ALA  29           HN       ALA  29   8.057   6.238   0.658
  219    HA   ALA  29           HA       ALA  29   9.543   4.501   2.507
  220   1HB   ALA  29           HB3      ALA  29  10.163   6.939   0.859
  221   2HB   ALA  29           HB2      ALA  29  11.216   6.565   2.225
  222   3HB   ALA  29           HB1      ALA  29  11.011   5.396   0.921
  223    H    THR  30           HN       THR  30   9.546   4.820   4.694
  224    HA   THR  30           HA       THR  30   7.916   6.910   5.822
  225    HB   THR  30           HB       THR  30   8.244   4.781   6.995
  226    HG1  THR  30           HG1      THR  30   8.402   7.155   8.030
  227   1HG2  THR  30          HG21      THR  30  10.653   4.549   6.191
  228   2HG2  THR  30          HG23      THR  30  11.094   5.637   7.509
  229   3HG2  THR  30          HG22      THR  30  10.346   4.079   7.863
  230    H    TRP  31           HN       TRP  31  11.360   6.568   5.132
  231    HA   TRP  31           HA       TRP  31  12.145   8.905   6.681
  232   1HB   TRP  31           HB2      TRP  31  14.267   8.745   5.475
  233   2HB   TRP  31           HB1      TRP  31  13.763   7.159   6.060
  234    HD1  TRP  31           HD1      TRP  31  13.264   5.335   4.337
  235    HE1  TRP  31           HE1      TRP  31  13.493   5.164   1.773
  236    HE3  TRP  31           HE3      TRP  31  13.917  10.250   3.212
  237    HZ2  TRP  31           HZ2      TRP  31  13.865   6.912  -0.462
  238    HZ3  TRP  31           HZ3      TRP  31  14.180  10.983   0.864
  239    HH2  TRP  31           HH2      TRP  31  14.154   9.322  -0.975
  240    H    CYS  32           HN       CYS  32  10.731   8.483   3.527
  241    HA   CYS  32           HA       CYS  32  11.672  11.084   2.546
  242   1HB   CYS  32           HB2      CYS  32  11.158   9.072   1.068
  243   2HB   CYS  32           HB1      CYS  32   9.459   9.349   1.410
  244    H    GLY  33           HN       GLY  33  10.775  12.951   3.114
  245   1HA   GLY  33           HA2      GLY  33   8.566  13.151   4.890
  246   2HA   GLY  33           HA1      GLY  33   9.279  14.496   4.010
  247    HA   PRO  34           HA       PRO  34   5.900  14.734   1.216
  248   1HB   PRO  34           HB2      PRO  34   6.805  13.723  -1.280
  249   2HB   PRO  34           HB1      PRO  34   6.884  15.399  -0.723
  250   1HG   PRO  34           HG2      PRO  34   9.046  13.400  -0.925
  251   2HG   PRO  34           HG1      PRO  34   9.155  15.164  -0.816
  252   1HD   PRO  34           HD2      PRO  34   9.775  13.371   1.248
  253   2HD   PRO  34           HD1      PRO  34   9.474  15.106   1.467
  254    H    ALA  35           HN       ALA  35   7.456  11.553   1.059
  255    HA   ALA  35           HA       ALA  35   5.063  10.234   0.035
  256   1HB   ALA  35           HB2      ALA  35   7.585   9.469  -0.070
  257   2HB   ALA  35           HB1      ALA  35   7.230   8.755   1.504
  258   3HB   ALA  35           HB3      ALA  35   6.309   8.265   0.082
  259    H    LYS  36           HN       LYS  36   6.717  10.202   3.211
  260    HA   LYS  36           HA       LYS  36   4.671   8.761   4.579
  261   1HB   LYS  36           HB2      LYS  36   6.980   9.161   5.469
  262   2HB   LYS  36           HB1      LYS  36   6.530  10.840   5.768
  263   1HG   LYS  36           HG2      LYS  36   4.647  10.031   7.213
  264   2HG   LYS  36           HG1      LYS  36   5.232   8.382   6.986
  265   1HD   LYS  36           HD2      LYS  36   7.402   9.008   7.973
  266   2HD   LYS  36           HD1      LYS  36   6.831  10.662   8.191
  267   1HE   LYS  36           HE2      LYS  36   5.030   9.839   9.678
  268   2HE   LYS  36           HE1      LYS  36   5.627   8.190   9.476
  269   1HZ   LYS  36           HZ3      LYS  36   7.862   9.398  10.198
  270   2HZ   LYS  36           HZ2      LYS  36   6.751  10.404  10.999
  271   3HZ   LYS  36           HZ1      LYS  36   6.780   8.737  11.324
  272    H    MET  37           HN       MET  37   5.128  12.223   4.000
  273    HA   MET  37           HA       MET  37   3.084  13.196   5.711
  274   1HB   MET  37           HB2      MET  37   4.791  14.599   4.490
  275   2HB   MET  37           HB1      MET  37   3.831  14.380   3.024
  276   1HG   MET  37           HG2      MET  37   1.859  15.335   4.220
  277   2HG   MET  37           HG1      MET  37   2.890  15.642   5.616
  278   1HE   MET  37           HE2      MET  37   5.006  16.794   5.553
  279   2HE   MET  37           HE1      MET  37   5.206  18.363   4.773
  280   3HE   MET  37           HE3      MET  37   3.886  18.103   5.924
  281    H    ILE  38           HN       ILE  38   2.934  11.674   2.586
  282    HA   ILE  38           HA       ILE  38   0.151  12.403   2.082
  283    HB   ILE  38           HB       ILE  38   2.066  10.472   0.745
  284   1HG1  ILE  38          HG12      ILE  38   0.837  12.995  -0.380
  285   2HG1  ILE  38          HG11      ILE  38   2.308  13.052   0.590
  286   1HG2  ILE  38          HG21      ILE  38  -0.838  11.071   0.183
  287   2HG2  ILE  38          HG23      ILE  38   0.251  10.569  -1.110
  288   3HG2  ILE  38          HG22      ILE  38  -0.028   9.506   0.266
  289   1HD1  ILE  38          HD13      ILE  38   3.333  11.389  -0.971
  290   2HD1  ILE  38          HD12      ILE  38   1.895  11.518  -1.981
  291   3HD1  ILE  38          HD11      ILE  38   2.933  12.926  -1.732
  292    H    LYS  39           HN       LYS  39   1.554  10.173   4.202
  293    HA   LYS  39           HA       LYS  39  -0.120   7.929   3.697
  294   1HB   LYS  39           HB2      LYS  39   0.553   6.948   5.694
  295   2HB   LYS  39           HB1      LYS  39   1.940   7.922   5.224
  296   1HG   LYS  39           HG2      LYS  39   1.170   9.703   6.795
  297   2HG   LYS  39           HG1      LYS  39  -0.147   8.664   7.312
  298   1HD   LYS  39           HD2      LYS  39   2.815   8.322   7.749
  299   2HD   LYS  39           HD1      LYS  39   1.523   8.375   8.944
  300   1HE   LYS  39           HE2      LYS  39   0.663   6.200   7.907
  301   2HE   LYS  39           HE1      LYS  39   2.206   6.121   7.045
  302   1HZ   LYS  39           HZ1      LYS  39   2.166   6.574   9.948
  303   2HZ   LYS  39           HZ3      LYS  39   1.986   5.002   9.343
  304   3HZ   LYS  39           HZ2      LYS  39   3.387   5.895   8.986
  305    HA   PRO  40           HA       PRO  40  -3.076   9.887   7.073
  306   1HB   PRO  40           HB2      PRO  40  -3.556  12.436   5.598
  307   2HB   PRO  40           HB1      PRO  40  -3.444  12.152   7.346
  308   1HG   PRO  40           HG2      PRO  40  -1.473  13.396   6.025
  309   2HG   PRO  40           HG1      PRO  40  -1.116  12.268   7.343
  310   1HD   PRO  40           HD2      PRO  40  -0.906  11.846   4.396
  311   2HD   PRO  40           HD1      PRO  40   0.173  11.255   5.675
  312    H    PHE  41           HN       PHE  41  -3.313  10.745   3.582
  313    HA   PHE  41           HA       PHE  41  -6.156  10.222   3.473
  314   1HB   PHE  41           HB2      PHE  41  -4.011  10.149   1.325
  315   2HB   PHE  41           HB1      PHE  41  -5.727   9.951   1.009
  316    HD1  PHE  41           HD2      PHE  41  -3.316  12.293   2.638
  317    HD2  PHE  41           HD1      PHE  41  -7.068  11.829   0.600
  318    HE1  PHE  41           HE2      PHE  41  -3.575  14.758   2.558
  319    HE2  PHE  41           HE1      PHE  41  -7.329  14.295   0.523
  320    HZ   PHE  41           HZ       PHE  41  -5.581  15.760   1.498
  321    H    PHE  42           HN       PHE  42  -3.265   8.285   2.691
  322    HA   PHE  42           HA       PHE  42  -4.624   5.904   1.918
  323   1HB   PHE  42           HB2      PHE  42  -2.231   6.275   1.505
  324   2HB   PHE  42           HB1      PHE  42  -1.911   6.276   3.243
  325    HD1  PHE  42           HD1      PHE  42  -3.166   4.165   0.432
  326    HD2  PHE  42           HD2      PHE  42  -1.639   4.257   4.447
  327    HE1  PHE  42           HE1      PHE  42  -2.991   1.693   0.432
  328    HE2  PHE  42           HE2      PHE  42  -1.467   1.786   4.443
  329    HZ   PHE  42           HZ       PHE  42  -2.148   0.499   2.434
  330    H    HIS  43           HN       HIS  43  -3.200   6.753   5.078
  331    HA   HIS  43           HA       HIS  43  -4.253   4.475   6.468
  332   1HB   HIS  43           HB2      HIS  43  -2.296   5.741   7.246
  333   2HB   HIS  43           HB1      HIS  43  -3.301   7.165   7.507
  334    HD1  HIS  43           HD1      HIS  43  -2.341   3.916   9.029
  335    HD2  HIS  43           HD2      HIS  43  -5.149   6.916   9.691
  336    HE1  HIS  43           HE1      HIS  43  -3.326   3.480  11.325
  337    H    SER  44           HN       SER  44  -5.454   7.820   6.125
  338    HA   SER  44           HA       SER  44  -7.595   7.599   7.997
  339   1HB   SER  44           HB2      SER  44  -7.426   9.318   5.512
  340   2HB   SER  44           HB1      SER  44  -8.620   9.504   6.788
  341    HG   SER  44           HG       SER  44  -7.140  10.729   7.647
  342    H    LEU  45           HN       LEU  45  -7.435   6.832   4.540
  343    HA   LEU  45           HA       LEU  45 -10.211   6.353   4.136
  344   1HB   LEU  45           HB2      LEU  45  -7.773   5.208   2.771
  345   2HB   LEU  45           HB1      LEU  45  -9.408   4.871   2.228
  346    HG   LEU  45           HG       LEU  45  -8.477   7.725   2.596
  347   1HD1  LEU  45          HD12      LEU  45  -8.108   5.966   0.152
  348   2HD1  LEU  45          HD11      LEU  45  -7.958   7.722   0.139
  349   3HD1  LEU  45          HD13      LEU  45  -6.833   6.748   1.086
  350   1HD2  LEU  45          HD23      LEU  45 -10.613   6.356   0.940
  351   2HD2  LEU  45          HD22      LEU  45 -10.842   7.496   2.263
  352   3HD2  LEU  45          HD21      LEU  45 -10.167   8.048   0.737
  353    H    SER  46           HN       SER  46  -7.818   4.441   5.776
  354    HA   SER  46           HA       SER  46  -8.855   1.841   5.489
  355   1HB   SER  46           HB2      SER  46  -7.804   3.091   8.045
  356   2HB   SER  46           HB1      SER  46  -7.920   1.368   7.708
  357    HG   SER  46           HG       SER  46  -6.395   3.266   6.243
  358    H    GLU  47           HN       GLU  47  -9.983   4.530   7.456
  359    HA   GLU  47           HA       GLU  47 -12.125   2.884   8.654
  360   1HB   GLU  47           HB2      GLU  47 -11.348   5.814   8.887
  361   2HB   GLU  47           HB1      GLU  47 -12.750   5.119   9.699
  362   1HG   GLU  47           HG2      GLU  47 -10.962   5.067  11.291
  363   2HG   GLU  47           HG1      GLU  47 -11.159   3.411  10.722
  364    H    LYS  48           HN       LYS  48 -11.628   4.816   5.828
  365    HA   LYS  48           HA       LYS  48 -14.444   5.593   5.541
  366   1HB   LYS  48           HB2      LYS  48 -12.581   6.903   4.473
  367   2HB   LYS  48           HB1      LYS  48 -12.282   5.525   3.414
  368   1HG   LYS  48           HG2      LYS  48 -14.644   5.660   2.621
  369   2HG   LYS  48           HG1      LYS  48 -14.866   7.100   3.613
  370   1HD   LYS  48           HD2      LYS  48 -13.038   8.217   2.371
  371   2HD   LYS  48           HD1      LYS  48 -12.875   6.786   1.353
  372   1HE   LYS  48           HE2      LYS  48 -15.150   7.056   0.533
  373   2HE   LYS  48           HE1      LYS  48 -15.417   8.404   1.639
  374   1HZ   LYS  48           HZ3      LYS  48 -13.151   8.534  -0.213
  375   2HZ   LYS  48           HZ2      LYS  48 -14.711   8.820  -0.823
  376   3HZ   LYS  48           HZ1      LYS  48 -14.094   9.789   0.430
  377    H    TYR  49           HN       TYR  49 -12.260   3.094   4.399
  378    HA   TYR  49           HA       TYR  49 -14.632   1.539   3.390
  379   1HB   TYR  49           HB2      TYR  49 -11.786   1.557   2.308
  380   2HB   TYR  49           HB1      TYR  49 -13.074   0.483   1.761
  381    HD1  TYR  49           HD2      TYR  49 -15.315   1.673   1.048
  382    HD2  TYR  49           HD1      TYR  49 -11.481   3.607   1.187
  383    HE1  TYR  49           HE2      TYR  49 -16.138   3.417  -0.513
  384    HE2  TYR  49           HE1      TYR  49 -12.303   5.346  -0.377
  385    HH   TYR  49           HH       TYR  49 -14.459   5.217  -2.301
  386    H    SER  50           HN       SER  50 -14.479   1.067   5.798
  387    HA   SER  50           HA       SER  50 -12.322  -0.443   6.875
  388   1HB   SER  50           HB2      SER  50 -13.811  -0.918   8.691
  389   2HB   SER  50           HB1      SER  50 -14.195   0.702   8.143
  390    HG   SER  50           HG       SER  50 -15.589  -1.710   7.689
  391    H    ASN  51           HN       ASN  51 -14.507  -1.221   4.437
  392    HA   ASN  51           HA       ASN  51 -14.517  -4.128   5.020
  393   1HB   ASN  51           HB2      ASN  51 -16.521  -2.896   4.017
  394   2HB   ASN  51           HB1      ASN  51 -15.568  -2.744   2.541
  395   1HD2  ASN  51          HD22      ASN  51 -16.267  -6.037   1.512
  396   2HD2  ASN  51          HD21      ASN  51 -15.700  -4.489   1.105
  397    H    VAL  52           HN       VAL  52 -12.246  -2.126   4.031
  398    HA   VAL  52           HA       VAL  52 -11.059  -4.059   2.085
  399    HB   VAL  52           HB       VAL  52 -11.007  -1.028   2.043
  400   1HG1  VAL  52          HG12      VAL  52  -9.111  -3.036   0.852
  401   2HG1  VAL  52          HG11      VAL  52  -9.495  -1.584  -0.076
  402   3HG1  VAL  52          HG13      VAL  52  -8.774  -1.450   1.526
  403   1HG2  VAL  52          HG22      VAL  52 -11.849  -3.160   0.055
  404   2HG2  VAL  52          HG21      VAL  52 -12.908  -2.040   0.907
  405   3HG2  VAL  52          HG23      VAL  52 -11.783  -1.435  -0.308
  406    H    ILE  53           HN       ILE  53  -8.823  -4.492   2.472
  407    HA   ILE  53           HA       ILE  53  -7.891  -3.575   5.172
  408    HB   ILE  53           HB       ILE  53  -6.694  -5.720   3.404
  409   1HG1  ILE  53          HG12      ILE  53  -9.023  -6.306   3.781
  410   2HG1  ILE  53          HG11      ILE  53  -8.023  -7.309   4.828
  411   1HG2  ILE  53          HG23      ILE  53  -5.451  -4.680   5.421
  412   2HG2  ILE  53          HG22      ILE  53  -6.630  -5.518   6.417
  413   3HG2  ILE  53          HG21      ILE  53  -5.566  -6.434   5.354
  414   1HD1  ILE  53          HD12      ILE  53  -8.425  -5.459   6.617
  415   2HD1  ILE  53          HD11      ILE  53  -9.747  -4.948   5.569
  416   3HD1  ILE  53          HD13      ILE  53  -9.744  -6.570   6.257
  417    H    PHE  54           HN       PHE  54  -6.376  -1.983   5.258
  418    HA   PHE  54           HA       PHE  54  -4.771  -1.359   2.797
  419   1HB   PHE  54           HB2      PHE  54  -5.379   0.277   5.280
  420   2HB   PHE  54           HB1      PHE  54  -4.304   0.805   3.990
  421    HD1  PHE  54           HD1      PHE  54  -7.791  -0.381   4.623
  422    HD2  PHE  54           HD2      PHE  54  -5.185   1.925   2.105
  423    HE1  PHE  54           HE1      PHE  54  -9.757   0.494   3.386
  424    HE2  PHE  54           HE2      PHE  54  -7.154   2.791   0.861
  425    HZ   PHE  54           HZ       PHE  54  -9.435   2.074   1.506
  426    H    LEU  55           HN       LEU  55  -2.627  -1.932   2.829
  427    HA   LEU  55           HA       LEU  55  -1.329  -2.481   5.482
  428   1HB   LEU  55           HB2      LEU  55  -0.725  -3.571   2.716
  429   2HB   LEU  55           HB1      LEU  55   0.391  -3.742   4.068
  430    HG   LEU  55           HG       LEU  55  -1.164  -5.090   5.291
  431   1HD1  LEU  55          HD11      LEU  55  -3.163  -4.149   3.247
  432   2HD1  LEU  55          HD13      LEU  55  -3.426  -5.649   4.134
  433   3HD1  LEU  55          HD12      LEU  55  -3.270  -4.134   5.008
  434   1HD2  LEU  55          HD21      LEU  55  -1.180  -5.858   2.359
  435   2HD2  LEU  55          HD23      LEU  55   0.045  -6.289   3.553
  436   3HD2  LEU  55          HD22      LEU  55  -1.584  -6.950   3.685
  437    H    GLU  56           HN       GLU  56   0.595  -1.494   5.958
  438    HA   GLU  56           HA       GLU  56   1.527   0.634   4.060
  439   1HB   GLU  56           HB2      GLU  56   0.691   1.362   6.357
  440   2HB   GLU  56           HB1      GLU  56   2.056   0.477   7.044
  441   1HG   GLU  56           HG2      GLU  56   3.584   1.834   5.566
  442   2HG   GLU  56           HG1      GLU  56   2.183   2.806   5.104
  443    H    VAL  57           HN       VAL  57   3.587   0.365   3.273
  444    HA   VAL  57           HA       VAL  57   5.319  -1.710   4.591
  445    HB   VAL  57           HB       VAL  57   4.978  -1.234   1.620
  446   1HG1  VAL  57          HG12      VAL  57   6.501  -3.315   3.206
  447   2HG1  VAL  57          HG11      VAL  57   6.289  -3.344   1.457
  448   3HG1  VAL  57          HG13      VAL  57   7.207  -2.040   2.209
  449   1HG2  VAL  57          HG23      VAL  57   3.844  -3.284   3.527
  450   2HG2  VAL  57          HG22      VAL  57   2.977  -2.253   2.390
  451   3HG2  VAL  57          HG21      VAL  57   3.965  -3.587   1.793
  452    H    ASP  58           HN       ASP  58   7.434  -1.165   4.847
  453    HA   ASP  58           HA       ASP  58   8.309   1.571   4.024
  454   1HB   ASP  58           HB2      ASP  58   8.441   0.782   6.441
  455   2HB   ASP  58           HB1      ASP  58   9.672  -0.363   5.900
  456    H    VAL  59           HN       VAL  59   9.565   1.631   2.165
  457    HA   VAL  59           HA       VAL  59  10.684  -0.806   1.039
  458    HB   VAL  59           HB       VAL  59  11.835   0.697  -0.537
  459   1HG1  VAL  59          HG13      VAL  59   8.960   1.302   0.150
  460   2HG1  VAL  59          HG12      VAL  59   9.746   2.069  -1.225
  461   3HG1  VAL  59          HG11      VAL  59   9.593   0.315  -1.165
  462   1HG2  VAL  59          HG22      VAL  59  10.926   2.848   1.392
  463   2HG2  VAL  59          HG21      VAL  59  12.579   2.455   0.929
  464   3HG2  VAL  59          HG23      VAL  59  11.487   3.189  -0.245
  465    H    ASP  60           HN       ASP  60  11.678   1.392   3.497
  466    HA   ASP  60           HA       ASP  60  14.533   0.665   3.227
  467   1HB   ASP  60           HB2      ASP  60  12.968   2.555   4.964
  468   2HB   ASP  60           HB1      ASP  60  14.616   2.126   5.386
  469    H    ASP  61           HN       ASP  61  11.883   0.069   5.583
  470    HA   ASP  61           HA       ASP  61  13.705  -1.811   7.035
  471   1HB   ASP  61           HB2      ASP  61  10.902  -0.869   7.729
  472   2HB   ASP  61           HB1      ASP  61  11.933  -1.880   8.740
  473    H    ALA  62           HN       ALA  62  11.057  -1.734   4.837
  474    HA   ALA  62           HA       ALA  62  10.753  -4.708   5.039
  475   1HB   ALA  62           HB2      ALA  62   8.695  -3.176   5.498
  476   2HB   ALA  62           HB1      ALA  62   8.714  -2.884   3.760
  477   3HB   ALA  62           HB3      ALA  62   8.494  -4.522   4.375
  478    H    GLN  63           HN       GLN  63  12.836  -3.391   3.700
  479    HA   GLN  63           HA       GLN  63  12.383  -2.917   0.946
  480   1HB   GLN  63           HB2      GLN  63  14.784  -3.110   0.698
  481   2HB   GLN  63           HB1      GLN  63  14.464  -2.339   2.245
  482   1HG   GLN  63           HG2      GLN  63  15.074  -5.279   1.870
  483   2HG   GLN  63           HG1      GLN  63  16.194  -4.061   2.460
  484   1HE2  GLN  63          HE22      GLN  63  13.490  -5.652   5.000
  485   2HE2  GLN  63          HE21      GLN  63  13.625  -6.184   3.394
  486    H    ASP  64           HN       ASP  64  12.452  -5.875   2.733
  487    HA   ASP  64           HA       ASP  64  13.208  -7.660   0.634
  488   1HB   ASP  64           HB2      ASP  64  11.899  -9.356   1.999
  489   2HB   ASP  64           HB1      ASP  64  13.146  -8.494   2.892
  490    H    VAL  65           HN       VAL  65  10.108  -6.230   1.576
  491    HA   VAL  65           HA       VAL  65   8.580  -7.748  -0.366
  492    HB   VAL  65           HB       VAL  65   7.837  -5.070   0.853
  493   1HG1  VAL  65          HG11      VAL  65   6.465  -6.076  -1.035
  494   2HG1  VAL  65          HG13      VAL  65   6.101  -7.419   0.048
  495   3HG1  VAL  65          HG12      VAL  65   5.576  -5.787   0.460
  496   1HG2  VAL  65          HG23      VAL  65   7.893  -7.827   2.044
  497   2HG2  VAL  65          HG22      VAL  65   8.304  -6.287   2.791
  498   3HG2  VAL  65          HG21      VAL  65   6.615  -6.716   2.528
  499    H    ALA  66           HN       ALA  66   9.947  -4.463  -0.245
  500    HA   ALA  66           HA       ALA  66   8.928  -3.674  -2.807
  501   1HB   ALA  66           HB2      ALA  66   9.974  -2.292  -0.770
  502   2HB   ALA  66           HB1      ALA  66  11.428  -2.410  -1.759
  503   3HB   ALA  66           HB3      ALA  66   9.969  -1.660  -2.413
  504    H    SER  67           HN       SER  67  12.047  -5.085  -1.816
  505    HA   SER  67           HA       SER  67  13.327  -4.783  -4.359
  506   1HB   SER  67           HB2      SER  67  14.877  -6.501  -3.596
  507   2HB   SER  67           HB1      SER  67  14.500  -5.436  -2.245
  508    HG   SER  67           HG       SER  67  12.907  -7.000  -1.625
  509    H    GLU  68           HN       GLU  68  11.157  -7.229  -3.068
  510    HA   GLU  68           HA       GLU  68  11.433  -9.139  -5.175
  511   1HB   GLU  68           HB2      GLU  68  10.323  -9.572  -2.972
  512   2HB   GLU  68           HB1      GLU  68   8.977  -8.558  -3.491
  513   1HG   GLU  68           HG2      GLU  68   8.673 -10.074  -5.471
  514   2HG   GLU  68           HG1      GLU  68   9.913 -11.129  -4.794
  515    H    ALA  69           HN       ALA  69   9.352  -6.289  -4.786
  516    HA   ALA  69           HA       ALA  69   8.000  -6.809  -7.346
  517   1HB   ALA  69           HB3      ALA  69   6.870  -5.813  -5.300
  518   2HB   ALA  69           HB2      ALA  69   7.775  -4.335  -5.634
  519   3HB   ALA  69           HB1      ALA  69   6.614  -4.945  -6.815
  520    H    GLU  70           HN       GLU  70  10.976  -5.527  -6.619
  521    HA   GLU  70           HA       GLU  70  12.421  -4.093  -7.782
  522   1HB   GLU  70           HB2      GLU  70  10.538  -4.864 -10.026
  523   2HB   GLU  70           HB1      GLU  70  12.010  -3.929 -10.266
  524   1HG   GLU  70           HG2      GLU  70  12.627  -6.178 -10.686
  525   2HG   GLU  70           HG1      GLU  70  13.240  -5.824  -9.074
  526    H    VAL  71           HN       VAL  71  10.707  -2.636  -6.264
  527    HA   VAL  71           HA       VAL  71   9.118  -0.754  -7.739
  528    HB   VAL  71           HB       VAL  71  10.521  -0.284  -5.086
  529   1HG1  VAL  71          HG13      VAL  71   8.081   0.903  -6.452
  530   2HG1  VAL  71          HG12      VAL  71   8.467   1.172  -4.755
  531   3HG1  VAL  71          HG11      VAL  71   9.571   1.737  -6.013
  532   1HG2  VAL  71          HG21      VAL  71   7.919  -1.695  -5.789
  533   2HG2  VAL  71          HG23      VAL  71   9.279  -2.344  -4.875
  534   3HG2  VAL  71          HG22      VAL  71   8.263  -1.086  -4.171
  535    H    LYS  72           HN       LYS  72   9.727   1.030  -8.865
  536    HA   LYS  72           HA       LYS  72  12.620   1.714  -8.931
  537   1HB   LYS  72           HB2      LYS  72  10.396   2.354 -10.877
  538   2HB   LYS  72           HB1      LYS  72  12.095   2.760 -11.102
  539   1HG   LYS  72           HG2      LYS  72  11.168  -0.102 -10.662
  540   2HG   LYS  72           HG1      LYS  72  11.272   0.615 -12.269
  541   1HD   LYS  72           HD2      LYS  72  13.704   1.203 -11.689
  542   2HD   LYS  72           HD1      LYS  72  13.522   0.121 -10.309
  543   1HE   LYS  72           HE2      LYS  72  13.075  -0.642 -13.206
  544   2HE   LYS  72           HE1      LYS  72  14.481  -1.076 -12.233
  545   1HZ   LYS  72           HZ1      LYS  72  12.512  -1.913 -10.657
  546   2HZ   LYS  72           HZ3      LYS  72  11.779  -2.141 -12.168
  547   3HZ   LYS  72           HZ2      LYS  72  13.259  -2.900 -11.819
  548    H    ALA  73           HN       ALA  73   9.656   2.919  -7.719
  549    HA   ALA  73           HA       ALA  73  10.980   5.353  -6.837
  550   1HB   ALA  73           HB2      ALA  73   9.302   5.382  -9.259
  551   2HB   ALA  73           HB1      ALA  73   8.845   6.602  -8.075
  552   3HB   ALA  73           HB3      ALA  73  10.492   6.563  -8.711
  553    H    THR  74           HN       THR  74   9.690   6.558  -5.306
  554    HA   THR  74           HA       THR  74   7.218   5.158  -4.352
  555    HB   THR  74           HB       THR  74   7.957   5.501  -2.059
  556    HG1  THR  74           HG1      THR  74  10.360   6.616  -2.855
  557   1HG2  THR  74          HG23      THR  74  10.298   4.574  -3.715
  558   2HG2  THR  74          HG22      THR  74  10.056   4.250  -2.003
  559   3HG2  THR  74          HG21      THR  74   8.952   3.563  -3.196
  560    HA   PRO  75           HA       PRO  75   5.848   5.789  -2.483
  561   1HB   PRO  75           HB2      PRO  75   3.251   6.731  -2.489
  562   2HB   PRO  75           HB1      PRO  75   4.484   7.212  -1.317
  563   1HG   PRO  75           HG2      PRO  75   3.380   8.746  -3.605
  564   2HG   PRO  75           HG1      PRO  75   4.114   9.335  -2.106
  565   1HD   PRO  75           HD2      PRO  75   5.362   9.229  -4.660
  566   2HD   PRO  75           HD1      PRO  75   6.179   9.538  -3.104
  567    H    THR  76           HN       THR  76   4.866   3.921  -3.138
  568    HA   THR  76           HA       THR  76   3.465   3.916  -5.785
  569    HB   THR  76           HB       THR  76   5.437   1.836  -4.797
  570    HG1  THR  76           HG1      THR  76   6.674   2.593  -6.523
  571   1HG2  THR  76          HG23      THR  76   3.650   2.035  -7.219
  572   2HG2  THR  76          HG22      THR  76   5.074   0.992  -7.190
  573   3HG2  THR  76          HG21      THR  76   3.754   0.717  -6.053
  574    H    PHE  77           HN       PHE  77   1.590   2.870  -5.745
  575    HA   PHE  77           HA       PHE  77   0.846   1.369  -3.257
  576   1HB   PHE  77           HB2      PHE  77  -0.917   2.846  -5.243
  577   2HB   PHE  77           HB1      PHE  77  -1.465   2.045  -3.769
  578    HD1  PHE  77           HD1      PHE  77  -0.883   2.977  -1.527
  579    HD2  PHE  77           HD2      PHE  77   0.269   4.951  -5.172
  580    HE1  PHE  77           HE1      PHE  77  -0.393   5.054  -0.253
  581    HE2  PHE  77           HE2      PHE  77   0.762   7.023  -3.894
  582    HZ   PHE  77           HZ       PHE  77   0.427   7.077  -1.435
  583    H    GLN  78           HN       GLN  78   0.312  -0.764  -3.528
  584    HA   GLN  78           HA       GLN  78  -0.207  -1.752  -6.320
  585   1HB   GLN  78           HB2      GLN  78   1.356  -3.056  -4.075
  586   2HB   GLN  78           HB1      GLN  78   0.830  -3.914  -5.525
  587   1HG   GLN  78           HG2      GLN  78   2.030  -2.169  -6.894
  588   2HG   GLN  78           HG1      GLN  78   2.691  -1.522  -5.391
  589   1HE2  GLN  78          HE22      GLN  78   5.381  -3.768  -6.094
  590   2HE2  GLN  78          HE21      GLN  78   4.883  -2.149  -6.183
  591    H    PHE  79           HN       PHE  79  -1.902  -3.137  -6.546
  592    HA   PHE  79           HA       PHE  79  -3.638  -3.503  -4.131
  593   1HB   PHE  79           HB2      PHE  79  -4.285  -3.455  -7.091
  594   2HB   PHE  79           HB1      PHE  79  -5.461  -3.755  -5.806
  595    HD1  PHE  79           HD2      PHE  79  -2.973  -1.274  -7.066
  596    HD2  PHE  79           HD1      PHE  79  -6.371  -1.964  -4.541
  597    HE1  PHE  79           HE2      PHE  79  -3.157   1.163  -6.645
  598    HE2  PHE  79           HE1      PHE  79  -6.544   0.463  -4.110
  599    HZ   PHE  79           HZ       PHE  79  -4.946   2.029  -5.160
  600    H    PHE  80           HN       PHE  80  -4.097  -5.503  -3.423
  601    HA   PHE  80           HA       PHE  80  -3.432  -7.841  -5.158
  602   1HB   PHE  80           HB2      PHE  80  -2.883  -7.441  -2.219
  603   2HB   PHE  80           HB1      PHE  80  -2.873  -9.032  -2.978
  604    HD1  PHE  80           HD2      PHE  80  -1.184  -5.726  -2.829
  605    HD2  PHE  80           HD1      PHE  80  -1.141  -9.682  -4.533
  606    HE1  PHE  80           HE2      PHE  80   1.139  -5.372  -3.611
  607    HE2  PHE  80           HE1      PHE  80   1.186  -9.318  -5.312
  608    HZ   PHE  80           HZ       PHE  80   2.325  -7.162  -4.850
  609    H    LYS  81           HN       LYS  81  -4.844  -9.620  -5.014
  610    HA   LYS  81           HA       LYS  81  -7.176  -9.397  -3.193
  611   1HB   LYS  81           HB2      LYS  81  -7.657  -8.160  -5.360
  612   2HB   LYS  81           HB1      LYS  81  -7.516  -9.713  -6.183
  613   1HG   LYS  81           HG2      LYS  81  -9.266 -10.616  -4.616
  614   2HG   LYS  81           HG1      LYS  81  -9.494  -8.974  -4.015
  615   1HD   LYS  81           HD2      LYS  81  -9.714  -9.677  -6.950
  616   2HD   LYS  81           HD1      LYS  81 -11.097  -9.716  -5.861
  617   1HE   LYS  81           HE2      LYS  81 -10.512  -7.299  -5.249
  618   2HE   LYS  81           HE1      LYS  81  -9.404  -7.325  -6.622
  619   1HZ   LYS  81           HZ2      LYS  81 -11.934  -8.379  -7.339
  620   2HZ   LYS  81           HZ1      LYS  81 -12.103  -6.819  -6.687
  621   3HZ   LYS  81           HZ3      LYS  81 -11.082  -7.075  -8.016
  622    H    LYS  82           HN       LYS  82  -7.496 -11.415  -2.374
  623    HA   LYS  82           HA       LYS  82  -7.419 -13.747  -2.148
  624   1HB   LYS  82           HB2      LYS  82  -7.591 -13.641  -5.190
  625   2HB   LYS  82           HB1      LYS  82  -7.729 -15.105  -4.229
  626   1HG   LYS  82           HG2      LYS  82  -9.772 -14.451  -3.278
  627   2HG   LYS  82           HG1      LYS  82  -9.524 -12.748  -3.668
  628   1HD   LYS  82           HD2      LYS  82  -9.796 -13.235  -6.059
  629   2HD   LYS  82           HD1      LYS  82  -9.972 -14.953  -5.709
  630   1HE   LYS  82           HE2      LYS  82 -11.811 -12.819  -4.595
  631   2HE   LYS  82           HE1      LYS  82 -12.156 -13.736  -6.059
  632   1HZ   LYS  82           HZ3      LYS  82 -11.396 -15.439  -3.907
  633   2HZ   LYS  82           HZ2      LYS  82 -12.735 -14.481  -3.489
  634   3HZ   LYS  82           HZ1      LYS  82 -12.796 -15.476  -4.864
  635    H    GLY  83           HN       GLY  83  -4.996 -12.093  -2.434
  636   1HA   GLY  83           HA2      GLY  83  -2.698 -12.576  -2.317
  637   2HA   GLY  83           HA1      GLY  83  -3.071 -14.255  -2.705
  638    H    GLN  84           HN       GLN  84  -4.392 -11.821  -4.793
  639    HA   GLN  84           HA       GLN  84  -2.270 -12.400  -6.821
  640   1HB   GLN  84           HB2      GLN  84  -5.262 -12.194  -7.226
  641   2HB   GLN  84           HB1      GLN  84  -4.105 -12.200  -8.547
  642   1HG   GLN  84           HG2      GLN  84  -4.290 -14.406  -6.476
  643   2HG   GLN  84           HG1      GLN  84  -5.102 -14.458  -8.040
  644   1HE2  GLN  84          HE22      GLN  84  -1.344 -14.004  -9.159
  645   2HE2  GLN  84          HE21      GLN  84  -2.408 -12.747  -8.735
  646    H    LYS  85           HN       LYS  85  -1.454 -10.666  -7.942
  647    HA   LYS  85           HA       LYS  85  -2.170  -7.959  -7.040
  648   1HB   LYS  85           HB2      LYS  85   0.171  -8.653  -7.578
  649   2HB   LYS  85           HB1      LYS  85  -0.306  -8.845  -9.265
  650   1HG   LYS  85           HG2      LYS  85  -1.019  -6.431  -9.270
  651   2HG   LYS  85           HG1      LYS  85  -0.346  -6.280  -7.645
  652   1HD   LYS  85           HD2      LYS  85   1.851  -7.093  -8.550
  653   2HD   LYS  85           HD1      LYS  85   1.154  -7.034 -10.167
  654   1HE   LYS  85           HE2      LYS  85   0.729  -4.625  -9.912
  655   2HE   LYS  85           HE1      LYS  85   1.384  -4.674  -8.276
  656   1HZ   LYS  85           HZ2      LYS  85   3.052  -5.734 -10.425
  657   2HZ   LYS  85           HZ1      LYS  85   2.861  -4.047 -10.352
  658   3HZ   LYS  85           HZ3      LYS  85   3.497  -4.886  -9.022
  659    H    VAL  86           HN       VAL  86  -3.719  -6.732  -7.974
  660    HA   VAL  86           HA       VAL  86  -4.545  -7.353 -10.787
  661    HB   VAL  86           HB       VAL  86  -6.855  -6.637 -10.080
  662   1HG1  VAL  86          HG12      VAL  86  -5.938  -9.073 -10.158
  663   2HG1  VAL  86          HG11      VAL  86  -5.921  -8.971  -8.398
  664   3HG1  VAL  86          HG13      VAL  86  -7.437  -8.787  -9.280
  665   1HG2  VAL  86          HG23      VAL  86  -5.988  -5.427  -8.007
  666   2HG2  VAL  86          HG22      VAL  86  -7.386  -6.468  -7.743
  667   3HG2  VAL  86          HG21      VAL  86  -5.780  -7.017  -7.271
  668    H    GLY  87           HN       GLY  87  -2.803  -5.143  -9.286
  669   1HA   GLY  87           HA2      GLY  87  -3.287  -3.093 -11.200
  670   2HA   GLY  87           HA1      GLY  87  -4.181  -2.667  -9.745
  671    H    GLU  88           HN       GLU  88  -2.001  -1.165 -10.826
  672    HA   GLU  88           HA       GLU  88  -0.400  -0.834  -8.441
  673   1HB   GLU  88           HB2      GLU  88   1.111  -2.482  -9.042
  674   2HB   GLU  88           HB1      GLU  88   0.682  -2.394 -10.742
  675   1HG   GLU  88           HG2      GLU  88   3.016  -1.669 -10.309
  676   2HG   GLU  88           HG1      GLU  88   2.055  -0.374 -11.010
  677    H    PHE  89           HN       PHE  89   0.694   1.184  -8.486
  678    HA   PHE  89           HA       PHE  89   1.044   2.681 -10.914
  679   1HB   PHE  89           HB2      PHE  89  -0.677   4.272 -10.844
  680   2HB   PHE  89           HB1      PHE  89  -1.497   2.753 -10.529
  681    HD1  PHE  89           HD1      PHE  89   0.046   5.693  -8.789
  682    HD2  PHE  89           HD2      PHE  89  -2.834   2.515  -8.602
  683    HE1  PHE  89           HE1      PHE  89  -0.886   6.663  -6.706
  684    HE2  PHE  89           HE2      PHE  89  -3.765   3.486  -6.521
  685    HZ   PHE  89           HZ       PHE  89  -2.805   5.566  -5.574
  686    H    SER  90           HN       SER  90   1.980   4.806 -10.519
  687    HA   SER  90           HA       SER  90   3.044   5.147  -7.731
  688   1HB   SER  90           HB2      SER  90   5.145   5.949  -8.741
  689   2HB   SER  90           HB1      SER  90   4.821   4.280  -9.209
  690    HG   SER  90           HG       SER  90   4.650   6.658 -10.695
  691    H    GLY  91           HN       GLY  91   3.684   7.359  -7.229
  692   1HA   GLY  91           HA2      GLY  91   3.719   9.730  -8.078
  693   2HA   GLY  91           HA1      GLY  91   2.166   9.402  -8.836
  694    H    ALA  92           HN       ALA  92   3.003  11.343  -6.666
  695    HA   ALA  92           HA       ALA  92   1.660  10.398  -4.259
  696   1HB   ALA  92           HB3      ALA  92   2.883  12.974  -5.189
  697   2HB   ALA  92           HB2      ALA  92   1.845  12.992  -3.768
  698   3HB   ALA  92           HB1      ALA  92   3.301  11.992  -3.792
  699    H    ASN  93           HN       ASN  93  -0.280   9.831  -5.821
  700    HA   ASN  93           HA       ASN  93  -2.195  12.148  -5.872
  701   1HB   ASN  93           HB2      ASN  93  -1.569  11.108  -8.118
  702   2HB   ASN  93           HB1      ASN  93  -2.346   9.630  -7.553
  703   1HD2  ASN  93          HD22      ASN  93  -5.233  12.380  -7.281
  704   2HD2  ASN  93          HD21      ASN  93  -3.977  12.223  -6.151
  705    H    LYS  94           HN       LYS  94  -3.000  11.764  -3.754
  706    HA   LYS  94           HA       LYS  94  -3.678   9.150  -2.752
  707   1HB   LYS  94           HB2      LYS  94  -5.011  10.466  -1.084
  708   2HB   LYS  94           HB1      LYS  94  -3.319  10.932  -1.198
  709   1HG   LYS  94           HG2      LYS  94  -4.990  12.446  -3.095
  710   2HG   LYS  94           HG1      LYS  94  -5.551  12.653  -1.442
  711   1HD   LYS  94           HD2      LYS  94  -3.154  13.203  -0.808
  712   2HD   LYS  94           HD1      LYS  94  -2.790  13.226  -2.541
  713   1HE   LYS  94           HE2      LYS  94  -4.584  14.920  -2.858
  714   2HE   LYS  94           HE1      LYS  94  -4.852  14.928  -1.114
  715   1HZ   LYS  94           HZ1      LYS  94  -2.159  15.416  -2.202
  716   2HZ   LYS  94           HZ3      LYS  94  -3.294  16.675  -2.151
  717   3HZ   LYS  94           HZ2      LYS  94  -2.820  15.902  -0.715
  718    H    GLU  95           HN       GLU  95  -5.513  11.543  -4.617
  719    HA   GLU  95           HA       GLU  95  -8.099  10.408  -4.155
  720   1HB   GLU  95           HB2      GLU  95  -7.064  11.941  -6.559
  721   2HB   GLU  95           HB1      GLU  95  -8.761  11.625  -6.204
  722   1HG   GLU  95           HG2      GLU  95  -6.907  13.070  -4.300
  723   2HG   GLU  95           HG1      GLU  95  -7.952  13.898  -5.456
  724    H    LYS  96           HN       LYS  96  -5.487   9.616  -6.309
  725    HA   LYS  96           HA       LYS  96  -6.863   7.996  -8.182
  726   1HB   LYS  96           HB2      LYS  96  -4.475   8.803  -8.245
  727   2HB   LYS  96           HB1      LYS  96  -4.077   7.539  -7.099
  728   1HG   LYS  96           HG2      LYS  96  -4.601   5.811  -8.629
  729   2HG   LYS  96           HG1      LYS  96  -5.471   6.910  -9.701
  730   1HD   LYS  96           HD2      LYS  96  -3.375   8.085 -10.228
  731   2HD   LYS  96           HD1      LYS  96  -2.490   7.015  -9.142
  732   1HE   LYS  96           HE2      LYS  96  -3.051   5.080 -10.530
  733   2HE   LYS  96           HE1      LYS  96  -4.054   6.088 -11.571
  734   1HZ   LYS  96           HZ2      LYS  96  -1.931   7.451 -11.880
  735   2HZ   LYS  96           HZ1      LYS  96  -1.120   6.086 -11.278
  736   3HZ   LYS  96           HZ3      LYS  96  -2.048   5.965 -12.692
  737    H    LEU  97           HN       LEU  97  -5.660   7.335  -4.938
  738    HA   LEU  97           HA       LEU  97  -5.937   4.503  -4.904
  739   1HB   LEU  97           HB2      LEU  97  -6.316   6.606  -2.759
  740   2HB   LEU  97           HB1      LEU  97  -6.377   4.888  -2.418
  741    HG   LEU  97           HG       LEU  97  -4.021   6.260  -3.723
  742   1HD1  LEU  97          HD12      LEU  97  -4.628   5.628  -0.826
  743   2HD1  LEU  97          HD11      LEU  97  -2.991   5.918  -1.407
  744   3HD1  LEU  97          HD13      LEU  97  -4.205   7.189  -1.527
  745   1HD2  LEU  97          HD23      LEU  97  -4.600   3.467  -2.717
  746   2HD2  LEU  97          HD22      LEU  97  -3.822   3.965  -4.218
  747   3HD2  LEU  97          HD21      LEU  97  -2.954   4.080  -2.700
  748    H    GLU  98           HN       GLU  98  -8.193   7.126  -4.364
  749    HA   GLU  98           HA       GLU  98 -10.378   5.548  -3.433
  750   1HB   GLU  98           HB2      GLU  98 -10.270   8.028  -3.275
  751   2HB   GLU  98           HB1      GLU  98 -10.502   8.131  -5.019
  752   1HG   GLU  98           HG2      GLU  98 -12.640   8.463  -3.857
  753   2HG   GLU  98           HG1      GLU  98 -12.683   6.968  -4.790
  754    H    ALA  99           HN       ALA  99  -9.530   6.544  -6.754
  755    HA   ALA  99           HA       ALA  99 -11.872   5.348  -7.924
  756   1HB   ALA  99           HB3      ALA  99 -10.504   7.085  -9.053
  757   2HB   ALA  99           HB2      ALA  99  -9.201   5.911  -9.241
  758   3HB   ALA  99           HB1      ALA  99 -10.741   5.662 -10.067
  759    H    THR 100           HN       THR 100  -8.540   4.083  -7.561
  760    HA   THR 100           HA       THR 100  -9.069   1.665  -9.002
  761    HB   THR 100           HB       THR 100  -7.068   2.011  -6.756
  762    HG1  THR 100           HG1      THR 100  -6.141   2.278  -9.282
  763   1HG2  THR 100          HG22      THR 100  -7.261   0.191  -9.170
  764   2HG2  THR 100          HG21      THR 100  -5.819   0.341  -8.168
  765   3HG2  THR 100          HG23      THR 100  -7.314  -0.285  -7.474
  766    H    ILE 101           HN       ILE 101  -9.382   2.489  -5.566
  767    HA   ILE 101           HA       ILE 101 -10.038  -0.137  -4.608
  768    HB   ILE 101           HB       ILE 101 -10.832   2.639  -3.660
  769   1HG1  ILE 101          HG12      ILE 101  -8.939   0.676  -2.354
  770   2HG1  ILE 101          HG11      ILE 101  -8.388   1.770  -3.620
  771   1HG2  ILE 101          HG23      ILE 101 -11.375  -0.080  -2.455
  772   2HG2  ILE 101          HG22      ILE 101 -11.349   1.395  -1.486
  773   3HG2  ILE 101          HG21      ILE 101 -12.526   1.216  -2.788
  774   1HD1  ILE 101          HD12      ILE 101  -9.231   3.696  -2.293
  775   2HD1  ILE 101          HD11      ILE 101  -9.686   2.580  -1.005
  776   3HD1  ILE 101          HD13      ILE 101  -7.987   2.785  -1.435
  777    H    ASN 102           HN       ASN 102 -12.106   2.562  -5.704
  778    HA   ASN 102           HA       ASN 102 -14.597   1.185  -5.508
  779   1HB   ASN 102           HB2      ASN 102 -14.414   3.640  -5.862
  780   2HB   ASN 102           HB1      ASN 102 -13.794   3.344  -7.487
  781   1HD2  ASN 102          HD22      ASN 102 -17.749   3.398  -6.932
  782   2HD2  ASN 102          HD21      ASN 102 -16.630   3.992  -5.804
  783    H    GLU 103           HN       GLU 103 -12.122   1.317  -7.973
  784    HA   GLU 103           HA       GLU 103 -13.579   0.024 -10.068
  785   1HB   GLU 103           HB2      GLU 103 -11.384   1.333 -10.219
  786   2HB   GLU 103           HB1      GLU 103 -10.592  -0.108  -9.589
  787   1HG   GLU 103           HG2      GLU 103 -12.348  -0.156 -12.056
  788   2HG   GLU 103           HG1      GLU 103 -10.603   0.077 -12.121
  789    H    LEU 104           HN       LEU 104 -11.493  -1.219  -7.455
  790    HA   LEU 104           HA       LEU 104 -12.032  -4.009  -8.348
  791   1HB   LEU 104           HB2      LEU 104 -10.148  -2.891  -6.277
  792   2HB   LEU 104           HB1      LEU 104 -10.303  -4.600  -6.642
  793    HG   LEU 104           HG       LEU 104  -9.582  -2.485  -8.688
  794   1HD1  LEU 104          HD13      LEU 104  -7.818  -4.288  -7.019
  795   2HD1  LEU 104          HD12      LEU 104  -7.260  -3.445  -8.464
  796   3HD1  LEU 104          HD11      LEU 104  -7.810  -2.527  -7.064
  797   1HD2  LEU 104          HD23      LEU 104  -9.771  -5.499  -8.698
  798   2HD2  LEU 104          HD22      LEU 104 -10.351  -4.351  -9.900
  799   3HD2  LEU 104          HD21      LEU 104  -8.631  -4.696  -9.775
  800    H    VAL 105           HN       VAL 105 -13.468  -1.820  -6.231
  801    HA   VAL 105           HA       VAL 105 -13.863  -3.479  -3.923
  802    HB   VAL 105           HB       VAL 105 -14.385  -0.969  -4.148
  803   1HG1  VAL 105          HG12      VAL 105 -15.904  -1.515  -6.232
  804   2HG1  VAL 105          HG11      VAL 105 -17.136  -1.850  -5.017
  805   3HG1  VAL 105          HG13      VAL 105 -16.399  -0.251  -5.110
  806   1HG2  VAL 105          HG21      VAL 105 -14.990  -2.387  -2.184
  807   2HG2  VAL 105          HG23      VAL 105 -16.157  -1.095  -2.468
  808   3HG2  VAL 105          HG22      VAL 105 -16.536  -2.747  -2.954
  809    HA   PRO  59           HA       PRO 106  14.216  15.876 -13.747
  810   1HB   PRO  59           HB2      PRO 106  16.760  15.493 -12.197
  811   2HB   PRO  59           HB1      PRO 106  16.329  14.904 -13.817
  812   1HG   PRO  59           HG2      PRO 106  17.960  16.984 -13.507
  813   2HG   PRO  59           HG1      PRO 106  16.766  16.942 -14.820
  814   1HD   PRO  59           HD2      PRO 106  16.720  18.536 -12.285
  815   2HD   PRO  59           HD1      PRO 106  16.050  18.939 -13.882
  816    H    ALA  60           HN       ALA 107  14.978  16.872 -10.446
  817    HA   ALA  60           HA       ALA 107  13.907  14.343  -9.326
  818   1HB   ALA  60           HB1      ALA 107  15.100  16.829  -8.061
  819   2HB   ALA  60           HB3      ALA 107  14.477  15.467  -7.130
  820   3HB   ALA  60           HB2      ALA 107  15.856  15.242  -8.207
  821    H    THR  61           HN       THR 108  11.744  14.177  -8.939
  822    HA   THR  61           HA       THR 108  10.130  16.694  -8.672
  823    HB   THR  61           HB       THR 108   9.142  13.888  -9.263
  824    HG1  THR  61           HG1      THR 108  10.635  14.838 -10.836
  825   1HG2  THR  61          HG21      THR 108   7.552  15.671  -8.367
  826   2HG2  THR  61          HG23      THR 108   7.863  16.566  -9.853
  827   3HG2  THR  61          HG22      THR 108   7.113  14.971  -9.924
  828    H    LEU  62           HN       LEU 109   9.220  17.127  -6.733
  829    HA   LEU  62           HA       LEU 109   9.783  15.586  -4.398
  830   1HB   LEU  62           HB2      LEU 109   7.734  17.744  -4.950
  831   2HB   LEU  62           HB1      LEU 109   8.023  17.079  -3.345
  832    HG   LEU  62           HG       LEU 109  10.158  18.365  -5.077
  833   1HD1  LEU  62          HD13      LEU 109   8.416  19.975  -4.372
  834   2HD1  LEU  62          HD12      LEU 109   8.652  19.483  -2.694
  835   3HD1  LEU  62          HD11      LEU 109   9.954  20.293  -3.567
  836   1HD2  LEU  62          HD22      LEU 109  10.127  17.119  -2.335
  837   2HD2  LEU  62          HD21      LEU 109  11.364  17.037  -3.587
  838   3HD2  LEU  62          HD23      LEU 109  11.189  18.496  -2.619
  839    H    LYS  63           HN       LYS 110   7.112  15.553  -6.651
  840    HA   LYS  63           HA       LYS 110   5.174  14.160  -5.109
  841   1HB   LYS  63           HB2      LYS 110   5.755  13.955  -8.083
  842   2HB   LYS  63           HB1      LYS 110   4.250  13.472  -7.302
  843   1HG   LYS  63           HG2      LYS 110   5.379  16.290  -7.315
  844   2HG   LYS  63           HG1      LYS 110   4.088  15.716  -8.367
  845   1HD   LYS  63           HD2      LYS 110   2.874  15.059  -6.170
  846   2HD   LYS  63           HD1      LYS 110   4.036  16.119  -5.374
  847   1HE   LYS  63           HE2      LYS 110   2.232  16.951  -7.660
  848   2HE   LYS  63           HE1      LYS 110   1.931  17.301  -5.958
  849   1HZ   LYS  63           HZ1      LYS 110   4.513  18.093  -6.382
  850   2HZ   LYS  63           HZ3      LYS 110   3.701  18.595  -7.784
  851   3HZ   LYS  63           HZ2      LYS 110   3.157  19.109  -6.260
  852    H    ILE  64           HN       ILE 111   8.171  13.146  -6.462
  853    HA   ILE  64           HA       ILE 111   7.611  10.304  -5.665
  854    HB   ILE  64           HB       ILE 111   9.089  11.321  -8.116
  855   1HG1  ILE  64          HG12      ILE 111   6.662  11.193  -8.403
  856   2HG1  ILE  64          HG11      ILE 111   7.448   9.927  -9.339
  857   1HG2  ILE  64          HG21      ILE 111   9.001   8.578  -6.859
  858   2HG2  ILE  64          HG23      ILE 111   9.371   8.813  -8.567
  859   3HG2  ILE  64          HG22      ILE 111  10.416   9.517  -7.335
  860   1HD1  ILE  64          HD11      ILE 111   7.024   8.528  -7.078
  861   2HD1  ILE  64          HD13      ILE 111   5.722   9.703  -6.914
  862   3HD1  ILE  64          HD12      ILE 111   5.799   8.663  -8.335
  863    H    CYS  65           HN       CYS 112   9.319   9.339  -4.478
  864    HA   CYS  65           HA       CYS 112  11.629  11.110  -3.833
  865   1HB   CYS  65           HB2      CYS 112  11.077   8.437  -2.527
  866   2HB   CYS  65           HB1      CYS 112  12.013   9.786  -1.898
  867    H    SER  66           HN       SER 113  13.606  10.646  -4.771
  868    HA   SER  66           HA       SER 113  13.747   8.435  -6.666
  869   1HB   SER  66           HB2      SER 113  15.894  10.359  -5.728
  870   2HB   SER  66           HB1      SER 113  16.040   9.256  -7.095
  871    HG   SER  66           HG       SER 113  13.753  10.743  -7.155
  872    H    TRP  67           HN       TRP 114  14.908   6.522  -6.483
  873    HA   TRP  67           HA       TRP 114  15.545   5.604  -3.784
  874   1HB   TRP  67           HB2      TRP 114  15.830   4.333  -6.523
  875   2HB   TRP  67           HB1      TRP 114  16.311   3.517  -5.033
  876    HD1  TRP  67           HD1      TRP 114  13.202   5.484  -6.215
  877    HE1  TRP  67           HE1      TRP 114  11.102   4.234  -5.393
  878    HE3  TRP  67           HE3      TRP 114  15.373   1.550  -3.810
  879    HZ2  TRP  67           HZ2      TRP 114  10.457   1.902  -3.884
  880    HZ3  TRP  67           HZ3      TRP 114  14.002  -0.168  -2.693
  881    HH2  TRP  67           HH2      TRP 114  11.537   0.000  -2.741
  882    H    ASN  68           HN       ASN 115  17.197   7.307  -6.200
  883    HA   ASN  68           HA       ASN 115  19.840   6.347  -6.064
  884   1HB   ASN  68           HB2      ASN 115  18.810   9.201  -6.237
  885   2HB   ASN  68           HB1      ASN 115  20.502   8.754  -6.469
  886   1HD2  ASN  68          HD22      ASN 115  18.515   6.627  -9.227
  887   2HD2  ASN  68          HD21      ASN 115  18.535   6.224  -7.578
  888    H    VAL  69           HN       VAL 116  17.879   7.538  -3.564
  889    HA   VAL  69           HA       VAL 116  19.808   8.849  -1.917
  890    HB   VAL  69           HB       VAL 116  18.274   8.156  -0.019
  891   1HG1  VAL  69          HG12      VAL 116  17.982  10.214  -1.517
  892   2HG1  VAL  69          HG11      VAL 116  16.761   9.283  -2.384
  893   3HG1  VAL  69          HG13      VAL 116  16.537   9.657  -0.676
  894   1HG2  VAL  69          HG23      VAL 116  17.571   6.003  -1.185
  895   2HG2  VAL  69          HG22      VAL 116  16.244   6.957  -0.527
  896   3HG2  VAL  69          HG21      VAL 116  16.587   6.998  -2.253
  897    H    ASP  70           HN       ASP 117  21.294   8.050  -0.459
  898    HA   ASP  70           HA       ASP 117  22.424   5.485  -0.916
  899   1HB   ASP  70           HB2      ASP 117  22.676   7.391   1.427
  900   2HB   ASP  70           HB1      ASP 117  23.633   5.916   1.274
  901    H    GLY  71           HN       GLY 118  20.130   6.601   1.559
  902   1HA   GLY  71           HA2      GLY 118  18.742   5.354   2.983
  903   2HA   GLY  71           HA1      GLY 118  18.961   4.005   1.865
   
  No H/Q in entry =         903
  Start of MODEL   16
    1   1H    MET   1           HT2      MET   1  -8.609  -1.971   7.819
    2   2H    MET   1           HT1      MET   1  -8.551  -3.280   8.901
    3   3H    MET   1           HT3      MET   1  -9.739  -2.082   9.083
    4    HA   MET   1           HA       MET   1  -8.270  -0.524   9.905
    5   1HB   MET   1           HB2      MET   1  -7.209  -3.233  10.779
    6   2HB   MET   1           HB1      MET   1  -6.907  -1.708  11.611
    7   1HG   MET   1           HG2      MET   1  -9.666  -2.855  11.111
    8   2HG   MET   1           HG1      MET   1  -8.779  -3.024  12.625
    9   1HE   MET   1           HE2      MET   1 -10.386  -2.061  14.107
   10   2HE   MET   1           HE1      MET   1 -11.222  -0.518  13.951
   11   3HE   MET   1           HE3      MET   1 -11.591  -1.845  12.840
   12    H    VAL   2           HN       VAL   2  -5.727  -0.354  10.545
   13    HA   VAL   2           HA       VAL   2  -4.277  -0.507   7.936
   14    HB   VAL   2           HB       VAL   2  -3.747   1.013  10.507
   15   1HG1  VAL   2          HG13      VAL   2  -2.139   0.737   7.961
   16   2HG1  VAL   2          HG12      VAL   2  -1.960   2.121   9.039
   17   3HG1  VAL   2          HG11      VAL   2  -1.595   0.498   9.621
   18   1HG2  VAL   2          HG22      VAL   2  -5.599   1.749   8.910
   19   2HG2  VAL   2          HG21      VAL   2  -4.347   2.948   9.228
   20   3HG2  VAL   2          HG23      VAL   2  -4.332   2.038   7.719
   21    H    LYS   3           HN       LYS   3  -2.444  -1.812   7.719
   22    HA   LYS   3           HA       LYS   3  -1.418  -3.229  10.160
   23   1HB   LYS   3           HB2      LYS   3  -2.933  -4.668   8.726
   24   2HB   LYS   3           HB1      LYS   3  -1.790  -4.450   7.405
   25   1HG   LYS   3           HG2      LYS   3  -1.031  -6.463   8.306
   26   2HG   LYS   3           HG1      LYS   3  -0.022  -5.314   9.178
   27   1HD   LYS   3           HD2      LYS   3  -1.651  -5.352  11.063
   28   2HD   LYS   3           HD1      LYS   3  -2.600  -6.553  10.188
   29   1HE   LYS   3           HE2      LYS   3  -0.698  -8.105  10.210
   30   2HE   LYS   3           HE1      LYS   3   0.294  -6.900  11.030
   31   1HZ   LYS   3           HZ2      LYS   3  -1.436  -6.919  12.824
   32   2HZ   LYS   3           HZ1      LYS   3  -2.108  -8.287  12.072
   33   3HZ   LYS   3           HZ3      LYS   3  -0.526  -8.347  12.680
   34    H    GLN   4           HN       GLN   4   0.786  -3.018  10.337
   35    HA   GLN   4           HA       GLN   4   2.285  -1.905   8.004
   36   1HB   GLN   4           HB2      GLN   4   2.506  -0.742  10.189
   37   2HB   GLN   4           HB1      GLN   4   3.121  -2.227  10.911
   38   1HG   GLN   4           HG2      GLN   4   5.010  -2.197   9.260
   39   2HG   GLN   4           HG1      GLN   4   4.411  -0.649   8.661
   40   1HE2  GLN   4          HE22      GLN   4   6.771   0.601  11.067
   41   2HE2  GLN   4          HE21      GLN   4   6.593   0.200   9.427
   42    H    ILE   5           HN       ILE   5   3.421  -3.339   6.788
   43    HA   ILE   5           HA       ILE   5   4.043  -6.036   7.913
   44    HB   ILE   5           HB       ILE   5   4.291  -5.029   5.071
   45   1HG1  ILE   5          HG12      ILE   5   1.961  -4.837   5.677
   46   2HG1  ILE   5          HG11      ILE   5   2.140  -6.301   4.711
   47   1HG2  ILE   5          HG23      ILE   5   4.379  -7.747   6.378
   48   2HG2  ILE   5          HG22      ILE   5   4.090  -7.530   4.661
   49   3HG2  ILE   5          HG21      ILE   5   5.602  -6.981   5.363
   50   1HD1  ILE   5          HD11      ILE   5   2.430  -7.513   6.995
   51   2HD1  ILE   5          HD13      ILE   5   1.721  -6.052   7.686
   52   3HD1  ILE   5          HD12      ILE   5   0.810  -7.007   6.521
   53    H    GLU   6           HN       GLU   6   6.053  -6.102   8.845
   54    HA   GLU   6           HA       GLU   6   8.193  -4.346   7.755
   55   1HB   GLU   6           HB2      GLU   6   8.144  -6.087  10.237
   56   2HB   GLU   6           HB1      GLU   6   9.432  -4.969   9.784
   57   1HG   GLU   6           HG2      GLU   6   6.563  -4.091  10.183
   58   2HG   GLU   6           HG1      GLU   6   7.766  -4.060  11.470
   59    H    SER   7           HN       SER   7   7.057  -7.409   7.119
   60    HA   SER   7           HA       SER   7   9.677  -8.172   5.969
   61   1HB   SER   7           HB2      SER   7   9.650 -10.412   7.013
   62   2HB   SER   7           HB1      SER   7   9.776  -9.139   8.231
   63    HG   SER   7           HG       SER   7   8.118 -10.225   9.015
   64    H    LYS   8           HN       LYS   8   9.501  -9.903   4.413
   65    HA   LYS   8           HA       LYS   8   7.056  -9.896   2.896
   66   1HB   LYS   8           HB2      LYS   8   9.405 -10.422   2.024
   67   2HB   LYS   8           HB1      LYS   8   9.204 -12.016   2.754
   68   1HG   LYS   8           HG2      LYS   8   6.973 -12.127   1.452
   69   2HG   LYS   8           HG1      LYS   8   7.604 -10.768   0.523
   70   1HD   LYS   8           HD2      LYS   8   9.094 -13.384   0.878
   71   2HD   LYS   8           HD1      LYS   8   8.059 -13.027  -0.502
   72   1HE   LYS   8           HE2      LYS   8   9.446 -10.977  -0.926
   73   2HE   LYS   8           HE1      LYS   8  10.553 -11.528   0.331
   74   1HZ   LYS   8           HZ3      LYS   8  10.192 -13.717  -1.250
   75   2HZ   LYS   8           HZ2      LYS   8  10.268 -12.438  -2.365
   76   3HZ   LYS   8           HZ1      LYS   8  11.541 -12.688  -1.267
   77    H    THR   9           HN       THR   9   8.420 -11.968   5.362
   78    HA   THR   9           HA       THR   9   6.760 -14.231   5.075
   79    HB   THR   9           HB       THR   9   7.722 -12.988   7.665
   80    HG1  THR   9           HG1      THR   9   9.013 -15.136   6.496
   81   1HG2  THR   9          HG23      THR   9   6.732 -15.744   6.924
   82   2HG2  THR   9          HG22      THR   9   7.664 -15.430   8.387
   83   3HG2  THR   9          HG21      THR   9   6.093 -14.661   8.160
   84    H    ALA  10           HN       ALA  10   6.224 -11.283   6.977
   85    HA   ALA  10           HA       ALA  10   3.556 -12.056   7.778
   86   1HB   ALA  10           HB3      ALA  10   5.098  -9.457   7.805
   87   2HB   ALA  10           HB2      ALA  10   3.400  -9.516   8.281
   88   3HB   ALA  10           HB1      ALA  10   4.601 -10.448   9.176
   89    H    PHE  11           HN       PHE  11   4.934 -10.392   5.011
   90    HA   PHE  11           HA       PHE  11   2.580  -9.128   4.011
   91   1HB   PHE  11           HB2      PHE  11   4.964  -8.908   3.111
   92   2HB   PHE  11           HB1      PHE  11   4.737 -10.465   2.341
   93    HD1  PHE  11           HD1      PHE  11   2.937  -7.181   2.676
   94    HD2  PHE  11           HD2      PHE  11   3.983 -10.478   0.130
   95    HE1  PHE  11           HE1      PHE  11   1.808  -6.072   0.773
   96    HE2  PHE  11           HE2      PHE  11   2.850  -9.368  -1.771
   97    HZ   PHE  11           HZ       PHE  11   1.760  -7.167  -1.448
   98    H    GLN  12           HN       GLN  12   3.877 -12.384   3.508
   99    HA   GLN  12           HA       GLN  12   1.806 -13.277   1.726
  100   1HB   GLN  12           HB2      GLN  12   3.576 -14.803   3.674
  101   2HB   GLN  12           HB1      GLN  12   2.613 -15.549   2.400
  102   1HG   GLN  12           HG2      GLN  12   4.778 -13.472   1.941
  103   2HG   GLN  12           HG1      GLN  12   4.989 -15.210   1.725
  104   1HE2  GLN  12          HE22      GLN  12   2.384 -15.070  -1.001
  105   2HE2  GLN  12          HE21      GLN  12   2.428 -15.801   0.530
  106    H    GLU  13           HN       GLU  13   2.246 -13.502   5.246
  107    HA   GLU  13           HA       GLU  13  -0.149 -14.965   5.815
  108   1HB   GLU  13           HB2      GLU  13   1.457 -13.008   7.493
  109   2HB   GLU  13           HB1      GLU  13   0.177 -14.019   8.138
  110   1HG   GLU  13           HG2      GLU  13   2.643 -15.078   6.727
  111   2HG   GLU  13           HG1      GLU  13   2.458 -14.993   8.478
  112    H    ALA  14           HN       ALA  14   0.502 -11.516   5.471
  113    HA   ALA  14           HA       ALA  14  -2.054 -10.627   6.439
  114   1HB   ALA  14           HB3      ALA  14  -0.071  -9.148   6.218
  115   2HB   ALA  14           HB2      ALA  14  -0.187  -9.285   4.464
  116   3HB   ALA  14           HB1      ALA  14  -1.477  -8.499   5.375
  117    H    LEU  15           HN       LEU  15  -0.803 -11.331   3.187
  118    HA   LEU  15           HA       LEU  15  -3.136 -10.581   1.757
  119   1HB   LEU  15           HB2      LEU  15  -0.987 -12.629   1.188
  120   2HB   LEU  15           HB1      LEU  15  -2.246 -12.214   0.028
  121    HG   LEU  15           HG       LEU  15  -0.437 -10.146   1.300
  122   1HD1  LEU  15          HD11      LEU  15  -0.047 -11.831  -1.171
  123   2HD1  LEU  15          HD13      LEU  15   0.668 -10.224  -1.052
  124   3HD1  LEU  15          HD12      LEU  15   1.104 -11.469   0.116
  125   1HD2  LEU  15          HD22      LEU  15  -2.491 -10.138  -0.910
  126   2HD2  LEU  15          HD21      LEU  15  -2.229  -8.963   0.378
  127   3HD2  LEU  15          HD23      LEU  15  -1.135  -9.015  -1.002
  128    H    ASP  16           HN       ASP  16  -2.195 -13.639   3.291
  129    HA   ASP  16           HA       ASP  16  -4.471 -15.112   2.345
  130   1HB   ASP  16           HB2      ASP  16  -2.322 -16.101   3.273
  131   2HB   ASP  16           HB1      ASP  16  -2.928 -15.682   4.879
  132    H    ALA  17           HN       ALA  17  -3.900 -13.089   5.175
  133    HA   ALA  17           HA       ALA  17  -6.233 -13.919   6.641
  134   1HB   ALA  17           HB1      ALA  17  -4.616 -11.356   6.704
  135   2HB   ALA  17           HB3      ALA  17  -5.912 -11.722   7.842
  136   3HB   ALA  17           HB2      ALA  17  -4.470 -12.733   7.796
  137    H    ALA  18           HN       ALA  18  -5.629 -11.362   4.279
  138    HA   ALA  18           HA       ALA  18  -8.158 -10.056   4.463
  139   1HB   ALA  18           HB3      ALA  18  -6.114 -10.347   2.263
  140   2HB   ALA  18           HB2      ALA  18  -7.600  -9.426   2.020
  141   3HB   ALA  18           HB1      ALA  18  -6.449  -8.932   3.262
  142    H    GLY  19           HN       GLY  19  -7.085 -12.897   2.637
  143   1HA   GLY  19           HA2      GLY  19  -8.353 -14.583   1.603
  144   2HA   GLY  19           HA1      GLY  19  -9.770 -13.922   2.420
  145    H    ASP  20           HN       ASP  20 -11.300 -13.321   0.967
  146    HA   ASP  20           HA       ASP  20 -10.509 -12.582  -1.784
  147   1HB   ASP  20           HB2      ASP  20 -13.251 -12.936  -0.542
  148   2HB   ASP  20           HB1      ASP  20 -12.924 -12.683  -2.257
  149    H    LYS  21           HN       LYS  21 -10.700 -10.895   1.006
  150    HA   LYS  21           HA       LYS  21 -12.303  -8.626   0.125
  151   1HB   LYS  21           HB2      LYS  21 -10.310  -8.969   2.382
  152   2HB   LYS  21           HB1      LYS  21 -11.257  -7.507   2.118
  153   1HG   LYS  21           HG2      LYS  21 -13.339  -8.948   2.208
  154   2HG   LYS  21           HG1      LYS  21 -12.309 -10.285   2.709
  155   1HD   LYS  21           HD2      LYS  21 -13.012  -9.435   4.773
  156   2HD   LYS  21           HD1      LYS  21 -11.471  -8.612   4.557
  157   1HE   LYS  21           HE2      LYS  21 -12.611  -6.618   3.726
  158   2HE   LYS  21           HE1      LYS  21 -14.166  -7.441   3.796
  159   1HZ   LYS  21           HZ3      LYS  21 -12.922  -7.692   6.286
  160   2HZ   LYS  21           HZ2      LYS  21 -12.837  -6.057   5.830
  161   3HZ   LYS  21           HZ1      LYS  21 -14.340  -6.845   5.901
  162    H    LEU  22           HN       LEU  22 -11.495  -6.574  -0.585
  163    HA   LEU  22           HA       LEU  22  -9.252  -6.666  -2.317
  164   1HB   LEU  22           HB2      LEU  22 -11.321  -4.884  -1.854
  165   2HB   LEU  22           HB1      LEU  22  -9.948  -3.995  -1.214
  166    HG   LEU  22           HG       LEU  22 -10.229  -5.099  -4.013
  167   1HD1  LEU  22          HD13      LEU  22 -10.744  -2.466  -2.757
  168   2HD1  LEU  22          HD12      LEU  22  -9.694  -2.367  -4.167
  169   3HD1  LEU  22          HD11      LEU  22 -11.286  -3.104  -4.305
  170   1HD2  LEU  22          HD22      LEU  22  -7.882  -3.895  -2.545
  171   2HD2  LEU  22          HD21      LEU  22  -7.919  -5.319  -3.587
  172   3HD2  LEU  22          HD23      LEU  22  -8.031  -3.711  -4.288
  173    H    VAL  23           HN       VAL  23  -7.137  -5.643  -2.022
  174    HA   VAL  23           HA       VAL  23  -6.351  -4.966   0.754
  175    HB   VAL  23           HB       VAL  23  -4.862  -6.997  -0.946
  176   1HG1  VAL  23          HG12      VAL  23  -4.365  -5.733   1.751
  177   2HG1  VAL  23          HG11      VAL  23  -3.635  -7.276   1.307
  178   3HG1  VAL  23          HG13      VAL  23  -3.278  -5.828   0.366
  179   1HG2  VAL  23          HG21      VAL  23  -6.583  -7.337   1.524
  180   2HG2  VAL  23          HG23      VAL  23  -6.864  -8.038  -0.068
  181   3HG2  VAL  23          HG22      VAL  23  -5.494  -8.573   0.904
  182    H    VAL  24           HN       VAL  24  -5.311  -3.069   0.578
  183    HA   VAL  24           HA       VAL  24  -3.925  -2.419  -1.995
  184    HB   VAL  24           HB       VAL  24  -4.872  -0.559   0.213
  185   1HG1  VAL  24          HG11      VAL  24  -2.966   0.252  -1.213
  186   2HG1  VAL  24          HG13      VAL  24  -3.995   0.040  -2.630
  187   3HG1  VAL  24          HG12      VAL  24  -4.433   1.215  -1.389
  188   1HG2  VAL  24          HG21      VAL  24  -6.118  -1.422  -2.401
  189   2HG2  VAL  24          HG23      VAL  24  -6.821  -1.506  -0.787
  190   3HG2  VAL  24          HG22      VAL  24  -6.595   0.058  -1.570
  191    H    VAL  25           HN       VAL  25  -1.716  -1.894  -1.912
  192    HA   VAL  25           HA       VAL  25  -0.419  -1.973   0.802
  193    HB   VAL  25           HB       VAL  25   0.743  -3.009  -1.800
  194   1HG1  VAL  25          HG13      VAL  25   1.672  -3.129   1.074
  195   2HG1  VAL  25          HG12      VAL  25   2.458  -3.958  -0.267
  196   3HG1  VAL  25          HG11      VAL  25   2.423  -2.194  -0.219
  197   1HG2  VAL  25          HG21      VAL  25  -1.211  -4.337  -0.787
  198   2HG2  VAL  25          HG23      VAL  25   0.299  -5.219  -1.016
  199   3HG2  VAL  25          HG22      VAL  25  -0.150  -4.640   0.587
  200    H    ASP  26           HN       ASP  26   0.489  -0.070   1.264
  201    HA   ASP  26           HA       ASP  26   1.192   1.802  -0.948
  202   1HB   ASP  26           HB2      ASP  26  -0.201   2.672   0.880
  203   2HB   ASP  26           HB1      ASP  26   1.040   2.222   2.052
  204    H    PHE  27           HN       PHE  27   3.276   1.475  -1.680
  205    HA   PHE  27           HA       PHE  27   5.425   0.753   0.262
  206   1HB   PHE  27           HB2      PHE  27   5.397   1.143  -2.756
  207   2HB   PHE  27           HB1      PHE  27   6.879   0.888  -1.840
  208    HD1  PHE  27           HD1      PHE  27   7.340  -1.262  -0.764
  209    HD2  PHE  27           HD2      PHE  27   3.792  -0.646  -3.105
  210    HE1  PHE  27           HE1      PHE  27   6.998  -3.712  -0.887
  211    HE2  PHE  27           HE2      PHE  27   3.451  -3.099  -3.216
  212    HZ   PHE  27           HZ       PHE  27   5.050  -4.632  -2.115
  213    H    SER  28           HN       SER  28   5.855   2.569   1.445
  214    HA   SER  28           HA       SER  28   6.598   5.060  -0.061
  215   1HB   SER  28           HB2      SER  28   5.131   4.870   2.589
  216   2HB   SER  28           HB1      SER  28   5.677   6.359   1.824
  217    HG   SER  28           HG       SER  28   3.987   4.490   0.526
  218    H    ALA  29           HN       ALA  29   8.347   6.212   0.856
  219    HA   ALA  29           HA       ALA  29  10.111   4.542   2.545
  220   1HB   ALA  29           HB3      ALA  29  10.409   7.030   0.879
  221   2HB   ALA  29           HB2      ALA  29  11.571   6.753   2.175
  222   3HB   ALA  29           HB1      ALA  29  11.397   5.571   0.877
  223    H    THR  30           HN       THR  30   9.993   4.776   4.746
  224    HA   THR  30           HA       THR  30   8.386   6.841   5.934
  225    HB   THR  30           HB       THR  30   8.799   4.703   7.088
  226    HG1  THR  30           HG1      THR  30   9.560   7.130   8.236
  227   1HG2  THR  30          HG22      THR  30  11.187   4.523   6.243
  228   2HG2  THR  30          HG21      THR  30  11.635   5.660   7.514
  229   3HG2  THR  30          HG23      THR  30  10.948   4.091   7.936
  230    H    TRP  31           HN       TRP  31  11.809   6.537   5.155
  231    HA   TRP  31           HA       TRP  31  12.650   8.879   6.662
  232   1HB   TRP  31           HB2      TRP  31  14.713   8.748   5.369
  233   2HB   TRP  31           HB1      TRP  31  14.236   7.136   5.901
  234    HD1  TRP  31           HD1      TRP  31  13.732   5.384   4.127
  235    HE1  TRP  31           HE1      TRP  31  13.817   5.316   1.555
  236    HE3  TRP  31           HE3      TRP  31  14.205  10.364   3.150
  237    HZ2  TRP  31           HZ2      TRP  31  14.018   7.145  -0.631
  238    HZ3  TRP  31           HZ3      TRP  31  14.317  11.176   0.813
  239    HH2  TRP  31           HH2      TRP  31  14.224   9.575  -1.076
  240    H    CYS  32           HN       CYS  32  11.140   8.474   3.528
  241    HA   CYS  32           HA       CYS  32  11.935  11.164   2.624
  242   1HB   CYS  32           HB2      CYS  32  11.498   9.070   1.143
  243   2HB   CYS  32           HB1      CYS  32   9.794   9.440   1.358
  244    H    GLY  33           HN       GLY  33  10.980  12.889   3.482
  245   1HA   GLY  33           HA2      GLY  33   8.678  12.865   5.119
  246   2HA   GLY  33           HA1      GLY  33   9.364  14.306   4.381
  247    HA   PRO  34           HA       PRO  34   6.247  14.746   1.286
  248   1HB   PRO  34           HB2      PRO  34   7.618  13.163  -0.840
  249   2HB   PRO  34           HB1      PRO  34   7.050  14.841  -0.875
  250   1HG   PRO  34           HG2      PRO  34   9.690  14.189  -0.685
  251   2HG   PRO  34           HG1      PRO  34   9.017  15.669   0.017
  252   1HD   PRO  34           HD2      PRO  34   9.956  13.209   1.393
  253   2HD   PRO  34           HD1      PRO  34   9.803  14.861   2.036
  254    H    ALA  35           HN       ALA  35   7.525  11.412   1.251
  255    HA   ALA  35           HA       ALA  35   5.002  10.276   0.332
  256   1HB   ALA  35           HB1      ALA  35   7.422   9.290   0.145
  257   2HB   ALA  35           HB3      ALA  35   7.115   8.680   1.771
  258   3HB   ALA  35           HB2      ALA  35   6.070   8.195   0.434
  259    H    LYS  36           HN       LYS  36   6.694  10.393   3.472
  260    HA   LYS  36           HA       LYS  36   4.689   9.044   4.982
  261   1HB   LYS  36           HB2      LYS  36   7.025   9.621   5.759
  262   2HB   LYS  36           HB1      LYS  36   6.472  11.282   5.962
  263   1HG   LYS  36           HG2      LYS  36   4.683  10.463   7.500
  264   2HG   LYS  36           HG1      LYS  36   5.340   8.836   7.351
  265   1HD   LYS  36           HD2      LYS  36   6.360   9.609   9.318
  266   2HD   LYS  36           HD1      LYS  36   7.594   9.922   8.102
  267   1HE   LYS  36           HE2      LYS  36   6.973  12.263   7.984
  268   2HE   LYS  36           HE1      LYS  36   5.570  11.991   9.019
  269   1HZ   LYS  36           HZ1      LYS  36   7.690  10.982  10.419
  270   2HZ   LYS  36           HZ3      LYS  36   8.297  12.409   9.733
  271   3HZ   LYS  36           HZ2      LYS  36   6.905  12.461  10.707
  272    H    MET  37           HN       MET  37   5.042  12.401   3.996
  273    HA   MET  37           HA       MET  37   3.023  13.574   5.610
  274   1HB   MET  37           HB2      MET  37   4.710  14.776   4.156
  275   2HB   MET  37           HB1      MET  37   3.717  14.351   2.766
  276   1HG   MET  37           HG2      MET  37   2.559  15.811   5.144
  277   2HG   MET  37           HG1      MET  37   3.329  16.673   3.816
  278   1HE   MET  37           HE2      MET  37   2.917  16.203   1.467
  279   2HE   MET  37           HE1      MET  37   1.304  16.081   0.769
  280   3HE   MET  37           HE3      MET  37   1.761  17.510   1.706
  281    H    ILE  38           HN       ILE  38   2.809  11.661   2.687
  282    HA   ILE  38           HA       ILE  38   0.008  12.343   2.204
  283    HB   ILE  38           HB       ILE  38   1.762  10.187   0.982
  284   1HG1  ILE  38          HG12      ILE  38   0.946  12.854  -0.200
  285   2HG1  ILE  38          HG11      ILE  38   2.434  12.657   0.724
  286   1HG2  ILE  38          HG22      ILE  38  -1.022  11.186   0.387
  287   2HG2  ILE  38          HG21      ILE  38  -0.016  10.523  -0.903
  288   3HG2  ILE  38          HG23      ILE  38  -0.437   9.525   0.486
  289   1HD1  ILE  38          HD11      ILE  38   3.060  10.786  -0.838
  290   2HD1  ILE  38          HD13      ILE  38   1.670  11.227  -1.825
  291   3HD1  ILE  38          HD12      ILE  38   2.991  12.373  -1.594
  292    H    LYS  39           HN       LYS  39   1.434  10.402   4.509
  293    HA   LYS  39           HA       LYS  39  -0.111   8.041   4.313
  294   1HB   LYS  39           HB2      LYS  39   0.580   7.450   6.465
  295   2HB   LYS  39           HB1      LYS  39   1.897   8.414   5.824
  296   1HG   LYS  39           HG2      LYS  39   1.396  10.252   7.219
  297   2HG   LYS  39           HG1      LYS  39  -0.241   9.707   7.548
  298   1HD   LYS  39           HD2      LYS  39   2.264   8.276   8.465
  299   2HD   LYS  39           HD1      LYS  39   1.325   9.384   9.461
  300   1HE   LYS  39           HE2      LYS  39   0.273   7.449  10.120
  301   2HE   LYS  39           HE1      LYS  39  -0.655   7.693   8.643
  302   1HZ   LYS  39           HZ1      LYS  39   1.615   6.440   7.809
  303   2HZ   LYS  39           HZ3      LYS  39   1.258   5.667   9.276
  304   3HZ   LYS  39           HZ2      LYS  39   0.096   5.711   8.035
  305    HA   PRO  40           HA       PRO  40  -3.339  10.215   7.274
  306   1HB   PRO  40           HB2      PRO  40  -3.717  12.680   5.634
  307   2HB   PRO  40           HB1      PRO  40  -3.707  12.492   7.398
  308   1HG   PRO  40           HG2      PRO  40  -1.656  13.655   6.130
  309   2HG   PRO  40           HG1      PRO  40  -1.381  12.598   7.524
  310   1HD   PRO  40           HD2      PRO  40  -1.004  12.010   4.617
  311   2HD   PRO  40           HD1      PRO  40  -0.003  11.489   5.989
  312    H    PHE  41           HN       PHE  41  -3.381  10.881   3.732
  313    HA   PHE  41           HA       PHE  41  -6.217  10.361   3.508
  314   1HB   PHE  41           HB2      PHE  41  -3.924  10.369   1.536
  315   2HB   PHE  41           HB1      PHE  41  -5.560   9.944   1.052
  316    HD1  PHE  41           HD2      PHE  41  -3.556  12.609   2.693
  317    HD2  PHE  41           HD1      PHE  41  -7.171  11.600   0.613
  318    HE1  PHE  41           HE2      PHE  41  -4.138  15.015   2.543
  319    HE2  PHE  41           HE1      PHE  41  -7.759  14.006   0.465
  320    HZ   PHE  41           HZ       PHE  41  -6.240  15.713   1.428
  321    H    PHE  42           HN       PHE  42  -3.341   8.389   2.806
  322    HA   PHE  42           HA       PHE  42  -4.713   5.989   2.108
  323   1HB   PHE  42           HB2      PHE  42  -2.319   6.396   1.660
  324   2HB   PHE  42           HB1      PHE  42  -1.985   6.379   3.398
  325    HD1  PHE  42           HD1      PHE  42  -3.262   4.310   0.574
  326    HD2  PHE  42           HD2      PHE  42  -1.686   4.328   4.572
  327    HE1  PHE  42           HE1      PHE  42  -3.071   1.838   0.512
  328    HE2  PHE  42           HE2      PHE  42  -1.495   1.855   4.508
  329    HZ   PHE  42           HZ       PHE  42  -2.188   0.609   2.479
  330    H    HIS  43           HN       HIS  43  -3.303   7.014   5.208
  331    HA   HIS  43           HA       HIS  43  -4.237   4.766   6.722
  332   1HB   HIS  43           HB2      HIS  43  -2.375   6.202   7.445
  333   2HB   HIS  43           HB1      HIS  43  -3.477   7.567   7.616
  334    HD1  HIS  43           HD1      HIS  43  -2.334   4.470   9.316
  335    HD2  HIS  43           HD2      HIS  43  -5.332   7.314   9.799
  336    HE1  HIS  43           HE1      HIS  43  -3.354   4.051  11.598
  337    H    SER  44           HN       SER  44  -5.616   8.014   6.180
  338    HA   SER  44           HA       SER  44  -7.779   7.721   8.018
  339   1HB   SER  44           HB2      SER  44  -7.587   9.409   5.514
  340   2HB   SER  44           HB1      SER  44  -8.876   9.537   6.702
  341    HG   SER  44           HG       SER  44  -7.328  10.073   8.255
  342    H    LEU  45           HN       LEU  45  -7.479   6.861   4.594
  343    HA   LEU  45           HA       LEU  45 -10.202   6.209   4.121
  344   1HB   LEU  45           HB2      LEU  45  -7.656   5.211   2.874
  345   2HB   LEU  45           HB1      LEU  45  -9.238   4.741   2.280
  346    HG   LEU  45           HG       LEU  45  -8.566   7.666   2.651
  347   1HD1  LEU  45          HD12      LEU  45  -7.964   5.961   0.214
  348   2HD1  LEU  45          HD11      LEU  45  -7.876   7.722   0.268
  349   3HD1  LEU  45          HD13      LEU  45  -6.774   6.753   1.246
  350   1HD2  LEU  45          HD23      LEU  45 -10.484   6.098   0.895
  351   2HD2  LEU  45          HD22      LEU  45 -10.898   7.211   2.198
  352   3HD2  LEU  45          HD21      LEU  45 -10.190   7.824   0.709
  353    H    SER  46           HN       SER  46  -7.756   4.429   5.845
  354    HA   SER  46           HA       SER  46  -8.759   1.808   5.530
  355   1HB   SER  46           HB2      SER  46  -7.564   3.063   8.022
  356   2HB   SER  46           HB1      SER  46  -7.752   1.334   7.747
  357    HG   SER  46           HG       SER  46  -5.908   1.468   6.763
  358    H    GLU  47           HN       GLU  47  -9.866   4.465   7.572
  359    HA   GLU  47           HA       GLU  47 -11.989   2.764   8.734
  360   1HB   GLU  47           HB2      GLU  47 -11.252   5.687   9.092
  361   2HB   GLU  47           HB1      GLU  47 -12.640   4.937   9.874
  362   1HG   GLU  47           HG2      GLU  47  -9.783   3.962  10.170
  363   2HG   GLU  47           HG1      GLU  47 -10.604   5.006  11.332
  364    H    LYS  48           HN       LYS  48 -11.529   4.808   5.980
  365    HA   LYS  48           HA       LYS  48 -14.359   5.556   5.779
  366   1HB   LYS  48           HB2      LYS  48 -12.367   6.844   4.733
  367   2HB   LYS  48           HB1      LYS  48 -12.363   5.585   3.501
  368   1HG   LYS  48           HG2      LYS  48 -15.093   6.545   3.885
  369   2HG   LYS  48           HG1      LYS  48 -14.027   7.910   3.583
  370   1HD   LYS  48           HD2      LYS  48 -13.155   6.673   1.578
  371   2HD   LYS  48           HD1      LYS  48 -14.404   5.464   1.874
  372   1HE   LYS  48           HE2      LYS  48 -16.130   7.250   1.735
  373   2HE   LYS  48           HE1      LYS  48 -14.860   8.400   1.313
  374   1HZ   LYS  48           HZ2      LYS  48 -14.304   6.990  -0.591
  375   2HZ   LYS  48           HZ1      LYS  48 -15.595   5.955  -0.202
  376   3HZ   LYS  48           HZ3      LYS  48 -15.905   7.557  -0.670
  377    H    TYR  49           HN       TYR  49 -12.172   3.104   4.620
  378    HA   TYR  49           HA       TYR  49 -14.497   1.561   3.484
  379   1HB   TYR  49           HB2      TYR  49 -11.605   1.691   2.577
  380   2HB   TYR  49           HB1      TYR  49 -12.711   0.418   2.069
  381    HD1  TYR  49           HD2      TYR  49 -14.817   1.043   0.833
  382    HD2  TYR  49           HD1      TYR  49 -11.648   3.837   1.571
  383    HE1  TYR  49           HE2      TYR  49 -15.711   2.523  -0.941
  384    HE2  TYR  49           HE1      TYR  49 -12.535   5.313  -0.200
  385    HH   TYR  49           HH       TYR  49 -14.135   5.630  -1.701
  386    H    SER  50           HN       SER  50 -14.371   1.169   5.991
  387    HA   SER  50           HA       SER  50 -12.284  -0.413   7.096
  388   1HB   SER  50           HB2      SER  50 -13.828  -0.879   8.880
  389   2HB   SER  50           HB1      SER  50 -14.136   0.767   8.355
  390    HG   SER  50           HG       SER  50 -15.808  -1.309   8.396
  391    H    ASN  51           HN       ASN  51 -14.490  -1.124   4.661
  392    HA   ASN  51           HA       ASN  51 -14.614  -4.022   5.242
  393   1HB   ASN  51           HB2      ASN  51 -16.564  -2.718   4.265
  394   2HB   ASN  51           HB1      ASN  51 -15.611  -2.553   2.790
  395   1HD2  ASN  51          HD22      ASN  51 -16.408  -5.786   1.664
  396   2HD2  ASN  51          HD21      ASN  51 -15.772  -4.253   1.309
  397    H    VAL  52           HN       VAL  52 -12.239  -2.128   4.202
  398    HA   VAL  52           HA       VAL  52 -11.200  -4.159   2.269
  399    HB   VAL  52           HB       VAL  52 -10.956  -1.142   2.138
  400   1HG1  VAL  52          HG11      VAL  52  -9.310  -3.336   0.900
  401   2HG1  VAL  52          HG13      VAL  52  -9.619  -1.876  -0.040
  402   3HG1  VAL  52          HG12      VAL  52  -8.798  -1.770   1.515
  403   1HG2  VAL  52          HG21      VAL  52 -12.091  -3.254   0.280
  404   2HG2  VAL  52          HG23      VAL  52 -12.996  -2.014   1.145
  405   3HG2  VAL  52          HG22      VAL  52 -11.898  -1.557  -0.156
  406    H    ILE  53           HN       ILE  53  -8.876  -4.493   2.434
  407    HA   ILE  53           HA       ILE  53  -7.835  -3.714   5.145
  408    HB   ILE  53           HB       ILE  53  -6.740  -5.800   3.246
  409   1HG1  ILE  53          HG12      ILE  53  -9.026  -6.430   3.735
  410   2HG1  ILE  53          HG11      ILE  53  -7.973  -7.425   4.736
  411   1HG2  ILE  53          HG21      ILE  53  -5.412  -4.785   5.284
  412   2HG2  ILE  53          HG23      ILE  53  -6.486  -5.792   6.250
  413   3HG2  ILE  53          HG22      ILE  53  -5.431  -6.528   5.046
  414   1HD1  ILE  53          HD13      ILE  53  -8.307  -5.570   6.538
  415   2HD1  ILE  53          HD12      ILE  53  -9.688  -5.086   5.557
  416   3HD1  ILE  53          HD11      ILE  53  -9.625  -6.705   6.252
  417    H    PHE  54           HN       PHE  54  -6.348  -2.102   5.221
  418    HA   PHE  54           HA       PHE  54  -4.789  -1.436   2.742
  419   1HB   PHE  54           HB2      PHE  54  -5.371   0.184   5.239
  420   2HB   PHE  54           HB1      PHE  54  -4.317   0.720   3.934
  421    HD1  PHE  54           HD1      PHE  54  -7.799  -0.435   4.652
  422    HD2  PHE  54           HD2      PHE  54  -5.224   1.781   2.024
  423    HE1  PHE  54           HE1      PHE  54  -9.781   0.433   3.436
  424    HE2  PHE  54           HE2      PHE  54  -7.208   2.634   0.794
  425    HZ   PHE  54           HZ       PHE  54  -9.484   1.958   1.504
  426    H    LEU  55           HN       LEU  55  -2.611  -1.829   2.740
  427    HA   LEU  55           HA       LEU  55  -1.252  -2.456   5.342
  428   1HB   LEU  55           HB2      LEU  55  -0.700  -3.514   2.558
  429   2HB   LEU  55           HB1      LEU  55   0.453  -3.678   3.879
  430    HG   LEU  55           HG       LEU  55  -1.052  -5.068   5.125
  431   1HD1  LEU  55          HD13      LEU  55  -3.125  -4.121   3.166
  432   2HD1  LEU  55          HD12      LEU  55  -3.325  -5.672   3.978
  433   3HD1  LEU  55          HD11      LEU  55  -3.194  -4.200   4.927
  434   1HD2  LEU  55          HD23      LEU  55   0.166  -6.091   3.185
  435   2HD2  LEU  55          HD22      LEU  55  -1.302  -6.955   3.638
  436   3HD2  LEU  55          HD21      LEU  55  -1.300  -5.902   2.224
  437    H    GLU  56           HN       GLU  56   0.688  -1.466   5.771
  438    HA   GLU  56           HA       GLU  56   1.576   0.669   3.855
  439   1HB   GLU  56           HB2      GLU  56   0.684   1.426   6.125
  440   2HB   GLU  56           HB1      GLU  56   2.066   0.599   6.847
  441   1HG   GLU  56           HG2      GLU  56   3.586   1.952   5.408
  442   2HG   GLU  56           HG1      GLU  56   2.184   2.837   4.805
  443    H    VAL  57           HN       VAL  57   3.653   0.398   3.086
  444    HA   VAL  57           HA       VAL  57   5.395  -1.624   4.479
  445    HB   VAL  57           HB       VAL  57   5.044  -1.219   1.499
  446   1HG1  VAL  57          HG12      VAL  57   6.629  -3.259   3.098
  447   2HG1  VAL  57          HG11      VAL  57   6.434  -3.270   1.346
  448   3HG1  VAL  57          HG13      VAL  57   7.321  -1.961   2.124
  449   1HG2  VAL  57          HG21      VAL  57   3.112  -2.286   2.670
  450   2HG2  VAL  57          HG23      VAL  57   3.931  -3.382   1.557
  451   3HG2  VAL  57          HG22      VAL  57   4.212  -3.516   3.291
  452    H    ASP  58           HN       ASP  58   7.481  -1.056   4.778
  453    HA   ASP  58           HA       ASP  58   8.416   1.632   3.842
  454   1HB   ASP  58           HB2      ASP  58   8.502   0.927   6.293
  455   2HB   ASP  58           HB1      ASP  58   9.720  -0.262   5.805
  456    H    VAL  59           HN       VAL  59   9.728   1.584   2.032
  457    HA   VAL  59           HA       VAL  59  10.805  -0.895   0.999
  458    HB   VAL  59           HB       VAL  59  12.060   0.610  -0.565
  459   1HG1  VAL  59          HG12      VAL  59   9.119   1.130  -0.070
  460   2HG1  VAL  59          HG11      VAL  59   9.967   1.740  -1.489
  461   3HG1  VAL  59          HG13      VAL  59   9.837   0.006  -1.221
  462   1HG2  VAL  59          HG22      VAL  59  10.788   2.781   1.132
  463   2HG2  VAL  59          HG21      VAL  59  12.515   2.455   0.981
  464   3HG2  VAL  59          HG23      VAL  59  11.604   3.053  -0.408
  465    H    ASP  60           HN       ASP  60  11.802   1.332   3.424
  466    HA   ASP  60           HA       ASP  60  14.652   0.528   3.230
  467   1HB   ASP  60           HB2      ASP  60  13.092   2.574   4.786
  468   2HB   ASP  60           HB1      ASP  60  14.728   2.151   5.263
  469    H    ASP  61           HN       ASP  61  11.918   0.179   5.544
  470    HA   ASP  61           HA       ASP  61  13.646  -1.608   7.210
  471   1HB   ASP  61           HB2      ASP  61  10.848  -0.540   7.725
  472   2HB   ASP  61           HB1      ASP  61  11.754  -1.577   8.819
  473    H    ALA  62           HN       ALA  62  11.251  -1.693   4.781
  474    HA   ALA  62           HA       ALA  62  10.885  -4.638   5.193
  475   1HB   ALA  62           HB1      ALA  62   8.804  -3.069   5.512
  476   2HB   ALA  62           HB3      ALA  62   8.839  -2.952   3.752
  477   3HB   ALA  62           HB2      ALA  62   8.637  -4.523   4.526
  478    H    GLN  63           HN       GLN  63  13.004  -3.450   3.813
  479    HA   GLN  63           HA       GLN  63  12.597  -3.056   1.041
  480   1HB   GLN  63           HB2      GLN  63  14.991  -3.402   0.797
  481   2HB   GLN  63           HB1      GLN  63  14.696  -2.502   2.284
  482   1HG   GLN  63           HG2      GLN  63  14.752  -4.726   3.510
  483   2HG   GLN  63           HG1      GLN  63  15.337  -5.449   2.011
  484   1HE2  GLN  63          HE22      GLN  63  18.600  -4.654   3.152
  485   2HE2  GLN  63          HE21      GLN  63  17.507  -5.889   2.750
  486    H    ASP  64           HN       ASP  64  12.543  -6.002   2.885
  487    HA   ASP  64           HA       ASP  64  13.253  -7.800   0.771
  488   1HB   ASP  64           HB2      ASP  64  11.935  -9.487   2.136
  489   2HB   ASP  64           HB1      ASP  64  13.212  -8.657   3.017
  490    H    VAL  65           HN       VAL  65  10.180  -6.332   1.774
  491    HA   VAL  65           HA       VAL  65   8.587  -7.827  -0.126
  492    HB   VAL  65           HB       VAL  65   7.936  -5.117   1.082
  493   1HG1  VAL  65          HG12      VAL  65   6.498  -5.989  -0.782
  494   2HG1  VAL  65          HG11      VAL  65   6.147  -7.404   0.208
  495   3HG1  VAL  65          HG13      VAL  65   5.632  -5.805   0.744
  496   1HG2  VAL  65          HG21      VAL  65   7.914  -7.879   2.272
  497   2HG2  VAL  65          HG23      VAL  65   8.351  -6.348   3.022
  498   3HG2  VAL  65          HG22      VAL  65   6.655  -6.743   2.750
  499    H    ALA  66           HN       ALA  66  10.061  -4.592  -0.103
  500    HA   ALA  66           HA       ALA  66   9.005  -3.838  -2.670
  501   1HB   ALA  66           HB2      ALA  66   9.958  -2.341  -0.780
  502   2HB   ALA  66           HB1      ALA  66  11.530  -2.684  -1.505
  503   3HB   ALA  66           HB3      ALA  66  10.272  -1.893  -2.454
  504    H    SER  67           HN       SER  67  12.150  -5.216  -1.666
  505    HA   SER  67           HA       SER  67  13.389  -5.036  -4.229
  506   1HB   SER  67           HB2      SER  67  14.900  -6.786  -3.434
  507   2HB   SER  67           HB1      SER  67  14.583  -5.657  -2.120
  508    HG   SER  67           HG       SER  67  12.853  -7.182  -1.529
  509    H    GLU  68           HN       GLU  68  11.184  -7.401  -2.832
  510    HA   GLU  68           HA       GLU  68  11.366  -9.337  -4.936
  511   1HB   GLU  68           HB2      GLU  68  10.306  -9.716  -2.684
  512   2HB   GLU  68           HB1      GLU  68   8.943  -8.730  -3.217
  513   1HG   GLU  68           HG2      GLU  68   8.649 -10.282  -5.160
  514   2HG   GLU  68           HG1      GLU  68   9.916 -11.304  -4.488
  515    H    ALA  69           HN       ALA  69   9.327  -6.460  -4.481
  516    HA   ALA  69           HA       ALA  69   7.905  -6.971  -7.001
  517   1HB   ALA  69           HB3      ALA  69   7.773  -4.718  -4.989
  518   2HB   ALA  69           HB2      ALA  69   6.806  -4.762  -6.463
  519   3HB   ALA  69           HB1      ALA  69   6.596  -6.010  -5.235
  520    H    GLU  70           HN       GLU  70  10.932  -5.763  -6.383
  521    HA   GLU  70           HA       GLU  70  12.384  -4.379  -7.611
  522   1HB   GLU  70           HB2      GLU  70  10.384  -5.098  -9.775
  523   2HB   GLU  70           HB1      GLU  70  11.897  -4.248 -10.076
  524   1HG   GLU  70           HG2      GLU  70  12.329  -6.556 -10.481
  525   2HG   GLU  70           HG1      GLU  70  13.078  -6.176  -8.931
  526    H    VAL  71           HN       VAL  71  10.723  -2.853  -6.050
  527    HA   VAL  71           HA       VAL  71   9.131  -0.988  -7.535
  528    HB   VAL  71           HB       VAL  71  10.575  -0.455  -4.916
  529   1HG1  VAL  71          HG11      VAL  71   8.107   0.689  -6.270
  530   2HG1  VAL  71          HG13      VAL  71   8.534   1.015  -4.593
  531   3HG1  VAL  71          HG12      VAL  71   9.607   1.538  -5.895
  532   1HG2  VAL  71          HG23      VAL  71   7.958  -1.881  -5.539
  533   2HG2  VAL  71          HG22      VAL  71   9.332  -2.511  -4.633
  534   3HG2  VAL  71          HG21      VAL  71   8.333  -1.233  -3.942
  535    H    LYS  72           HN       LYS  72   9.722   0.743  -8.720
  536    HA   LYS  72           HA       LYS  72  12.613   1.408  -8.877
  537   1HB   LYS  72           HB2      LYS  72  10.329   2.005 -10.774
  538   2HB   LYS  72           HB1      LYS  72  12.024   2.386 -11.070
  539   1HG   LYS  72           HG2      LYS  72  11.147  -0.454 -10.474
  540   2HG   LYS  72           HG1      LYS  72  11.081   0.196 -12.111
  541   1HD   LYS  72           HD2      LYS  72  13.523   0.795 -11.894
  542   2HD   LYS  72           HD1      LYS  72  13.542  -0.067 -10.356
  543   1HE   LYS  72           HE2      LYS  72  12.885  -2.139 -11.456
  544   2HE   LYS  72           HE1      LYS  72  12.725  -1.304 -13.000
  545   1HZ   LYS  72           HZ1      LYS  72  15.184  -0.626 -12.449
  546   2HZ   LYS  72           HZ3      LYS  72  15.142  -2.051 -11.527
  547   3HZ   LYS  72           HZ2      LYS  72  14.825  -2.109 -13.196
  548    H    ALA  73           HN       ALA  73   9.635   2.653  -7.696
  549    HA   ALA  73           HA       ALA  73  10.964   5.106  -6.853
  550   1HB   ALA  73           HB1      ALA  73   8.862   5.185  -9.006
  551   2HB   ALA  73           HB3      ALA  73   9.191   6.574  -7.968
  552   3HB   ALA  73           HB2      ALA  73  10.461   5.931  -9.010
  553    H    THR  74           HN       THR  74   9.749   6.272  -5.273
  554    HA   THR  74           HA       THR  74   7.221   4.967  -4.321
  555    HB   THR  74           HB       THR  74   7.975   5.261  -2.019
  556    HG1  THR  74           HG1      THR  74  10.040   6.700  -3.257
  557   1HG2  THR  74          HG23      THR  74  10.051   4.045  -3.816
  558   2HG2  THR  74          HG22      THR  74  10.187   3.997  -2.064
  559   3HG2  THR  74          HG21      THR  74   8.818   3.226  -2.867
  560    HA   PRO  75           HA       PRO  75   5.846   5.587  -2.461
  561   1HB   PRO  75           HB2      PRO  75   3.301   6.680  -2.482
  562   2HB   PRO  75           HB1      PRO  75   4.539   7.044  -1.275
  563   1HG   PRO  75           HG2      PRO  75   3.565   8.724  -3.520
  564   2HG   PRO  75           HG1      PRO  75   4.309   9.209  -1.990
  565   1HD   PRO  75           HD2      PRO  75   5.587   9.133  -4.529
  566   2HD   PRO  75           HD1      PRO  75   6.394   9.336  -2.948
  567    H    THR  76           HN       THR  76   4.850   3.769  -3.247
  568    HA   THR  76           HA       THR  76   3.414   3.938  -5.872
  569    HB   THR  76           HB       THR  76   5.278   1.722  -4.977
  570    HG1  THR  76           HG1      THR  76   5.529   3.485  -7.160
  571   1HG2  THR  76          HG22      THR  76   3.490   2.071  -7.379
  572   2HG2  THR  76          HG21      THR  76   4.868   0.970  -7.387
  573   3HG2  THR  76          HG23      THR  76   3.544   0.719  -6.248
  574    H    PHE  77           HN       PHE  77   1.522   2.823  -5.937
  575    HA   PHE  77           HA       PHE  77   0.709   1.387  -3.424
  576   1HB   PHE  77           HB2      PHE  77  -0.995   2.773  -5.521
  577   2HB   PHE  77           HB1      PHE  77  -1.592   1.992  -4.054
  578    HD1  PHE  77           HD1      PHE  77  -1.063   2.957  -1.806
  579    HD2  PHE  77           HD2      PHE  77   0.086   4.914  -5.452
  580    HE1  PHE  77           HE1      PHE  77  -0.670   5.064  -0.554
  581    HE2  PHE  77           HE2      PHE  77   0.477   7.022  -4.204
  582    HZ   PHE  77           HZ       PHE  77   0.098   7.098  -1.750
  583    H    GLN  78           HN       GLN  78   0.201  -0.749  -3.643
  584    HA   GLN  78           HA       GLN  78  -0.212  -1.844  -6.410
  585   1HB   GLN  78           HB2      GLN  78   1.307  -3.016  -4.071
  586   2HB   GLN  78           HB1      GLN  78   0.817  -3.965  -5.475
  587   1HG   GLN  78           HG2      GLN  78   2.032  -2.347  -6.935
  588   2HG   GLN  78           HG1      GLN  78   2.608  -1.517  -5.491
  589   1HE2  GLN  78          HE22      GLN  78   5.407  -3.715  -5.945
  590   2HE2  GLN  78          HE21      GLN  78   4.840  -2.151  -6.276
  591    H    PHE  79           HN       PHE  79  -1.914  -3.195  -6.643
  592    HA   PHE  79           HA       PHE  79  -3.664  -3.545  -4.231
  593   1HB   PHE  79           HB2      PHE  79  -4.319  -3.521  -7.188
  594   2HB   PHE  79           HB1      PHE  79  -5.483  -3.850  -5.899
  595    HD1  PHE  79           HD2      PHE  79  -3.082  -1.320  -7.193
  596    HD2  PHE  79           HD1      PHE  79  -6.416  -2.084  -4.605
  597    HE1  PHE  79           HE2      PHE  79  -3.325   1.113  -6.787
  598    HE2  PHE  79           HE1      PHE  79  -6.661   0.346  -4.194
  599    HZ   PHE  79           HZ       PHE  79  -5.117   1.945  -5.286
  600    H    PHE  80           HN       PHE  80  -4.009  -5.501  -3.479
  601    HA   PHE  80           HA       PHE  80  -3.350  -7.871  -5.172
  602   1HB   PHE  80           HB2      PHE  80  -2.885  -7.417  -2.221
  603   2HB   PHE  80           HB1      PHE  80  -2.803  -9.006  -2.975
  604    HD1  PHE  80           HD2      PHE  80  -1.199  -5.661  -2.763
  605    HD2  PHE  80           HD1      PHE  80  -0.976  -9.620  -4.435
  606    HE1  PHE  80           HE2      PHE  80   1.162  -5.266  -3.406
  607    HE2  PHE  80           HE1      PHE  80   1.386  -9.215  -5.072
  608    HZ   PHE  80           HZ       PHE  80   2.454  -7.039  -4.556
  609    H    LYS  81           HN       LYS  81  -4.834  -9.567  -5.099
  610    HA   LYS  81           HA       LYS  81  -7.100  -9.378  -3.182
  611   1HB   LYS  81           HB2      LYS  81  -7.658  -8.093  -5.343
  612   2HB   LYS  81           HB1      LYS  81  -7.576  -9.647  -6.170
  613   1HG   LYS  81           HG2      LYS  81  -9.304 -10.526  -4.610
  614   2HG   LYS  81           HG1      LYS  81  -9.432  -8.929  -3.886
  615   1HD   LYS  81           HD2      LYS  81  -9.905  -8.070  -6.261
  616   2HD   LYS  81           HD1      LYS  81 -10.147  -9.761  -6.703
  617   1HE   LYS  81           HE2      LYS  81 -11.637  -8.277  -4.515
  618   2HE   LYS  81           HE1      LYS  81 -12.292  -8.699  -6.099
  619   1HZ   LYS  81           HZ2      LYS  81 -11.654 -11.071  -5.475
  620   2HZ   LYS  81           HZ1      LYS  81 -11.536 -10.496  -3.881
  621   3HZ   LYS  81           HZ3      LYS  81 -13.013 -10.399  -4.709
  622    H    LYS  82           HN       LYS  82  -7.532 -11.449  -2.500
  623    HA   LYS  82           HA       LYS  82  -7.348 -13.786  -2.334
  624   1HB   LYS  82           HB2      LYS  82  -7.339 -13.582  -5.374
  625   2HB   LYS  82           HB1      LYS  82  -7.472 -15.084  -4.470
  626   1HG   LYS  82           HG2      LYS  82  -9.483 -13.971  -3.294
  627   2HG   LYS  82           HG1      LYS  82  -9.437 -12.806  -4.610
  628   1HD   LYS  82           HD2      LYS  82  -9.477 -14.816  -6.193
  629   2HD   LYS  82           HD1      LYS  82  -9.900 -15.783  -4.779
  630   1HE   LYS  82           HE2      LYS  82 -11.885 -14.430  -4.387
  631   2HE   LYS  82           HE1      LYS  82 -11.439 -13.336  -5.696
  632   1HZ   LYS  82           HZ2      LYS  82 -11.577 -16.139  -6.407
  633   2HZ   LYS  82           HZ1      LYS  82 -13.063 -15.426  -5.994
  634   3HZ   LYS  82           HZ3      LYS  82 -12.131 -14.772  -7.250
  635    H    GLY  83           HN       GLY  83  -4.938 -12.018  -2.462
  636   1HA   GLY  83           HA2      GLY  83  -2.637 -12.463  -2.225
  637   2HA   GLY  83           HA1      GLY  83  -2.964 -14.147  -2.627
  638    H    GLN  84           HN       GLN  84  -4.238 -11.836  -4.836
  639    HA   GLN  84           HA       GLN  84  -1.957 -12.340  -6.703
  640   1HB   GLN  84           HB2      GLN  84  -4.931 -12.315  -7.250
  641   2HB   GLN  84           HB1      GLN  84  -3.717 -12.274  -8.526
  642   1HG   GLN  84           HG2      GLN  84  -3.771 -14.419  -6.393
  643   2HG   GLN  84           HG1      GLN  84  -4.608 -14.588  -7.937
  644   1HE2  GLN  84          HE22      GLN  84  -0.855 -13.875  -9.037
  645   2HE2  GLN  84          HE21      GLN  84  -1.961 -12.676  -8.554
  646    H    LYS  85           HN       LYS  85  -1.170 -10.606  -7.853
  647    HA   LYS  85           HA       LYS  85  -2.046  -7.923  -7.047
  648   1HB   LYS  85           HB2      LYS  85   0.352  -8.481  -7.438
  649   2HB   LYS  85           HB1      LYS  85  -0.018  -8.746  -9.142
  650   1HG   LYS  85           HG2      LYS  85  -0.807  -6.414  -9.341
  651   2HG   LYS  85           HG1      LYS  85  -0.467  -6.151  -7.635
  652   1HD   LYS  85           HD2      LYS  85   1.458  -5.282  -8.641
  653   2HD   LYS  85           HD1      LYS  85   1.965  -6.927  -8.265
  654   1HE   LYS  85           HE2      LYS  85   2.614  -6.376 -10.556
  655   2HE   LYS  85           HE1      LYS  85   1.354  -7.606 -10.595
  656   1HZ   LYS  85           HZ3      LYS  85   0.298  -4.945 -10.572
  657   2HZ   LYS  85           HZ2      LYS  85   1.310  -5.222 -11.910
  658   3HZ   LYS  85           HZ1      LYS  85  -0.031  -6.228 -11.630
  659    H    VAL  86           HN       VAL  86  -3.614  -6.789  -8.086
  660    HA   VAL  86           HA       VAL  86  -4.264  -7.515 -10.928
  661    HB   VAL  86           HB       VAL  86  -6.599  -6.782 -10.376
  662   1HG1  VAL  86          HG13      VAL  86  -5.697  -9.208 -10.228
  663   2HG1  VAL  86          HG12      VAL  86  -5.742  -8.974  -8.481
  664   3HG1  VAL  86          HG11      VAL  86  -7.226  -8.856  -9.426
  665   1HG2  VAL  86          HG22      VAL  86  -5.979  -5.371  -8.423
  666   2HG2  VAL  86          HG21      VAL  86  -7.213  -6.563  -8.008
  667   3HG2  VAL  86          HG23      VAL  86  -5.537  -6.828  -7.533
  668    H    GLY  87           HN       GLY  87  -2.760  -5.143  -9.233
  669   1HA   GLY  87           HA2      GLY  87  -3.036  -3.219 -11.322
  670   2HA   GLY  87           HA1      GLY  87  -4.137  -2.769 -10.024
  671    H    GLU  88           HN       GLU  88  -1.865  -1.262 -10.922
  672    HA   GLU  88           HA       GLU  88  -0.615  -0.720  -8.362
  673   1HB   GLU  88           HB2      GLU  88   0.861  -2.534  -8.946
  674   2HB   GLU  88           HB1      GLU  88   1.027  -1.936 -10.593
  675   1HG   GLU  88           HG2      GLU  88   2.278  -0.011  -9.857
  676   2HG   GLU  88           HG1      GLU  88   1.916  -0.350  -8.164
  677    H    PHE  89           HN       PHE  89   0.447   1.326  -8.367
  678    HA   PHE  89           HA       PHE  89   0.974   2.679 -10.875
  679   1HB   PHE  89           HB2      PHE  89  -0.675   4.385 -10.852
  680   2HB   PHE  89           HB1      PHE  89  -1.550   2.874 -10.658
  681    HD1  PHE  89           HD1      PHE  89  -0.179   5.796  -8.853
  682    HD2  PHE  89           HD2      PHE  89  -2.892   2.475  -8.697
  683    HE1  PHE  89           HE1      PHE  89  -1.201   6.738  -6.802
  684    HE2  PHE  89           HE2      PHE  89  -3.914   3.414  -6.636
  685    HZ   PHE  89           HZ       PHE  89  -3.075   5.550  -5.699
  686    H    SER  90           HN       SER  90   1.832   4.890 -10.494
  687    HA   SER  90           HA       SER  90   2.887   5.232  -7.707
  688   1HB   SER  90           HB2      SER  90   4.990   6.028  -8.702
  689   2HB   SER  90           HB1      SER  90   4.655   4.368  -9.192
  690    HG   SER  90           HG       SER  90   4.574   5.046 -11.176
  691    H    GLY  91           HN       GLY  91   3.577   7.435  -7.234
  692   1HA   GLY  91           HA2      GLY  91   3.582   9.814  -8.009
  693   2HA   GLY  91           HA1      GLY  91   2.045   9.494  -8.801
  694    H    ALA  92           HN       ALA  92   2.888  11.352  -6.536
  695    HA   ALA  92           HA       ALA  92   1.507  10.360  -4.180
  696   1HB   ALA  92           HB2      ALA  92   2.505  13.076  -5.051
  697   2HB   ALA  92           HB1      ALA  92   1.712  12.818  -3.502
  698   3HB   ALA  92           HB3      ALA  92   3.233  11.997  -3.866
  699    H    ASN  93           HN       ASN  93  -0.434   9.811  -5.791
  700    HA   ASN  93           HA       ASN  93  -2.340  12.139  -5.801
  701   1HB   ASN  93           HB2      ASN  93  -1.698  11.180  -8.070
  702   2HB   ASN  93           HB1      ASN  93  -2.487   9.684  -7.569
  703   1HD2  ASN  93          HD22      ASN  93  -5.366  12.423  -7.197
  704   2HD2  ASN  93          HD21      ASN  93  -4.123  12.201  -6.062
  705    H    LYS  94           HN       LYS  94  -3.223  11.745  -3.754
  706    HA   LYS  94           HA       LYS  94  -3.944   9.117  -2.797
  707   1HB   LYS  94           HB2      LYS  94  -5.282  10.432  -1.127
  708   2HB   LYS  94           HB1      LYS  94  -3.572  10.837  -1.192
  709   1HG   LYS  94           HG2      LYS  94  -5.160  12.472  -3.068
  710   2HG   LYS  94           HG1      LYS  94  -5.725  12.652  -1.412
  711   1HD   LYS  94           HD2      LYS  94  -3.350  13.098  -0.717
  712   2HD   LYS  94           HD1      LYS  94  -2.902  13.087  -2.427
  713   1HE   LYS  94           HE2      LYS  94  -4.489  14.923  -2.851
  714   2HE   LYS  94           HE1      LYS  94  -4.949  14.923  -1.148
  715   1HZ   LYS  94           HZ2      LYS  94  -2.176  15.055  -1.254
  716   2HZ   LYS  94           HZ1      LYS  94  -2.757  16.194  -2.373
  717   3HZ   LYS  94           HZ3      LYS  94  -3.255  16.268  -0.753
  718    H    GLU  95           HN       GLU  95  -5.747  11.623  -4.577
  719    HA   GLU  95           HA       GLU  95  -8.349  10.523  -4.191
  720   1HB   GLU  95           HB2      GLU  95  -7.209  12.045  -6.556
  721   2HB   GLU  95           HB1      GLU  95  -8.924  11.763  -6.270
  722   1HG   GLU  95           HG2      GLU  95  -7.100  13.184  -4.314
  723   2HG   GLU  95           HG1      GLU  95  -8.128  14.015  -5.481
  724    H    LYS  96           HN       LYS  96  -5.713   9.700  -6.307
  725    HA   LYS  96           HA       LYS  96  -7.094   8.084  -8.192
  726   1HB   LYS  96           HB2      LYS  96  -4.705   8.921  -8.261
  727   2HB   LYS  96           HB1      LYS  96  -4.293   7.630  -7.149
  728   1HG   LYS  96           HG2      LYS  96  -4.855   5.940  -8.714
  729   2HG   LYS  96           HG1      LYS  96  -5.707   7.078  -9.761
  730   1HD   LYS  96           HD2      LYS  96  -3.568   8.242 -10.217
  731   2HD   LYS  96           HD1      LYS  96  -2.722   7.063  -9.217
  732   1HE   LYS  96           HE2      LYS  96  -3.507   5.247 -10.716
  733   2HE   LYS  96           HE1      LYS  96  -4.316   6.447 -11.725
  734   1HZ   LYS  96           HZ3      LYS  96  -1.606   7.153 -11.242
  735   2HZ   LYS  96           HZ2      LYS  96  -1.715   5.610 -11.944
  736   3HZ   LYS  96           HZ1      LYS  96  -2.417   6.950 -12.718
  737    H    LEU  97           HN       LEU  97  -5.856   7.413  -4.957
  738    HA   LEU  97           HA       LEU  97  -6.089   4.576  -4.969
  739   1HB   LEU  97           HB2      LEU  97  -6.408   6.655  -2.797
  740   2HB   LEU  97           HB1      LEU  97  -6.554   4.941  -2.454
  741    HG   LEU  97           HG       LEU  97  -4.151   6.196  -3.785
  742   1HD1  LEU  97          HD13      LEU  97  -4.687   5.529  -0.882
  743   2HD1  LEU  97          HD12      LEU  97  -3.078   5.860  -1.525
  744   3HD1  LEU  97          HD11      LEU  97  -4.319   7.113  -1.565
  745   1HD2  LEU  97          HD22      LEU  97  -4.903   3.418  -2.898
  746   2HD2  LEU  97          HD21      LEU  97  -3.974   3.929  -4.303
  747   3HD2  LEU  97          HD23      LEU  97  -3.231   3.912  -2.713
  748    H    GLU  98           HN       GLU  98  -8.383   7.144  -4.325
  749    HA   GLU  98           HA       GLU  98 -10.538   5.515  -3.406
  750   1HB   GLU  98           HB2      GLU  98 -10.451   7.995  -3.210
  751   2HB   GLU  98           HB1      GLU  98 -10.726   8.120  -4.944
  752   1HG   GLU  98           HG2      GLU  98 -12.622   6.577  -3.171
  753   2HG   GLU  98           HG1      GLU  98 -12.785   8.319  -3.380
  754    H    ALA  99           HN       ALA  99  -9.729   6.603  -6.701
  755    HA   ALA  99           HA       ALA  99 -12.047   5.398  -7.891
  756   1HB   ALA  99           HB1      ALA  99 -10.734   7.174  -8.998
  757   2HB   ALA  99           HB3      ALA  99  -9.381   6.054  -9.169
  758   3HB   ALA  99           HB2      ALA  99 -10.891   5.750 -10.027
  759    H    THR 100           HN       THR 100  -8.693   4.186  -7.552
  760    HA   THR 100           HA       THR 100  -9.197   1.791  -9.039
  761    HB   THR 100           HB       THR 100  -7.188   2.094  -6.793
  762    HG1  THR 100           HG1      THR 100  -7.162   3.790  -8.431
  763   1HG2  THR 100          HG22      THR 100  -7.397   0.352  -9.262
  764   2HG2  THR 100          HG21      THR 100  -5.913   0.526  -8.330
  765   3HG2  THR 100          HG23      THR 100  -7.349  -0.171  -7.580
  766    H    ILE 101           HN       ILE 101  -9.491   2.542  -5.586
  767    HA   ILE 101           HA       ILE 101 -10.100  -0.113  -4.668
  768    HB   ILE 101           HB       ILE 101 -10.947   2.626  -3.655
  769   1HG1  ILE 101          HG12      ILE 101  -8.988   0.670  -2.432
  770   2HG1  ILE 101          HG11      ILE 101  -8.484   1.875  -3.617
  771   1HG2  ILE 101          HG22      ILE 101 -11.393  -0.136  -2.497
  772   2HG2  ILE 101          HG21      ILE 101 -11.429   1.324  -1.509
  773   3HG2  ILE 101          HG23      ILE 101 -12.597   1.114  -2.814
  774   1HD1  ILE 101          HD11      ILE 101  -9.462   3.654  -2.158
  775   2HD1  ILE 101          HD13      ILE 101  -9.829   2.420  -0.955
  776   3HD1  ILE 101          HD12      ILE 101  -8.153   2.772  -1.371
  777    H    ASN 102           HN       ASN 102 -12.200   2.581  -5.687
  778    HA   ASN 102           HA       ASN 102 -14.680   1.196  -5.482
  779   1HB   ASN 102           HB2      ASN 102 -14.458   3.665  -5.806
  780   2HB   ASN 102           HB1      ASN 102 -13.903   3.373  -7.454
  781   1HD2  ASN 102          HD22      ASN 102 -17.840   3.459  -6.717
  782   2HD2  ASN 102          HD21      ASN 102 -16.672   3.977  -5.600
  783    H    GLU 103           HN       GLU 103 -12.227   1.346  -7.984
  784    HA   GLU 103           HA       GLU 103 -13.735   0.073 -10.060
  785   1HB   GLU 103           HB2      GLU 103 -11.571   1.391 -10.281
  786   2HB   GLU 103           HB1      GLU 103 -10.742  -0.024  -9.642
  787   1HG   GLU 103           HG2      GLU 103 -11.698  -1.403 -11.473
  788   2HG   GLU 103           HG1      GLU 103 -12.431   0.049 -12.155
  789    H    LEU 104           HN       LEU 104 -11.554  -1.205  -7.537
  790    HA   LEU 104           HA       LEU 104 -12.103  -3.981  -8.468
  791   1HB   LEU 104           HB2      LEU 104 -10.200  -2.940  -6.359
  792   2HB   LEU 104           HB1      LEU 104 -10.333  -4.623  -6.858
  793    HG   LEU 104           HG       LEU 104  -9.613  -2.325  -8.702
  794   1HD1  LEU 104          HD12      LEU 104  -7.879  -4.421  -7.361
  795   2HD1  LEU 104          HD11      LEU 104  -7.323  -3.292  -8.597
  796   3HD1  LEU 104          HD13      LEU 104  -7.866  -2.689  -7.033
  797   1HD2  LEU 104          HD23      LEU 104  -9.917  -5.312  -9.048
  798   2HD2  LEU 104          HD22      LEU 104 -10.468  -4.010 -10.103
  799   3HD2  LEU 104          HD21      LEU 104  -8.761  -4.432 -10.047
  800    H    VAL 105           HN       VAL 105 -13.479  -1.823  -6.272
  801    HA   VAL 105           HA       VAL 105 -13.824  -3.521  -3.996
  802    HB   VAL 105           HB       VAL 105 -14.400  -1.018  -4.164
  803   1HG1  VAL 105          HG13      VAL 105 -15.935  -1.535  -6.226
  804   2HG1  VAL 105          HG12      VAL 105 -17.135  -1.962  -5.010
  805   3HG1  VAL 105          HG11      VAL 105 -16.462  -0.331  -5.051
  806   1HG2  VAL 105          HG22      VAL 105 -16.301  -3.019  -2.916
  807   2HG2  VAL 105          HG21      VAL 105 -14.905  -2.255  -2.156
  808   3HG2  VAL 105          HG23      VAL 105 -16.330  -1.294  -2.550
  809    HA   PRO  59           HA       PRO 106  13.973  16.765 -14.167
  810   1HB   PRO  59           HB2      PRO 106  16.399  17.176 -12.462
  811   2HB   PRO  59           HB1      PRO 106  16.288  16.666 -14.160
  812   1HG   PRO  59           HG2      PRO 106  17.093  19.123 -13.500
  813   2HG   PRO  59           HG1      PRO 106  16.090  18.834 -14.935
  814   1HD   PRO  59           HD2      PRO 106  15.287  19.955 -12.268
  815   2HD   PRO  59           HD1      PRO 106  14.717  20.398 -13.894
  816    H    ALA  60           HN       ALA 107  14.161  17.941 -10.848
  817    HA   ALA  60           HA       ALA 107  13.700  15.171  -9.807
  818   1HB   ALA  60           HB2      ALA 107  15.587  16.430  -8.804
  819   2HB   ALA  60           HB1      ALA 107  14.472  17.715  -8.340
  820   3HB   ALA  60           HB3      ALA 107  14.320  16.113  -7.619
  821    H    THR  61           HN       THR 108  11.628  14.687  -9.303
  822    HA   THR  61           HA       THR 108   9.678  16.928  -8.923
  823    HB   THR  61           HB       THR 108   9.098  13.984  -9.365
  824    HG1  THR  61           HG1      THR 108   8.735  15.765 -11.423
  825   1HG2  THR  61          HG21      THR 108   7.330  15.552  -8.415
  826   2HG2  THR  61          HG23      THR 108   7.400  16.415  -9.951
  827   3HG2  THR  61          HG22      THR 108   6.894  14.725  -9.909
  828    H    LEU  62           HN       LEU 109   8.903  17.298  -6.900
  829    HA   LEU  62           HA       LEU 109   9.805  15.747  -4.636
  830   1HB   LEU  62           HB2      LEU 109   7.734  17.933  -4.939
  831   2HB   LEU  62           HB1      LEU 109   8.108  17.194  -3.386
  832    HG   LEU  62           HG       LEU 109  10.203  18.453  -5.180
  833   1HD1  LEU  62          HD13      LEU 109   8.701  19.652  -2.832
  834   2HD1  LEU  62          HD12      LEU 109  10.087  20.394  -3.630
  835   3HD1  LEU  62          HD11      LEU 109   8.580  20.163  -4.516
  836   1HD2  LEU  62          HD23      LEU 109  10.183  17.263  -2.409
  837   2HD2  LEU  62          HD22      LEU 109  11.395  17.115  -3.680
  838   3HD2  LEU  62          HD21      LEU 109  11.282  18.600  -2.744
  839    H    LYS  63           HN       LYS 110   7.008  15.660  -6.684
  840    HA   LYS  63           HA       LYS 110   5.188  14.274  -5.000
  841   1HB   LYS  63           HB2      LYS 110   5.542  14.020  -8.004
  842   2HB   LYS  63           HB1      LYS 110   4.107  13.565  -7.094
  843   1HG   LYS  63           HG2      LYS 110   5.239  16.364  -7.374
  844   2HG   LYS  63           HG1      LYS 110   3.766  15.754  -8.124
  845   1HD   LYS  63           HD2      LYS 110   3.030  15.243  -5.660
  846   2HD   LYS  63           HD1      LYS 110   4.291  16.394  -5.225
  847   1HE   LYS  63           HE2      LYS 110   3.248  18.088  -6.701
  848   2HE   LYS  63           HE1      LYS 110   1.972  16.939  -7.102
  849   1HZ   LYS  63           HZ3      LYS 110   2.114  16.989  -4.348
  850   2HZ   LYS  63           HZ2      LYS 110   2.215  18.615  -4.832
  851   3HZ   LYS  63           HZ1      LYS 110   0.898  17.659  -5.322
  852    H    ILE  64           HN       ILE 111   8.119  13.223  -6.523
  853    HA   ILE  64           HA       ILE 111   7.551  10.388  -5.668
  854    HB   ILE  64           HB       ILE 111   9.023  11.356  -8.145
  855   1HG1  ILE  64          HG12      ILE 111   6.593  11.310  -8.415
  856   2HG1  ILE  64          HG11      ILE 111   7.323  10.006  -9.343
  857   1HG2  ILE  64          HG23      ILE 111   8.846   8.618  -6.880
  858   2HG2  ILE  64          HG22      ILE 111   9.219   8.839  -8.591
  859   3HG2  ILE  64          HG21      ILE 111  10.292   9.507  -7.359
  860   1HD1  ILE  64          HD13      ILE 111   6.872   8.645  -7.066
  861   2HD1  ILE  64          HD12      ILE 111   5.621   9.870  -6.889
  862   3HD1  ILE  64          HD11      ILE 111   5.635   8.819  -8.306
  863    H    CYS  65           HN       CYS 112   9.234   9.399  -4.534
  864    HA   CYS  65           HA       CYS 112  11.604  11.088  -3.890
  865   1HB   CYS  65           HB2      CYS 112  10.739   8.459  -2.625
  866   2HB   CYS  65           HB1      CYS 112  12.026   9.513  -2.054
  867    H    SER  66           HN       SER 113  13.493  10.620  -4.964
  868    HA   SER  66           HA       SER 113  13.591   8.355  -6.798
  869   1HB   SER  66           HB2      SER 113  15.702  10.376  -5.985
  870   2HB   SER  66           HB1      SER 113  15.886   9.206  -7.289
  871    HG   SER  66           HG       SER 113  15.118  11.314  -7.947
  872    H    TRP  67           HN       TRP 114  14.796   6.453  -6.599
  873    HA   TRP  67           HA       TRP 114  15.574   5.641  -3.903
  874   1HB   TRP  67           HB2      TRP 114  15.795   4.265  -6.597
  875   2HB   TRP  67           HB1      TRP 114  16.331   3.527  -5.085
  876    HD1  TRP  67           HD1      TRP 114  13.142   5.450  -6.134
  877    HE1  TRP  67           HE1      TRP 114  11.106   4.160  -5.250
  878    HE3  TRP  67           HE3      TRP 114  15.465   1.479  -3.935
  879    HZ2  TRP  67           HZ2      TRP 114  10.548   1.785  -3.781
  880    HZ3  TRP  67           HZ3      TRP 114  14.162  -0.278  -2.804
  881    HH2  TRP  67           HH2      TRP 114  11.697  -0.131  -2.735
  882    H    ASN  68           HN       ASN 115  17.043   7.350  -6.401
  883    HA   ASN  68           HA       ASN 115  19.717   6.466  -6.423
  884   1HB   ASN  68           HB2      ASN 115  18.573   9.277  -6.560
  885   2HB   ASN  68           HB1      ASN 115  20.272   8.901  -6.867
  886   1HD2  ASN  68          HD22      ASN 115  18.292   6.650  -9.520
  887   2HD2  ASN  68          HD21      ASN 115  18.431   6.255  -7.874
  888    H    VAL  69           HN       VAL 116  17.878   7.642  -3.820
  889    HA   VAL  69           HA       VAL 116  19.855   9.013  -2.281
  890    HB   VAL  69           HB       VAL 116  18.433   8.288  -0.311
  891   1HG1  VAL  69          HG12      VAL 116  17.982  10.317  -1.783
  892   2HG1  VAL  69          HG11      VAL 116  16.803   9.326  -2.643
  893   3HG1  VAL  69          HG13      VAL 116  16.577   9.680  -0.932
  894   1HG2  VAL  69          HG21      VAL 116  17.770   6.094  -1.384
  895   2HG2  VAL  69          HG23      VAL 116  16.409   7.018  -0.748
  896   3HG2  VAL  69          HG22      VAL 116  16.739   7.014  -2.476
  897    H    ASP  70           HN       ASP 117  21.390   8.229  -0.787
  898    HA   ASP  70           HA       ASP 117  22.625   5.734  -1.354
  899   1HB   ASP  70           HB2      ASP 117  22.754   7.501   1.108
  900   2HB   ASP  70           HB1      ASP 117  23.786   6.090   0.874
  901    H    GLY  71           HN       GLY 118  20.269   6.643   1.148
  902   1HA   GLY  71           HA2      GLY 118  20.286   4.009   2.383
  903   2HA   GLY  71           HA1      GLY 118  19.111   5.289   2.694
   
  No H/Q in entry =         903
  Start of MODEL   17
    1   1H    MET   1           HT2      MET   1  -8.422  -2.677   7.821
    2   2H    MET   1           HT1      MET   1  -8.330  -3.800   9.091
    3   3H    MET   1           HT3      MET   1  -9.661  -2.759   8.976
    4    HA   MET   1           HA       MET   1  -8.501  -0.927   9.709
    5   1HB   MET   1           HB2      MET   1  -7.177  -3.329  11.017
    6   2HB   MET   1           HB1      MET   1  -7.155  -1.691  11.663
    7   1HG   MET   1           HG2      MET   1  -9.672  -3.287  11.117
    8   2HG   MET   1           HG1      MET   1  -8.927  -3.100  12.703
    9   1HE   MET   1           HE3      MET   1 -11.085  -2.228  13.702
   10   2HE   MET   1           HE2      MET   1 -12.050  -0.896  13.073
   11   3HE   MET   1           HE1      MET   1 -11.922  -2.390  12.152
   12    H    VAL   2           HN       VAL   2  -5.898  -0.688  10.710
   13    HA   VAL   2           HA       VAL   2  -4.326  -0.611   8.164
   14    HB   VAL   2           HB       VAL   2  -3.911   0.780  10.836
   15   1HG1  VAL   2          HG11      VAL   2  -2.394   0.905   8.213
   16   2HG1  VAL   2          HG13      VAL   2  -2.215   2.095   9.505
   17   3HG1  VAL   2          HG12      VAL   2  -1.762   0.413   9.784
   18   1HG2  VAL   2          HG21      VAL   2  -5.862   1.452   9.272
   19   2HG2  VAL   2          HG23      VAL   2  -4.747   2.730   9.757
   20   3HG2  VAL   2          HG22      VAL   2  -4.610   2.004   8.156
   21    H    LYS   3           HN       LYS   3  -2.575  -1.966   7.921
   22    HA   LYS   3           HA       LYS   3  -1.506  -3.409  10.330
   23   1HB   LYS   3           HB2      LYS   3  -3.025  -4.845   8.898
   24   2HB   LYS   3           HB1      LYS   3  -1.933  -4.568   7.547
   25   1HG   LYS   3           HG2      LYS   3  -1.164  -6.620   8.381
   26   2HG   LYS   3           HG1      LYS   3  -0.089  -5.478   9.177
   27   1HD   LYS   3           HD2      LYS   3  -1.426  -5.553  11.209
   28   2HD   LYS   3           HD1      LYS   3  -2.630  -6.565  10.413
   29   1HE   LYS   3           HE2      LYS   3  -0.948  -8.342  10.110
   30   2HE   LYS   3           HE1      LYS   3   0.262  -7.334  10.905
   31   1HZ   LYS   3           HZ3      LYS   3  -2.037  -7.463  12.521
   32   2HZ   LYS   3           HZ2      LYS   3  -1.587  -9.045  12.092
   33   3HZ   LYS   3           HZ1      LYS   3  -0.472  -8.021  12.862
   34    H    GLN   4           HN       GLN   4   0.702  -3.192  10.469
   35    HA   GLN   4           HA       GLN   4   2.145  -1.998   8.137
   36   1HB   GLN   4           HB2      GLN   4   2.372  -0.922  10.383
   37   2HB   GLN   4           HB1      GLN   4   3.056  -2.425  11.008
   38   1HG   GLN   4           HG2      GLN   4   4.920  -2.272   9.423
   39   2HG   GLN   4           HG1      GLN   4   4.227  -0.814   8.716
   40   1HE2  GLN   4          HE22      GLN   4   6.342   0.933  10.988
   41   2HE2  GLN   4          HE21      GLN   4   6.072   0.528   9.361
   42    H    ILE   5           HN       ILE   5   3.328  -3.369   6.876
   43    HA   ILE   5           HA       ILE   5   3.996  -6.088   7.943
   44    HB   ILE   5           HB       ILE   5   4.172  -5.084   5.099
   45   1HG1  ILE   5          HG12      ILE   5   1.857  -4.882   5.800
   46   2HG1  ILE   5          HG11      ILE   5   2.003  -6.319   4.791
   47   1HG2  ILE   5          HG22      ILE   5   4.165  -7.825   6.375
   48   2HG2  ILE   5          HG21      ILE   5   4.026  -7.533   4.648
   49   3HG2  ILE   5          HG23      ILE   5   5.493  -7.062   5.494
   50   1HD1  ILE   5          HD12      ILE   5   2.371  -7.580   7.054
   51   2HD1  ILE   5          HD11      ILE   5   1.659  -6.144   7.780
   52   3HD1  ILE   5          HD13      ILE   5   0.736  -7.091   6.617
   53    H    GLU   6           HN       GLU   6   5.994  -6.132   8.843
   54    HA   GLU   6           HA       GLU   6   8.099  -4.301   7.839
   55   1HB   GLU   6           HB2      GLU   6   8.108  -6.210  10.203
   56   2HB   GLU   6           HB1      GLU   6   9.318  -4.979   9.850
   57   1HG   GLU   6           HG2      GLU   6   7.938  -3.916  11.433
   58   2HG   GLU   6           HG1      GLU   6   7.332  -3.307   9.894
   59    H    SER   7           HN       SER   7   6.999  -7.375   7.086
   60    HA   SER   7           HA       SER   7   9.596  -8.027   5.837
   61   1HB   SER   7           HB2      SER   7   9.698 -10.302   6.803
   62   2HB   SER   7           HB1      SER   7   9.832  -9.063   8.052
   63    HG   SER   7           HG       SER   7   7.254  -9.623   7.661
   64    H    LYS   8           HN       LYS   8   9.449  -9.669   4.208
   65    HA   LYS   8           HA       LYS   8   6.974  -9.747   2.747
   66   1HB   LYS   8           HB2      LYS   8   9.295 -10.111   1.760
   67   2HB   LYS   8           HB1      LYS   8   9.262 -11.708   2.503
   68   1HG   LYS   8           HG2      LYS   8   7.169 -12.225   1.271
   69   2HG   LYS   8           HG1      LYS   8   7.267 -10.652   0.486
   70   1HD   LYS   8           HD2      LYS   8   8.169 -12.418  -0.978
   71   2HD   LYS   8           HD1      LYS   8   9.427 -11.272  -0.529
   72   1HE   LYS   8           HE2      LYS   8   9.916 -13.850  -0.397
   73   2HE   LYS   8           HE1      LYS   8  10.488 -12.802   0.897
   74   1HZ   LYS   8           HZ3      LYS   8   7.787 -13.898   1.130
   75   2HZ   LYS   8           HZ2      LYS   8   9.082 -14.973   1.359
   76   3HZ   LYS   8           HZ1      LYS   8   8.938 -13.589   2.335
   77    H    THR   9           HN       THR   9   8.450 -11.784   5.177
   78    HA   THR   9           HA       THR   9   6.862 -14.115   4.849
   79    HB   THR   9           HB       THR   9   7.913 -12.926   7.433
   80    HG1  THR   9           HG1      THR   9   9.479 -13.259   5.768
   81   1HG2  THR   9          HG23      THR   9   6.265 -14.747   7.758
   82   2HG2  THR   9          HG22      THR   9   7.218 -15.784   6.695
   83   3HG2  THR   9          HG21      THR   9   7.889 -15.246   8.237
   84    H    ALA  10           HN       ALA  10   6.297 -11.210   6.820
   85    HA   ALA  10           HA       ALA  10   3.680 -12.090   7.709
   86   1HB   ALA  10           HB2      ALA  10   5.167  -9.461   7.717
   87   2HB   ALA  10           HB1      ALA  10   3.474  -9.537   8.206
   88   3HB   ALA  10           HB3      ALA  10   4.689 -10.460   9.090
   89    H    PHE  11           HN       PHE  11   4.931 -10.352   4.932
   90    HA   PHE  11           HA       PHE  11   2.517  -9.176   3.998
   91   1HB   PHE  11           HB2      PHE  11   4.861  -8.858   3.046
   92   2HB   PHE  11           HB1      PHE  11   4.682 -10.414   2.268
   93    HD1  PHE  11           HD1      PHE  11   2.748  -7.228   2.701
   94    HD2  PHE  11           HD2      PHE  11   3.895 -10.422   0.068
   95    HE1  PHE  11           HE1      PHE  11   1.541  -6.129   0.837
   96    HE2  PHE  11           HE2      PHE  11   2.685  -9.324  -1.793
   97    HZ   PHE  11           HZ       PHE  11   1.510  -7.182  -1.409
   98    H    GLN  12           HN       GLN  12   3.902 -12.405   3.431
   99    HA   GLN  12           HA       GLN  12   1.836 -13.331   1.674
  100   1HB   GLN  12           HB2      GLN  12   3.588 -14.866   3.633
  101   2HB   GLN  12           HB1      GLN  12   2.644 -15.599   2.336
  102   1HG   GLN  12           HG2      GLN  12   4.846 -13.541   1.940
  103   2HG   GLN  12           HG1      GLN  12   5.015 -15.279   1.678
  104   1HE2  GLN  12          HE22      GLN  12   2.876 -15.251  -1.260
  105   2HE2  GLN  12          HE21      GLN  12   3.213 -16.198   0.106
  106    H    GLU  13           HN       GLU  13   2.226 -13.466   5.193
  107    HA   GLU  13           HA       GLU  13  -0.145 -14.974   5.755
  108   1HB   GLU  13           HB2      GLU  13   1.589 -13.097   7.366
  109   2HB   GLU  13           HB1      GLU  13   0.142 -13.814   8.063
  110   1HG   GLU  13           HG2      GLU  13   1.004 -16.071   7.486
  111   2HG   GLU  13           HG1      GLU  13   2.480 -15.325   6.866
  112    H    ALA  14           HN       ALA  14   0.443 -11.482   5.502
  113    HA   ALA  14           HA       ALA  14  -2.162 -10.671   6.381
  114   1HB   ALA  14           HB1      ALA  14  -0.032  -9.240   6.045
  115   2HB   ALA  14           HB3      ALA  14  -0.505  -9.164   4.349
  116   3HB   ALA  14           HB2      ALA  14  -1.571  -8.512   5.593
  117    H    LEU  15           HN       LEU  15  -0.838 -11.433   3.165
  118    HA   LEU  15           HA       LEU  15  -3.162 -10.735   1.677
  119   1HB   LEU  15           HB2      LEU  15  -1.012 -12.805   1.191
  120   2HB   LEU  15           HB1      LEU  15  -2.257 -12.412   0.003
  121    HG   LEU  15           HG       LEU  15  -0.533 -10.260   1.234
  122   1HD1  LEU  15          HD12      LEU  15   0.135 -12.158  -1.002
  123   2HD1  LEU  15          HD11      LEU  15   0.747 -10.510  -1.035
  124   3HD1  LEU  15          HD13      LEU  15   1.159 -11.569   0.307
  125   1HD2  LEU  15          HD21      LEU  15  -2.208 -10.505  -1.281
  126   2HD2  LEU  15          HD23      LEU  15  -2.410  -9.363   0.042
  127   3HD2  LEU  15          HD22      LEU  15  -1.040  -9.214  -1.050
  128    H    ASP  16           HN       ASP  16  -2.184 -13.695   3.311
  129    HA   ASP  16           HA       ASP  16  -4.460 -15.228   2.453
  130   1HB   ASP  16           HB2      ASP  16  -2.268 -16.154   3.364
  131   2HB   ASP  16           HB1      ASP  16  -2.852 -15.706   4.972
  132    H    ALA  17           HN       ALA  17  -3.798 -13.147   5.228
  133    HA   ALA  17           HA       ALA  17  -6.121 -13.889   6.746
  134   1HB   ALA  17           HB3      ALA  17  -4.516 -11.315   6.764
  135   2HB   ALA  17           HB2      ALA  17  -5.713 -11.769   7.977
  136   3HB   ALA  17           HB1      ALA  17  -4.244 -12.721   7.794
  137    H    ALA  18           HN       ALA  18  -5.562 -11.306   4.362
  138    HA   ALA  18           HA       ALA  18  -8.090 -10.015   4.678
  139   1HB   ALA  18           HB3      ALA  18  -6.138  -9.114   3.366
  140   2HB   ALA  18           HB2      ALA  18  -6.514 -10.290   2.109
  141   3HB   ALA  18           HB1      ALA  18  -7.676  -9.025   2.508
  142    H    GLY  19           HN       GLY  19  -7.123 -12.912   2.937
  143   1HA   GLY  19           HA2      GLY  19  -8.457 -14.581   1.953
  144   2HA   GLY  19           HA1      GLY  19  -9.854 -13.815   2.723
  145    H    ASP  20           HN       ASP  20 -11.318 -13.236   1.218
  146    HA   ASP  20           HA       ASP  20 -10.452 -12.581  -1.534
  147   1HB   ASP  20           HB2      ASP  20 -13.215 -12.846  -0.317
  148   2HB   ASP  20           HB1      ASP  20 -12.860 -12.653  -2.035
  149    H    LYS  21           HN       LYS  21 -10.792 -10.845   1.267
  150    HA   LYS  21           HA       LYS  21 -12.278  -8.546   0.282
  151   1HB   LYS  21           HB2      LYS  21 -10.344  -8.819   2.602
  152   2HB   LYS  21           HB1      LYS  21 -11.424  -7.451   2.328
  153   1HG   LYS  21           HG2      LYS  21 -13.346  -9.149   2.346
  154   2HG   LYS  21           HG1      LYS  21 -12.173 -10.317   2.950
  155   1HD   LYS  21           HD2      LYS  21 -13.042  -9.493   4.954
  156   2HD   LYS  21           HD1      LYS  21 -11.644  -8.442   4.738
  157   1HE   LYS  21           HE2      LYS  21 -13.118  -6.731   3.706
  158   2HE   LYS  21           HE1      LYS  21 -14.507  -7.783   3.962
  159   1HZ   LYS  21           HZ3      LYS  21 -12.994  -7.501   6.342
  160   2HZ   LYS  21           HZ2      LYS  21 -13.447  -5.977   5.745
  161   3HZ   LYS  21           HZ1      LYS  21 -14.630  -7.151   6.069
  162    H    LEU  22           HN       LEU  22 -11.363  -6.506  -0.396
  163    HA   LEU  22           HA       LEU  22  -9.089  -6.652  -2.053
  164   1HB   LEU  22           HB2      LEU  22 -10.677  -4.415  -0.864
  165   2HB   LEU  22           HB1      LEU  22  -9.107  -3.998  -1.513
  166    HG   LEU  22           HG       LEU  22 -11.259  -5.459  -3.048
  167   1HD1  LEU  22          HD12      LEU  22 -10.346  -2.567  -3.030
  168   2HD1  LEU  22          HD11      LEU  22 -11.422  -3.251  -4.241
  169   3HD1  LEU  22          HD13      LEU  22 -11.929  -3.172  -2.555
  170   1HD2  LEU  22          HD21      LEU  22  -8.394  -5.009  -3.521
  171   2HD2  LEU  22          HD23      LEU  22  -9.544  -5.954  -4.466
  172   3HD2  LEU  22          HD22      LEU  22  -9.353  -4.233  -4.769
  173    H    VAL  23           HN       VAL  23  -7.024  -5.548  -1.815
  174    HA   VAL  23           HA       VAL  23  -6.049  -5.095   0.932
  175    HB   VAL  23           HB       VAL  23  -4.841  -7.145  -0.950
  176   1HG1  VAL  23          HG13      VAL  23  -3.894  -5.923   1.646
  177   2HG1  VAL  23          HG12      VAL  23  -3.338  -7.512   1.122
  178   3HG1  VAL  23          HG11      VAL  23  -3.011  -6.095   0.132
  179   1HG2  VAL  23          HG22      VAL  23  -6.287  -7.340   1.695
  180   2HG2  VAL  23          HG21      VAL  23  -6.725  -8.106   0.164
  181   3HG2  VAL  23          HG23      VAL  23  -5.296  -8.649   1.046
  182    H    VAL  24           HN       VAL  24  -5.311  -3.050   0.590
  183    HA   VAL  24           HA       VAL  24  -3.839  -2.458  -1.943
  184    HB   VAL  24           HB       VAL  24  -4.860  -0.561   0.208
  185   1HG1  VAL  24          HG11      VAL  24  -2.905   0.227  -1.179
  186   2HG1  VAL  24          HG13      VAL  24  -3.887  -0.031  -2.618
  187   3HG1  VAL  24          HG12      VAL  24  -4.368   1.176  -1.428
  188   1HG2  VAL  24          HG22      VAL  24  -5.977  -1.340  -2.492
  189   2HG2  VAL  24          HG21      VAL  24  -6.724  -1.634  -0.926
  190   3HG2  VAL  24          HG23      VAL  24  -6.562   0.015  -1.530
  191    H    VAL  25           HN       VAL  25  -1.633  -1.883  -1.835
  192    HA   VAL  25           HA       VAL  25  -0.368  -1.978   0.895
  193    HB   VAL  25           HB       VAL  25   0.849  -2.997  -1.688
  194   1HG1  VAL  25          HG12      VAL  25   2.320  -2.242   0.282
  195   2HG1  VAL  25          HG11      VAL  25   1.655  -3.633   1.150
  196   3HG1  VAL  25          HG13      VAL  25   2.582  -3.873  -0.331
  197   1HG2  VAL  25          HG21      VAL  25  -1.179  -4.308  -0.946
  198   2HG2  VAL  25          HG23      VAL  25   0.318  -5.236  -0.948
  199   3HG2  VAL  25          HG22      VAL  25  -0.338  -4.633   0.570
  200    H    ASP  26           HN       ASP  26   0.713  -0.142   1.383
  201    HA   ASP  26           HA       ASP  26   1.433   1.748  -0.834
  202   1HB   ASP  26           HB2      ASP  26   0.043   2.617   1.062
  203   2HB   ASP  26           HB1      ASP  26   1.363   2.236   2.169
  204    H    PHE  27           HN       PHE  27   3.534   1.619  -1.500
  205    HA   PHE  27           HA       PHE  27   5.617   0.543   0.323
  206   1HB   PHE  27           HB2      PHE  27   5.569   1.174  -2.640
  207   2HB   PHE  27           HB1      PHE  27   7.075   0.811  -1.786
  208    HD1  PHE  27           HD1      PHE  27   7.339  -1.387  -0.608
  209    HD2  PHE  27           HD2      PHE  27   4.028  -0.566  -3.220
  210    HE1  PHE  27           HE1      PHE  27   6.894  -3.818  -0.804
  211    HE2  PHE  27           HE2      PHE  27   3.581  -2.998  -3.402
  212    HZ   PHE  27           HZ       PHE  27   5.013  -4.624  -2.205
  213    H    SER  28           HN       SER  28   4.374   3.352   0.540
  214    HA   SER  28           HA       SER  28   6.202   5.319  -0.297
  215   1HB   SER  28           HB2      SER  28   4.618   5.240   2.284
  216   2HB   SER  28           HB1      SER  28   5.385   6.673   1.612
  217    HG   SER  28           HG       SER  28   2.997   5.778   1.083
  218    H    ALA  29           HN       ALA  29   8.063   6.203   0.556
  219    HA   ALA  29           HA       ALA  29   9.643   4.438   2.290
  220   1HB   ALA  29           HB1      ALA  29  10.130   6.856   0.598
  221   2HB   ALA  29           HB3      ALA  29  11.191   6.680   1.995
  222   3HB   ALA  29           HB2      ALA  29  11.116   5.409   0.777
  223    H    THR  30           HN       THR  30   9.727   4.697   4.496
  224    HA   THR  30           HA       THR  30   8.065   6.680   5.754
  225    HB   THR  30           HB       THR  30   8.555   4.523   6.841
  226    HG1  THR  30           HG1      THR  30   9.747   6.618   8.326
  227   1HG2  THR  30          HG22      THR  30  10.893   4.310   6.002
  228   2HG2  THR  30          HG21      THR  30  11.388   5.568   7.135
  229   3HG2  THR  30          HG23      THR  30  10.765   4.033   7.741
  230    H    TRP  31           HN       TRP  31  11.470   6.509   4.906
  231    HA   TRP  31           HA       TRP  31  12.237   8.841   6.474
  232   1HB   TRP  31           HB2      TRP  31  14.323   8.708   5.188
  233   2HB   TRP  31           HB1      TRP  31  13.861   7.129   5.819
  234    HD1  TRP  31           HD1      TRP  31  13.127   5.286   4.115
  235    HE1  TRP  31           HE1      TRP  31  13.360   5.071   1.553
  236    HE3  TRP  31           HE3      TRP  31  14.120  10.136   2.936
  237    HZ2  TRP  31           HZ2      TRP  31  13.863   6.761  -0.697
  238    HZ3  TRP  31           HZ3      TRP  31  14.444  10.817   0.577
  239    HH2  TRP  31           HH2      TRP  31  14.315   9.138  -1.240
  240    H    CYS  32           HN       CYS  32  10.603   8.485   3.460
  241    HA   CYS  32           HA       CYS  32  11.566  11.084   2.431
  242   1HB   CYS  32           HB2      CYS  32  11.016   9.068   0.949
  243   2HB   CYS  32           HB1      CYS  32   9.325   9.372   1.318
  244    H    GLY  33           HN       GLY  33  10.737  12.882   3.310
  245   1HA   GLY  33           HA2      GLY  33   8.423  12.974   4.961
  246   2HA   GLY  33           HA1      GLY  33   9.209  14.379   4.250
  247    HA   PRO  34           HA       PRO  34   6.213  15.014   1.056
  248   1HB   PRO  34           HB2      PRO  34   7.563  13.338  -1.009
  249   2HB   PRO  34           HB1      PRO  34   7.089  15.045  -1.076
  250   1HG   PRO  34           HG2      PRO  34   9.685  14.217  -0.781
  251   2HG   PRO  34           HG1      PRO  34   9.089  15.769  -0.178
  252   1HD   PRO  34           HD2      PRO  34   9.870  13.354   1.339
  253   2HD   PRO  34           HD1      PRO  34   9.699  15.035   1.921
  254    H    ALA  35           HN       ALA  35   7.346  11.627   1.025
  255    HA   ALA  35           HA       ALA  35   4.755  10.605   0.132
  256   1HB   ALA  35           HB3      ALA  35   7.102   9.540  -0.211
  257   2HB   ALA  35           HB2      ALA  35   6.906   8.938   1.436
  258   3HB   ALA  35           HB1      ALA  35   5.754   8.476   0.184
  259    H    LYS  36           HN       LYS  36   6.532  10.704   3.228
  260    HA   LYS  36           HA       LYS  36   4.587   9.297   4.762
  261   1HB   LYS  36           HB2      LYS  36   6.897   9.922   5.541
  262   2HB   LYS  36           HB1      LYS  36   6.330  11.580   5.726
  263   1HG   LYS  36           HG2      LYS  36   4.544  10.752   7.271
  264   2HG   LYS  36           HG1      LYS  36   5.243   9.137   7.158
  265   1HD   LYS  36           HD2      LYS  36   7.419  10.079   7.978
  266   2HD   LYS  36           HD1      LYS  36   6.608  11.626   8.228
  267   1HE   LYS  36           HE2      LYS  36   5.677   9.035   9.502
  268   2HE   LYS  36           HE1      LYS  36   6.774  10.165  10.294
  269   1HZ   LYS  36           HZ1      LYS  36   4.889  11.851   9.613
  270   2HZ   LYS  36           HZ3      LYS  36   3.930  10.453   9.683
  271   3HZ   LYS  36           HZ2      LYS  36   4.804  10.952  11.052
  272    H    MET  37           HN       MET  37   4.768  12.638   3.671
  273    HA   MET  37           HA       MET  37   2.758  13.768   5.337
  274   1HB   MET  37           HB2      MET  37   4.295  15.037   3.790
  275   2HB   MET  37           HB1      MET  37   3.287  14.509   2.447
  276   1HG   MET  37           HG2      MET  37   1.308  15.536   3.587
  277   2HG   MET  37           HG1      MET  37   2.392  16.160   4.828
  278   1HE   MET  37           HE2      MET  37   4.298  17.469   4.513
  279   2HE   MET  37           HE1      MET  37   5.081  17.155   2.972
  280   3HE   MET  37           HE3      MET  37   4.480  18.775   3.347
  281    H    ILE  38           HN       ILE  38   2.531  11.749   2.494
  282    HA   ILE  38           HA       ILE  38  -0.312  12.222   2.069
  283    HB   ILE  38           HB       ILE  38   1.278   9.889   0.970
  284   1HG1  ILE  38          HG12      ILE  38   1.077  12.649  -0.277
  285   2HG1  ILE  38          HG11      ILE  38   2.488  12.103   0.626
  286   1HG2  ILE  38          HG21      ILE  38  -1.148  11.457   0.043
  287   2HG2  ILE  38          HG23      ILE  38  -0.278  10.327  -0.992
  288   3HG2  ILE  38          HG22      ILE  38  -1.069   9.749   0.470
  289   1HD1  ILE  38          HD13      ILE  38   2.478  10.071  -0.971
  290   2HD1  ILE  38          HD12      ILE  38   1.406  11.038  -1.975
  291   3HD1  ILE  38          HD11      ILE  38   3.036  11.614  -1.614
  292    H    LYS  39           HN       LYS  39   1.301  10.420   4.443
  293    HA   LYS  39           HA       LYS  39  -0.233   8.045   4.336
  294   1HB   LYS  39           HB2      LYS  39   0.537   7.454   6.443
  295   2HB   LYS  39           HB1      LYS  39   1.827   8.422   5.769
  296   1HG   LYS  39           HG2      LYS  39   1.386  10.247   7.191
  297   2HG   LYS  39           HG1      LYS  39  -0.252   9.711   7.563
  298   1HD   LYS  39           HD2      LYS  39   2.264   8.250   8.400
  299   2HD   LYS  39           HD1      LYS  39   1.344   9.342   9.438
  300   1HE   LYS  39           HE2      LYS  39   0.278   7.404  10.069
  301   2HE   LYS  39           HE1      LYS  39  -0.650   7.661   8.594
  302   1HZ   LYS  39           HZ3      LYS  39   1.572   6.425   7.694
  303   2HZ   LYS  39           HZ2      LYS  39   1.335   5.665   9.197
  304   3HZ   LYS  39           HZ1      LYS  39   0.100   5.655   8.031
  305    HA   PRO  40           HA       PRO  40  -3.379  10.218   7.373
  306   1HB   PRO  40           HB2      PRO  40  -3.809  12.664   5.719
  307   2HB   PRO  40           HB1      PRO  40  -3.753  12.493   7.487
  308   1HG   PRO  40           HG2      PRO  40  -1.747  13.657   6.140
  309   2HG   PRO  40           HG1      PRO  40  -1.427  12.631   7.551
  310   1HD   PRO  40           HD2      PRO  40  -1.120  11.985   4.647
  311   2HD   PRO  40           HD1      PRO  40  -0.078  11.496   6.002
  312    H    PHE  41           HN       PHE  41  -3.357  10.757   3.833
  313    HA   PHE  41           HA       PHE  41  -6.207  10.292   3.580
  314   1HB   PHE  41           HB2      PHE  41  -3.936  10.194   1.569
  315   2HB   PHE  41           HB1      PHE  41  -5.623   9.940   1.146
  316    HD1  PHE  41           HD2      PHE  41  -3.330  12.407   2.771
  317    HD2  PHE  41           HD1      PHE  41  -7.060  11.743   0.742
  318    HE1  PHE  41           HE2      PHE  41  -3.707  14.858   2.658
  319    HE2  PHE  41           HE1      PHE  41  -7.434  14.188   0.633
  320    HZ   PHE  41           HZ       PHE  41  -5.762  15.747   1.590
  321    H    PHE  42           HN       PHE  42  -3.331   8.335   2.851
  322    HA   PHE  42           HA       PHE  42  -4.706   5.935   2.182
  323   1HB   PHE  42           HB2      PHE  42  -2.300   6.379   1.744
  324   2HB   PHE  42           HB1      PHE  42  -1.975   6.320   3.484
  325    HD1  PHE  42           HD1      PHE  42  -3.161   4.348   0.576
  326    HD2  PHE  42           HD2      PHE  42  -1.725   4.229   4.621
  327    HE1  PHE  42           HE1      PHE  42  -2.948   1.890   0.430
  328    HE2  PHE  42           HE2      PHE  42  -1.510   1.762   4.474
  329    HZ   PHE  42           HZ       PHE  42  -2.124   0.588   2.373
  330    H    HIS  43           HN       HIS  43  -3.359   7.047   5.293
  331    HA   HIS  43           HA       HIS  43  -4.285   4.793   6.822
  332   1HB   HIS  43           HB2      HIS  43  -2.446   6.266   7.563
  333   2HB   HIS  43           HB1      HIS  43  -3.574   7.614   7.692
  334    HD1  HIS  43           HD1      HIS  43  -2.429   4.546   9.459
  335    HD2  HIS  43           HD2      HIS  43  -5.431   7.395   9.870
  336    HE1  HIS  43           HE1      HIS  43  -3.524   4.110  11.707
  337    H    SER  44           HN       SER  44  -5.654   8.052   6.254
  338    HA   SER  44           HA       SER  44  -7.847   7.719   8.054
  339   1HB   SER  44           HB2      SER  44  -7.655   9.506   5.614
  340   2HB   SER  44           HB1      SER  44  -8.927   9.585   6.831
  341    HG   SER  44           HG       SER  44  -7.602  10.590   8.108
  342    H    LEU  45           HN       LEU  45  -7.494   6.900   4.629
  343    HA   LEU  45           HA       LEU  45 -10.229   6.317   4.123
  344   1HB   LEU  45           HB2      LEU  45  -7.694   5.245   2.901
  345   2HB   LEU  45           HB1      LEU  45  -9.282   4.804   2.301
  346    HG   LEU  45           HG       LEU  45  -8.463   7.705   2.609
  347   1HD1  LEU  45          HD12      LEU  45  -8.083   5.908   0.190
  348   2HD1  LEU  45          HD11      LEU  45  -7.857   7.657   0.202
  349   3HD1  LEU  45          HD13      LEU  45  -6.797   6.623   1.158
  350   1HD2  LEU  45          HD22      LEU  45 -10.600   6.211   1.074
  351   2HD2  LEU  45          HD21      LEU  45 -10.805   7.502   2.252
  352   3HD2  LEU  45          HD23      LEU  45 -10.149   7.860   0.659
  353    H    SER  46           HN       SER  46  -7.829   4.504   5.901
  354    HA   SER  46           HA       SER  46  -8.815   1.877   5.609
  355   1HB   SER  46           HB2      SER  46  -7.855   3.161   8.197
  356   2HB   SER  46           HB1      SER  46  -7.945   1.432   7.866
  357    HG   SER  46           HG       SER  46  -6.224   1.557   6.634
  358    H    GLU  47           HN       GLU  47  -9.999   4.572   7.557
  359    HA   GLU  47           HA       GLU  47 -12.202   2.945   8.662
  360   1HB   GLU  47           HB2      GLU  47 -11.447   5.878   8.919
  361   2HB   GLU  47           HB1      GLU  47 -12.882   5.176   9.672
  362   1HG   GLU  47           HG2      GLU  47 -11.209   5.116  11.356
  363   2HG   GLU  47           HG1      GLU  47 -11.295   3.465  10.739
  364    H    LYS  48           HN       LYS  48 -11.608   4.892   5.851
  365    HA   LYS  48           HA       LYS  48 -14.401   5.688   5.507
  366   1HB   LYS  48           HB2      LYS  48 -12.475   6.921   4.406
  367   2HB   LYS  48           HB1      LYS  48 -12.276   5.519   3.350
  368   1HG   LYS  48           HG2      LYS  48 -14.655   5.745   2.645
  369   2HG   LYS  48           HG1      LYS  48 -14.783   7.199   3.630
  370   1HD   LYS  48           HD2      LYS  48 -13.039   8.285   2.298
  371   2HD   LYS  48           HD1      LYS  48 -12.845   6.820   1.334
  372   1HE   LYS  48           HE2      LYS  48 -15.149   6.991   0.542
  373   2HE   LYS  48           HE1      LYS  48 -15.418   8.407   1.562
  374   1HZ   LYS  48           HZ3      LYS  48 -13.330   9.273   0.274
  375   2HZ   LYS  48           HZ2      LYS  48 -13.851   8.158  -0.899
  376   3HZ   LYS  48           HZ1      LYS  48 -14.883   9.407  -0.392
  377    H    TYR  49           HN       TYR  49 -12.240   3.151   4.443
  378    HA   TYR  49           HA       TYR  49 -14.615   1.578   3.471
  379   1HB   TYR  49           HB2      TYR  49 -11.761   1.527   2.416
  380   2HB   TYR  49           HB1      TYR  49 -13.062   0.461   1.893
  381    HD1  TYR  49           HD2      TYR  49 -15.223   1.591   1.015
  382    HD2  TYR  49           HD1      TYR  49 -11.438   3.599   1.315
  383    HE1  TYR  49           HE2      TYR  49 -15.989   3.275  -0.632
  384    HE2  TYR  49           HE1      TYR  49 -12.207   5.286  -0.341
  385    HH   TYR  49           HH       TYR  49 -13.803   5.760  -1.877
  386    H    SER  50           HN       SER  50 -14.458   1.131   5.906
  387    HA   SER  50           HA       SER  50 -12.273  -0.377   6.954
  388   1HB   SER  50           HB2      SER  50 -13.740  -0.857   8.804
  389   2HB   SER  50           HB1      SER  50 -14.058   0.790   8.292
  390    HG   SER  50           HG       SER  50 -15.868   0.059   7.184
  391    H    ASN  51           HN       ASN  51 -14.528  -1.153   4.589
  392    HA   ASN  51           HA       ASN  51 -14.563  -4.050   5.176
  393   1HB   ASN  51           HB2      ASN  51 -16.539  -2.770   4.153
  394   2HB   ASN  51           HB1      ASN  51 -15.580  -2.685   2.675
  395   1HD2  ASN  51          HD22      ASN  51 -16.361  -5.982   1.728
  396   2HD2  ASN  51          HD21      ASN  51 -15.708  -4.474   1.292
  397    H    VAL  52           HN       VAL  52 -12.245  -2.086   4.156
  398    HA   VAL  52           HA       VAL  52 -11.111  -4.079   2.237
  399    HB   VAL  52           HB       VAL  52 -10.876  -1.054   2.137
  400   1HG1  VAL  52          HG11      VAL  52  -9.362  -3.253   0.725
  401   2HG1  VAL  52          HG13      VAL  52  -9.544  -1.658  -0.010
  402   3HG1  VAL  52          HG12      VAL  52  -8.722  -1.825   1.540
  403   1HG2  VAL  52          HG23      VAL  52 -12.165  -3.143   0.371
  404   2HG2  VAL  52          HG22      VAL  52 -12.918  -1.735   1.108
  405   3HG2  VAL  52          HG21      VAL  52 -11.778  -1.530  -0.223
  406    H    ILE  53           HN       ILE  53  -8.864  -4.518   2.569
  407    HA   ILE  53           HA       ILE  53  -7.872  -3.624   5.250
  408    HB   ILE  53           HB       ILE  53  -6.732  -5.766   3.434
  409   1HG1  ILE  53          HG12      ILE  53  -9.032  -6.379   3.893
  410   2HG1  ILE  53          HG11      ILE  53  -7.995  -7.359   4.924
  411   1HG2  ILE  53          HG23      ILE  53  -5.442  -4.704   5.460
  412   2HG2  ILE  53          HG22      ILE  53  -6.539  -5.665   6.439
  413   3HG2  ILE  53          HG21      ILE  53  -5.470  -6.455   5.282
  414   1HD1  ILE  53          HD12      ILE  53  -8.367  -5.417   6.668
  415   2HD1  ILE  53          HD11      ILE  53  -9.782  -5.063   5.676
  416   3HD1  ILE  53          HD13      ILE  53  -9.613  -6.640   6.443
  417    H    PHE  54           HN       PHE  54  -6.419  -1.951   5.263
  418    HA   PHE  54           HA       PHE  54  -4.818  -1.395   2.794
  419   1HB   PHE  54           HB2      PHE  54  -5.360   0.281   5.267
  420   2HB   PHE  54           HB1      PHE  54  -4.295   0.773   3.954
  421    HD1  PHE  54           HD1      PHE  54  -7.813  -0.304   4.668
  422    HD2  PHE  54           HD2      PHE  54  -5.173   1.856   2.051
  423    HE1  PHE  54           HE1      PHE  54  -9.768   0.589   3.426
  424    HE2  PHE  54           HE2      PHE  54  -7.133   2.738   0.804
  425    HZ   PHE  54           HZ       PHE  54  -9.425   2.102   1.492
  426    H    LEU  55           HN       LEU  55  -2.664  -1.888   2.784
  427    HA   LEU  55           HA       LEU  55  -1.293  -2.487   5.383
  428   1HB   LEU  55           HB2      LEU  55  -0.759  -3.549   2.597
  429   2HB   LEU  55           HB1      LEU  55   0.406  -3.720   3.909
  430    HG   LEU  55           HG       LEU  55  -1.175  -5.033   5.198
  431   1HD1  LEU  55          HD12      LEU  55  -3.128  -4.151   3.093
  432   2HD1  LEU  55          HD11      LEU  55  -3.380  -5.686   3.931
  433   3HD1  LEU  55          HD13      LEU  55  -3.295  -4.191   4.851
  434   1HD2  LEU  55          HD21      LEU  55   0.147  -6.131   3.351
  435   2HD2  LEU  55          HD23      LEU  55  -1.324  -6.989   3.813
  436   3HD2  LEU  55          HD22      LEU  55  -1.297  -6.020   2.340
  437    H    GLU  56           HN       GLU  56   0.659  -1.523   5.829
  438    HA   GLU  56           HA       GLU  56   1.593   0.608   3.929
  439   1HB   GLU  56           HB2      GLU  56   0.708   1.374   6.198
  440   2HB   GLU  56           HB1      GLU  56   2.051   0.493   6.930
  441   1HG   GLU  56           HG2      GLU  56   3.637   1.825   5.532
  442   2HG   GLU  56           HG1      GLU  56   2.270   2.756   4.920
  443    H    VAL  57           HN       VAL  57   3.652   0.261   3.140
  444    HA   VAL  57           HA       VAL  57   5.374  -1.762   4.552
  445    HB   VAL  57           HB       VAL  57   5.065  -1.372   1.565
  446   1HG1  VAL  57          HG11      VAL  57   6.586  -3.389   3.242
  447   2HG1  VAL  57          HG13      VAL  57   6.360  -3.514   1.499
  448   3HG1  VAL  57          HG12      VAL  57   7.284  -2.173   2.174
  449   1HG2  VAL  57          HG23      VAL  57   3.970  -3.444   3.480
  450   2HG2  VAL  57          HG22      VAL  57   3.050  -2.337   2.475
  451   3HG2  VAL  57          HG21      VAL  57   3.976  -3.641   1.729
  452    H    ASP  58           HN       ASP  58   7.420  -1.102   4.944
  453    HA   ASP  58           HA       ASP  58   8.300   1.544   3.917
  454   1HB   ASP  58           HB2      ASP  58   8.464   0.857   6.370
  455   2HB   ASP  58           HB1      ASP  58   9.710  -0.295   5.855
  456    H    VAL  59           HN       VAL  59   9.555   1.535   2.060
  457    HA   VAL  59           HA       VAL  59  10.658  -0.927   0.996
  458    HB   VAL  59           HB       VAL  59  11.832   0.541  -0.604
  459   1HG1  VAL  59          HG13      VAL  59   8.976   1.326   0.034
  460   2HG1  VAL  59          HG12      VAL  59   9.798   1.756  -1.465
  461   3HG1  VAL  59          HG11      VAL  59   9.504   0.063  -1.074
  462   1HG2  VAL  59          HG23      VAL  59  10.935   2.701   1.310
  463   2HG2  VAL  59          HG22      VAL  59  12.570   2.340   0.772
  464   3HG2  VAL  59          HG21      VAL  59  11.412   3.050  -0.350
  465    H    ASP  60           HN       ASP  60  11.655   1.318   3.407
  466    HA   ASP  60           HA       ASP  60  14.511   0.579   3.172
  467   1HB   ASP  60           HB2      ASP  60  12.930   2.513   4.851
  468   2HB   ASP  60           HB1      ASP  60  14.595   2.129   5.251
  469    H    ASP  61           HN       ASP  61  11.864   0.149   5.590
  470    HA   ASP  61           HA       ASP  61  13.676  -1.659   7.133
  471   1HB   ASP  61           HB2      ASP  61  10.856  -0.689   7.753
  472   2HB   ASP  61           HB1      ASP  61  11.831  -1.716   8.798
  473    H    ALA  62           HN       ALA  62  11.275  -1.739   4.749
  474    HA   ALA  62           HA       ALA  62  10.918  -4.690   5.101
  475   1HB   ALA  62           HB1      ALA  62   8.908  -2.914   5.385
  476   2HB   ALA  62           HB3      ALA  62   8.852  -3.097   3.635
  477   3HB   ALA  62           HB2      ALA  62   8.649  -4.506   4.674
  478    H    GLN  63           HN       GLN  63  13.011  -3.371   3.689
  479    HA   GLN  63           HA       GLN  63  12.566  -2.987   0.922
  480   1HB   GLN  63           HB2      GLN  63  14.953  -3.191   0.658
  481   2HB   GLN  63           HB1      GLN  63  14.657  -2.398   2.204
  482   1HG   GLN  63           HG2      GLN  63  14.864  -4.659   3.307
  483   2HG   GLN  63           HG1      GLN  63  15.384  -5.306   1.750
  484   1HE2  GLN  63          HE22      GLN  63  18.310  -2.948   1.847
  485   2HE2  GLN  63          HE21      GLN  63  16.961  -3.114   0.831
  486    H    ASP  64           HN       ASP  64  12.582  -5.934   2.731
  487    HA   ASP  64           HA       ASP  64  13.384  -7.696   0.612
  488   1HB   ASP  64           HB2      ASP  64  12.026  -9.408   1.957
  489   2HB   ASP  64           HB1      ASP  64  13.352  -8.616   2.820
  490    H    VAL  65           HN       VAL  65  10.234  -6.446   1.691
  491    HA   VAL  65           HA       VAL  65   8.671  -7.892  -0.248
  492    HB   VAL  65           HB       VAL  65   7.934  -5.184   0.910
  493   1HG1  VAL  65          HG11      VAL  65   6.507  -6.428  -0.811
  494   2HG1  VAL  65          HG13      VAL  65   6.225  -7.636   0.444
  495   3HG1  VAL  65          HG12      VAL  65   5.699  -5.968   0.688
  496   1HG2  VAL  65          HG23      VAL  65   8.165  -7.846   2.289
  497   2HG2  VAL  65          HG22      VAL  65   8.595  -6.247   2.885
  498   3HG2  VAL  65          HG21      VAL  65   6.902  -6.724   2.783
  499    H    ALA  66           HN       ALA  66   9.997  -4.580  -0.184
  500    HA   ALA  66           HA       ALA  66   8.907  -3.857  -2.741
  501   1HB   ALA  66           HB2      ALA  66   9.923  -2.394  -0.748
  502   2HB   ALA  66           HB1      ALA  66  11.380  -2.503  -1.738
  503   3HB   ALA  66           HB3      ALA  66   9.903  -1.806  -2.409
  504    H    SER  67           HN       SER  67  12.065  -5.165  -1.751
  505    HA   SER  67           HA       SER  67  13.320  -4.844  -4.297
  506   1HB   SER  67           HB2      SER  67  14.914  -6.535  -3.534
  507   2HB   SER  67           HB1      SER  67  14.552  -5.421  -2.218
  508    HG   SER  67           HG       SER  67  14.438  -7.587  -1.527
  509    H    GLU  68           HN       GLU  68  11.152  -7.288  -3.017
  510    HA   GLU  68           HA       GLU  68  11.503  -9.241  -5.081
  511   1HB   GLU  68           HB2      GLU  68  10.323  -9.662  -2.922
  512   2HB   GLU  68           HB1      GLU  68   9.006  -8.624  -3.464
  513   1HG   GLU  68           HG2      GLU  68   8.729 -10.144  -5.457
  514   2HG   GLU  68           HG1      GLU  68   9.918 -11.221  -4.732
  515    H    ALA  69           HN       ALA  69   9.355  -6.419  -4.788
  516    HA   ALA  69           HA       ALA  69   8.126  -6.970  -7.409
  517   1HB   ALA  69           HB2      ALA  69   6.772  -6.016  -5.578
  518   2HB   ALA  69           HB1      ALA  69   7.830  -4.604  -5.537
  519   3HB   ALA  69           HB3      ALA  69   6.835  -4.919  -6.960
  520    H    GLU  70           HN       GLU  70  11.045  -5.736  -6.552
  521    HA   GLU  70           HA       GLU  70  12.572  -4.286  -7.595
  522   1HB   GLU  70           HB2      GLU  70  10.787  -4.786 -10.000
  523   2HB   GLU  70           HB1      GLU  70  12.426  -4.140 -10.042
  524   1HG   GLU  70           HG2      GLU  70  11.693  -6.845  -8.916
  525   2HG   GLU  70           HG1      GLU  70  12.319  -6.579 -10.540
  526    H    VAL  71           HN       VAL  71  10.771  -2.861  -6.118
  527    HA   VAL  71           HA       VAL  71   9.200  -1.005  -7.627
  528    HB   VAL  71           HB       VAL  71  10.543  -0.502  -4.949
  529   1HG1  VAL  71          HG13      VAL  71   8.161   0.690  -6.400
  530   2HG1  VAL  71          HG12      VAL  71   8.481   0.971  -4.692
  531   3HG1  VAL  71          HG11      VAL  71   9.638   1.514  -5.909
  532   1HG2  VAL  71          HG23      VAL  71   7.923  -1.877  -5.668
  533   2HG2  VAL  71          HG22      VAL  71   9.278  -2.567  -4.777
  534   3HG2  VAL  71          HG21      VAL  71   8.298  -1.297  -4.045
  535    H    LYS  72           HN       LYS  72   9.823   0.758  -8.779
  536    HA   LYS  72           HA       LYS  72  12.712   1.459  -8.757
  537   1HB   LYS  72           HB2      LYS  72  10.558   2.012 -10.801
  538   2HB   LYS  72           HB1      LYS  72  12.257   2.446 -10.975
  539   1HG   LYS  72           HG2      LYS  72  11.453  -0.426 -10.425
  540   2HG   LYS  72           HG1      LYS  72  11.442   0.212 -12.068
  541   1HD   LYS  72           HD2      LYS  72  13.844   0.930 -11.716
  542   2HD   LYS  72           HD1      LYS  72  13.816   0.050 -10.188
  543   1HE   LYS  72           HE2      LYS  72  13.204  -2.020 -11.414
  544   2HE   LYS  72           HE1      LYS  72  13.314  -1.131 -12.933
  545   1HZ   LYS  72           HZ2      LYS  72  15.644  -0.539 -11.686
  546   2HZ   LYS  72           HZ1      LYS  72  15.407  -2.170 -11.277
  547   3HZ   LYS  72           HZ3      LYS  72  15.449  -1.705 -12.908
  548    H    ALA  73           HN       ALA  73   9.717   2.679  -7.650
  549    HA   ALA  73           HA       ALA  73  11.032   5.146  -6.838
  550   1HB   ALA  73           HB3      ALA  73  10.276   5.463  -9.283
  551   2HB   ALA  73           HB2      ALA  73   8.641   5.523  -8.622
  552   3HB   ALA  73           HB1      ALA  73   9.845   6.715  -8.116
  553    H    THR  74           HN       THR  74   9.778   6.394  -5.352
  554    HA   THR  74           HA       THR  74   7.305   5.055  -4.315
  555    HB   THR  74           HB       THR  74   8.056   5.540  -2.050
  556    HG1  THR  74           HG1      THR  74  10.190   6.559  -1.881
  557   1HG2  THR  74          HG22      THR  74   9.191   3.613  -3.437
  558   2HG2  THR  74          HG21      THR  74  10.616   4.646  -3.300
  559   3HG2  THR  74          HG23      THR  74   9.822   4.050  -1.844
  560    HA   PRO  75           HA       PRO  75   5.913   5.680  -2.560
  561   1HB   PRO  75           HB2      PRO  75   3.328   6.673  -2.536
  562   2HB   PRO  75           HB1      PRO  75   4.583   7.109  -1.366
  563   1HG   PRO  75           HG2      PRO  75   3.478   8.714  -3.601
  564   2HG   PRO  75           HG1      PRO  75   4.278   9.249  -2.116
  565   1HD   PRO  75           HD2      PRO  75   5.441   9.140  -4.718
  566   2HD   PRO  75           HD1      PRO  75   6.299   9.444  -3.182
  567    H    THR  76           HN       THR  76   4.901   3.816  -3.233
  568    HA   THR  76           HA       THR  76   3.483   3.853  -5.869
  569    HB   THR  76           HB       THR  76   5.418   1.715  -4.942
  570    HG1  THR  76           HG1      THR  76   5.701   4.042  -6.319
  571   1HG2  THR  76          HG23      THR  76   3.728   2.089  -7.418
  572   2HG2  THR  76          HG22      THR  76   5.103   0.990  -7.367
  573   3HG2  THR  76          HG21      THR  76   3.719   0.719  -6.309
  574    H    PHE  77           HN       PHE  77   1.571   2.878  -5.803
  575    HA   PHE  77           HA       PHE  77   0.849   1.311  -3.357
  576   1HB   PHE  77           HB2      PHE  77  -0.930   2.749  -5.358
  577   2HB   PHE  77           HB1      PHE  77  -1.468   1.935  -3.883
  578    HD1  PHE  77           HD1      PHE  77  -0.888   2.834  -1.652
  579    HD2  PHE  77           HD2      PHE  77   0.236   4.871  -5.263
  580    HE1  PHE  77           HE1      PHE  77  -0.374   4.874  -0.339
  581    HE2  PHE  77           HE2      PHE  77   0.749   6.920  -3.951
  582    HZ   PHE  77           HZ       PHE  77   0.444   6.916  -1.490
  583    H    GLN  78           HN       GLN  78   0.299  -0.810  -3.599
  584    HA   GLN  78           HA       GLN  78  -0.167  -1.866  -6.376
  585   1HB   GLN  78           HB2      GLN  78   1.334  -3.131  -4.064
  586   2HB   GLN  78           HB1      GLN  78   0.829  -4.019  -5.502
  587   1HG   GLN  78           HG2      GLN  78   2.084  -2.297  -6.879
  588   2HG   GLN  78           HG1      GLN  78   2.751  -1.681  -5.363
  589   1HE2  GLN  78          HE22      GLN  78   5.351  -4.053  -5.986
  590   2HE2  GLN  78          HE21      GLN  78   4.939  -2.411  -6.063
  591    H    PHE  79           HN       PHE  79  -1.873  -3.231  -6.594
  592    HA   PHE  79           HA       PHE  79  -3.630  -3.562  -4.185
  593   1HB   PHE  79           HB2      PHE  79  -4.246  -3.535  -7.148
  594   2HB   PHE  79           HB1      PHE  79  -5.434  -3.850  -5.879
  595    HD1  PHE  79           HD2      PHE  79  -2.966  -1.341  -7.115
  596    HD2  PHE  79           HD1      PHE  79  -6.401  -2.076  -4.648
  597    HE1  PHE  79           HE2      PHE  79  -3.216   1.098  -6.742
  598    HE2  PHE  79           HE1      PHE  79  -6.649   0.359  -4.269
  599    HZ   PHE  79           HZ       PHE  79  -5.066   1.946  -5.317
  600    H    PHE  80           HN       PHE  80  -4.121  -5.563  -3.499
  601    HA   PHE  80           HA       PHE  80  -3.391  -7.892  -5.216
  602   1HB   PHE  80           HB2      PHE  80  -2.944  -7.440  -2.271
  603   2HB   PHE  80           HB1      PHE  80  -2.898  -9.050  -2.997
  604    HD1  PHE  80           HD1      PHE  80  -1.167  -9.649  -4.629
  605    HD2  PHE  80           HD2      PHE  80  -1.184  -5.777  -2.747
  606    HE1  PHE  80           HE1      PHE  80   1.173  -9.284  -5.349
  607    HE2  PHE  80           HE2      PHE  80   1.158  -5.424  -3.471
  608    HZ   PHE  80           HZ       PHE  80   2.338  -7.174  -4.770
  609    H    LYS  81           HN       LYS  81  -4.779  -9.671  -5.138
  610    HA   LYS  81           HA       LYS  81  -7.197  -9.482  -3.428
  611   1HB   LYS  81           HB2      LYS  81  -7.658  -8.302  -5.610
  612   2HB   LYS  81           HB1      LYS  81  -7.331  -9.817  -6.446
  613   1HG   LYS  81           HG2      LYS  81  -9.736  -9.543  -6.142
  614   2HG   LYS  81           HG1      LYS  81  -9.164 -10.887  -5.162
  615   1HD   LYS  81           HD2      LYS  81  -9.488  -9.762  -3.155
  616   2HD   LYS  81           HD1      LYS  81  -9.239  -8.179  -3.880
  617   1HE   LYS  81           HE2      LYS  81 -11.581  -8.396  -3.284
  618   2HE   LYS  81           HE1      LYS  81 -11.447  -8.411  -5.040
  619   1HZ   LYS  81           HZ2      LYS  81 -11.286 -11.005  -3.751
  620   2HZ   LYS  81           HZ1      LYS  81 -12.791 -10.232  -3.628
  621   3HZ   LYS  81           HZ3      LYS  81 -12.121 -10.536  -5.156
  622    H    LYS  82           HN       LYS  82  -7.615 -11.491  -2.636
  623    HA   LYS  82           HA       LYS  82  -7.281 -13.787  -2.230
  624   1HB   LYS  82           HB2      LYS  82  -7.474 -13.847  -5.273
  625   2HB   LYS  82           HB1      LYS  82  -7.540 -15.264  -4.225
  626   1HG   LYS  82           HG2      LYS  82  -9.502 -14.141  -3.038
  627   2HG   LYS  82           HG1      LYS  82  -9.528 -12.996  -4.373
  628   1HD   LYS  82           HD2      LYS  82  -9.684 -14.942  -5.956
  629   2HD   LYS  82           HD1      LYS  82  -9.876 -15.993  -4.552
  630   1HE   LYS  82           HE2      LYS  82 -11.882 -14.771  -3.870
  631   2HE   LYS  82           HE1      LYS  82 -11.674 -13.648  -5.212
  632   1HZ   LYS  82           HZ1      LYS  82 -11.607 -16.127  -6.365
  633   2HZ   LYS  82           HZ3      LYS  82 -12.834 -16.252  -5.200
  634   3HZ   LYS  82           HZ2      LYS  82 -12.913 -15.040  -6.389
  635    H    GLY  83           HN       GLY  83  -4.922 -12.176  -2.369
  636   1HA   GLY  83           HA2      GLY  83  -2.612 -12.558  -2.335
  637   2HA   GLY  83           HA1      GLY  83  -2.951 -14.251  -2.691
  638    H    GLN  84           HN       GLN  84  -4.215 -11.782  -4.827
  639    HA   GLN  84           HA       GLN  84  -2.076 -12.420  -6.815
  640   1HB   GLN  84           HB2      GLN  84  -5.069 -12.302  -7.282
  641   2HB   GLN  84           HB1      GLN  84  -3.889 -12.303  -8.582
  642   1HG   GLN  84           HG2      GLN  84  -3.983 -14.461  -6.461
  643   2HG   GLN  84           HG1      GLN  84  -4.859 -14.580  -7.987
  644   1HE2  GLN  84          HE22      GLN  84  -1.124 -14.026  -9.196
  645   2HE2  GLN  84          HE21      GLN  84  -2.175 -12.788  -8.696
  646    H    LYS  85           HN       LYS  85  -1.242 -10.663  -7.905
  647    HA   LYS  85           HA       LYS  85  -2.120  -7.988  -7.070
  648   1HB   LYS  85           HB2      LYS  85   0.281  -8.609  -7.458
  649   2HB   LYS  85           HB1      LYS  85  -0.079  -8.732  -9.182
  650   1HG   LYS  85           HG2      LYS  85  -0.957  -6.344  -9.039
  651   2HG   LYS  85           HG1      LYS  85  -0.269  -6.273  -7.423
  652   1HD   LYS  85           HD2      LYS  85   1.295  -6.942  -9.928
  653   2HD   LYS  85           HD1      LYS  85   1.254  -5.353  -9.173
  654   1HE   LYS  85           HE2      LYS  85   3.202  -6.301  -8.271
  655   2HE   LYS  85           HE1      LYS  85   2.006  -6.626  -7.018
  656   1HZ   LYS  85           HZ2      LYS  85   2.020  -8.670  -8.994
  657   2HZ   LYS  85           HZ1      LYS  85   3.570  -8.469  -8.323
  658   3HZ   LYS  85           HZ3      LYS  85   2.245  -8.796  -7.314
  659    H    VAL  86           HN       VAL  86  -3.588  -6.766  -8.119
  660    HA   VAL  86           HA       VAL  86  -4.267  -7.449 -10.958
  661    HB   VAL  86           HB       VAL  86  -6.603  -6.748 -10.419
  662   1HG1  VAL  86          HG13      VAL  86  -5.774  -9.155 -10.328
  663   2HG1  VAL  86          HG12      VAL  86  -5.648  -8.958  -8.581
  664   3HG1  VAL  86          HG11      VAL  86  -7.216  -8.819  -9.371
  665   1HG2  VAL  86          HG22      VAL  86  -5.543  -6.766  -7.573
  666   2HG2  VAL  86          HG21      VAL  86  -6.064  -5.338  -8.465
  667   3HG2  VAL  86          HG23      VAL  86  -7.236  -6.585  -8.037
  668    H    GLY  87           HN       GLY  87  -2.765  -5.121  -9.191
  669   1HA   GLY  87           HA2      GLY  87  -3.045  -3.159 -11.257
  670   2HA   GLY  87           HA1      GLY  87  -4.117  -2.726  -9.931
  671    H    GLU  88           HN       GLU  88  -1.825  -1.251 -10.874
  672    HA   GLU  88           HA       GLU  88  -0.558  -0.712  -8.323
  673   1HB   GLU  88           HB2      GLU  88   0.880  -2.564  -8.871
  674   2HB   GLU  88           HB1      GLU  88   1.067  -2.008 -10.529
  675   1HG   GLU  88           HG2      GLU  88   1.978  -0.326  -8.178
  676   2HG   GLU  88           HG1      GLU  88   3.017  -1.554  -8.893
  677    H    PHE  89           HN       PHE  89   0.550   1.285  -8.351
  678    HA   PHE  89           HA       PHE  89   1.082   2.636 -10.859
  679   1HB   PHE  89           HB2      PHE  89  -0.557   4.362 -10.823
  680   2HB   PHE  89           HB1      PHE  89  -1.439   2.852 -10.619
  681    HD1  PHE  89           HD1      PHE  89   0.007   5.724  -8.775
  682    HD2  PHE  89           HD2      PHE  89  -2.795   2.478  -8.684
  683    HE1  PHE  89           HE1      PHE  89  -0.968   6.635  -6.683
  684    HE2  PHE  89           HE2      PHE  89  -3.770   3.382  -6.589
  685    HZ   PHE  89           HZ       PHE  89  -2.863   5.465  -5.593
  686    H    SER  90           HN       SER  90   2.001   4.815 -10.496
  687    HA   SER  90           HA       SER  90   3.067   5.190  -7.713
  688   1HB   SER  90           HB2      SER  90   5.160   5.992  -8.738
  689   2HB   SER  90           HB1      SER  90   4.837   4.315  -9.199
  690    HG   SER  90           HG       SER  90   3.649   5.555 -11.029
  691    H    GLY  91           HN       GLY  91   3.679   7.394  -7.229
  692   1HA   GLY  91           HA2      GLY  91   3.680   9.768  -8.098
  693   2HA   GLY  91           HA1      GLY  91   2.110   9.416  -8.806
  694    H    ALA  92           HN       ALA  92   3.007  11.332  -6.610
  695    HA   ALA  92           HA       ALA  92   1.726  10.313  -4.195
  696   1HB   ALA  92           HB2      ALA  92   2.739  13.046  -5.029
  697   2HB   ALA  92           HB1      ALA  92   2.035  12.723  -3.443
  698   3HB   ALA  92           HB3      ALA  92   3.516  11.903  -3.937
  699    H    ASN  93           HN       ASN  93  -0.307   9.816  -5.693
  700    HA   ASN  93           HA       ASN  93  -2.140  12.197  -5.573
  701   1HB   ASN  93           HB2      ASN  93  -1.666  11.358  -7.896
  702   2HB   ASN  93           HB1      ASN  93  -2.424   9.837  -7.430
  703   1HD2  ASN  93          HD22      ASN  93  -4.741  13.058  -8.235
  704   2HD2  ASN  93          HD21      ASN  93  -3.052  13.107  -8.388
  705    H    LYS  94           HN       LYS  94  -3.064  11.815  -3.590
  706    HA   LYS  94           HA       LYS  94  -3.789   9.224  -2.583
  707   1HB   LYS  94           HB2      LYS  94  -5.157  10.578  -0.968
  708   2HB   LYS  94           HB1      LYS  94  -3.451  10.999  -1.031
  709   1HG   LYS  94           HG2      LYS  94  -5.104  12.530  -2.958
  710   2HG   LYS  94           HG1      LYS  94  -5.584  12.799  -1.291
  711   1HD   LYS  94           HD2      LYS  94  -3.082  13.230  -0.815
  712   2HD   LYS  94           HD1      LYS  94  -2.887  13.306  -2.573
  713   1HE   LYS  94           HE2      LYS  94  -4.645  15.063  -2.653
  714   2HE   LYS  94           HE1      LYS  94  -4.764  15.002  -0.891
  715   1HZ   LYS  94           HZ2      LYS  94  -2.067  15.320  -1.800
  716   2HZ   LYS  94           HZ1      LYS  94  -3.070  16.579  -2.339
  717   3HZ   LYS  94           HZ3      LYS  94  -2.950  16.248  -0.682
  718    H    GLU  95           HN       GLU  95  -5.621  11.635  -4.482
  719    HA   GLU  95           HA       GLU  95  -8.193  10.423  -4.064
  720   1HB   GLU  95           HB2      GLU  95  -7.197  12.034  -6.431
  721   2HB   GLU  95           HB1      GLU  95  -8.883  11.693  -6.055
  722   1HG   GLU  95           HG2      GLU  95  -7.010  13.128  -4.164
  723   2HG   GLU  95           HG1      GLU  95  -8.100  13.954  -5.273
  724    H    LYS  96           HN       LYS  96  -5.518   9.682  -6.151
  725    HA   LYS  96           HA       LYS  96  -6.835   8.096  -8.124
  726   1HB   LYS  96           HB2      LYS  96  -4.426   8.888  -8.088
  727   2HB   LYS  96           HB1      LYS  96  -4.091   7.612  -6.933
  728   1HG   LYS  96           HG2      LYS  96  -4.495   5.910  -8.507
  729   2HG   LYS  96           HG1      LYS  96  -5.381   6.983  -9.591
  730   1HD   LYS  96           HD2      LYS  96  -2.494   7.631  -8.970
  731   2HD   LYS  96           HD1      LYS  96  -2.840   6.320 -10.109
  732   1HE   LYS  96           HE2      LYS  96  -4.234   7.879 -11.448
  733   2HE   LYS  96           HE1      LYS  96  -3.835   9.179 -10.327
  734   1HZ   LYS  96           HZ3      LYS  96  -1.776   7.607 -11.777
  735   2HZ   LYS  96           HZ2      LYS  96  -2.425   9.060 -12.371
  736   3HZ   LYS  96           HZ1      LYS  96  -1.563   9.050 -10.914
  737    H    LEU  97           HN       LEU  97  -5.612   7.402  -4.893
  738    HA   LEU  97           HA       LEU  97  -5.931   4.582  -4.873
  739   1HB   LEU  97           HB2      LEU  97  -6.202   6.684  -2.712
  740   2HB   LEU  97           HB1      LEU  97  -6.379   4.975  -2.357
  741    HG   LEU  97           HG       LEU  97  -3.948   6.168  -3.698
  742   1HD1  LEU  97          HD11      LEU  97  -4.551   5.651  -0.785
  743   2HD1  LEU  97          HD13      LEU  97  -2.905   5.794  -1.394
  744   3HD1  LEU  97          HD12      LEU  97  -4.018   7.154  -1.530
  745   1HD2  LEU  97          HD23      LEU  97  -4.729   3.431  -2.685
  746   2HD2  LEU  97          HD22      LEU  97  -3.862   3.872  -4.160
  747   3HD2  LEU  97          HD21      LEU  97  -3.039   3.918  -2.610
  748    H    GLU  98           HN       GLU  98  -8.154   7.211  -4.262
  749    HA   GLU  98           HA       GLU  98 -10.359   5.663  -3.334
  750   1HB   GLU  98           HB2      GLU  98 -10.194   8.125  -3.146
  751   2HB   GLU  98           HB1      GLU  98 -10.414   8.265  -4.886
  752   1HG   GLU  98           HG2      GLU  98 -12.424   6.824  -3.154
  753   2HG   GLU  98           HG1      GLU  98 -12.501   8.566  -3.399
  754    H    ALA  99           HN       ALA  99  -9.505   6.657  -6.649
  755    HA   ALA  99           HA       ALA  99 -11.884   5.530  -7.797
  756   1HB   ALA  99           HB3      ALA  99  -9.209   6.225  -9.029
  757   2HB   ALA  99           HB2      ALA  99 -10.621   5.719  -9.965
  758   3HB   ALA  99           HB1      ALA  99 -10.674   7.212  -9.025
  759    H    THR 100           HN       THR 100  -8.574   4.196  -7.506
  760    HA   THR 100           HA       THR 100  -9.153   1.812  -8.976
  761    HB   THR 100           HB       THR 100  -7.120   2.067  -6.744
  762    HG1  THR 100           HG1      THR 100  -6.192   3.468  -7.986
  763   1HG2  THR 100          HG23      THR 100  -7.273   0.383  -9.261
  764   2HG2  THR 100          HG22      THR 100  -5.910   0.413  -8.149
  765   3HG2  THR 100          HG21      THR 100  -7.478  -0.194  -7.611
  766    H    ILE 101           HN       ILE 101  -9.439   2.571  -5.520
  767    HA   ILE 101           HA       ILE 101 -10.067  -0.085  -4.610
  768    HB   ILE 101           HB       ILE 101 -10.871   2.659  -3.576
  769   1HG1  ILE 101          HG12      ILE 101  -8.984   0.685  -2.273
  770   2HG1  ILE 101          HG11      ILE 101  -8.408   1.768  -3.539
  771   1HG2  ILE 101          HG23      ILE 101 -11.400  -0.100  -2.450
  772   2HG2  ILE 101          HG22      ILE 101 -11.373   1.336  -1.431
  773   3HG2  ILE 101          HG21      ILE 101 -12.558   1.199  -2.734
  774   1HD1  ILE 101          HD13      ILE 101  -9.312   3.704  -2.213
  775   2HD1  ILE 101          HD12      ILE 101  -9.712   2.571  -0.921
  776   3HD1  ILE 101          HD11      ILE 101  -8.031   2.825  -1.379
  777    H    ASN 102           HN       ASN 102 -12.139   2.634  -5.577
  778    HA   ASN 102           HA       ASN 102 -14.619   1.265  -5.345
  779   1HB   ASN 102           HB2      ASN 102 -14.341   3.740  -5.597
  780   2HB   ASN 102           HB1      ASN 102 -13.879   3.485  -7.281
  781   1HD2  ASN 102          HD22      ASN 102 -17.755   3.663  -6.364
  782   2HD2  ASN 102          HD21      ASN 102 -16.508   4.184  -5.336
  783    H    GLU 103           HN       GLU 103 -12.235   1.473  -7.904
  784    HA   GLU 103           HA       GLU 103 -13.797   0.216  -9.955
  785   1HB   GLU 103           HB2      GLU 103 -11.656   1.584 -10.213
  786   2HB   GLU 103           HB1      GLU 103 -10.786   0.157  -9.664
  787   1HG   GLU 103           HG2      GLU 103 -12.701   0.067 -12.009
  788   2HG   GLU 103           HG1      GLU 103 -10.986   0.415 -12.199
  789    H    LEU 104           HN       LEU 104 -11.548  -1.060  -7.501
  790    HA   LEU 104           HA       LEU 104 -12.049  -3.825  -8.475
  791   1HB   LEU 104           HB2      LEU 104 -10.136  -2.753  -6.389
  792   2HB   LEU 104           HB1      LEU 104 -10.237  -4.436  -6.897
  793    HG   LEU 104           HG       LEU 104  -9.609  -2.127  -8.766
  794   1HD1  LEU 104          HD13      LEU 104  -7.782  -4.132  -7.413
  795   2HD1  LEU 104          HD12      LEU 104  -7.279  -2.973  -8.641
  796   3HD1  LEU 104          HD11      LEU 104  -7.854  -2.407  -7.071
  797   1HD2  LEU 104          HD21      LEU 104  -9.681  -5.145  -9.048
  798   2HD2  LEU 104          HD23      LEU 104 -10.421  -3.933 -10.093
  799   3HD2  LEU 104          HD22      LEU 104  -8.676  -4.162 -10.112
  800    H    VAL 105           HN       VAL 105 -13.384  -1.735  -6.132
  801    HA   VAL 105           HA       VAL 105 -13.701  -3.572  -3.946
  802    HB   VAL 105           HB       VAL 105 -14.197  -1.060  -3.894
  803   1HG1  VAL 105          HG12      VAL 105 -15.767  -1.320  -5.958
  804   2HG1  VAL 105          HG11      VAL 105 -16.967  -1.841  -4.786
  805   3HG1  VAL 105          HG13      VAL 105 -16.261  -0.233  -4.666
  806   1HG2  VAL 105          HG23      VAL 105 -16.223  -3.028  -2.794
  807   2HG2  VAL 105          HG22      VAL 105 -14.724  -2.522  -2.017
  808   3HG2  VAL 105          HG21      VAL 105 -16.037  -1.366  -2.234
  809    HA   PRO  59           HA       PRO 106  14.592  15.815 -13.638
  810   1HB   PRO  59           HB2      PRO 106  17.043  15.806 -11.903
  811   2HB   PRO  59           HB1      PRO 106  16.810  15.133 -13.531
  812   1HG   PRO  59           HG2      PRO 106  18.159  17.395 -13.172
  813   2HG   PRO  59           HG1      PRO 106  17.076  17.187 -14.561
  814   1HD   PRO  59           HD2      PRO 106  16.644  18.787 -12.063
  815   2HD   PRO  59           HD1      PRO 106  16.098  19.118 -13.725
  816    H    ALA  60           HN       ALA 107  15.001  17.043 -10.351
  817    HA   ALA  60           HA       ALA 107  14.085  14.465  -9.189
  818   1HB   ALA  60           HB1      ALA 107  15.033  17.058  -7.927
  819   2HB   ALA  60           HB3      ALA 107  14.542  15.629  -7.016
  820   3HB   ALA  60           HB2      ALA 107  15.956  15.563  -8.070
  821    H    THR  61           HN       THR 108  11.939  14.185  -8.760
  822    HA   THR  61           HA       THR 108  10.157  16.601  -8.736
  823    HB   THR  61           HB       THR 108   9.343  13.701  -9.073
  824    HG1  THR  61           HG1      THR 108  10.263  13.904 -10.944
  825   1HG2  THR  61          HG21      THR 108   7.587  15.300  -8.386
  826   2HG2  THR  61          HG23      THR 108   7.979  16.316  -9.768
  827   3HG2  THR  61          HG22      THR 108   7.308  14.706 -10.019
  828    H    LEU  62           HN       LEU 109   9.181  17.119  -6.835
  829    HA   LEU  62           HA       LEU 109   9.772  15.698  -4.402
  830   1HB   LEU  62           HB2      LEU 109   7.762  17.856  -5.069
  831   2HB   LEU  62           HB1      LEU 109   8.015  17.254  -3.433
  832    HG   LEU  62           HG       LEU 109  10.292  18.297  -5.132
  833   1HD1  LEU  62          HD13      LEU 109   8.452  19.833  -3.286
  834   2HD1  LEU  62          HD12      LEU 109  10.012  20.441  -3.838
  835   3HD1  LEU  62          HD11      LEU 109   8.728  20.122  -5.004
  836   1HD2  LEU  62          HD23      LEU 109   9.888  17.696  -2.192
  837   2HD2  LEU  62          HD22      LEU 109  11.170  17.134  -3.265
  838   3HD2  LEU  62          HD21      LEU 109  11.149  18.808  -2.724
  839    H    LYS  63           HN       LYS 110   7.148  15.590  -6.705
  840    HA   LYS  63           HA       LYS 110   5.233  14.235  -5.070
  841   1HB   LYS  63           HB2      LYS 110   5.640  14.047  -8.072
  842   2HB   LYS  63           HB1      LYS 110   4.192  13.568  -7.204
  843   1HG   LYS  63           HG2      LYS 110   5.314  16.383  -7.327
  844   2HG   LYS  63           HG1      LYS 110   3.920  15.798  -8.224
  845   1HD   LYS  63           HD2      LYS 110   2.915  15.201  -5.921
  846   2HD   LYS  63           HD1      LYS 110   4.178  16.230  -5.243
  847   1HE   LYS  63           HE2      LYS 110   3.400  18.047  -6.837
  848   2HE   LYS  63           HE1      LYS 110   2.004  17.032  -7.185
  849   1HZ   LYS  63           HZ3      LYS 110   2.769  17.877  -4.450
  850   2HZ   LYS  63           HZ2      LYS 110   1.648  18.711  -5.407
  851   3HZ   LYS  63           HZ1      LYS 110   1.333  17.114  -4.923
  852    H    ILE  64           HN       ILE 111   8.174  13.214  -6.534
  853    HA   ILE  64           HA       ILE 111   7.604  10.362  -5.763
  854    HB   ILE  64           HB       ILE 111   9.065  11.413  -8.213
  855   1HG1  ILE  64          HG12      ILE 111   6.621  11.306  -8.441
  856   2HG1  ILE  64          HG11      ILE 111   7.387  10.080  -9.442
  857   1HG2  ILE  64          HG21      ILE 111   8.977   8.654  -6.990
  858   2HG2  ILE  64          HG23      ILE 111   9.295   8.896  -8.710
  859   3HG2  ILE  64          HG22      ILE 111  10.389   9.583  -7.505
  860   1HD1  ILE  64          HD13      ILE 111   7.014   8.597  -7.218
  861   2HD1  ILE  64          HD12      ILE 111   5.709   9.754  -6.998
  862   3HD1  ILE  64          HD11      ILE 111   5.770   8.765  -8.455
  863    H    CYS  65           HN       CYS 112   9.328   9.363  -4.610
  864    HA   CYS  65           HA       CYS 112  11.672  11.116  -3.988
  865   1HB   CYS  65           HB2      CYS 112  11.138   8.490  -2.584
  866   2HB   CYS  65           HB1      CYS 112  11.999   9.902  -1.997
  867    H    SER  66           HN       SER 113  13.660  10.541  -4.899
  868    HA   SER  66           HA       SER 113  13.702   8.258  -6.736
  869   1HB   SER  66           HB2      SER 113  15.850  10.257  -5.971
  870   2HB   SER  66           HB1      SER 113  15.994   9.072  -7.265
  871    HG   SER  66           HG       SER 113  14.331  10.072  -8.340
  872    H    TRP  67           HN       TRP 114  14.774   6.305  -6.460
  873    HA   TRP  67           HA       TRP 114  15.538   5.481  -3.786
  874   1HB   TRP  67           HB2      TRP 114  15.758   4.120  -6.481
  875   2HB   TRP  67           HB1      TRP 114  16.273   3.357  -4.975
  876    HD1  TRP  67           HD1      TRP 114  13.129   5.367  -5.997
  877    HE1  TRP  67           HE1      TRP 114  11.060   4.078  -5.165
  878    HE3  TRP  67           HE3      TRP 114  15.394   1.348  -3.862
  879    HZ2  TRP  67           HZ2      TRP 114  10.471   1.675  -3.749
  880    HZ3  TRP  67           HZ3      TRP 114  14.073  -0.426  -2.777
  881    HH2  TRP  67           HH2      TRP 114  11.605  -0.276  -2.733
  882    H    ASN  68           HN       ASN 115  17.139   7.172  -6.208
  883    HA   ASN  68           HA       ASN 115  19.773   6.185  -6.170
  884   1HB   ASN  68           HB2      ASN 115  18.736   9.037  -6.306
  885   2HB   ASN  68           HB1      ASN 115  20.436   8.614  -6.546
  886   1HD2  ASN  68          HD22      ASN 115  18.449   6.430  -9.260
  887   2HD2  ASN  68          HD21      ASN 115  18.471   6.062  -7.605
  888    H    VAL  69           HN       VAL 116  17.933   7.402  -3.581
  889    HA   VAL  69           HA       VAL 116  19.899   8.662  -1.967
  890    HB   VAL  69           HB       VAL 116  18.453   7.791  -0.041
  891   1HG1  VAL  69          HG12      VAL 116  18.091   9.956  -1.369
  892   2HG1  VAL  69          HG11      VAL 116  16.873   9.072  -2.288
  893   3HG1  VAL  69          HG13      VAL 116  16.673   9.308  -0.554
  894   1HG2  VAL  69          HG22      VAL 116  17.766   5.734  -1.456
  895   2HG2  VAL  69          HG21      VAL 116  16.484   6.537  -0.555
  896   3HG2  VAL  69          HG23      VAL 116  16.662   6.828  -2.284
  897    H    ASP  70           HN       ASP 117  21.515   7.854  -0.642
  898    HA   ASP  70           HA       ASP 117  22.621   5.315  -1.270
  899   1HB   ASP  70           HB2      ASP 117  23.031   7.126   1.121
  900   2HB   ASP  70           HB1      ASP 117  23.967   5.655   0.852
  901    H    GLY  71           HN       GLY 118  20.473   6.332   1.360
  902   1HA   GLY  71           HA2      GLY 118  20.536   3.973   2.911
  903   2HA   GLY  71           HA1      GLY 118  19.140   5.047   2.799
   
  No H/Q in entry =         903
  Start of MODEL   18
    1   1H    MET   1           HT3      MET   1  -8.920  -1.177   9.883
    2   2H    MET   1           HT2      MET   1  -9.412  -2.490  10.845
    3   3H    MET   1           HT1      MET   1  -9.602  -0.899  11.411
    4    HA   MET   1           HA       MET   1  -7.465  -0.686  12.037
    5   1HB   MET   1           HB2      MET   1  -8.367  -2.759  13.127
    6   2HB   MET   1           HB1      MET   1  -7.636  -3.709  11.836
    7   1HG   MET   1           HG2      MET   1  -6.095  -3.735  13.682
    8   2HG   MET   1           HG1      MET   1  -5.407  -2.667  12.462
    9   1HE   MET   1           HE1      MET   1  -4.293  -2.659  15.161
   10   2HE   MET   1           HE3      MET   1  -3.817  -1.317  14.111
   11   3HE   MET   1           HE2      MET   1  -4.309  -1.009  15.775
   12    H    VAL   2           HN       VAL   2  -5.314  -0.567  11.369
   13    HA   VAL   2           HA       VAL   2  -4.794  -1.402   8.550
   14    HB   VAL   2           HB       VAL   2  -3.337   0.508  10.407
   15   1HG1  VAL   2          HG12      VAL   2  -2.836  -0.320   7.537
   16   2HG1  VAL   2          HG11      VAL   2  -2.179   1.162   8.232
   17   3HG1  VAL   2          HG13      VAL   2  -1.710  -0.407   8.892
   18   1HG2  VAL   2          HG22      VAL   2  -5.256   0.847   8.095
   19   2HG2  VAL   2          HG21      VAL   2  -5.405   1.486   9.731
   20   3HG2  VAL   2          HG23      VAL   2  -4.197   2.150   8.633
   21    H    LYS   3           HN       LYS   3  -2.661  -2.374   8.060
   22    HA   LYS   3           HA       LYS   3  -1.424  -3.830  10.374
   23   1HB   LYS   3           HB2      LYS   3  -2.906  -5.360   9.101
   24   2HB   LYS   3           HB1      LYS   3  -2.031  -4.958   7.622
   25   1HG   LYS   3           HG2      LYS   3  -0.043  -5.970   8.384
   26   2HG   LYS   3           HG1      LYS   3  -0.597  -6.043  10.050
   27   1HD   LYS   3           HD2      LYS   3  -2.341  -7.673   9.379
   28   2HD   LYS   3           HD1      LYS   3  -1.749  -7.605   7.719
   29   1HE   LYS   3           HE2      LYS   3   0.463  -8.404   8.479
   30   2HE   LYS   3           HE1      LYS   3  -0.144  -8.500  10.131
   31   1HZ   LYS   3           HZ2      LYS   3  -1.282  -9.975   7.817
   32   2HZ   LYS   3           HZ1      LYS   3  -0.219 -10.642   8.963
   33   3HZ   LYS   3           HZ3      LYS   3  -1.760 -10.121   9.442
   34    H    GLN   4           HN       GLN   4   0.702  -3.400  10.475
   35    HA   GLN   4           HA       GLN   4   2.043  -2.170   8.125
   36   1HB   GLN   4           HB2      GLN   4   2.278  -1.109  10.371
   37   2HB   GLN   4           HB1      GLN   4   3.038  -2.585  10.964
   38   1HG   GLN   4           HG2      GLN   4   4.835  -2.336   9.272
   39   2HG   GLN   4           HG1      GLN   4   4.086  -0.838   8.713
   40   1HE2  GLN   4          HE22      GLN   4   6.166   0.824  11.041
   41   2HE2  GLN   4          HE21      GLN   4   5.773   0.600   9.405
   42    H    ILE   5           HN       ILE   5   3.263  -3.434   6.827
   43    HA   ILE   5           HA       ILE   5   4.027  -6.165   7.772
   44    HB   ILE   5           HB       ILE   5   4.269  -4.982   4.998
   45   1HG1  ILE   5          HG12      ILE   5   1.905  -4.846   5.730
   46   2HG1  ILE   5          HG11      ILE   5   2.125  -6.031   4.446
   47   1HG2  ILE   5          HG21      ILE   5   4.206  -7.789   6.098
   48   2HG2  ILE   5          HG23      ILE   5   4.121  -7.400   4.387
   49   3HG2  ILE   5          HG22      ILE   5   5.561  -6.980   5.308
   50   1HD1  ILE   5          HD11      ILE   5   2.174  -7.844   6.153
   51   2HD1  ILE   5          HD13      ILE   5   1.894  -6.644   7.408
   52   3HD1  ILE   5          HD12      ILE   5   0.665  -6.939   6.191
   53    H    GLU   6           HN       GLU   6   6.055  -6.174   8.694
   54    HA   GLU   6           HA       GLU   6   8.095  -4.258   7.691
   55   1HB   GLU   6           HB2      GLU   6   8.159  -6.151  10.062
   56   2HB   GLU   6           HB1      GLU   6   9.377  -4.935   9.668
   57   1HG   GLU   6           HG2      GLU   6   8.061  -3.797  11.235
   58   2HG   GLU   6           HG1      GLU   6   7.368  -3.259   9.708
   59    H    SER   7           HN       SER   7   7.071  -7.323   6.924
   60    HA   SER   7           HA       SER   7   9.669  -7.924   5.653
   61   1HB   SER   7           HB2      SER   7   9.811 -10.197   6.599
   62   2HB   SER   7           HB1      SER   7   9.935  -8.970   7.859
   63    HG   SER   7           HG       SER   7   8.080 -10.913   7.489
   64    H    LYS   8           HN       LYS   8   9.537  -9.681   4.121
   65    HA   LYS   8           HA       LYS   8   7.100  -9.735   2.600
   66   1HB   LYS   8           HB2      LYS   8   9.466 -10.239   1.756
   67   2HB   LYS   8           HB1      LYS   8   9.294 -11.820   2.526
   68   1HG   LYS   8           HG2      LYS   8   7.065 -11.993   1.202
   69   2HG   LYS   8           HG1      LYS   8   7.715 -10.668   0.233
   70   1HD   LYS   8           HD2      LYS   8   9.066 -13.345   0.701
   71   2HD   LYS   8           HD1      LYS   8   8.268 -12.839  -0.787
   72   1HE   LYS   8           HE2      LYS   8   9.874 -10.835  -0.774
   73   2HE   LYS   8           HE1      LYS   8  10.781 -11.720   0.451
   74   1HZ   LYS   8           HZ3      LYS   8  10.141 -13.450  -1.672
   75   2HZ   LYS   8           HZ2      LYS   8  10.877 -12.054  -2.304
   76   3HZ   LYS   8           HZ1      LYS   8  11.671 -12.974  -1.116
   77    H    THR   9           HN       THR   9   8.477 -11.743   5.116
   78    HA   THR   9           HA       THR   9   6.832 -14.023   4.852
   79    HB   THR   9           HB       THR   9   7.850 -12.766   7.414
   80    HG1  THR   9           HG1      THR   9   9.263 -13.494   5.477
   81   1HG2  THR   9          HG21      THR   9   6.975 -15.587   6.743
   82   2HG2  THR   9          HG23      THR   9   7.751 -15.105   8.250
   83   3HG2  THR   9          HG22      THR   9   6.159 -14.469   7.838
   84    H    ALA  10           HN       ALA  10   6.307 -11.060   6.753
   85    HA   ALA  10           HA       ALA  10   3.657 -11.849   7.583
   86   1HB   ALA  10           HB1      ALA  10   5.204  -9.267   7.595
   87   2HB   ALA  10           HB3      ALA  10   3.478  -9.245   7.957
   88   3HB   ALA  10           HB2      ALA  10   4.581 -10.187   8.960
   89    H    PHE  11           HN       PHE  11   4.981 -10.200   4.775
   90    HA   PHE  11           HA       PHE  11   2.591  -9.040   3.759
   91   1HB   PHE  11           HB2      PHE  11   4.964  -8.781   2.824
   92   2HB   PHE  11           HB1      PHE  11   4.759 -10.358   2.089
   93    HD1  PHE  11           HD1      PHE  11   2.883  -7.115   2.399
   94    HD2  PHE  11           HD2      PHE  11   3.970 -10.434  -0.109
   95    HE1  PHE  11           HE1      PHE  11   1.695  -6.072   0.493
   96    HE2  PHE  11           HE2      PHE  11   2.769  -9.392  -2.010
   97    HZ   PHE  11           HZ       PHE  11   1.632  -7.211  -1.707
   98    H    GLN  12           HN       GLN  12   3.972 -12.280   3.331
   99    HA   GLN  12           HA       GLN  12   1.922 -13.260   1.567
  100   1HB   GLN  12           HB2      GLN  12   3.749 -14.708   3.521
  101   2HB   GLN  12           HB1      GLN  12   2.801 -15.494   2.258
  102   1HG   GLN  12           HG2      GLN  12   4.889 -13.349   1.766
  103   2HG   GLN  12           HG1      GLN  12   5.163 -15.079   1.561
  104   1HE2  GLN  12          HE22      GLN  12   2.938 -15.271  -1.325
  105   2HE2  GLN  12          HE21      GLN  12   3.318 -16.145   0.080
  106    H    GLU  13           HN       GLU  13   2.342 -13.402   5.090
  107    HA   GLU  13           HA       GLU  13  -0.014 -14.947   5.650
  108   1HB   GLU  13           HB2      GLU  13   1.754 -13.114   7.261
  109   2HB   GLU  13           HB1      GLU  13   0.290 -13.763   7.975
  110   1HG   GLU  13           HG2      GLU  13   2.180 -15.226   8.509
  111   2HG   GLU  13           HG1      GLU  13   1.073 -16.065   7.426
  112    H    ALA  14           HN       ALA  14   0.541 -11.446   5.431
  113    HA   ALA  14           HA       ALA  14  -2.076 -10.701   6.349
  114   1HB   ALA  14           HB2      ALA  14  -0.109  -9.230   4.567
  115   2HB   ALA  14           HB1      ALA  14  -1.570  -8.509   5.246
  116   3HB   ALA  14           HB3      ALA  14  -0.282  -9.062   6.315
  117    H    LEU  15           HN       LEU  15  -0.764 -11.385   3.109
  118    HA   LEU  15           HA       LEU  15  -3.085 -10.621   1.647
  119   1HB   LEU  15           HB2      LEU  15  -0.980 -12.729   1.096
  120   2HB   LEU  15           HB1      LEU  15  -2.235 -12.296  -0.064
  121    HG   LEU  15           HG       LEU  15  -0.371 -10.250   1.157
  122   1HD1  LEU  15          HD11      LEU  15   0.025 -12.070  -1.205
  123   2HD1  LEU  15          HD13      LEU  15   0.726 -10.452  -1.221
  124   3HD1  LEU  15          HD12      LEU  15   1.178 -11.595   0.041
  125   1HD2  LEU  15          HD21      LEU  15  -2.336 -10.269  -1.136
  126   2HD2  LEU  15          HD23      LEU  15  -2.183  -9.108   0.179
  127   3HD2  LEU  15          HD22      LEU  15  -0.996  -9.124  -1.120
  128    H    ASP  16           HN       ASP  16  -2.148 -13.625   3.256
  129    HA   ASP  16           HA       ASP  16  -4.436 -15.146   2.405
  130   1HB   ASP  16           HB2      ASP  16  -2.226 -16.037   3.371
  131   2HB   ASP  16           HB1      ASP  16  -2.882 -15.618   4.956
  132    H    ALA  17           HN       ALA  17  -3.750 -13.129   5.225
  133    HA   ALA  17           HA       ALA  17  -6.096 -13.853   6.712
  134   1HB   ALA  17           HB2      ALA  17  -4.120 -12.720   7.709
  135   2HB   ALA  17           HB1      ALA  17  -4.520 -11.266   6.796
  136   3HB   ALA  17           HB3      ALA  17  -5.618 -11.851   8.045
  137    H    ALA  18           HN       ALA  18  -5.453 -11.334   4.312
  138    HA   ALA  18           HA       ALA  18  -7.898  -9.894   4.624
  139   1HB   ALA  18           HB3      ALA  18  -5.988 -10.258   2.320
  140   2HB   ALA  18           HB2      ALA  18  -7.442  -9.270   2.161
  141   3HB   ALA  18           HB1      ALA  18  -6.207  -8.841   3.345
  142    H    GLY  19           HN       GLY  19  -7.096 -12.837   2.874
  143   1HA   GLY  19           HA2      GLY  19  -8.503 -14.446   1.904
  144   2HA   GLY  19           HA1      GLY  19  -9.851 -13.658   2.723
  145    H    ASP  20           HN       ASP  20 -11.368 -13.074   1.240
  146    HA   ASP  20           HA       ASP  20 -10.533 -12.405  -1.520
  147   1HB   ASP  20           HB2      ASP  20 -13.293 -12.700  -0.301
  148   2HB   ASP  20           HB1      ASP  20 -12.948 -12.448  -2.012
  149    H    LYS  21           HN       LYS  21 -10.643 -10.641   1.221
  150    HA   LYS  21           HA       LYS  21 -12.213  -8.347   0.327
  151   1HB   LYS  21           HB2      LYS  21 -10.132  -8.651   2.510
  152   2HB   LYS  21           HB1      LYS  21 -11.048  -7.171   2.226
  153   1HG   LYS  21           HG2      LYS  21 -13.148  -8.726   2.421
  154   2HG   LYS  21           HG1      LYS  21 -12.032  -9.849   3.200
  155   1HD   LYS  21           HD2      LYS  21 -11.360  -7.838   4.691
  156   2HD   LYS  21           HD1      LYS  21 -12.833  -7.077   4.088
  157   1HE   LYS  21           HE2      LYS  21 -14.124  -9.068   4.858
  158   2HE   LYS  21           HE1      LYS  21 -12.641  -9.716   5.558
  159   1HZ   LYS  21           HZ1      LYS  21 -13.292  -6.982   6.270
  160   2HZ   LYS  21           HZ3      LYS  21 -14.336  -8.167   6.890
  161   3HZ   LYS  21           HZ2      LYS  21 -12.673  -8.239   7.229
  162    H    LEU  22           HN       LEU  22 -11.360  -6.343  -0.480
  163    HA   LEU  22           HA       LEU  22  -9.187  -6.578  -2.283
  164   1HB   LEU  22           HB2      LEU  22 -11.167  -4.710  -1.819
  165   2HB   LEU  22           HB1      LEU  22  -9.750  -3.854  -1.234
  166    HG   LEU  22           HG       LEU  22 -10.163  -5.003  -4.000
  167   1HD1  LEU  22          HD11      LEU  22 -10.478  -2.326  -2.778
  168   2HD1  LEU  22          HD13      LEU  22  -9.474  -2.312  -4.225
  169   3HD1  LEU  22          HD12      LEU  22 -11.112  -2.959  -4.289
  170   1HD2  LEU  22          HD23      LEU  22  -7.697  -3.879  -2.659
  171   2HD2  LEU  22          HD22      LEU  22  -7.847  -5.349  -3.624
  172   3HD2  LEU  22          HD21      LEU  22  -7.904  -3.777  -4.403
  173    H    VAL  23           HN       VAL  23  -7.012  -5.569  -2.073
  174    HA   VAL  23           HA       VAL  23  -6.149  -4.946   0.691
  175    HB   VAL  23           HB       VAL  23  -4.815  -7.021  -1.071
  176   1HG1  VAL  23          HG12      VAL  23  -4.118  -5.799   1.606
  177   2HG1  VAL  23          HG11      VAL  23  -3.447  -7.340   1.070
  178   3HG1  VAL  23          HG13      VAL  23  -3.122  -5.870   0.154
  179   1HG2  VAL  23          HG22      VAL  23  -6.469  -7.221   1.450
  180   2HG2  VAL  23          HG21      VAL  23  -6.751  -8.022  -0.093
  181   3HG2  VAL  23          HG23      VAL  23  -5.390  -8.507   0.917
  182    H    VAL  24           HN       VAL  24  -5.308  -2.945   0.412
  183    HA   VAL  24           HA       VAL  24  -3.808  -2.345  -2.099
  184    HB   VAL  24           HB       VAL  24  -4.675  -0.439   0.105
  185   1HG1  VAL  24          HG12      VAL  24  -2.791   0.240  -1.452
  186   2HG1  VAL  24          HG11      VAL  24  -3.943   0.117  -2.781
  187   3HG1  VAL  24          HG13      VAL  24  -4.202   1.297  -1.497
  188   1HG2  VAL  24          HG21      VAL  24  -6.044  -1.268  -2.464
  189   2HG2  VAL  24          HG23      VAL  24  -6.686  -1.368  -0.824
  190   3HG2  VAL  24          HG22      VAL  24  -6.455   0.204  -1.587
  191    H    VAL  25           HN       VAL  25  -1.593  -1.792  -1.976
  192    HA   VAL  25           HA       VAL  25  -0.335  -1.980   0.751
  193    HB   VAL  25           HB       VAL  25   0.913  -2.911  -1.847
  194   1HG1  VAL  25          HG11      VAL  25   2.357  -2.211   0.138
  195   2HG1  VAL  25          HG13      VAL  25   1.651  -3.575   1.003
  196   3HG1  VAL  25          HG12      VAL  25   2.604  -3.851  -0.453
  197   1HG2  VAL  25          HG22      VAL  25  -1.146  -4.240  -1.120
  198   2HG2  VAL  25          HG21      VAL  25   0.349  -5.162  -1.248
  199   3HG2  VAL  25          HG23      VAL  25  -0.246  -4.662   0.335
  200    H    ASP  26           HN       ASP  26   0.729  -0.179   1.294
  201    HA   ASP  26           HA       ASP  26   1.467   1.773  -0.856
  202   1HB   ASP  26           HB2      ASP  26   0.038   2.613   0.967
  203   2HB   ASP  26           HB1      ASP  26   1.249   2.139   2.155
  204    H    PHE  27           HN       PHE  27   3.551   1.758  -1.469
  205    HA   PHE  27           HA       PHE  27   5.658   0.637   0.315
  206   1HB   PHE  27           HB2      PHE  27   5.587   1.350  -2.624
  207   2HB   PHE  27           HB1      PHE  27   7.080   0.906  -1.790
  208    HD1  PHE  27           HD1      PHE  27   7.257  -1.339  -0.673
  209    HD2  PHE  27           HD2      PHE  27   3.993  -0.303  -3.267
  210    HE1  PHE  27           HE1      PHE  27   6.707  -3.743  -0.941
  211    HE2  PHE  27           HE2      PHE  27   3.448  -2.700  -3.525
  212    HZ   PHE  27           HZ       PHE  27   4.794  -4.421  -2.363
  213    H    SER  28           HN       SER  28   4.364   3.406   0.566
  214    HA   SER  28           HA       SER  28   6.206   5.373  -0.293
  215   1HB   SER  28           HB2      SER  28   4.528   5.387   2.231
  216   2HB   SER  28           HB1      SER  28   5.291   6.794   1.504
  217    HG   SER  28           HG       SER  28   2.948   6.094   0.987
  218    H    ALA  29           HN       ALA  29   8.001   6.305   0.648
  219    HA   ALA  29           HA       ALA  29   9.479   4.594   2.529
  220   1HB   ALA  29           HB1      ALA  29  10.109   6.959   0.791
  221   2HB   ALA  29           HB3      ALA  29  11.137   6.696   2.202
  222   3HB   ALA  29           HB2      ALA  29  10.988   5.444   0.967
  223    H    THR  30           HN       THR  30   9.449   4.950   4.702
  224    HA   THR  30           HA       THR  30   7.827   7.076   5.775
  225    HB   THR  30           HB       THR  30   8.154   4.955   6.998
  226    HG1  THR  30           HG1      THR  30   8.744   7.439   8.042
  227   1HG2  THR  30          HG22      THR  30  10.558   4.683   6.283
  228   2HG2  THR  30          HG21      THR  30  10.984   5.912   7.475
  229   3HG2  THR  30          HG23      THR  30  10.271   4.386   7.998
  230    H    TRP  31           HN       TRP  31  11.241   6.741   5.014
  231    HA   TRP  31           HA       TRP  31  12.045   9.088   6.571
  232   1HB   TRP  31           HB2      TRP  31  14.180   8.893   5.384
  233   2HB   TRP  31           HB1      TRP  31  13.673   7.319   5.996
  234    HD1  TRP  31           HD1      TRP  31  13.190   5.452   4.289
  235    HE1  TRP  31           HE1      TRP  31  13.416   5.250   1.730
  236    HE3  TRP  31           HE3      TRP  31  13.871  10.362   3.064
  237    HZ2  TRP  31           HZ2      TRP  31  13.811   6.932  -0.528
  238    HZ3  TRP  31           HZ3      TRP  31  14.155  11.029   0.696
  239    HH2  TRP  31           HH2      TRP  31  14.127   9.324  -1.100
  240    H    CYS  32           HN       CYS  32  10.624   8.568   3.457
  241    HA   CYS  32           HA       CYS  32  11.578  11.138   2.393
  242   1HB   CYS  32           HB2      CYS  32  11.114   9.107   0.942
  243   2HB   CYS  32           HB1      CYS  32   9.402   9.333   1.287
  244    H    GLY  33           HN       GLY  33  10.659  13.000   2.905
  245   1HA   GLY  33           HA2      GLY  33   8.432  13.220   4.653
  246   2HA   GLY  33           HA1      GLY  33   9.141  14.552   3.751
  247    HA   PRO  34           HA       PRO  34   5.774  14.698   0.923
  248   1HB   PRO  34           HB2      PRO  34   6.701  13.600  -1.531
  249   2HB   PRO  34           HB1      PRO  34   6.764  15.298  -1.039
  250   1HG   PRO  34           HG2      PRO  34   8.943  13.301  -1.132
  251   2HG   PRO  34           HG1      PRO  34   9.040  15.066  -1.125
  252   1HD   PRO  34           HD2      PRO  34   9.684  13.424   1.036
  253   2HD   PRO  34           HD1      PRO  34   9.307  15.153   1.166
  254    H    ALA  35           HN       ALA  35   7.360  11.526   0.854
  255    HA   ALA  35           HA       ALA  35   4.966  10.152  -0.091
  256   1HB   ALA  35           HB1      ALA  35   7.529   9.443  -0.152
  257   2HB   ALA  35           HB3      ALA  35   7.140   8.719   1.409
  258   3HB   ALA  35           HB2      ALA  35   6.264   8.223  -0.041
  259    H    LYS  36           HN       LYS  36   6.650  10.208   3.085
  260    HA   LYS  36           HA       LYS  36   4.609   8.817   4.499
  261   1HB   LYS  36           HB2      LYS  36   6.928   9.258   5.349
  262   2HB   LYS  36           HB1      LYS  36   6.444  10.929   5.654
  263   1HG   LYS  36           HG2      LYS  36   4.582  10.085   7.090
  264   2HG   LYS  36           HG1      LYS  36   5.181   8.445   6.850
  265   1HD   LYS  36           HD2      LYS  36   7.332   9.063   7.873
  266   2HD   LYS  36           HD1      LYS  36   6.761  10.720   8.088
  267   1HE   LYS  36           HE2      LYS  36   5.475   8.260   9.303
  268   2HE   LYS  36           HE1      LYS  36   6.502   9.403  10.169
  269   1HZ   LYS  36           HZ3      LYS  36   4.804  11.107   9.188
  270   2HZ   LYS  36           HZ2      LYS  36   3.783   9.750   9.137
  271   3HZ   LYS  36           HZ1      LYS  36   4.453  10.257  10.613
  272    H    MET  37           HN       MET  37   5.016  12.274   3.837
  273    HA   MET  37           HA       MET  37   2.972  13.269   5.539
  274   1HB   MET  37           HB2      MET  37   4.664  14.629   4.261
  275   2HB   MET  37           HB1      MET  37   3.720  14.339   2.803
  276   1HG   MET  37           HG2      MET  37   2.449  15.522   5.276
  277   2HG   MET  37           HG1      MET  37   3.273  16.537   4.094
  278   1HE   MET  37           HE1      MET  37   0.576  17.147   4.846
  279   2HE   MET  37           HE3      MET  37   1.138  17.956   3.377
  280   3HE   MET  37           HE2      MET  37  -0.456  17.208   3.420
  281    H    ILE  38           HN       ILE  38   2.805  11.666   2.443
  282    HA   ILE  38           HA       ILE  38  -0.013  12.330   1.998
  283    HB   ILE  38           HB       ILE  38   1.864  10.415   0.585
  284   1HG1  ILE  38          HG12      ILE  38   0.740  13.025  -0.444
  285   2HG1  ILE  38          HG11      ILE  38   2.208  12.992   0.528
  286   1HG2  ILE  38          HG23      ILE  38  -1.040  11.093   0.162
  287   2HG2  ILE  38          HG22      ILE  38  -0.025  10.742  -1.237
  288   3HG2  ILE  38          HG21      ILE  38  -0.225   9.534   0.028
  289   1HD1  ILE  38          HD12      ILE  38   3.146  11.303  -1.114
  290   2HD1  ILE  38          HD11      ILE  38   1.742  11.633  -2.129
  291   3HD1  ILE  38          HD13      ILE  38   2.889  12.920  -1.763
  292    H    LYS  39           HN       LYS  39   1.483  10.107   4.066
  293    HA   LYS  39           HA       LYS  39  -0.150   7.835   3.499
  294   1HB   LYS  39           HB2      LYS  39   0.628   6.774   5.412
  295   2HB   LYS  39           HB1      LYS  39   1.965   7.797   4.923
  296   1HG   LYS  39           HG2      LYS  39   1.480   9.397   6.667
  297   2HG   LYS  39           HG1      LYS  39  -0.031   8.601   7.081
  298   1HD   LYS  39           HD2      LYS  39   2.758   7.464   7.415
  299   2HD   LYS  39           HD1      LYS  39   1.699   8.035   8.701
  300   1HE   LYS  39           HE2      LYS  39   0.027   6.240   7.677
  301   2HE   LYS  39           HE1      LYS  39   1.525   5.510   7.094
  302   1HZ   LYS  39           HZ3      LYS  39   1.201   6.359   9.904
  303   2HZ   LYS  39           HZ2      LYS  39   0.711   4.822   9.376
  304   3HZ   LYS  39           HZ1      LYS  39   2.342   5.287   9.252
  305    HA   PRO  40           HA       PRO  40  -3.006   9.558   7.114
  306   1HB   PRO  40           HB2      PRO  40  -3.514  12.190   5.806
  307   2HB   PRO  40           HB1      PRO  40  -3.355  11.800   7.531
  308   1HG   PRO  40           HG2      PRO  40  -1.410  13.105   6.211
  309   2HG   PRO  40           HG1      PRO  40  -1.039  11.930   7.481
  310   1HD   PRO  40           HD2      PRO  40  -0.829  11.624   4.523
  311   2HD   PRO  40           HD1      PRO  40   0.216  10.938   5.777
  312    H    PHE  41           HN       PHE  41  -3.310  10.594   3.698
  313    HA   PHE  41           HA       PHE  41  -6.154  10.087   3.635
  314   1HB   PHE  41           HB2      PHE  41  -4.022  10.310   1.496
  315   2HB   PHE  41           HB1      PHE  41  -5.708   9.967   1.108
  316    HD1  PHE  41           HD2      PHE  41  -3.588  12.356   3.037
  317    HD2  PHE  41           HD1      PHE  41  -7.220  11.725   0.848
  318    HE1  PHE  41           HE2      PHE  41  -4.119  14.772   3.240
  319    HE2  PHE  41           HE1      PHE  41  -7.764  14.136   1.055
  320    HZ   PHE  41           HZ       PHE  41  -6.217  15.662   2.248
  321    H    PHE  42           HN       PHE  42  -3.272   8.209   2.738
  322    HA   PHE  42           HA       PHE  42  -4.638   5.866   1.838
  323   1HB   PHE  42           HB2      PHE  42  -2.270   6.164   1.404
  324   2HB   PHE  42           HB1      PHE  42  -1.910   6.235   3.131
  325    HD1  PHE  42           HD1      PHE  42  -3.213   4.018   0.427
  326    HD2  PHE  42           HD2      PHE  42  -1.618   4.259   4.408
  327    HE1  PHE  42           HE1      PHE  42  -3.032   1.552   0.507
  328    HE2  PHE  42           HE2      PHE  42  -1.433   1.787   4.482
  329    HZ   PHE  42           HZ       PHE  42  -2.144   0.431   2.533
  330    H    HIS  43           HN       HIS  43  -3.202   6.598   5.007
  331    HA   HIS  43           HA       HIS  43  -4.223   4.284   6.339
  332   1HB   HIS  43           HB2      HIS  43  -2.269   5.556   7.125
  333   2HB   HIS  43           HB1      HIS  43  -3.291   6.955   7.438
  334    HD1  HIS  43           HD1      HIS  43  -2.297   3.648   8.833
  335    HD2  HIS  43           HD2      HIS  43  -5.048   6.651   9.678
  336    HE1  HIS  43           HE1      HIS  43  -3.238   3.122  11.121
  337    H    SER  44           HN       SER  44  -5.465   7.617   6.056
  338    HA   SER  44           HA       SER  44  -7.614   7.351   7.902
  339   1HB   SER  44           HB2      SER  44  -7.396   9.104   5.440
  340   2HB   SER  44           HB1      SER  44  -8.677   9.233   6.641
  341    HG   SER  44           HG       SER  44  -7.138   9.725   8.189
  342    H    LEU  45           HN       LEU  45  -7.381   6.551   4.459
  343    HA   LEU  45           HA       LEU  45 -10.130   6.037   3.982
  344   1HB   LEU  45           HB2      LEU  45  -7.638   4.913   2.734
  345   2HB   LEU  45           HB1      LEU  45  -9.236   4.479   2.160
  346    HG   LEU  45           HG       LEU  45  -8.474   7.394   2.447
  347   1HD1  LEU  45          HD13      LEU  45  -7.753   5.490   0.209
  348   2HD1  LEU  45          HD12      LEU  45  -7.938   7.221  -0.077
  349   3HD1  LEU  45          HD11      LEU  45  -6.707   6.640   1.044
  350   1HD2  LEU  45          HD22      LEU  45 -10.428   5.832   0.723
  351   2HD2  LEU  45          HD21      LEU  45 -10.819   6.979   2.004
  352   3HD2  LEU  45          HD23      LEU  45 -10.094   7.547   0.505
  353    H    SER  46           HN       SER  46  -7.758   4.179   5.700
  354    HA   SER  46           HA       SER  46  -8.823   1.583   5.471
  355   1HB   SER  46           HB2      SER  46  -7.675   2.891   7.954
  356   2HB   SER  46           HB1      SER  46  -7.851   1.161   7.695
  357    HG   SER  46           HG       SER  46  -6.554   2.555   5.688
  358    H    GLU  47           HN       GLU  47  -9.846   4.287   7.523
  359    HA   GLU  47           HA       GLU  47 -12.003   2.654   8.713
  360   1HB   GLU  47           HB2      GLU  47 -11.169   5.554   9.044
  361   2HB   GLU  47           HB1      GLU  47 -12.553   4.839   9.871
  362   1HG   GLU  47           HG2      GLU  47 -10.719   4.664  11.396
  363   2HG   GLU  47           HG1      GLU  47 -10.951   3.047  10.732
  364    H    LYS  48           HN       LYS  48 -11.549   4.598   5.958
  365    HA   LYS  48           HA       LYS  48 -14.335   5.503   5.759
  366   1HB   LYS  48           HB2      LYS  48 -12.187   6.578   4.747
  367   2HB   LYS  48           HB1      LYS  48 -12.348   5.361   3.483
  368   1HG   LYS  48           HG2      LYS  48 -14.237   7.603   4.197
  369   2HG   LYS  48           HG1      LYS  48 -13.460   7.277   2.654
  370   1HD   LYS  48           HD2      LYS  48 -14.812   5.131   2.572
  371   2HD   LYS  48           HD1      LYS  48 -15.733   5.767   3.936
  372   1HE   LYS  48           HE2      LYS  48 -16.365   7.727   2.648
  373   2HE   LYS  48           HE1      LYS  48 -15.369   7.194   1.293
  374   1HZ   LYS  48           HZ1      LYS  48 -17.320   5.291   2.304
  375   2HZ   LYS  48           HZ3      LYS  48 -17.947   6.642   1.491
  376   3HZ   LYS  48           HZ2      LYS  48 -16.843   5.616   0.705
  377    H    TYR  49           HN       TYR  49 -12.220   2.988   4.576
  378    HA   TYR  49           HA       TYR  49 -14.586   1.433   3.551
  379   1HB   TYR  49           HB2      TYR  49 -11.741   1.610   2.503
  380   2HB   TYR  49           HB1      TYR  49 -12.877   0.358   1.999
  381    HD1  TYR  49           HD2      TYR  49 -14.956   0.987   0.788
  382    HD2  TYR  49           HD1      TYR  49 -11.907   3.865   1.701
  383    HE1  TYR  49           HE2      TYR  49 -15.932   2.543  -0.876
  384    HE2  TYR  49           HE1      TYR  49 -12.885   5.426   0.039
  385    HH   TYR  49           HH       TYR  49 -15.588   4.445  -2.035
  386    H    SER  50           HN       SER  50 -14.384   0.975   6.011
  387    HA   SER  50           HA       SER  50 -12.231  -0.576   7.034
  388   1HB   SER  50           HB2      SER  50 -13.710  -1.080   8.863
  389   2HB   SER  50           HB1      SER  50 -14.043   0.569   8.366
  390    HG   SER  50           HG       SER  50 -15.537  -1.072   6.902
  391    H    ASN  51           HN       ASN  51 -14.458  -1.302   4.631
  392    HA   ASN  51           HA       ASN  51 -14.501  -4.216   5.161
  393   1HB   ASN  51           HB2      ASN  51 -16.499  -2.918   4.237
  394   2HB   ASN  51           HB1      ASN  51 -15.588  -2.758   2.736
  395   1HD2  ASN  51          HD22      ASN  51 -16.468  -5.988   1.649
  396   2HD2  ASN  51          HD21      ASN  51 -15.895  -4.438   1.257
  397    H    VAL  52           HN       VAL  52 -12.191  -2.252   4.181
  398    HA   VAL  52           HA       VAL  52 -11.079  -4.180   2.188
  399    HB   VAL  52           HB       VAL  52 -10.989  -1.155   2.130
  400   1HG1  VAL  52          HG11      VAL  52  -9.151  -3.191   0.908
  401   2HG1  VAL  52          HG13      VAL  52  -9.557  -1.760  -0.042
  402   3HG1  VAL  52          HG12      VAL  52  -8.783  -1.585   1.530
  403   1HG2  VAL  52          HG23      VAL  52 -11.972  -3.289   0.222
  404   2HG2  VAL  52          HG22      VAL  52 -12.934  -2.065   1.049
  405   3HG2  VAL  52          HG21      VAL  52 -11.809  -1.590  -0.222
  406    H    ILE  53           HN       ILE  53  -8.810  -4.582   2.465
  407    HA   ILE  53           HA       ILE  53  -7.774  -3.719   5.144
  408    HB   ILE  53           HB       ILE  53  -6.679  -5.848   3.294
  409   1HG1  ILE  53          HG12      ILE  53  -8.964  -6.476   3.784
  410   2HG1  ILE  53          HG11      ILE  53  -7.911  -7.444   4.813
  411   1HG2  ILE  53          HG22      ILE  53  -5.261  -4.900   5.189
  412   2HG2  ILE  53          HG21      ILE  53  -6.434  -5.609   6.296
  413   3HG2  ILE  53          HG23      ILE  53  -5.510  -6.644   5.209
  414   1HD1  ILE  53          HD13      ILE  53  -8.260  -5.573   6.577
  415   2HD1  ILE  53          HD12      ILE  53  -9.626  -5.086   5.576
  416   3HD1  ILE  53          HD11      ILE  53  -9.587  -6.699   6.290
  417    H    PHE  54           HN       PHE  54  -6.315  -2.055   5.156
  418    HA   PHE  54           HA       PHE  54  -4.742  -1.474   2.672
  419   1HB   PHE  54           HB2      PHE  54  -5.282   0.181   5.160
  420   2HB   PHE  54           HB1      PHE  54  -4.255   0.695   3.833
  421    HD1  PHE  54           HD1      PHE  54  -7.707  -0.576   4.512
  422    HD2  PHE  54           HD2      PHE  54  -5.207   1.891   2.043
  423    HE1  PHE  54           HE1      PHE  54  -9.706   0.291   3.342
  424    HE2  PHE  54           HE2      PHE  54  -7.214   2.744   0.858
  425    HZ   PHE  54           HZ       PHE  54  -9.463   1.936   1.503
  426    H    LEU  55           HN       LEU  55  -2.576  -1.983   2.669
  427    HA   LEU  55           HA       LEU  55  -1.245  -2.637   5.280
  428   1HB   LEU  55           HB2      LEU  55  -0.658  -3.587   2.455
  429   2HB   LEU  55           HB1      LEU  55   0.465  -3.828   3.789
  430    HG   LEU  55           HG       LEU  55  -0.977  -5.332   4.891
  431   1HD1  LEU  55          HD12      LEU  55  -3.186  -4.215   3.161
  432   2HD1  LEU  55          HD11      LEU  55  -3.357  -5.715   4.067
  433   3HD1  LEU  55          HD13      LEU  55  -3.055  -4.211   4.926
  434   1HD2  LEU  55          HD22      LEU  55  -0.010  -6.195   2.739
  435   2HD2  LEU  55          HD21      LEU  55  -1.474  -7.036   3.245
  436   3HD2  LEU  55          HD23      LEU  55  -1.548  -5.829   1.959
  437    H    GLU  56           HN       GLU  56   0.650  -1.588   5.812
  438    HA   GLU  56           HA       GLU  56   1.591   0.552   3.925
  439   1HB   GLU  56           HB2      GLU  56   0.696   1.280   6.207
  440   2HB   GLU  56           HB1      GLU  56   2.062   0.423   6.924
  441   1HG   GLU  56           HG2      GLU  56   3.589   1.800   5.457
  442   2HG   GLU  56           HG1      GLU  56   2.180   2.750   4.984
  443    H    VAL  57           HN       VAL  57   3.620   0.253   3.135
  444    HA   VAL  57           HA       VAL  57   5.383  -1.784   4.475
  445    HB   VAL  57           HB       VAL  57   5.081  -1.273   1.505
  446   1HG1  VAL  57          HG12      VAL  57   6.597  -3.372   3.079
  447   2HG1  VAL  57          HG11      VAL  57   6.411  -3.350   1.327
  448   3HG1  VAL  57          HG13      VAL  57   7.311  -2.066   2.127
  449   1HG2  VAL  57          HG21      VAL  57   4.018  -3.460   3.297
  450   2HG2  VAL  57          HG23      VAL  57   3.077  -2.316   2.353
  451   3HG2  VAL  57          HG22      VAL  57   4.032  -3.556   1.540
  452    H    ASP  58           HN       ASP  58   7.370  -1.045   4.949
  453    HA   ASP  58           HA       ASP  58   8.228   1.641   4.005
  454   1HB   ASP  58           HB2      ASP  58   8.327   0.886   6.437
  455   2HB   ASP  58           HB1      ASP  58   9.591  -0.245   5.934
  456    H    VAL  59           HN       VAL  59   9.509   1.680   2.179
  457    HA   VAL  59           HA       VAL  59  10.645  -0.760   1.111
  458    HB   VAL  59           HB       VAL  59  11.834   0.745  -0.456
  459   1HG1  VAL  59          HG11      VAL  59   8.954   1.470   0.120
  460   2HG1  VAL  59          HG13      VAL  59   9.798   1.868  -1.376
  461   3HG1  VAL  59          HG12      VAL  59   9.521   0.183  -0.940
  462   1HG2  VAL  59          HG21      VAL  59  10.781   2.894   1.398
  463   2HG2  VAL  59          HG23      VAL  59  12.461   2.576   0.966
  464   3HG2  VAL  59          HG22      VAL  59  11.348   3.226  -0.238
  465    H    ASP  60           HN       ASP  60  11.642   1.542   3.503
  466    HA   ASP  60           HA       ASP  60  14.490   0.742   3.316
  467   1HB   ASP  60           HB2      ASP  60  12.923   2.760   4.904
  468   2HB   ASP  60           HB1      ASP  60  14.563   2.347   5.366
  469    H    ASP  61           HN       ASP  61  11.796   0.365   5.679
  470    HA   ASP  61           HA       ASP  61  13.573  -1.419   7.296
  471   1HB   ASP  61           HB2      ASP  61  10.770  -0.385   7.854
  472   2HB   ASP  61           HB1      ASP  61  11.707  -1.409   8.935
  473    H    ALA  62           HN       ALA  62  11.232  -1.514   4.862
  474    HA   ALA  62           HA       ALA  62  10.858  -4.457   5.251
  475   1HB   ALA  62           HB2      ALA  62   8.812  -2.717   5.523
  476   2HB   ALA  62           HB1      ALA  62   8.765  -2.907   3.771
  477   3HB   ALA  62           HB3      ALA  62   8.590  -4.317   4.817
  478    H    GLN  63           HN       GLN  63  12.952  -3.221   3.866
  479    HA   GLN  63           HA       GLN  63  12.532  -2.798   1.098
  480   1HB   GLN  63           HB2      GLN  63  14.926  -3.080   0.867
  481   2HB   GLN  63           HB1      GLN  63  14.628  -2.282   2.412
  482   1HG   GLN  63           HG2      GLN  63  14.680  -4.581   3.489
  483   2HG   GLN  63           HG1      GLN  63  15.275  -5.202   1.949
  484   1HE2  GLN  63          HE22      GLN  63  18.437  -3.448   2.227
  485   2HE2  GLN  63          HE21      GLN  63  17.277  -3.888   1.070
  486    H    ASP  64           HN       ASP  64  12.666  -5.772   2.939
  487    HA   ASP  64           HA       ASP  64  13.295  -7.514   0.753
  488   1HB   ASP  64           HB2      ASP  64  12.177  -9.274   2.202
  489   2HB   ASP  64           HB1      ASP  64  13.478  -8.381   2.980
  490    H    VAL  65           HN       VAL  65  10.225  -6.232   2.001
  491    HA   VAL  65           HA       VAL  65   8.547  -7.775   0.240
  492    HB   VAL  65           HB       VAL  65   7.943  -5.042   1.391
  493   1HG1  VAL  65          HG12      VAL  65   6.328  -5.971  -0.237
  494   2HG1  VAL  65          HG11      VAL  65   6.169  -7.417   0.762
  495   3HG1  VAL  65          HG13      VAL  65   5.630  -5.856   1.379
  496   1HG2  VAL  65          HG21      VAL  65   8.119  -7.718   2.737
  497   2HG2  VAL  65          HG23      VAL  65   8.599  -6.136   3.338
  498   3HG2  VAL  65          HG22      VAL  65   6.895  -6.576   3.277
  499    H    ALA  66           HN       ALA  66   9.878  -4.480   0.097
  500    HA   ALA  66           HA       ALA  66   8.674  -3.846  -2.447
  501   1HB   ALA  66           HB3      ALA  66   9.635  -2.299  -0.529
  502   2HB   ALA  66           HB2      ALA  66  11.130  -2.434  -1.452
  503   3HB   ALA  66           HB1      ALA  66   9.681  -1.769  -2.208
  504    H    SER  67           HN       SER  67  11.840  -5.103  -1.481
  505    HA   SER  67           HA       SER  67  13.159  -4.788  -3.979
  506   1HB   SER  67           HB2      SER  67  14.690  -6.529  -3.187
  507   2HB   SER  67           HB1      SER  67  14.293  -5.438  -1.862
  508    HG   SER  67           HG       SER  67  13.803  -8.093  -2.144
  509    H    GLU  68           HN       GLU  68  11.003  -7.322  -2.784
  510    HA   GLU  68           HA       GLU  68  11.369  -9.167  -4.941
  511   1HB   GLU  68           HB2      GLU  68  10.202  -9.644  -2.755
  512   2HB   GLU  68           HB1      GLU  68   8.829  -8.712  -3.350
  513   1HG   GLU  68           HG2      GLU  68   9.980 -11.069  -4.867
  514   2HG   GLU  68           HG1      GLU  68   8.685 -11.243  -3.685
  515    H    ALA  69           HN       ALA  69   9.245  -6.355  -4.541
  516    HA   ALA  69           HA       ALA  69   7.916  -6.878  -7.107
  517   1HB   ALA  69           HB1      ALA  69   7.706  -4.685  -5.050
  518   2HB   ALA  69           HB3      ALA  69   6.877  -4.587  -6.605
  519   3HB   ALA  69           HB2      ALA  69   6.504  -5.899  -5.488
  520    H    GLU  70           HN       GLU  70  10.914  -5.646  -6.394
  521    HA   GLU  70           HA       GLU  70  12.399  -4.278  -7.597
  522   1HB   GLU  70           HB2      GLU  70  10.473  -5.062  -9.806
  523   2HB   GLU  70           HB1      GLU  70  11.959  -4.165 -10.088
  524   1HG   GLU  70           HG2      GLU  70  12.474  -6.461 -10.470
  525   2HG   GLU  70           HG1      GLU  70  13.191  -6.044  -8.915
  526    H    VAL  71           HN       VAL  71  10.653  -2.751  -6.104
  527    HA   VAL  71           HA       VAL  71   9.145  -0.874  -7.692
  528    HB   VAL  71           HB       VAL  71  10.368  -0.398  -4.950
  529   1HG1  VAL  71          HG11      VAL  71   8.056   0.823  -6.492
  530   2HG1  VAL  71          HG13      VAL  71   8.312   1.084  -4.768
  531   3HG1  VAL  71          HG12      VAL  71   9.518   1.636  -5.934
  532   1HG2  VAL  71          HG23      VAL  71   7.817  -1.796  -5.818
  533   2HG2  VAL  71          HG22      VAL  71   9.083  -2.416  -4.761
  534   3HG2  VAL  71          HG21      VAL  71   8.017  -1.129  -4.198
  535    H    LYS  72           HN       LYS  72   9.830   0.945  -8.739
  536    HA   LYS  72           HA       LYS  72  12.744   1.566  -8.663
  537   1HB   LYS  72           HB2      LYS  72  10.645   2.225 -10.737
  538   2HB   LYS  72           HB1      LYS  72  12.352   2.635 -10.857
  539   1HG   LYS  72           HG2      LYS  72  11.454  -0.232 -10.464
  540   2HG   LYS  72           HG1      LYS  72  11.538   0.487 -12.070
  541   1HD   LYS  72           HD2      LYS  72  13.947   1.121 -11.538
  542   2HD   LYS  72           HD1      LYS  72  13.808   0.104 -10.104
  543   1HE   LYS  72           HE2      LYS  72  14.771  -1.204 -11.916
  544   2HE   LYS  72           HE1      LYS  72  13.146  -1.802 -11.574
  545   1HZ   LYS  72           HZ3      LYS  72  13.038   0.301 -13.456
  546   2HZ   LYS  72           HZ2      LYS  72  14.129  -0.885 -13.992
  547   3HZ   LYS  72           HZ1      LYS  72  12.523  -1.306 -13.626
  548    H    ALA  73           HN       ALA  73   9.711   2.820  -7.666
  549    HA   ALA  73           HA       ALA  73  11.005   5.288  -6.781
  550   1HB   ALA  73           HB3      ALA  73   9.372   5.207  -9.239
  551   2HB   ALA  73           HB2      ALA  73   8.899   6.479  -8.115
  552   3HB   ALA  73           HB1      ALA  73  10.551   6.412  -8.727
  553    H    THR  74           HN       THR  74   9.709   6.488  -5.286
  554    HA   THR  74           HA       THR  74   7.207   5.120  -4.355
  555    HB   THR  74           HB       THR  74   7.909   5.538  -2.057
  556    HG1  THR  74           HG1      THR  74  10.342   6.600  -2.724
  557   1HG2  THR  74          HG23      THR  74   9.018   3.642  -3.368
  558   2HG2  THR  74          HG22      THR  74  10.441   4.682  -3.432
  559   3HG2  THR  74          HG21      THR  74   9.803   4.154  -1.876
  560    HA   PRO  75           HA       PRO  75   5.782   5.766  -2.562
  561   1HB   PRO  75           HB2      PRO  75   3.184   6.689  -2.628
  562   2HB   PRO  75           HB1      PRO  75   4.397   7.217  -1.453
  563   1HG   PRO  75           HG2      PRO  75   3.327   8.666  -3.819
  564   2HG   PRO  75           HG1      PRO  75   3.981   9.311  -2.306
  565   1HD   PRO  75           HD2      PRO  75   5.347   9.193  -4.794
  566   2HD   PRO  75           HD1      PRO  75   6.099   9.512  -3.205
  567    H    THR  76           HN       THR  76   4.775   3.880  -3.228
  568    HA   THR  76           HA       THR  76   3.448   3.873  -5.912
  569    HB   THR  76           HB       THR  76   5.360   1.760  -4.886
  570    HG1  THR  76           HG1      THR  76   6.685   2.512  -6.520
  571   1HG2  THR  76          HG21      THR  76   3.646   2.001  -7.361
  572   2HG2  THR  76          HG23      THR  76   5.065   0.957  -7.310
  573   3HG2  THR  76          HG22      THR  76   3.716   0.666  -6.211
  574    H    PHE  77           HN       PHE  77   1.541   2.876  -5.901
  575    HA   PHE  77           HA       PHE  77   0.712   1.406  -3.431
  576   1HB   PHE  77           HB2      PHE  77  -0.959   2.826  -5.535
  577   2HB   PHE  77           HB1      PHE  77  -1.579   2.052  -4.073
  578    HD1  PHE  77           HD1      PHE  77  -1.063   2.992  -1.829
  579    HD2  PHE  77           HD2      PHE  77   0.207   4.931  -5.448
  580    HE1  PHE  77           HE1      PHE  77  -0.571   5.059  -0.551
  581    HE2  PHE  77           HE2      PHE  77   0.696   7.001  -4.173
  582    HZ   PHE  77           HZ       PHE  77   0.310   7.068  -1.719
  583    H    GLN  78           HN       GLN  78   0.210  -0.732  -3.654
  584    HA   GLN  78           HA       GLN  78  -0.267  -1.794  -6.425
  585   1HB   GLN  78           HB2      GLN  78   1.270  -3.047  -4.145
  586   2HB   GLN  78           HB1      GLN  78   0.764  -3.932  -5.582
  587   1HG   GLN  78           HG2      GLN  78   1.967  -2.185  -6.966
  588   2HG   GLN  78           HG1      GLN  78   2.636  -1.550  -5.464
  589   1HE2  GLN  78          HE22      GLN  78   5.262  -3.850  -6.390
  590   2HE2  GLN  78          HE21      GLN  78   4.756  -2.248  -6.615
  591    H    PHE  79           HN       PHE  79  -1.966  -3.109  -6.663
  592    HA   PHE  79           HA       PHE  79  -3.721  -3.483  -4.256
  593   1HB   PHE  79           HB2      PHE  79  -4.339  -3.431  -7.218
  594   2HB   PHE  79           HB1      PHE  79  -5.526  -3.743  -5.951
  595    HD1  PHE  79           HD2      PHE  79  -3.066  -1.257  -7.212
  596    HD2  PHE  79           HD1      PHE  79  -6.435  -1.969  -4.656
  597    HE1  PHE  79           HE2      PHE  79  -3.252   1.175  -6.794
  598    HE2  PHE  79           HE1      PHE  79  -6.629   0.469  -4.233
  599    HZ   PHE  79           HZ       PHE  79  -5.037   2.039  -5.300
  600    H    PHE  80           HN       PHE  80  -4.158  -5.465  -3.559
  601    HA   PHE  80           HA       PHE  80  -3.503  -7.800  -5.290
  602   1HB   PHE  80           HB2      PHE  80  -2.936  -7.386  -2.358
  603   2HB   PHE  80           HB1      PHE  80  -2.929  -8.981  -3.102
  604    HD1  PHE  80           HD2      PHE  80  -1.226  -5.700  -2.926
  605    HD2  PHE  80           HD1      PHE  80  -1.216  -9.623  -4.693
  606    HE1  PHE  80           HE2      PHE  80   1.107  -5.355  -3.682
  607    HE2  PHE  80           HE1      PHE  80   1.121  -9.275  -5.446
  608    HZ   PHE  80           HZ       PHE  80   2.283  -7.143  -4.940
  609    H    LYS  81           HN       LYS  81  -4.921  -9.569  -5.115
  610    HA   LYS  81           HA       LYS  81  -7.210  -9.345  -3.240
  611   1HB   LYS  81           HB2      LYS  81  -7.710  -8.187  -5.540
  612   2HB   LYS  81           HB1      LYS  81  -7.763  -9.830  -6.177
  613   1HG   LYS  81           HG2      LYS  81  -9.444 -10.405  -4.412
  614   2HG   LYS  81           HG1      LYS  81  -9.454  -8.710  -3.928
  615   1HD   LYS  81           HD2      LYS  81 -10.022  -8.168  -6.370
  616   2HD   LYS  81           HD1      LYS  81 -10.350  -9.890  -6.564
  617   1HE   LYS  81           HE2      LYS  81 -11.655  -8.108  -4.485
  618   2HE   LYS  81           HE1      LYS  81 -12.407  -8.597  -6.006
  619   1HZ   LYS  81           HZ2      LYS  81 -11.524 -10.935  -4.925
  620   2HZ   LYS  81           HZ1      LYS  81 -12.091 -10.075  -3.575
  621   3HZ   LYS  81           HZ3      LYS  81 -13.125 -10.363  -4.885
  622    H    LYS  82           HN       LYS  82  -7.498 -11.365  -2.414
  623    HA   LYS  82           HA       LYS  82  -7.313 -13.689  -2.167
  624   1HB   LYS  82           HB2      LYS  82  -7.437 -13.667  -5.212
  625   2HB   LYS  82           HB1      LYS  82  -7.595 -15.089  -4.195
  626   1HG   LYS  82           HG2      LYS  82  -9.545 -13.861  -3.058
  627   2HG   LYS  82           HG1      LYS  82  -9.491 -12.746  -4.423
  628   1HD   LYS  82           HD2      LYS  82  -9.617 -14.815  -5.929
  629   2HD   LYS  82           HD1      LYS  82 -10.030 -15.723  -4.474
  630   1HE   LYS  82           HE2      LYS  82 -11.945 -14.177  -4.090
  631   2HE   LYS  82           HE1      LYS  82 -11.551 -13.355  -5.598
  632   1HZ   LYS  82           HZ1      LYS  82 -11.677 -16.123  -6.064
  633   2HZ   LYS  82           HZ3      LYS  82 -13.093 -15.649  -5.260
  634   3HZ   LYS  82           HZ2      LYS  82 -12.650 -14.893  -6.716
  635    H    GLY  83           HN       GLY  83  -4.970 -11.898  -2.479
  636   1HA   GLY  83           HA2      GLY  83  -2.651 -12.242  -2.350
  637   2HA   GLY  83           HA1      GLY  83  -2.920 -13.949  -2.693
  638    H    GLN  84           HN       GLN  84  -4.412 -11.776  -4.906
  639    HA   GLN  84           HA       GLN  84  -2.250 -12.318  -6.913
  640   1HB   GLN  84           HB2      GLN  84  -5.204 -11.857  -7.420
  641   2HB   GLN  84           HB1      GLN  84  -3.988 -12.221  -8.638
  642   1HG   GLN  84           HG2      GLN  84  -4.760 -14.061  -6.353
  643   2HG   GLN  84           HG1      GLN  84  -5.304 -14.230  -8.021
  644   1HE2  GLN  84          HE22      GLN  84  -1.412 -15.126  -7.093
  645   2HE2  GLN  84          HE21      GLN  84  -2.321 -14.137  -6.056
  646    H    LYS  85           HN       LYS  85  -1.317 -10.564  -7.911
  647    HA   LYS  85           HA       LYS  85  -2.110  -7.862  -7.086
  648   1HB   LYS  85           HB2      LYS  85   0.274  -8.509  -7.530
  649   2HB   LYS  85           HB1      LYS  85  -0.143  -8.722  -9.230
  650   1HG   LYS  85           HG2      LYS  85  -0.886  -6.340  -9.320
  651   2HG   LYS  85           HG1      LYS  85  -0.390  -6.146  -7.642
  652   1HD   LYS  85           HD2      LYS  85   1.513  -5.367  -8.750
  653   2HD   LYS  85           HD1      LYS  85   1.933  -7.063  -8.522
  654   1HE   LYS  85           HE2      LYS  85   2.420  -6.439 -10.820
  655   2HE   LYS  85           HE1      LYS  85   1.040  -7.534 -10.824
  656   1HZ   LYS  85           HZ2      LYS  85   0.600  -4.629 -10.682
  657   2HZ   LYS  85           HZ1      LYS  85   0.954  -5.348 -12.179
  658   3HZ   LYS  85           HZ3      LYS  85  -0.416  -5.839 -11.309
  659    H    VAL  86           HN       VAL  86  -3.667  -6.710  -8.103
  660    HA   VAL  86           HA       VAL  86  -4.361  -7.430 -10.934
  661    HB   VAL  86           HB       VAL  86  -6.692  -6.810 -10.347
  662   1HG1  VAL  86          HG11      VAL  86  -5.706  -9.179 -10.135
  663   2HG1  VAL  86          HG13      VAL  86  -5.663  -8.881  -8.396
  664   3HG1  VAL  86          HG12      VAL  86  -7.203  -8.864  -9.254
  665   1HG2  VAL  86          HG21      VAL  86  -6.147  -5.286  -8.473
  666   2HG2  VAL  86          HG23      VAL  86  -7.270  -6.544  -7.956
  667   3HG2  VAL  86          HG22      VAL  86  -5.563  -6.658  -7.531
  668    H    GLY  87           HN       GLY  87  -2.751  -5.153  -9.352
  669   1HA   GLY  87           HA2      GLY  87  -3.121  -3.157 -11.339
  670   2HA   GLY  87           HA1      GLY  87  -4.134  -2.725  -9.966
  671    H    GLU  88           HN       GLU  88  -1.893  -1.236 -10.940
  672    HA   GLU  88           HA       GLU  88  -0.526  -0.748  -8.445
  673   1HB   GLU  88           HB2      GLU  88   0.862  -2.617  -9.029
  674   2HB   GLU  88           HB1      GLU  88   1.021  -2.061 -10.691
  675   1HG   GLU  88           HG2      GLU  88   1.956  -0.333  -8.398
  676   2HG   GLU  88           HG1      GLU  88   2.982  -1.628  -9.009
  677    H    PHE  89           HN       PHE  89   0.540   1.251  -8.474
  678    HA   PHE  89           HA       PHE  89   1.054   2.648 -10.952
  679   1HB   PHE  89           HB2      PHE  89  -0.639   4.284 -10.952
  680   2HB   PHE  89           HB1      PHE  89  -1.492   2.775 -10.673
  681    HD1  PHE  89           HD1      PHE  89  -0.047   5.743  -8.950
  682    HD2  PHE  89           HD2      PHE  89  -2.816   2.476  -8.713
  683    HE1  PHE  89           HE1      PHE  89  -1.023   6.727  -6.891
  684    HE2  PHE  89           HE2      PHE  89  -3.792   3.452  -6.659
  685    HZ   PHE  89           HZ       PHE  89  -2.914   5.596  -5.757
  686    H    SER  90           HN       SER  90   1.969   4.792 -10.561
  687    HA   SER  90           HA       SER  90   2.935   5.174  -7.747
  688   1HB   SER  90           HB2      SER  90   5.080   5.933  -8.674
  689   2HB   SER  90           HB1      SER  90   4.750   4.267  -9.147
  690    HG   SER  90           HG       SER  90   3.648   5.948 -10.919
  691    H    GLY  91           HN       GLY  91   3.607   7.377  -7.279
  692   1HA   GLY  91           HA2      GLY  91   3.666   9.731  -8.191
  693   2HA   GLY  91           HA1      GLY  91   2.085   9.401  -8.895
  694    H    ALA  92           HN       ALA  92   3.041  11.343  -6.755
  695    HA   ALA  92           HA       ALA  92   1.752  10.442  -4.305
  696   1HB   ALA  92           HB3      ALA  92   3.061  12.943  -5.299
  697   2HB   ALA  92           HB2      ALA  92   1.997  13.090  -3.907
  698   3HB   ALA  92           HB1      ALA  92   3.399  12.019  -3.841
  699    H    ASN  93           HN       ASN  93  -0.267   9.894  -5.792
  700    HA   ASN  93           HA       ASN  93  -2.132  12.254  -5.727
  701   1HB   ASN  93           HB2      ASN  93  -1.645  11.356  -8.042
  702   2HB   ASN  93           HB1      ASN  93  -2.384   9.837  -7.532
  703   1HD2  ASN  93          HD22      ASN  93  -4.807  12.687  -8.825
  704   2HD2  ASN  93          HD21      ASN  93  -3.160  12.550  -9.210
  705    H    LYS  94           HN       LYS  94  -2.791  11.770  -3.583
  706    HA   LYS  94           HA       LYS  94  -3.536   9.157  -2.714
  707   1HB   LYS  94           HB2      LYS  94  -4.408  10.202  -0.774
  708   2HB   LYS  94           HB1      LYS  94  -2.964  11.084  -1.230
  709   1HG   LYS  94           HG2      LYS  94  -5.774  11.969  -1.970
  710   2HG   LYS  94           HG1      LYS  94  -4.916  12.509  -0.550
  711   1HD   LYS  94           HD2      LYS  94  -3.037  13.248  -2.092
  712   2HD   LYS  94           HD1      LYS  94  -4.175  12.991  -3.415
  713   1HE   LYS  94           HE2      LYS  94  -4.507  15.256  -2.914
  714   2HE   LYS  94           HE1      LYS  94  -5.792  14.474  -1.991
  715   1HZ   LYS  94           HZ2      LYS  94  -3.218  14.771  -0.665
  716   2HZ   LYS  94           HZ1      LYS  94  -4.102  16.197  -0.926
  717   3HZ   LYS  94           HZ3      LYS  94  -4.789  14.926  -0.039
  718    H    GLU  95           HN       GLU  95  -5.445  11.688  -4.294
  719    HA   GLU  95           HA       GLU  95  -8.014  10.553  -3.820
  720   1HB   GLU  95           HB2      GLU  95  -7.034  12.134  -6.218
  721   2HB   GLU  95           HB1      GLU  95  -8.720  11.874  -5.778
  722   1HG   GLU  95           HG2      GLU  95  -6.725  13.163  -3.907
  723   2HG   GLU  95           HG1      GLU  95  -7.731  14.091  -5.021
  724    H    LYS  96           HN       LYS  96  -5.510   9.781  -6.125
  725    HA   LYS  96           HA       LYS  96  -7.005   8.246  -7.999
  726   1HB   LYS  96           HB2      LYS  96  -4.599   9.030  -8.147
  727   2HB   LYS  96           HB1      LYS  96  -4.176   7.695  -7.093
  728   1HG   LYS  96           HG2      LYS  96  -4.893   6.072  -8.692
  729   2HG   LYS  96           HG1      LYS  96  -5.671   7.307  -9.689
  730   1HD   LYS  96           HD2      LYS  96  -3.487   8.340 -10.149
  731   2HD   LYS  96           HD1      LYS  96  -2.692   7.140  -9.131
  732   1HE   LYS  96           HE2      LYS  96  -4.315   6.491 -11.616
  733   2HE   LYS  96           HE1      LYS  96  -2.553   6.554 -11.553
  734   1HZ   LYS  96           HZ3      LYS  96  -3.334   4.953  -9.449
  735   2HZ   LYS  96           HZ2      LYS  96  -4.295   4.464 -10.762
  736   3HZ   LYS  96           HZ1      LYS  96  -2.601   4.455 -10.895
  737    H    LEU  97           HN       LEU  97  -5.661   7.469  -4.854
  738    HA   LEU  97           HA       LEU  97  -5.893   4.630  -4.934
  739   1HB   LEU  97           HB2      LEU  97  -6.257   6.625  -2.690
  740   2HB   LEU  97           HB1      LEU  97  -6.232   4.890  -2.430
  741    HG   LEU  97           HG       LEU  97  -3.973   6.319  -3.833
  742   1HD1  LEU  97          HD11      LEU  97  -4.352   7.314  -1.572
  743   2HD1  LEU  97          HD13      LEU  97  -4.161   5.711  -0.868
  744   3HD1  LEU  97          HD12      LEU  97  -2.809   6.478  -1.701
  745   1HD2  LEU  97          HD23      LEU  97  -4.553   3.573  -3.361
  746   2HD2  LEU  97          HD22      LEU  97  -3.037   4.246  -3.928
  747   3HD2  LEU  97          HD21      LEU  97  -3.282   3.982  -2.210
  748    H    GLU  98           HN       GLU  98  -8.164   7.208  -4.176
  749    HA   GLU  98           HA       GLU  98 -10.335   5.582  -3.277
  750   1HB   GLU  98           HB2      GLU  98 -10.216   8.074  -3.043
  751   2HB   GLU  98           HB1      GLU  98 -10.507   8.209  -4.776
  752   1HG   GLU  98           HG2      GLU  98 -12.618   8.492  -3.564
  753   2HG   GLU  98           HG1      GLU  98 -12.665   6.993  -4.491
  754    H    ALA  99           HN       ALA  99  -9.478   6.689  -6.558
  755    HA   ALA  99           HA       ALA  99 -11.855   5.612  -7.748
  756   1HB   ALA  99           HB3      ALA  99  -9.174   6.351  -8.921
  757   2HB   ALA  99           HB2      ALA  99 -10.544   5.837  -9.907
  758   3HB   ALA  99           HB1      ALA  99 -10.654   7.305  -8.934
  759    H    THR 100           HN       THR 100  -8.555   4.230  -7.427
  760    HA   THR 100           HA       THR 100  -9.207   1.890  -8.958
  761    HB   THR 100           HB       THR 100  -7.104   2.084  -6.788
  762    HG1  THR 100           HG1      THR 100  -5.854   2.485  -8.856
  763   1HG2  THR 100          HG23      THR 100  -7.572   0.263  -9.160
  764   2HG2  THR 100          HG22      THR 100  -5.985   0.432  -8.409
  765   3HG2  THR 100          HG21      THR 100  -7.358  -0.169  -7.474
  766    H    ILE 101           HN       ILE 101  -9.500   2.647  -5.522
  767    HA   ILE 101           HA       ILE 101 -10.107  -0.006  -4.621
  768    HB   ILE 101           HB       ILE 101 -10.850   2.743  -3.556
  769   1HG1  ILE 101          HG12      ILE 101  -8.974   0.669  -2.378
  770   2HG1  ILE 101          HG11      ILE 101  -8.418   1.823  -3.588
  771   1HG2  ILE 101          HG21      ILE 101 -11.510  -0.019  -2.524
  772   2HG2  ILE 101          HG23      ILE 101 -11.325   1.340  -1.418
  773   3HG2  ILE 101          HG22      ILE 101 -12.567   1.388  -2.669
  774   1HD1  ILE 101          HD11      ILE 101  -9.161   3.678  -2.141
  775   2HD1  ILE 101          HD13      ILE 101  -9.687   2.509  -0.930
  776   3HD1  ILE 101          HD12      ILE 101  -7.977   2.658  -1.328
  777    H    ASN 102           HN       ASN 102 -12.185   2.735  -5.557
  778    HA   ASN 102           HA       ASN 102 -14.659   1.344  -5.319
  779   1HB   ASN 102           HB2      ASN 102 -14.354   3.843  -5.648
  780   2HB   ASN 102           HB1      ASN 102 -14.030   3.508  -7.350
  781   1HD2  ASN 102          HD22      ASN 102 -17.521   3.890  -7.793
  782   2HD2  ASN 102          HD21      ASN 102 -15.991   4.567  -8.078
  783    H    GLU 103           HN       GLU 103 -12.262   1.529  -7.847
  784    HA   GLU 103           HA       GLU 103 -13.800   0.271  -9.902
  785   1HB   GLU 103           HB2      GLU 103 -11.653   1.609 -10.166
  786   2HB   GLU 103           HB1      GLU 103 -10.793   0.190  -9.585
  787   1HG   GLU 103           HG2      GLU 103 -12.679   0.082 -11.955
  788   2HG   GLU 103           HG1      GLU 103 -10.952   0.396 -12.120
  789    H    LEU 104           HN       LEU 104 -11.579  -1.020  -7.444
  790    HA   LEU 104           HA       LEU 104 -12.132  -3.790  -8.387
  791   1HB   LEU 104           HB2      LEU 104 -10.159  -2.706  -6.371
  792   2HB   LEU 104           HB1      LEU 104 -10.328  -4.414  -6.758
  793    HG   LEU 104           HG       LEU 104  -9.667  -2.250  -8.773
  794   1HD1  LEU 104          HD11      LEU 104  -7.878  -4.217  -7.321
  795   2HD1  LEU 104          HD13      LEU 104  -7.360  -3.199  -8.667
  796   3HD1  LEU 104          HD12      LEU 104  -7.861  -2.462  -7.147
  797   1HD2  LEU 104          HD21      LEU 104  -9.923  -5.260  -8.889
  798   2HD2  LEU 104          HD23      LEU 104 -10.545  -4.056 -10.019
  799   3HD2  LEU 104          HD22      LEU 104  -8.827  -4.431  -9.992
  800    H    VAL 105           HN       VAL 105 -13.508  -1.672  -6.153
  801    HA   VAL 105           HA       VAL 105 -13.822  -3.434  -3.904
  802    HB   VAL 105           HB       VAL 105 -14.334  -0.928  -3.950
  803   1HG1  VAL 105          HG11      VAL 105 -15.886  -1.295  -6.033
  804   2HG1  VAL 105          HG13      VAL 105 -17.101  -1.742  -4.841
  805   3HG1  VAL 105          HG12      VAL 105 -16.376  -0.135  -4.802
  806   1HG2  VAL 105          HG21      VAL 105 -16.367  -2.869  -2.809
  807   2HG2  VAL 105          HG23      VAL 105 -14.895  -2.309  -2.015
  808   3HG2  VAL 105          HG22      VAL 105 -16.218  -1.182  -2.320
  809    HA   PRO  59           HA       PRO 106  14.181  16.094 -14.354
  810   1HB   PRO  59           HB2      PRO 106  16.776  15.876 -12.859
  811   2HB   PRO  59           HB1      PRO 106  16.367  15.318 -14.495
  812   1HG   PRO  59           HG2      PRO 106  17.815  17.532 -14.091
  813   2HG   PRO  59           HG1      PRO 106  16.655  17.406 -15.426
  814   1HD   PRO  59           HD2      PRO 106  16.441  18.978 -12.900
  815   2HD   PRO  59           HD1      PRO 106  15.686  19.274 -14.481
  816    H    ALA  60           HN       ALA 107  14.912  17.005 -11.005
  817    HA   ALA  60           HA       ALA 107  14.013  14.345 -10.023
  818   1HB   ALA  60           HB1      ALA 107  15.983  15.451  -8.953
  819   2HB   ALA  60           HB3      ALA 107  14.931  16.776  -8.449
  820   3HB   ALA  60           HB2      ALA 107  14.673  15.151  -7.813
  821    H    THR  61           HN       THR 108  11.899  14.038  -9.519
  822    HA   THR  61           HA       THR 108  10.132  16.434  -9.278
  823    HB   THR  61           HB       THR 108   9.362  13.512  -9.547
  824    HG1  THR  61           HG1      THR 108   9.241  13.911 -11.716
  825   1HG2  THR  61          HG23      THR 108   7.661  15.141  -8.645
  826   2HG2  THR  61          HG22      THR 108   7.800  16.032 -10.159
  827   3HG2  THR  61          HG21      THR 108   7.196  14.375 -10.160
  828    H    LEU  62           HN       LEU 109   9.299  16.996  -7.326
  829    HA   LEU  62           HA       LEU 109  10.085  15.642  -4.908
  830   1HB   LEU  62           HB2      LEU 109   8.031  17.796  -5.458
  831   2HB   LEU  62           HB1      LEU 109   8.403  17.219  -3.837
  832    HG   LEU  62           HG       LEU 109  10.487  18.325  -5.746
  833   1HD1  LEU  62          HD11      LEU 109   8.863  19.681  -3.579
  834   2HD1  LEU  62          HD13      LEU 109  10.366  20.352  -4.211
  835   3HD1  LEU  62          HD12      LEU 109   8.980  20.133  -5.280
  836   1HD2  LEU  62          HD21      LEU 109  10.494  17.374  -2.885
  837   2HD2  LEU  62          HD23      LEU 109  11.695  17.121  -4.149
  838   3HD2  LEU  62          HD22      LEU 109  11.583  18.681  -3.342
  839    H    LYS  63           HN       LYS 110   7.249  15.507  -6.946
  840    HA   LYS  63           HA       LYS 110   5.428  14.241  -5.161
  841   1HB   LYS  63           HB2      LYS 110   5.703  13.885  -8.163
  842   2HB   LYS  63           HB1      LYS 110   4.277  13.485  -7.210
  843   1HG   LYS  63           HG2      LYS 110   5.464  16.246  -7.618
  844   2HG   LYS  63           HG1      LYS 110   3.943  15.648  -8.275
  845   1HD   LYS  63           HD2      LYS 110   3.311  15.237  -5.761
  846   2HD   LYS  63           HD1      LYS 110   4.621  16.370  -5.429
  847   1HE   LYS  63           HE2      LYS 110   3.558  18.055  -6.862
  848   2HE   LYS  63           HE1      LYS 110   2.252  16.930  -7.234
  849   1HZ   LYS  63           HZ3      LYS 110   2.118  16.829  -4.633
  850   2HZ   LYS  63           HZ2      LYS 110   2.820  18.372  -4.751
  851   3HZ   LYS  63           HZ1      LYS 110   1.331  18.051  -5.504
  852    H    ILE  64           HN       ILE 111   8.281  13.089  -6.629
  853    HA   ILE  64           HA       ILE 111   7.657  10.272  -5.775
  854    HB   ILE  64           HB       ILE 111   9.215  11.233  -8.199
  855   1HG1  ILE  64          HG12      ILE 111   6.802  11.234  -8.578
  856   2HG1  ILE  64          HG11      ILE 111   7.540   9.909  -9.468
  857   1HG2  ILE  64          HG22      ILE 111   8.969   8.505  -6.936
  858   2HG2  ILE  64          HG21      ILE 111   9.373   8.708  -8.641
  859   3HG2  ILE  64          HG23      ILE 111  10.431   9.377  -7.400
  860   1HD1  ILE  64          HD13      ILE 111   6.959   8.571  -7.210
  861   2HD1  ILE  64          HD12      ILE 111   5.730   9.826  -7.093
  862   3HD1  ILE  64          HD11      ILE 111   5.778   8.770  -8.503
  863    H    CYS  65           HN       CYS 112   9.349   9.293  -4.571
  864    HA   CYS  65           HA       CYS 112  11.705  11.022  -3.958
  865   1HB   CYS  65           HB2      CYS 112  11.106   8.415  -2.552
  866   2HB   CYS  65           HB1      CYS 112  11.993   9.810  -1.952
  867    H    SER  66           HN       SER 113  13.719  10.415  -4.780
  868    HA   SER  66           HA       SER 113  13.786   8.137  -6.626
  869   1HB   SER  66           HB2      SER 113  15.983  10.046  -5.785
  870   2HB   SER  66           HB1      SER 113  16.093   8.879  -7.100
  871    HG   SER  66           HG       SER 113  14.224   9.953  -8.003
  872    H    TRP  67           HN       TRP 114  14.858   6.197  -6.354
  873    HA   TRP  67           HA       TRP 114  15.486   5.358  -3.641
  874   1HB   TRP  67           HB2      TRP 114  15.778   3.985  -6.328
  875   2HB   TRP  67           HB1      TRP 114  16.200   3.215  -4.798
  876    HD1  TRP  67           HD1      TRP 114  13.169   5.241  -6.084
  877    HE1  TRP  67           HE1      TRP 114  11.019   4.057  -5.285
  878    HE3  TRP  67           HE3      TRP 114  15.200   1.313  -3.566
  879    HZ2  TRP  67           HZ2      TRP 114  10.288   1.752  -3.748
  880    HZ3  TRP  67           HZ3      TRP 114  13.774  -0.355  -2.444
  881    HH2  TRP  67           HH2      TRP 114  11.310  -0.144  -2.542
  882    H    ASN  68           HN       ASN 115  17.240   7.003  -6.026
  883    HA   ASN  68           HA       ASN 115  19.846   5.955  -5.843
  884   1HB   ASN  68           HB2      ASN 115  18.914   8.839  -6.027
  885   2HB   ASN  68           HB1      ASN 115  20.609   8.358  -6.164
  886   1HD2  ASN  68          HD22      ASN 115  18.658   6.304  -9.022
  887   2HD2  ASN  68          HD21      ASN 115  18.517   5.934  -7.371
  888    H    VAL  69           HN       VAL 116  17.885   7.197  -3.356
  889    HA   VAL  69           HA       VAL 116  19.862   8.360  -1.637
  890    HB   VAL  69           HB       VAL 116  18.226   7.779   0.192
  891   1HG1  VAL  69          HG13      VAL 116  18.091   9.855  -1.215
  892   2HG1  VAL  69          HG12      VAL 116  16.973   9.005  -2.281
  893   3HG1  VAL  69          HG11      VAL 116  16.527   9.321  -0.604
  894   1HG2  VAL  69          HG21      VAL 116  17.427   5.664  -0.989
  895   2HG2  VAL  69          HG23      VAL 116  16.144   6.701  -0.375
  896   3HG2  VAL  69          HG22      VAL 116  16.538   6.712  -2.090
  897    H    ASP  70           HN       ASP 117  21.184   7.400  -0.055
  898    HA   ASP  70           HA       ASP 117  22.163   4.780  -0.569
  899   1HB   ASP  70           HB2      ASP 117  22.359   6.515   1.909
  900   2HB   ASP  70           HB1      ASP 117  23.225   4.990   1.716
  901    H    GLY  71           HN       GLY 118  19.728   5.962   1.714
  902   1HA   GLY  71           HA2      GLY 118  17.969   4.730   2.701
  903   2HA   GLY  71           HA1      GLY 118  18.582   3.280   1.903
   
  No H/Q in entry =         903
  Start of MODEL   19
    1   1H    MET   1           HT2      MET   1  -8.005  -3.115   8.731
    2   2H    MET   1           HT1      MET   1  -9.419  -2.656   9.554
    3   3H    MET   1           HT3      MET   1  -9.044  -1.951   8.061
    4    HA   MET   1           HA       MET   1  -8.433  -0.317   9.570
    5   1HB   MET   1           HB2      MET   1  -7.158  -2.559  11.178
    6   2HB   MET   1           HB1      MET   1  -7.104  -0.849  11.600
    7   1HG   MET   1           HG2      MET   1  -9.639  -2.490  11.323
    8   2HG   MET   1           HG1      MET   1  -8.879  -2.054  12.848
    9   1HE   MET   1           HE2      MET   1 -10.885  -0.963   9.778
   10   2HE   MET   1           HE1      MET   1 -11.855  -1.390  11.187
   11   3HE   MET   1           HE3      MET   1 -11.897   0.259  10.544
   12    H    VAL   2           HN       VAL   2  -5.732  -0.269  10.586
   13    HA   VAL   2           HA       VAL   2  -4.250  -0.374   7.990
   14    HB   VAL   2           HB       VAL   2  -3.677   1.020  10.623
   15   1HG1  VAL   2          HG12      VAL   2  -2.109   0.849   8.040
   16   2HG1  VAL   2          HG11      VAL   2  -1.875   2.149   9.208
   17   3HG1  VAL   2          HG13      VAL   2  -1.549   0.481   9.671
   18   1HG2  VAL   2          HG23      VAL   2  -5.524   1.921   9.173
   19   2HG2  VAL   2          HG22      VAL   2  -4.177   3.039   9.376
   20   3HG2  VAL   2          HG21      VAL   2  -4.341   2.125   7.879
   21    H    LYS   3           HN       LYS   3  -2.490  -1.765   7.743
   22    HA   LYS   3           HA       LYS   3  -1.515  -3.265  10.152
   23   1HB   LYS   3           HB2      LYS   3  -3.043  -4.679   8.733
   24   2HB   LYS   3           HB1      LYS   3  -1.959  -4.419   7.372
   25   1HG   LYS   3           HG2      LYS   3  -1.211  -6.481   8.204
   26   2HG   LYS   3           HG1      LYS   3  -0.112  -5.356   8.993
   27   1HD   LYS   3           HD2      LYS   3  -1.475  -5.399  11.026
   28   2HD   LYS   3           HD1      LYS   3  -2.650  -6.445  10.233
   29   1HE   LYS   3           HE2      LYS   3  -0.907  -8.182   9.954
   30   2HE   LYS   3           HE1      LYS   3   0.257  -7.136  10.768
   31   1HZ   LYS   3           HZ2      LYS   3  -1.507  -7.105  12.627
   32   2HZ   LYS   3           HZ1      LYS   3  -2.096  -8.512  11.880
   33   3HZ   LYS   3           HZ3      LYS   3  -0.506  -8.466  12.467
   34    H    GLN   4           HN       GLN   4   0.658  -3.030  10.357
   35    HA   GLN   4           HA       GLN   4   2.192  -1.930   8.049
   36   1HB   GLN   4           HB2      GLN   4   2.384  -0.787  10.244
   37   2HB   GLN   4           HB1      GLN   4   2.979  -2.283  10.962
   38   1HG   GLN   4           HG2      GLN   4   4.901  -2.253   9.365
   39   2HG   GLN   4           HG1      GLN   4   4.317  -0.713   8.734
   40   1HE2  GLN   4          HE22      GLN   4   6.504   0.704  11.151
   41   2HE2  GLN   4          HE21      GLN   4   6.273   0.384   9.499
   42    H    ILE   5           HN       ILE   5   3.365  -3.327   6.857
   43    HA   ILE   5           HA       ILE   5   3.947  -6.048   7.937
   44    HB   ILE   5           HB       ILE   5   4.309  -4.990   5.128
   45   1HG1  ILE   5          HG12      ILE   5   1.963  -4.720   5.715
   46   2HG1  ILE   5          HG11      ILE   5   2.132  -6.117   4.657
   47   1HG2  ILE   5          HG23      ILE   5   4.148  -7.750   6.343
   48   2HG2  ILE   5          HG22      ILE   5   4.098  -7.427   4.618
   49   3HG2  ILE   5          HG21      ILE   5   5.535  -7.013   5.542
   50   1HD1  ILE   5          HD12      ILE   5   2.264  -7.521   6.822
   51   2HD1  ILE   5          HD11      ILE   5   1.651  -6.084   7.637
   52   3HD1  ILE   5          HD13      ILE   5   0.692  -6.863   6.383
   53    H    GLU   6           HN       GLU   6   5.948  -6.133   8.930
   54    HA   GLU   6           HA       GLU   6   8.095  -4.331   7.963
   55   1HB   GLU   6           HB2      GLU   6   8.037  -6.246  10.314
   56   2HB   GLU   6           HB1      GLU   6   9.312  -5.081   9.949
   57   1HG   GLU   6           HG2      GLU   6   8.021  -3.922  11.519
   58   2HG   GLU   6           HG1      GLU   6   7.402  -3.313   9.987
   59    H    SER   7           HN       SER   7   6.993  -7.403   7.182
   60    HA   SER   7           HA       SER   7   9.637  -8.041   6.001
   61   1HB   SER   7           HB2      SER   7   9.651 -10.325   6.940
   62   2HB   SER   7           HB1      SER   7   9.735  -9.107   8.217
   63    HG   SER   7           HG       SER   7   8.181 -10.695   8.698
   64    H    LYS   8           HN       LYS   8   9.508  -9.614   4.329
   65    HA   LYS   8           HA       LYS   8   7.074  -9.605   2.817
   66   1HB   LYS   8           HB2      LYS   8   9.426  -9.954   1.905
   67   2HB   LYS   8           HB1      LYS   8   9.332 -11.591   2.558
   68   1HG   LYS   8           HG2      LYS   8   7.285 -11.993   1.226
   69   2HG   LYS   8           HG1      LYS   8   7.441 -10.385   0.529
   70   1HD   LYS   8           HD2      LYS   8   8.398 -12.043  -1.000
   71   2HD   LYS   8           HD1      LYS   8   9.675 -11.007  -0.367
   72   1HE   LYS   8           HE2      LYS   8  10.597 -12.701   0.923
   73   2HE   LYS   8           HE1      LYS   8   9.057 -13.532   1.133
   74   1HZ   LYS   8           HZ1      LYS   8   9.203 -14.024  -1.325
   75   2HZ   LYS   8           HZ3      LYS   8  10.822 -13.525  -1.241
   76   3HZ   LYS   8           HZ2      LYS   8  10.297 -14.853  -0.322
   77    H    THR   9           HN       THR   9   8.465 -11.795   5.181
   78    HA   THR   9           HA       THR   9   6.815 -14.045   4.710
   79    HB   THR   9           HB       THR   9   7.703 -13.031   7.422
   80    HG1  THR   9           HG1      THR   9   9.521 -14.407   6.982
   81   1HG2  THR   9          HG21      THR   9   6.068 -14.890   7.422
   82   2HG2  THR   9          HG23      THR   9   7.139 -15.818   6.374
   83   3HG2  THR   9          HG22      THR   9   7.644 -15.412   8.015
   84    H    ALA  10           HN       ALA  10   6.278 -11.200   6.785
   85    HA   ALA  10           HA       ALA  10   3.622 -12.028   7.590
   86   1HB   ALA  10           HB3      ALA  10   5.110  -9.394   7.680
   87   2HB   ALA  10           HB2      ALA  10   3.416  -9.504   8.162
   88   3HB   ALA  10           HB1      ALA  10   4.643 -10.434   9.023
   89    H    PHE  11           HN       PHE  11   4.937 -10.267   4.856
   90    HA   PHE  11           HA       PHE  11   2.551  -9.024   3.918
   91   1HB   PHE  11           HB2      PHE  11   4.913  -8.744   2.990
   92   2HB   PHE  11           HB1      PHE  11   4.714 -10.299   2.209
   93    HD1  PHE  11           HD1      PHE  11   2.842  -7.063   2.586
   94    HD2  PHE  11           HD2      PHE  11   3.955 -10.322   0.006
   95    HE1  PHE  11           HE1      PHE  11   1.683  -5.964   0.691
   96    HE2  PHE  11           HE2      PHE  11   2.788  -9.223  -1.881
   97    HZ   PHE  11           HZ       PHE  11   1.655  -7.046  -1.542
   98    H    GLN  12           HN       GLN  12   3.920 -12.242   3.346
   99    HA   GLN  12           HA       GLN  12   1.877 -13.196   1.574
  100   1HB   GLN  12           HB2      GLN  12   3.648 -14.697   3.534
  101   2HB   GLN  12           HB1      GLN  12   2.715 -15.444   2.238
  102   1HG   GLN  12           HG2      GLN  12   4.889 -13.361   1.840
  103   2HG   GLN  12           HG1      GLN  12   5.086 -15.096   1.595
  104   1HE2  GLN  12          HE22      GLN  12   3.637 -12.940  -1.412
  105   2HE2  GLN  12          HE21      GLN  12   4.476 -12.293  -0.085
  106    H    GLU  13           HN       GLU  13   2.291 -13.399   5.097
  107    HA   GLU  13           HA       GLU  13  -0.073 -14.926   5.634
  108   1HB   GLU  13           HB2      GLU  13   1.487 -12.963   7.350
  109   2HB   GLU  13           HB1      GLU  13   0.208 -13.996   7.969
  110   1HG   GLU  13           HG2      GLU  13   2.717 -14.994   6.591
  111   2HG   GLU  13           HG1      GLU  13   2.474 -14.968   8.337
  112    H    ALA  14           HN       ALA  14   0.503 -11.462   5.299
  113    HA   ALA  14           HA       ALA  14  -2.089 -10.667   6.252
  114   1HB   ALA  14           HB1      ALA  14  -0.036  -9.178   5.951
  115   2HB   ALA  14           HB3      ALA  14  -0.416  -9.168   4.228
  116   3HB   ALA  14           HB2      ALA  14  -1.564  -8.504   5.391
  117    H    LEU  15           HN       LEU  15  -0.796 -11.405   3.016
  118    HA   LEU  15           HA       LEU  15  -3.143 -10.696   1.573
  119   1HB   LEU  15           HB2      LEU  15  -1.018 -12.782   1.022
  120   2HB   LEU  15           HB1      LEU  15  -2.269 -12.335  -0.140
  121    HG   LEU  15           HG       LEU  15  -0.414 -10.313   1.134
  122   1HD1  LEU  15          HD13      LEU  15  -0.101 -11.854  -1.455
  123   2HD1  LEU  15          HD12      LEU  15   0.809 -10.398  -1.065
  124   3HD1  LEU  15          HD11      LEU  15   1.000 -11.842  -0.080
  125   1HD2  LEU  15          HD21      LEU  15  -2.455 -10.264  -1.084
  126   2HD2  LEU  15          HD23      LEU  15  -2.182  -9.096   0.206
  127   3HD2  LEU  15          HD22      LEU  15  -1.078  -9.166  -1.162
  128    H    ASP  16           HN       ASP  16  -2.149 -13.711   3.153
  129    HA   ASP  16           HA       ASP  16  -4.461 -15.192   2.300
  130   1HB   ASP  16           HB2      ASP  16  -2.304 -16.202   3.125
  131   2HB   ASP  16           HB1      ASP  16  -2.775 -15.724   4.760
  132    H    ALA  17           HN       ALA  17  -3.728 -13.294   5.210
  133    HA   ALA  17           HA       ALA  17  -6.077 -14.028   6.682
  134   1HB   ALA  17           HB3      ALA  17  -4.343 -11.548   6.803
  135   2HB   ALA  17           HB2      ALA  17  -5.606 -11.924   7.976
  136   3HB   ALA  17           HB1      ALA  17  -4.204 -12.983   7.818
  137    H    ALA  18           HN       ALA  18  -5.470 -11.490   4.302
  138    HA   ALA  18           HA       ALA  18  -7.891 -10.017   4.721
  139   1HB   ALA  18           HB3      ALA  18  -6.172 -10.386   2.260
  140   2HB   ALA  18           HB2      ALA  18  -7.515  -9.246   2.351
  141   3HB   ALA  18           HB1      ALA  18  -6.116  -9.047   3.406
  142    H    GLY  19           HN       GLY  19  -7.230 -12.992   2.962
  143   1HA   GLY  19           HA2      GLY  19  -8.718 -14.533   1.998
  144   2HA   GLY  19           HA1      GLY  19 -10.024 -13.670   2.813
  145    H    ASP  20           HN       ASP  20 -11.509 -13.175   1.258
  146    HA   ASP  20           HA       ASP  20 -10.629 -12.478  -1.472
  147   1HB   ASP  20           HB2      ASP  20 -13.400 -12.777  -0.285
  148   2HB   ASP  20           HB1      ASP  20 -13.046 -12.510  -1.993
  149    H    LYS  21           HN       LYS  21 -10.883 -10.715   1.295
  150    HA   LYS  21           HA       LYS  21 -12.360  -8.402   0.304
  151   1HB   LYS  21           HB2      LYS  21 -10.406  -8.673   2.602
  152   2HB   LYS  21           HB1      LYS  21 -11.417  -7.263   2.296
  153   1HG   LYS  21           HG2      LYS  21 -13.421  -8.824   2.389
  154   2HG   LYS  21           HG1      LYS  21 -12.327 -10.059   3.010
  155   1HD   LYS  21           HD2      LYS  21 -12.575  -7.329   4.292
  156   2HD   LYS  21           HD1      LYS  21 -13.596  -8.686   4.759
  157   1HE   LYS  21           HE2      LYS  21 -10.565  -8.618   4.880
  158   2HE   LYS  21           HE1      LYS  21 -11.662  -8.542   6.253
  159   1HZ   LYS  21           HZ3      LYS  21 -12.563 -10.741   5.282
  160   2HZ   LYS  21           HZ2      LYS  21 -11.059 -10.817   4.490
  161   3HZ   LYS  21           HZ1      LYS  21 -11.128 -10.756   6.187
  162    H    LEU  22           HN       LEU  22 -11.415  -6.385  -0.392
  163    HA   LEU  22           HA       LEU  22  -9.139  -6.614  -2.050
  164   1HB   LEU  22           HB2      LEU  22 -10.748  -4.349  -0.942
  165   2HB   LEU  22           HB1      LEU  22  -9.188  -3.936  -1.632
  166    HG   LEU  22           HG       LEU  22 -11.397  -5.442  -3.060
  167   1HD1  LEU  22          HD12      LEU  22 -10.330  -2.607  -3.276
  168   2HD1  LEU  22          HD11      LEU  22 -11.485  -3.322  -4.394
  169   3HD1  LEU  22          HD13      LEU  22 -11.930  -3.077  -2.708
  170   1HD2  LEU  22          HD23      LEU  22  -8.511  -4.909  -3.652
  171   2HD2  LEU  22          HD22      LEU  22  -9.573  -6.175  -4.274
  172   3HD2  LEU  22          HD21      LEU  22  -9.623  -4.562  -4.974
  173    H    VAL  23           HN       VAL  23  -7.056  -5.572  -1.862
  174    HA   VAL  23           HA       VAL  23  -6.087  -4.987   0.862
  175    HB   VAL  23           HB       VAL  23  -4.774  -7.081  -0.906
  176   1HG1  VAL  23          HG12      VAL  23  -4.117  -5.877   1.790
  177   2HG1  VAL  23          HG11      VAL  23  -3.474  -7.440   1.289
  178   3HG1  VAL  23          HG13      VAL  23  -3.084  -5.988   0.366
  179   1HG2  VAL  23          HG23      VAL  23  -6.399  -7.325   1.641
  180   2HG2  VAL  23          HG22      VAL  23  -6.805  -7.998   0.060
  181   3HG2  VAL  23          HG21      VAL  23  -5.425  -8.627   0.960
  182    H    VAL  24           HN       VAL  24  -5.305  -2.979   0.462
  183    HA   VAL  24           HA       VAL  24  -3.821  -2.482  -2.083
  184    HB   VAL  24           HB       VAL  24  -4.865  -0.526   0.002
  185   1HG1  VAL  24          HG13      VAL  24  -2.831   0.200  -1.352
  186   2HG1  VAL  24          HG12      VAL  24  -3.831   0.031  -2.794
  187   3HG1  VAL  24          HG11      VAL  24  -4.259   1.214  -1.561
  188   1HG2  VAL  24          HG21      VAL  24  -5.942  -1.480  -2.652
  189   2HG2  VAL  24          HG23      VAL  24  -6.760  -1.426  -1.090
  190   3HG2  VAL  24          HG22      VAL  24  -6.419   0.070  -1.959
  191    H    VAL  25           HN       VAL  25  -1.625  -1.834  -1.965
  192    HA   VAL  25           HA       VAL  25  -0.372  -1.951   0.769
  193    HB   VAL  25           HB       VAL  25   0.857  -2.928  -1.822
  194   1HG1  VAL  25          HG12      VAL  25   2.398  -2.209   0.025
  195   2HG1  VAL  25          HG11      VAL  25   1.632  -3.412   1.064
  196   3HG1  VAL  25          HG13      VAL  25   2.522  -3.926  -0.366
  197   1HG2  VAL  25          HG23      VAL  25  -1.156  -4.263  -1.130
  198   2HG2  VAL  25          HG22      VAL  25   0.343  -5.182  -1.058
  199   3HG2  VAL  25          HG21      VAL  25  -0.376  -4.558   0.423
  200    H    ASP  26           HN       ASP  26   0.642  -0.113   1.278
  201    HA   ASP  26           HA       ASP  26   1.400   1.796  -0.891
  202   1HB   ASP  26           HB2      ASP  26   0.013   2.624   1.004
  203   2HB   ASP  26           HB1      ASP  26   1.299   2.186   2.125
  204    H    PHE  27           HN       PHE  27   3.522   1.863  -1.493
  205    HA   PHE  27           HA       PHE  27   5.584   0.597   0.264
  206   1HB   PHE  27           HB2      PHE  27   5.480   1.257  -2.684
  207   2HB   PHE  27           HB1      PHE  27   7.013   0.897  -1.881
  208    HD1  PHE  27           HD1      PHE  27   7.373  -1.300  -0.798
  209    HD2  PHE  27           HD2      PHE  27   3.879  -0.477  -3.156
  210    HE1  PHE  27           HE1      PHE  27   6.930  -3.734  -0.984
  211    HE2  PHE  27           HE2      PHE  27   3.441  -2.911  -3.341
  212    HZ   PHE  27           HZ       PHE  27   4.961  -4.539  -2.260
  213    H    SER  28           HN       SER  28   4.396   3.363   0.577
  214    HA   SER  28           HA       SER  28   6.248   5.323  -0.259
  215   1HB   SER  28           HB2      SER  28   4.651   5.294   2.315
  216   2HB   SER  28           HB1      SER  28   5.367   6.710   1.552
  217    HG   SER  28           HG       SER  28   3.031   6.114   1.127
  218    H    ALA  29           HN       ALA  29   8.037   6.257   0.717
  219    HA   ALA  29           HA       ALA  29   9.583   4.468   2.474
  220   1HB   ALA  29           HB3      ALA  29  10.137   6.916   0.828
  221   2HB   ALA  29           HB2      ALA  29  11.210   6.592   2.187
  222   3HB   ALA  29           HB1      ALA  29  11.030   5.401   0.898
  223    H    THR  30           HN       THR  30   9.608   4.758   4.685
  224    HA   THR  30           HA       THR  30   7.964   6.797   5.859
  225    HB   THR  30           HB       THR  30   8.397   4.671   7.022
  226    HG1  THR  30           HG1      THR  30   8.386   7.016   8.062
  227   1HG2  THR  30          HG21      THR  30  10.865   4.650   6.185
  228   2HG2  THR  30          HG23      THR  30  11.193   5.611   7.627
  229   3HG2  THR  30          HG22      THR  30  10.512   3.992   7.785
  230    H    TRP  31           HN       TRP  31  11.389   6.591   5.073
  231    HA   TRP  31           HA       TRP  31  12.122   8.957   6.622
  232   1HB   TRP  31           HB2      TRP  31  14.245   8.812   5.408
  233   2HB   TRP  31           HB1      TRP  31  13.765   7.231   6.025
  234    HD1  TRP  31           HD1      TRP  31  13.249   5.364   4.327
  235    HE1  TRP  31           HE1      TRP  31  13.471   5.149   1.769
  236    HE3  TRP  31           HE3      TRP  31  13.912  10.263   3.097
  237    HZ2  TRP  31           HZ2      TRP  31  13.839   6.842  -0.497
  238    HZ3  TRP  31           HZ3      TRP  31  14.167  10.941   0.730
  239    HH2  TRP  31           HH2      TRP  31  14.132   9.236  -1.068
  240    H    CYS  32           HN       CYS  32  10.630   8.520   3.522
  241    HA   CYS  32           HA       CYS  32  11.601  11.118   2.505
  242   1HB   CYS  32           HB2      CYS  32  11.109   9.057   1.049
  243   2HB   CYS  32           HB1      CYS  32   9.407   9.391   1.323
  244    H    GLY  33           HN       GLY  33  10.724  12.918   3.345
  245   1HA   GLY  33           HA2      GLY  33   8.375  13.004   4.920
  246   2HA   GLY  33           HA1      GLY  33   9.143  14.414   4.197
  247    HA   PRO  34           HA       PRO  34   6.155  14.931   0.967
  248   1HB   PRO  34           HB2      PRO  34   7.521  13.219  -1.056
  249   2HB   PRO  34           HB1      PRO  34   7.029  14.918  -1.170
  250   1HG   PRO  34           HG2      PRO  34   9.632  14.133  -0.859
  251   2HG   PRO  34           HG1      PRO  34   9.017  15.686  -0.281
  252   1HD   PRO  34           HD2      PRO  34   9.821  13.309   1.283
  253   2HD   PRO  34           HD1      PRO  34   9.650  14.992   1.828
  254    H    ALA  35           HN       ALA  35   7.320  11.567   1.033
  255    HA   ALA  35           HA       ALA  35   4.759  10.494   0.130
  256   1HB   ALA  35           HB2      ALA  35   7.281   9.510   0.095
  257   2HB   ALA  35           HB1      ALA  35   6.707   8.733   1.565
  258   3HB   ALA  35           HB3      ALA  35   5.860   8.468   0.039
  259    H    LYS  36           HN       LYS  36   6.478  10.721   3.245
  260    HA   LYS  36           HA       LYS  36   4.524   9.373   4.818
  261   1HB   LYS  36           HB2      LYS  36   6.827  10.060   5.594
  262   2HB   LYS  36           HB1      LYS  36   6.231  11.718   5.704
  263   1HG   LYS  36           HG2      LYS  36   4.422  10.901   7.242
  264   2HG   LYS  36           HG1      LYS  36   5.185   9.311   7.217
  265   1HD   LYS  36           HD2      LYS  36   7.292  10.351   8.056
  266   2HD   LYS  36           HD1      LYS  36   6.441  11.891   8.183
  267   1HE   LYS  36           HE2      LYS  36   4.858  10.935   9.774
  268   2HE   LYS  36           HE1      LYS  36   5.601   9.344   9.596
  269   1HZ   LYS  36           HZ2      LYS  36   7.650  11.100  10.190
  270   2HZ   LYS  36           HZ1      LYS  36   6.383  11.493  11.255
  271   3HZ   LYS  36           HZ3      LYS  36   6.989   9.909  11.203
  272    H    MET  37           HN       MET  37   4.727  12.639   3.576
  273    HA   MET  37           HA       MET  37   2.706  13.874   5.144
  274   1HB   MET  37           HB2      MET  37   4.285  15.022   3.536
  275   2HB   MET  37           HB1      MET  37   3.267  14.432   2.221
  276   1HG   MET  37           HG2      MET  37   1.311  15.564   3.288
  277   2HG   MET  37           HG1      MET  37   2.401  16.239   4.495
  278   1HE   MET  37           HE3      MET  37   0.670  18.023   3.275
  279   2HE   MET  37           HE2      MET  37   2.055  18.887   3.946
  280   3HE   MET  37           HE1      MET  37   1.481  19.278   2.326
  281    H    ILE  38           HN       ILE  38   2.490  11.687   2.405
  282    HA   ILE  38           HA       ILE  38  -0.367  12.190   2.004
  283    HB   ILE  38           HB       ILE  38   1.119   9.806   0.884
  284   1HG1  ILE  38          HG12      ILE  38   1.109  12.616  -0.275
  285   2HG1  ILE  38          HG11      ILE  38   2.501  11.865   0.508
  286   1HG2  ILE  38          HG23      ILE  38  -1.170  11.550  -0.090
  287   2HG2  ILE  38          HG22      ILE  38  -0.453  10.240  -1.024
  288   3HG2  ILE  38          HG21      ILE  38  -1.286   9.889   0.480
  289   1HD1  ILE  38          HD11      ILE  38   2.154   9.937  -1.198
  290   2HD1  ILE  38          HD13      ILE  38   1.175  11.106  -2.084
  291   3HD1  ILE  38          HD12      ILE  38   2.876  11.437  -1.771
  292    H    LYS  39           HN       LYS  39   1.309  10.413   4.365
  293    HA   LYS  39           HA       LYS  39  -0.217   8.034   4.316
  294   1HB   LYS  39           HB2      LYS  39   0.590   7.453   6.427
  295   2HB   LYS  39           HB1      LYS  39   1.871   8.425   5.722
  296   1HG   LYS  39           HG2      LYS  39   1.432  10.257   7.143
  297   2HG   LYS  39           HG1      LYS  39  -0.184   9.696   7.554
  298   1HD   LYS  39           HD2      LYS  39   2.378   8.287   8.341
  299   2HD   LYS  39           HD1      LYS  39   1.466   9.368   9.391
  300   1HE   LYS  39           HE2      LYS  39   0.478   7.413  10.081
  301   2HE   LYS  39           HE1      LYS  39  -0.516   7.639   8.640
  302   1HZ   LYS  39           HZ1      LYS  39   1.819   6.443   7.787
  303   2HZ   LYS  39           HZ3      LYS  39   1.380   5.616   9.201
  304   3HZ   LYS  39           HZ2      LYS  39   0.282   5.726   7.908
  305    HA   PRO  40           HA       PRO  40  -3.323  10.206   7.390
  306   1HB   PRO  40           HB2      PRO  40  -3.806  12.665   5.783
  307   2HB   PRO  40           HB1      PRO  40  -3.677  12.477   7.543
  308   1HG   PRO  40           HG2      PRO  40  -1.731  13.661   6.096
  309   2HG   PRO  40           HG1      PRO  40  -1.365  12.687   7.527
  310   1HD   PRO  40           HD2      PRO  40  -1.062  11.979   4.645
  311   2HD   PRO  40           HD1      PRO  40  -0.039  11.500   6.012
  312    H    PHE  41           HN       PHE  41  -3.356  10.756   3.850
  313    HA   PHE  41           HA       PHE  41  -6.211  10.265   3.615
  314   1HB   PHE  41           HB2      PHE  41  -3.948  10.161   1.594
  315   2HB   PHE  41           HB1      PHE  41  -5.643   9.935   1.186
  316    HD1  PHE  41           HD2      PHE  41  -3.284  12.326   2.790
  317    HD2  PHE  41           HD1      PHE  41  -7.053  11.773   0.815
  318    HE1  PHE  41           HE2      PHE  41  -3.587  14.786   2.686
  319    HE2  PHE  41           HE1      PHE  41  -7.363  14.234   0.710
  320    HZ   PHE  41           HZ       PHE  41  -5.626  15.741   1.641
  321    H    PHE  42           HN       PHE  42  -3.316   8.299   2.861
  322    HA   PHE  42           HA       PHE  42  -4.699   5.890   2.191
  323   1HB   PHE  42           HB2      PHE  42  -2.285   6.306   1.737
  324   2HB   PHE  42           HB1      PHE  42  -1.956   6.264   3.469
  325    HD1  PHE  42           HD1      PHE  42  -3.207   4.219   0.615
  326    HD2  PHE  42           HD2      PHE  42  -1.652   4.187   4.618
  327    HE1  PHE  42           HE1      PHE  42  -2.985   1.755   0.503
  328    HE2  PHE  42           HE2      PHE  42  -1.428   1.713   4.506
  329    HZ   PHE  42           HZ       PHE  42  -2.096   0.498   2.447
  330    H    HIS  43           HN       HIS  43  -3.345   7.047   5.241
  331    HA   HIS  43           HA       HIS  43  -4.194   4.817   6.839
  332   1HB   HIS  43           HB2      HIS  43  -2.375   6.329   7.504
  333   2HB   HIS  43           HB1      HIS  43  -3.513   7.669   7.614
  334    HD1  HIS  43           HD1      HIS  43  -2.383   4.600   9.413
  335    HD2  HIS  43           HD2      HIS  43  -5.296   7.539   9.820
  336    HE1  HIS  43           HE1      HIS  43  -3.416   4.271  11.706
  337    H    SER  44           HN       SER  44  -5.592   8.073   6.349
  338    HA   SER  44           HA       SER  44  -7.783   7.726   8.117
  339   1HB   SER  44           HB2      SER  44  -7.609   9.421   5.616
  340   2HB   SER  44           HB1      SER  44  -8.902   9.519   6.799
  341    HG   SER  44           HG       SER  44  -7.298  11.045   7.264
  342    H    LEU  45           HN       LEU  45  -7.427   6.900   4.679
  343    HA   LEU  45           HA       LEU  45 -10.140   6.245   4.188
  344   1HB   LEU  45           HB2      LEU  45  -7.604   5.216   2.937
  345   2HB   LEU  45           HB1      LEU  45  -9.193   4.761   2.351
  346    HG   LEU  45           HG       LEU  45  -8.452   7.671   2.687
  347   1HD1  LEU  45          HD12      LEU  45  -6.733   6.645   1.231
  348   2HD1  LEU  45          HD11      LEU  45  -8.007   5.960   0.222
  349   3HD1  LEU  45          HD13      LEU  45  -7.800   7.709   0.311
  350   1HD2  LEU  45          HD21      LEU  45 -10.494   6.139   1.055
  351   2HD2  LEU  45          HD23      LEU  45 -10.795   7.330   2.319
  352   3HD2  LEU  45          HD22      LEU  45 -10.127   7.840   0.777
  353    H    SER  46           HN       SER  46  -7.700   4.445   5.905
  354    HA   SER  46           HA       SER  46  -8.722   1.843   5.589
  355   1HB   SER  46           HB2      SER  46  -7.603   3.080   8.133
  356   2HB   SER  46           HB1      SER  46  -7.749   1.356   7.806
  357    HG   SER  46           HG       SER  46  -6.072   1.453   6.519
  358    H    GLU  47           HN       GLU  47  -9.862   4.503   7.649
  359    HA   GLU  47           HA       GLU  47 -12.023   2.825   8.747
  360   1HB   GLU  47           HB2      GLU  47 -11.390   5.780   9.057
  361   2HB   GLU  47           HB1      GLU  47 -12.724   4.952   9.865
  362   1HG   GLU  47           HG2      GLU  47  -9.842   4.063  10.100
  363   2HG   GLU  47           HG1      GLU  47 -10.620   5.142  11.258
  364    H    LYS  48           HN       LYS  48 -11.531   4.887   5.989
  365    HA   LYS  48           HA       LYS  48 -14.350   5.580   5.658
  366   1HB   LYS  48           HB2      LYS  48 -12.443   6.869   4.564
  367   2HB   LYS  48           HB1      LYS  48 -12.235   5.486   3.485
  368   1HG   LYS  48           HG2      LYS  48 -14.636   5.690   2.822
  369   2HG   LYS  48           HG1      LYS  48 -14.747   7.148   3.806
  370   1HD   LYS  48           HD2      LYS  48 -12.984   8.206   2.440
  371   2HD   LYS  48           HD1      LYS  48 -12.888   6.753   1.446
  372   1HE   LYS  48           HE2      LYS  48 -14.331   8.424   0.363
  373   2HE   LYS  48           HE1      LYS  48 -15.282   7.020   0.851
  374   1HZ   LYS  48           HZ1      LYS  48 -14.994   9.290   2.696
  375   2HZ   LYS  48           HZ3      LYS  48 -16.108   9.391   1.423
  376   3HZ   LYS  48           HZ2      LYS  48 -16.247   8.151   2.578
  377    H    TYR  49           HN       TYR  49 -12.128   3.100   4.580
  378    HA   TYR  49           HA       TYR  49 -14.467   1.487   3.588
  379   1HB   TYR  49           HB2      TYR  49 -11.618   1.546   2.523
  380   2HB   TYR  49           HB1      TYR  49 -12.855   0.397   2.019
  381    HD1  TYR  49           HD2      TYR  49 -15.105   1.397   1.185
  382    HD2  TYR  49           HD1      TYR  49 -11.426   3.607   1.385
  383    HE1  TYR  49           HE2      TYR  49 -16.003   3.036  -0.443
  384    HE2  TYR  49           HE1      TYR  49 -12.325   5.245  -0.247
  385    HH   TYR  49           HH       TYR  49 -14.281   5.996  -1.210
  386    H    SER  50           HN       SER  50 -14.320   1.069   6.029
  387    HA   SER  50           HA       SER  50 -12.160  -0.445   7.130
  388   1HB   SER  50           HB2      SER  50 -13.658  -0.892   8.959
  389   2HB   SER  50           HB1      SER  50 -13.978   0.748   8.419
  390    HG   SER  50           HG       SER  50 -15.749  -0.037   7.255
  391    H    ASN  51           HN       ASN  51 -14.397  -1.223   4.754
  392    HA   ASN  51           HA       ASN  51 -14.464  -4.119   5.383
  393   1HB   ASN  51           HB2      ASN  51 -16.460  -2.855   4.414
  394   2HB   ASN  51           HB1      ASN  51 -15.534  -2.717   2.922
  395   1HD2  ASN  51          HD22      ASN  51 -16.439  -5.947   1.877
  396   2HD2  ASN  51          HD21      ASN  51 -15.933  -4.382   1.460
  397    H    VAL  52           HN       VAL  52 -12.208  -2.121   4.256
  398    HA   VAL  52           HA       VAL  52 -11.108  -4.114   2.318
  399    HB   VAL  52           HB       VAL  52 -10.875  -1.087   2.236
  400   1HG1  VAL  52          HG12      VAL  52  -9.473  -3.290   0.723
  401   2HG1  VAL  52          HG11      VAL  52  -9.674  -1.685   0.018
  402   3HG1  VAL  52          HG13      VAL  52  -8.773  -1.879   1.519
  403   1HG2  VAL  52          HG23      VAL  52 -12.224  -3.122   0.441
  404   2HG2  VAL  52          HG22      VAL  52 -12.996  -1.814   1.337
  405   3HG2  VAL  52          HG21      VAL  52 -11.942  -1.446  -0.030
  406    H    ILE  53           HN       ILE  53  -8.866  -4.537   2.601
  407    HA   ILE  53           HA       ILE  53  -7.800  -3.628   5.244
  408    HB   ILE  53           HB       ILE  53  -6.694  -5.766   3.399
  409   1HG1  ILE  53          HG12      ILE  53  -8.959  -6.422   3.956
  410   2HG1  ILE  53          HG11      ILE  53  -7.863  -7.361   4.964
  411   1HG2  ILE  53          HG21      ILE  53  -5.294  -4.719   5.295
  412   2HG2  ILE  53          HG23      ILE  53  -6.401  -5.519   6.399
  413   3HG2  ILE  53          HG22      ILE  53  -5.429  -6.471   5.277
  414   1HD1  ILE  53          HD13      ILE  53  -8.208  -5.434   6.703
  415   2HD1  ILE  53          HD12      ILE  53  -9.639  -5.063   5.746
  416   3HD1  ILE  53          HD11      ILE  53  -9.475  -6.644   6.502
  417    H    PHE  54           HN       PHE  54  -6.252  -2.066   5.286
  418    HA   PHE  54           HA       PHE  54  -4.753  -1.433   2.753
  419   1HB   PHE  54           HB2      PHE  54  -5.273   0.232   5.238
  420   2HB   PHE  54           HB1      PHE  54  -4.256   0.743   3.896
  421    HD1  PHE  54           HD1      PHE  54  -7.720  -0.415   4.706
  422    HD2  PHE  54           HD2      PHE  54  -5.219   1.839   2.034
  423    HE1  PHE  54           HE1      PHE  54  -9.735   0.469   3.555
  424    HE2  PHE  54           HE2      PHE  54  -7.242   2.705   0.873
  425    HZ   PHE  54           HZ       PHE  54  -9.493   2.014   1.638
  426    H    LEU  55           HN       LEU  55  -2.577  -1.925   2.725
  427    HA   LEU  55           HA       LEU  55  -1.198  -2.497   5.333
  428   1HB   LEU  55           HB2      LEU  55  -0.683  -3.581   2.552
  429   2HB   LEU  55           HB1      LEU  55   0.509  -3.717   3.841
  430    HG   LEU  55           HG       LEU  55  -0.963  -5.076   5.160
  431   1HD1  LEU  55          HD11      LEU  55  -3.059  -4.229   3.176
  432   2HD1  LEU  55          HD13      LEU  55  -3.245  -5.722   4.101
  433   3HD1  LEU  55          HD12      LEU  55  -3.102  -4.182   4.940
  434   1HD2  LEU  55          HD22      LEU  55   0.236  -6.204   3.329
  435   2HD2  LEU  55          HD21      LEU  55  -1.310  -6.986   3.647
  436   3HD2  LEU  55          HD23      LEU  55  -1.129  -5.920   2.255
  437    H    GLU  56           HN       GLU  56   0.684  -1.450   5.806
  438    HA   GLU  56           HA       GLU  56   1.609   0.649   3.865
  439   1HB   GLU  56           HB2      GLU  56   0.768   1.419   6.146
  440   2HB   GLU  56           HB1      GLU  56   2.107   0.524   6.863
  441   1HG   GLU  56           HG2      GLU  56   3.680   1.860   5.420
  442   2HG   GLU  56           HG1      GLU  56   2.300   2.837   4.911
  443    H    VAL  57           HN       VAL  57   3.659   0.306   3.046
  444    HA   VAL  57           HA       VAL  57   5.397  -1.714   4.439
  445    HB   VAL  57           HB       VAL  57   5.112  -1.322   1.445
  446   1HG1  VAL  57          HG13      VAL  57   6.655  -3.345   3.099
  447   2HG1  VAL  57          HG12      VAL  57   6.526  -3.351   1.343
  448   3HG1  VAL  57          HG11      VAL  57   7.374  -2.040   2.157
  449   1HG2  VAL  57          HG23      VAL  57   4.186  -3.547   3.283
  450   2HG2  VAL  57          HG22      VAL  57   3.142  -2.383   2.476
  451   3HG2  VAL  57          HG21      VAL  57   4.058  -3.555   1.522
  452    H    ASP  58           HN       ASP  58   7.436  -1.133   4.786
  453    HA   ASP  58           HA       ASP  58   8.324   1.576   3.931
  454   1HB   ASP  58           HB2      ASP  58   8.380   0.791   6.359
  455   2HB   ASP  58           HB1      ASP  58   9.634  -0.348   5.858
  456    H    VAL  59           HN       VAL  59   9.591   1.591   2.080
  457    HA   VAL  59           HA       VAL  59  10.766  -0.810   0.980
  458    HB   VAL  59           HB       VAL  59  11.984   0.715  -0.514
  459   1HG1  VAL  59          HG11      VAL  59   9.587   0.295  -0.952
  460   2HG1  VAL  59          HG13      VAL  59   9.170   1.688   0.043
  461   3HG1  VAL  59          HG12      VAL  59  10.061   1.914  -1.463
  462   1HG2  VAL  59          HG21      VAL  59  11.166   2.750   1.559
  463   2HG2  VAL  59          HG23      VAL  59  12.758   2.457   0.857
  464   3HG2  VAL  59          HG22      VAL  59  11.507   3.245  -0.103
  465    H    ASP  60           HN       ASP  60  11.707   1.399   3.472
  466    HA   ASP  60           HA       ASP  60  14.563   0.643   3.293
  467   1HB   ASP  60           HB2      ASP  60  12.965   2.581   4.950
  468   2HB   ASP  60           HB1      ASP  60  14.606   2.167   5.398
  469    H    ASP  61           HN       ASP  61  11.850   0.109   5.597
  470    HA   ASP  61           HA       ASP  61  13.653  -1.692   7.169
  471   1HB   ASP  61           HB2      ASP  61  10.829  -0.730   7.746
  472   2HB   ASP  61           HB1      ASP  61  11.782  -1.771   8.794
  473    H    ALA  62           HN       ALA  62  11.188  -1.728   4.811
  474    HA   ALA  62           HA       ALA  62  10.870  -4.692   5.111
  475   1HB   ALA  62           HB2      ALA  62   8.806  -3.110   5.454
  476   2HB   ALA  62           HB1      ALA  62   8.857  -2.952   3.698
  477   3HB   ALA  62           HB3      ALA  62   8.629  -4.536   4.435
  478    H    GLN  63           HN       GLN  63  12.986  -3.406   3.753
  479    HA   GLN  63           HA       GLN  63  12.560  -3.000   0.981
  480   1HB   GLN  63           HB2      GLN  63  14.956  -3.271   0.742
  481   2HB   GLN  63           HB1      GLN  63  14.654  -2.433   2.262
  482   1HG   GLN  63           HG2      GLN  63  14.766  -4.676   3.418
  483   2HG   GLN  63           HG1      GLN  63  15.316  -5.366   1.892
  484   1HE2  GLN  63          HE22      GLN  63  18.021  -3.604   4.218
  485   2HE2  GLN  63          HE21      GLN  63  16.498  -4.128   4.758
  486    H    ASP  64           HN       ASP  64  12.566  -5.925   2.831
  487    HA   ASP  64           HA       ASP  64  13.339  -7.744   0.773
  488   1HB   ASP  64           HB2      ASP  64  12.003  -9.414   2.125
  489   2HB   ASP  64           HB1      ASP  64  13.235  -8.546   3.029
  490    H    VAL  65           HN       VAL  65  10.247  -6.207   1.577
  491    HA   VAL  65           HA       VAL  65   8.717  -7.777  -0.331
  492    HB   VAL  65           HB       VAL  65   8.045  -5.004   0.702
  493   1HG1  VAL  65          HG12      VAL  65   6.687  -6.150  -1.150
  494   2HG1  VAL  65          HG11      VAL  65   6.183  -7.302   0.088
  495   3HG1  VAL  65          HG13      VAL  65   5.790  -5.589   0.263
  496   1HG2  VAL  65          HG21      VAL  65   7.999  -7.672   2.083
  497   2HG2  VAL  65          HG23      VAL  65   8.437  -6.096   2.726
  498   3HG2  VAL  65          HG22      VAL  65   6.741  -6.499   2.464
  499    H    ALA  66           HN       ALA  66  10.290  -4.589  -0.349
  500    HA   ALA  66           HA       ALA  66   9.418  -3.824  -2.978
  501   1HB   ALA  66           HB2      ALA  66  11.558  -2.876  -1.104
  502   2HB   ALA  66           HB1      ALA  66  11.531  -2.278  -2.759
  503   3HB   ALA  66           HB3      ALA  66  10.142  -2.013  -1.703
  504    H    SER  67           HN       SER  67  12.414  -5.408  -1.810
  505    HA   SER  67           HA       SER  67  13.761  -5.366  -4.327
  506   1HB   SER  67           HB2      SER  67  15.066  -7.279  -3.461
  507   2HB   SER  67           HB1      SER  67  14.879  -6.041  -2.221
  508    HG   SER  67           HG       SER  67  14.344  -8.471  -1.857
  509    H    GLU  68           HN       GLU  68  11.405  -7.640  -2.979
  510    HA   GLU  68           HA       GLU  68  11.549  -9.522  -5.141
  511   1HB   GLU  68           HB2      GLU  68  10.499 -10.012  -2.932
  512   2HB   GLU  68           HB1      GLU  68   9.194  -8.894  -3.331
  513   1HG   GLU  68           HG2      GLU  68   8.679 -10.267  -5.349
  514   2HG   GLU  68           HG1      GLU  68   9.922 -11.414  -4.851
  515    H    ALA  69           HN       ALA  69   9.555  -6.623  -4.584
  516    HA   ALA  69           HA       ALA  69   8.139  -7.009  -7.135
  517   1HB   ALA  69           HB1      ALA  69   8.013  -4.819  -5.056
  518   2HB   ALA  69           HB3      ALA  69   7.007  -4.868  -6.503
  519   3HB   ALA  69           HB2      ALA  69   6.860  -6.133  -5.282
  520    H    GLU  70           HN       GLU  70  11.134  -5.718  -6.345
  521    HA   GLU  70           HA       GLU  70  12.569  -4.247  -7.494
  522   1HB   GLU  70           HB2      GLU  70  10.723  -5.113  -9.736
  523   2HB   GLU  70           HB1      GLU  70  12.171  -4.144  -9.986
  524   1HG   GLU  70           HG2      GLU  70  12.793  -6.418 -10.352
  525   2HG   GLU  70           HG1      GLU  70  13.465  -5.958  -8.786
  526    H    VAL  71           HN       VAL  71  10.726  -2.792  -6.041
  527    HA   VAL  71           HA       VAL  71   9.173  -0.999  -7.676
  528    HB   VAL  71           HB       VAL  71  10.360  -0.435  -4.936
  529   1HG1  VAL  71          HG11      VAL  71   8.016   0.688  -6.504
  530   2HG1  VAL  71          HG13      VAL  71   8.310   1.033  -4.799
  531   3HG1  VAL  71          HG12      VAL  71   9.481   1.542  -6.021
  532   1HG2  VAL  71          HG22      VAL  71   7.708  -1.734  -5.697
  533   2HG2  VAL  71          HG21      VAL  71   9.069  -2.559  -4.940
  534   3HG2  VAL  71          HG23      VAL  71   8.201  -1.302  -4.060
  535    H    LYS  72           HN       LYS  72   9.836   0.802  -8.801
  536    HA   LYS  72           HA       LYS  72  12.721   1.516  -8.641
  537   1HB   LYS  72           HB2      LYS  72  10.664   2.074 -10.783
  538   2HB   LYS  72           HB1      LYS  72  12.345   2.597 -10.848
  539   1HG   LYS  72           HG2      LYS  72  11.489  -0.311 -10.591
  540   2HG   LYS  72           HG1      LYS  72  11.890   0.466 -12.122
  541   1HD   LYS  72           HD2      LYS  72  14.133   1.116 -10.905
  542   2HD   LYS  72           HD1      LYS  72  13.701  -0.192  -9.802
  543   1HE   LYS  72           HE2      LYS  72  15.117  -1.075 -11.576
  544   2HE   LYS  72           HE1      LYS  72  13.489  -1.725 -11.752
  545   1HZ   LYS  72           HZ2      LYS  72  14.164   0.768 -13.139
  546   2HZ   LYS  72           HZ1      LYS  72  14.745  -0.696 -13.778
  547   3HZ   LYS  72           HZ3      LYS  72  13.076  -0.460 -13.588
  548    H    ALA  73           HN       ALA  73   9.657   2.720  -7.698
  549    HA   ALA  73           HA       ALA  73  10.943   5.215  -6.842
  550   1HB   ALA  73           HB1      ALA  73   9.097   5.103  -9.178
  551   2HB   ALA  73           HB3      ALA  73   8.864   6.446  -8.057
  552   3HB   ALA  73           HB2      ALA  73  10.423   6.218  -8.847
  553    H    THR  74           HN       THR  74   9.647   6.440  -5.369
  554    HA   THR  74           HA       THR  74   7.202   5.072  -4.320
  555    HB   THR  74           HB       THR  74   7.959   5.490  -2.042
  556    HG1  THR  74           HG1      THR  74   9.043   7.266  -1.923
  557   1HG2  THR  74          HG23      THR  74  10.047   4.264  -3.805
  558   2HG2  THR  74          HG22      THR  74  10.250   4.346  -2.064
  559   3HG2  THR  74          HG21      THR  74   8.889   3.462  -2.754
  560    HA   PRO  75           HA       PRO  75   5.846   5.678  -2.516
  561   1HB   PRO  75           HB2      PRO  75   3.268   6.674  -2.466
  562   2HB   PRO  75           HB1      PRO  75   4.524   7.095  -1.293
  563   1HG   PRO  75           HG2      PRO  75   3.415   8.731  -3.504
  564   2HG   PRO  75           HG1      PRO  75   4.212   9.246  -2.012
  565   1HD   PRO  75           HD2      PRO  75   5.379   9.173  -4.615
  566   2HD   PRO  75           HD1      PRO  75   6.239   9.448  -3.072
  567    H    THR  76           HN       THR  76   4.880   3.827  -3.248
  568    HA   THR  76           HA       THR  76   3.439   3.936  -5.875
  569    HB   THR  76           HB       THR  76   5.310   1.742  -4.939
  570    HG1  THR  76           HG1      THR  76   6.206   2.599  -7.117
  571   1HG2  THR  76          HG21      THR  76   3.568   2.108  -7.373
  572   2HG2  THR  76          HG23      THR  76   4.912   0.966  -7.332
  573   3HG2  THR  76          HG22      THR  76   3.552   0.766  -6.224
  574    H    PHE  77           HN       PHE  77   1.533   2.868  -5.889
  575    HA   PHE  77           HA       PHE  77   0.751   1.379  -3.404
  576   1HB   PHE  77           HB2      PHE  77  -1.002   2.795  -5.438
  577   2HB   PHE  77           HB1      PHE  77  -1.565   1.966  -3.986
  578    HD1  PHE  77           HD1      PHE  77  -1.156   2.912  -1.747
  579    HD2  PHE  77           HD2      PHE  77   0.182   4.900  -5.312
  580    HE1  PHE  77           HE1      PHE  77  -0.749   4.981  -0.439
  581    HE2  PHE  77           HE2      PHE  77   0.593   6.972  -4.007
  582    HZ   PHE  77           HZ       PHE  77   0.126   7.011  -1.567
  583    H    GLN  78           HN       GLN  78   0.193  -0.749  -3.655
  584    HA   GLN  78           HA       GLN  78  -0.233  -1.773  -6.448
  585   1HB   GLN  78           HB2      GLN  78   1.280  -3.046  -4.159
  586   2HB   GLN  78           HB1      GLN  78   0.784  -3.926  -5.605
  587   1HG   GLN  78           HG2      GLN  78   2.032  -2.257  -6.993
  588   2HG   GLN  78           HG1      GLN  78   2.614  -1.507  -5.506
  589   1HE2  GLN  78          HE22      GLN  78   5.379  -3.726  -5.864
  590   2HE2  GLN  78          HE21      GLN  78   4.860  -2.114  -6.002
  591    H    PHE  79           HN       PHE  79  -1.894  -3.222  -6.692
  592    HA   PHE  79           HA       PHE  79  -3.684  -3.554  -4.305
  593   1HB   PHE  79           HB2      PHE  79  -4.273  -3.580  -7.277
  594   2HB   PHE  79           HB1      PHE  79  -5.469  -3.920  -6.017
  595    HD1  PHE  79           HD2      PHE  79  -3.032  -1.376  -7.211
  596    HD2  PHE  79           HD1      PHE  79  -6.527  -2.138  -4.836
  597    HE1  PHE  79           HE2      PHE  79  -3.319   1.056  -6.861
  598    HE2  PHE  79           HE1      PHE  79  -6.813   0.300  -4.478
  599    HZ   PHE  79           HZ       PHE  79  -5.212   1.899  -5.495
  600    H    PHE  80           HN       PHE  80  -4.033  -5.522  -3.532
  601    HA   PHE  80           HA       PHE  80  -3.396  -7.903  -5.229
  602   1HB   PHE  80           HB2      PHE  80  -2.837  -7.430  -2.294
  603   2HB   PHE  80           HB1      PHE  80  -2.828  -9.034  -3.028
  604    HD1  PHE  80           HD2      PHE  80  -1.128  -5.748  -2.907
  605    HD2  PHE  80           HD1      PHE  80  -1.123  -9.700  -4.603
  606    HE1  PHE  80           HE2      PHE  80   1.192  -5.408  -3.703
  607    HE2  PHE  80           HE1      PHE  80   1.200  -9.354  -5.399
  608    HZ   PHE  80           HZ       PHE  80   2.356  -7.209  -4.948
  609    H    LYS  81           HN       LYS  81  -4.916  -9.563  -5.140
  610    HA   LYS  81           HA       LYS  81  -7.126  -9.380  -3.172
  611   1HB   LYS  81           HB2      LYS  81  -7.657  -8.075  -5.371
  612   2HB   LYS  81           HB1      LYS  81  -7.770  -9.670  -6.118
  613   1HG   LYS  81           HG2      LYS  81  -9.434 -10.303  -4.337
  614   2HG   LYS  81           HG1      LYS  81  -9.393  -8.635  -3.778
  615   1HD   LYS  81           HD2      LYS  81 -10.014  -7.964  -6.169
  616   2HD   LYS  81           HD1      LYS  81 -10.362  -9.670  -6.450
  617   1HE   LYS  81           HE2      LYS  81 -11.603  -8.013  -4.235
  618   2HE   LYS  81           HE1      LYS  81 -12.389  -8.374  -5.772
  619   1HZ   LYS  81           HZ3      LYS  81 -11.919 -10.788  -5.200
  620   2HZ   LYS  81           HZ2      LYS  81 -11.617 -10.247  -3.618
  621   3HZ   LYS  81           HZ1      LYS  81 -13.147 -10.015  -4.320
  622    H    LYS  82           HN       LYS  82  -7.496 -11.425  -2.458
  623    HA   LYS  82           HA       LYS  82  -7.415 -13.757  -2.307
  624   1HB   LYS  82           HB2      LYS  82  -7.546 -13.627  -5.346
  625   2HB   LYS  82           HB1      LYS  82  -7.792 -15.067  -4.367
  626   1HG   LYS  82           HG2      LYS  82  -9.630 -13.680  -3.167
  627   2HG   LYS  82           HG1      LYS  82  -9.536 -12.616  -4.568
  628   1HD   LYS  82           HD2      LYS  82  -9.964 -14.570  -6.046
  629   2HD   LYS  82           HD1      LYS  82 -10.134 -15.588  -4.617
  630   1HE   LYS  82           HE2      LYS  82 -12.012 -14.180  -3.838
  631   2HE   LYS  82           HE1      LYS  82 -11.849 -13.173  -5.276
  632   1HZ   LYS  82           HZ3      LYS  82 -12.033 -15.967  -5.887
  633   2HZ   LYS  82           HZ2      LYS  82 -13.401 -15.393  -5.057
  634   3HZ   LYS  82           HZ1      LYS  82 -12.920 -14.664  -6.513
  635    H    GLY  83           HN       GLY  83  -4.900 -12.158  -2.547
  636   1HA   GLY  83           HA2      GLY  83  -2.627 -12.794  -2.403
  637   2HA   GLY  83           HA1      GLY  83  -3.090 -14.419  -2.891
  638    H    GLN  84           HN       GLN  84  -4.294 -11.973  -4.971
  639    HA   GLN  84           HA       GLN  84  -2.050 -12.466  -6.898
  640   1HB   GLN  84           HB2      GLN  84  -5.025 -12.323  -7.410
  641   2HB   GLN  84           HB1      GLN  84  -3.806 -12.328  -8.686
  642   1HG   GLN  84           HG2      GLN  84  -2.928 -14.485  -7.769
  643   2HG   GLN  84           HG1      GLN  84  -4.267 -14.495  -6.621
  644   1HE2  GLN  84          HE22      GLN  84  -6.603 -14.602  -9.586
  645   2HE2  GLN  84          HE21      GLN  84  -6.280 -13.415  -8.412
  646    H    LYS  85           HN       LYS  85  -1.365 -10.728  -8.142
  647    HA   LYS  85           HA       LYS  85  -2.068  -8.039  -7.154
  648   1HB   LYS  85           HB2      LYS  85   0.269  -8.732  -7.776
  649   2HB   LYS  85           HB1      LYS  85  -0.262  -8.848  -9.455
  650   1HG   LYS  85           HG2      LYS  85  -0.986  -6.453  -9.338
  651   2HG   LYS  85           HG1      LYS  85  -0.285  -6.364  -7.722
  652   1HD   LYS  85           HD2      LYS  85   1.907  -7.055  -8.670
  653   2HD   LYS  85           HD1      LYS  85   1.188  -7.034 -10.280
  654   1HE   LYS  85           HE2      LYS  85   0.660  -4.658 -10.038
  655   2HE   LYS  85           HE1      LYS  85   1.313  -4.665  -8.401
  656   1HZ   LYS  85           HZ3      LYS  85   3.067  -5.698 -10.465
  657   2HZ   LYS  85           HZ2      LYS  85   2.738  -4.033 -10.554
  658   3HZ   LYS  85           HZ1      LYS  85   3.416  -4.694  -9.143
  659    H    VAL  86           HN       VAL  86  -3.622  -6.789  -8.072
  660    HA   VAL  86           HA       VAL  86  -4.535  -7.440 -10.857
  661    HB   VAL  86           HB       VAL  86  -6.770  -6.553 -10.059
  662   1HG1  VAL  86          HG13      VAL  86  -6.076  -9.031 -10.192
  663   2HG1  VAL  86          HG12      VAL  86  -5.845  -8.941  -8.446
  664   3HG1  VAL  86          HG11      VAL  86  -7.439  -8.649  -9.138
  665   1HG2  VAL  86          HG22      VAL  86  -5.750  -5.372  -8.071
  666   2HG2  VAL  86          HG21      VAL  86  -7.141  -6.380  -7.670
  667   3HG2  VAL  86          HG23      VAL  86  -5.509  -6.954  -7.330
  668    H    GLY  87           HN       GLY  87  -2.743  -5.198  -9.325
  669   1HA   GLY  87           HA2      GLY  87  -3.186  -3.208 -11.322
  670   2HA   GLY  87           HA1      GLY  87  -4.094  -2.744  -9.890
  671    H    GLU  88           HN       GLU  88  -2.030  -1.181 -10.897
  672    HA   GLU  88           HA       GLU  88  -0.390  -0.856  -8.551
  673   1HB   GLU  88           HB2      GLU  88   1.131  -2.478  -9.192
  674   2HB   GLU  88           HB1      GLU  88   0.669  -2.378 -10.885
  675   1HG   GLU  88           HG2      GLU  88   3.003  -1.623 -10.487
  676   2HG   GLU  88           HG1      GLU  88   2.007  -0.343 -11.165
  677    H    PHE  89           HN       PHE  89   0.648   1.196  -8.576
  678    HA   PHE  89           HA       PHE  89   0.979   2.715 -10.999
  679   1HB   PHE  89           HB2      PHE  89  -0.753   4.295 -10.913
  680   2HB   PHE  89           HB1      PHE  89  -1.566   2.769 -10.602
  681    HD1  PHE  89           HD1      PHE  89  -0.057   5.730  -8.891
  682    HD2  PHE  89           HD2      PHE  89  -2.857   2.489  -8.640
  683    HE1  PHE  89           HE1      PHE  89  -0.983   6.694  -6.799
  684    HE2  PHE  89           HE2      PHE  89  -3.782   3.445  -6.546
  685    HZ   PHE  89           HZ       PHE  89  -2.856   5.556  -5.632
  686    H    SER  90           HN       SER  90   1.940   4.828 -10.591
  687    HA   SER  90           HA       SER  90   2.957   5.157  -7.785
  688   1HB   SER  90           HB2      SER  90   5.087   5.932  -8.736
  689   2HB   SER  90           HB1      SER  90   4.746   4.278  -9.242
  690    HG   SER  90           HG       SER  90   5.386   6.053 -10.855
  691    H    GLY  91           HN       GLY  91   3.605   7.348  -7.258
  692   1HA   GLY  91           HA2      GLY  91   3.684   9.722  -8.116
  693   2HA   GLY  91           HA1      GLY  91   2.106   9.418  -8.841
  694    H    ALA  92           HN       ALA  92   3.063  11.304  -6.624
  695    HA   ALA  92           HA       ALA  92   1.749  10.346  -4.216
  696   1HB   ALA  92           HB2      ALA  92   2.753  13.065  -5.085
  697   2HB   ALA  92           HB1      ALA  92   2.019  12.773  -3.509
  698   3HB   ALA  92           HB3      ALA  92   3.517  11.952  -3.952
  699    H    ASN  93           HN       ASN  93  -0.244   9.824  -5.716
  700    HA   ASN  93           HA       ASN  93  -2.129  12.164  -5.644
  701   1HB   ASN  93           HB2      ASN  93  -1.570  11.238  -7.945
  702   2HB   ASN  93           HB1      ASN  93  -2.351   9.739  -7.437
  703   1HD2  ASN  93          HD22      ASN  93  -5.179  12.525  -6.939
  704   2HD2  ASN  93          HD21      ASN  93  -3.885  12.308  -5.866
  705    H    LYS  94           HN       LYS  94  -3.002  11.746  -3.596
  706    HA   LYS  94           HA       LYS  94  -3.663   9.104  -2.636
  707   1HB   LYS  94           HB2      LYS  94  -4.949  10.385  -0.920
  708   2HB   LYS  94           HB1      LYS  94  -3.263  10.862  -1.065
  709   1HG   LYS  94           HG2      LYS  94  -5.009  12.404  -2.877
  710   2HG   LYS  94           HG1      LYS  94  -5.491  12.589  -1.202
  711   1HD   LYS  94           HD2      LYS  94  -3.095  13.140  -0.654
  712   2HD   LYS  94           HD1      LYS  94  -2.758  13.124  -2.388
  713   1HE   LYS  94           HE2      LYS  94  -4.453  14.881  -2.730
  714   2HE   LYS  94           HE1      LYS  94  -4.793  14.889  -1.001
  715   1HZ   LYS  94           HZ2      LYS  94  -2.112  15.172  -1.080
  716   2HZ   LYS  94           HZ1      LYS  94  -2.596  16.064  -2.445
  717   3HZ   LYS  94           HZ3      LYS  94  -3.219  16.449  -0.915
  718    H    GLU  95           HN       GLU  95  -5.518  11.545  -4.423
  719    HA   GLU  95           HA       GLU  95  -8.112  10.421  -3.983
  720   1HB   GLU  95           HB2      GLU  95  -7.030  11.995  -6.341
  721   2HB   GLU  95           HB1      GLU  95  -8.737  11.699  -6.022
  722   1HG   GLU  95           HG2      GLU  95  -6.894  13.053  -4.042
  723   2HG   GLU  95           HG1      GLU  95  -7.882  13.940  -5.200
  724    H    LYS  96           HN       LYS  96  -5.509   9.654  -6.155
  725    HA   LYS  96           HA       LYS  96  -6.890   8.059  -8.052
  726   1HB   LYS  96           HB2      LYS  96  -4.517   8.886  -8.129
  727   2HB   LYS  96           HB1      LYS  96  -4.089   7.618  -6.996
  728   1HG   LYS  96           HG2      LYS  96  -4.557   5.895  -8.530
  729   2HG   LYS  96           HG1      LYS  96  -5.517   6.951  -9.568
  730   1HD   LYS  96           HD2      LYS  96  -3.438   8.251 -10.088
  731   2HD   LYS  96           HD1      LYS  96  -2.514   7.079  -9.160
  732   1HE   LYS  96           HE2      LYS  96  -3.331   5.275 -10.676
  733   2HE   LYS  96           HE1      LYS  96  -4.177   6.497 -11.628
  734   1HZ   LYS  96           HZ1      LYS  96  -1.278   6.671 -11.077
  735   2HZ   LYS  96           HZ3      LYS  96  -1.885   5.816 -12.410
  736   3HZ   LYS  96           HZ2      LYS  96  -2.176   7.484 -12.268
  737    H    LEU  97           HN       LEU  97  -5.638   7.326  -4.830
  738    HA   LEU  97           HA       LEU  97  -5.920   4.497  -4.896
  739   1HB   LEU  97           HB2      LEU  97  -6.284   6.501  -2.646
  740   2HB   LEU  97           HB1      LEU  97  -6.310   4.765  -2.391
  741    HG   LEU  97           HG       LEU  97  -3.995   6.152  -3.727
  742   1HD1  LEU  97          HD12      LEU  97  -4.419   5.574  -0.785
  743   2HD1  LEU  97          HD11      LEU  97  -2.889   6.091  -1.488
  744   3HD1  LEU  97          HD13      LEU  97  -4.288   7.163  -1.526
  745   1HD2  LEU  97          HD21      LEU  97  -4.649   3.406  -3.329
  746   2HD2  LEU  97          HD23      LEU  97  -3.105   4.061  -3.857
  747   3HD2  LEU  97          HD22      LEU  97  -3.396   3.761  -2.148
  748    H    GLU  98           HN       GLU  98  -8.167   7.099  -4.181
  749    HA   GLU  98           HA       GLU  98 -10.354   5.469  -3.303
  750   1HB   GLU  98           HB2      GLU  98 -10.225   7.931  -2.975
  751   2HB   GLU  98           HB1      GLU  98 -10.492   8.155  -4.703
  752   1HG   GLU  98           HG2      GLU  98 -12.669   6.953  -4.497
  753   2HG   GLU  98           HG1      GLU  98 -12.405   6.827  -2.758
  754    H    ALA  99           HN       ALA  99  -9.479   6.611  -6.557
  755    HA   ALA  99           HA       ALA  99 -11.867   5.599  -7.794
  756   1HB   ALA  99           HB1      ALA  99 -10.278   7.324  -8.757
  757   2HB   ALA  99           HB3      ALA  99  -9.184   5.993  -9.136
  758   3HB   ALA  99           HB2      ALA  99 -10.781   6.066  -9.883
  759    H    THR 100           HN       THR 100  -8.592   4.171  -7.495
  760    HA   THR 100           HA       THR 100  -9.257   1.844  -9.041
  761    HB   THR 100           HB       THR 100  -7.156   1.996  -6.858
  762    HG1  THR 100           HG1      THR 100  -6.106   3.290  -8.118
  763   1HG2  THR 100          HG22      THR 100  -7.541   0.314  -9.348
  764   2HG2  THR 100          HG21      THR 100  -6.011   0.401  -8.478
  765   3HG2  THR 100          HG23      THR 100  -7.444  -0.243  -7.678
  766    H    ILE 101           HN       ILE 101  -9.452   2.546  -5.577
  767    HA   ILE 101           HA       ILE 101 -10.104  -0.095  -4.677
  768    HB   ILE 101           HB       ILE 101 -10.877   2.647  -3.624
  769   1HG1  ILE 101          HG12      ILE 101  -8.966   0.635  -2.414
  770   2HG1  ILE 101          HG11      ILE 101  -8.428   1.793  -3.630
  771   1HG2  ILE 101          HG22      ILE 101 -11.415  -0.112  -2.509
  772   2HG2  ILE 101          HG21      ILE 101 -11.351   1.314  -1.474
  773   3HG2  ILE 101          HG23      ILE 101 -12.559   1.206  -2.755
  774   1HD1  ILE 101          HD13      ILE 101  -9.382   3.631  -2.157
  775   2HD1  ILE 101          HD12      ILE 101  -9.636   2.405  -0.918
  776   3HD1  ILE 101          HD11      ILE 101  -8.003   2.778  -1.468
  777    H    ASN 102           HN       ASN 102 -12.193   2.637  -5.613
  778    HA   ASN 102           HA       ASN 102 -14.682   1.271  -5.370
  779   1HB   ASN 102           HB2      ASN 102 -14.448   3.740  -5.671
  780   2HB   ASN 102           HB1      ASN 102 -13.922   3.470  -7.333
  781   1HD2  ASN 102          HD22      ASN 102 -17.822   3.691  -6.621
  782   2HD2  ASN 102          HD21      ASN 102 -16.616   4.287  -5.585
  783    H    GLU 103           HN       GLU 103 -12.328   1.475  -7.959
  784    HA   GLU 103           HA       GLU 103 -13.904   0.250 -10.001
  785   1HB   GLU 103           HB2      GLU 103 -11.749   1.580 -10.265
  786   2HB   GLU 103           HB1      GLU 103 -10.896   0.152  -9.697
  787   1HG   GLU 103           HG2      GLU 103 -12.799   0.024 -12.042
  788   2HG   GLU 103           HG1      GLU 103 -11.087   0.402 -12.239
  789    H    LEU 104           HN       LEU 104 -11.638  -1.112  -7.591
  790    HA   LEU 104           HA       LEU 104 -12.230  -3.849  -8.610
  791   1HB   LEU 104           HB2      LEU 104 -10.257  -2.922  -6.502
  792   2HB   LEU 104           HB1      LEU 104 -10.392  -4.562  -7.129
  793    HG   LEU 104           HG       LEU 104  -9.795  -2.165  -8.881
  794   1HD1  LEU 104          HD13      LEU 104  -8.029  -2.467  -7.177
  795   2HD1  LEU 104          HD12      LEU 104  -7.864  -4.155  -7.659
  796   3HD1  LEU 104          HD11      LEU 104  -7.445  -2.871  -8.789
  797   1HD2  LEU 104          HD21      LEU 104  -9.699  -5.173  -9.257
  798   2HD2  LEU 104          HD23      LEU 104 -10.597  -3.992 -10.209
  799   3HD2  LEU 104          HD22      LEU 104  -8.843  -4.068 -10.330
  800    H    VAL 105           HN       VAL 105 -13.498  -1.776  -6.230
  801    HA   VAL 105           HA       VAL 105 -13.747  -3.622  -4.051
  802    HB   VAL 105           HB       VAL 105 -14.250  -1.109  -3.979
  803   1HG1  VAL 105          HG12      VAL 105 -15.908  -1.376  -5.975
  804   2HG1  VAL 105          HG11      VAL 105 -17.054  -1.908  -4.745
  805   3HG1  VAL 105          HG13      VAL 105 -16.349  -0.295  -4.653
  806   1HG2  VAL 105          HG21      VAL 105 -16.118  -3.169  -2.783
  807   2HG2  VAL 105          HG23      VAL 105 -14.675  -2.473  -2.047
  808   3HG2  VAL 105          HG22      VAL 105 -16.109  -1.475  -2.286
  809    HA   PRO  59           HA       PRO 106  14.432  16.151 -13.185
  810   1HB   PRO  59           HB2      PRO 106  16.933  15.697 -11.606
  811   2HB   PRO  59           HB1      PRO 106  16.538  15.190 -13.257
  812   1HG   PRO  59           HG2      PRO 106  18.199  17.233 -12.778
  813   2HG   PRO  59           HG1      PRO 106  17.095  17.233 -14.164
  814   1HD   PRO  59           HD2      PRO 106  16.911  18.786 -11.614
  815   2HD   PRO  59           HD1      PRO 106  16.341  19.216 -13.243
  816    H    ALA  60           HN       ALA 107  15.102  17.159  -9.854
  817    HA   ALA  60           HA       ALA 107  14.026  14.624  -8.772
  818   1HB   ALA  60           HB3      ALA 107  15.004  17.176  -7.457
  819   2HB   ALA  60           HB2      ALA 107  14.338  15.815  -6.554
  820   3HB   ALA  60           HB1      ALA 107  15.819  15.610  -7.495
  821    H    THR  61           HN       THR 108  11.872  14.344  -8.440
  822    HA   THR  61           HA       THR 108  10.099  16.774  -8.371
  823    HB   THR  61           HB       THR 108   9.317  13.907  -8.984
  824    HG1  THR  61           HG1      THR 108  10.439  15.914 -10.528
  825   1HG2  THR  61          HG23      THR 108   7.573  15.598  -8.215
  826   2HG2  THR  61          HG22      THR 108   7.923  16.495  -9.690
  827   3HG2  THR  61          HG21      THR 108   7.276  14.858  -9.787
  828    H    LEU  62           HN       LEU 109   9.030  17.163  -6.478
  829    HA   LEU  62           HA       LEU 109   9.533  15.626  -4.118
  830   1HB   LEU  62           HB2      LEU 109   7.412  17.685  -4.770
  831   2HB   LEU  62           HB1      LEU 109   7.620  17.001  -3.163
  832    HG   LEU  62           HG       LEU 109   9.920  18.294  -4.645
  833   1HD1  LEU  62          HD11      LEU 109   8.063  19.924  -4.480
  834   2HD1  LEU  62          HD13      LEU 109   7.973  19.634  -2.744
  835   3HD1  LEU  62          HD12      LEU 109   9.414  20.377  -3.440
  836   1HD2  LEU  62          HD21      LEU 109   9.334  17.570  -1.757
  837   2HD2  LEU  62          HD23      LEU 109  10.697  17.061  -2.753
  838   3HD2  LEU  62          HD22      LEU 109  10.596  18.723  -2.184
  839    H    LYS  63           HN       LYS 110   7.013  15.515  -6.528
  840    HA   LYS  63           HA       LYS 110   5.061  14.008  -5.134
  841   1HB   LYS  63           HB2      LYS 110   5.828  13.978  -8.069
  842   2HB   LYS  63           HB1      LYS 110   4.362  13.245  -7.422
  843   1HG   LYS  63           HG2      LYS 110   5.006  16.152  -6.922
  844   2HG   LYS  63           HG1      LYS 110   4.187  15.642  -8.397
  845   1HD   LYS  63           HD2      LYS 110   2.466  14.495  -6.920
  846   2HD   LYS  63           HD1      LYS 110   3.216  15.308  -5.546
  847   1HE   LYS  63           HE2      LYS 110   2.103  16.705  -7.991
  848   2HE   LYS  63           HE1      LYS 110   1.297  16.599  -6.424
  849   1HZ   LYS  63           HZ3      LYS 110   3.778  17.502  -5.800
  850   2HZ   LYS  63           HZ2      LYS 110   3.453  18.304  -7.262
  851   3HZ   LYS  63           HZ1      LYS 110   2.390  18.466  -5.946
  852    H    ILE  64           HN       ILE 111   8.110  13.073  -6.545
  853    HA   ILE  64           HA       ILE 111   7.625  10.224  -5.701
  854    HB   ILE  64           HB       ILE 111   9.114  11.265  -8.134
  855   1HG1  ILE  64          HG12      ILE 111   6.702  11.175  -8.480
  856   2HG1  ILE  64          HG11      ILE 111   7.474   9.875  -9.383
  857   1HG2  ILE  64          HG22      ILE 111   9.008   8.526  -6.871
  858   2HG2  ILE  64          HG21      ILE 111   9.356   8.734  -8.588
  859   3HG2  ILE  64          HG23      ILE 111  10.420   9.451  -7.379
  860   1HD1  ILE  64          HD13      ILE 111   6.979   8.507  -7.129
  861   2HD1  ILE  64          HD12      ILE 111   5.713   9.724  -6.970
  862   3HD1  ILE  64          HD11      ILE 111   5.760   8.681  -8.389
  863    H    CYS  65           HN       CYS 112   9.348   9.260  -4.588
  864    HA   CYS  65           HA       CYS 112  11.681  11.016  -3.957
  865   1HB   CYS  65           HB2      CYS 112  11.041   8.409  -2.560
  866   2HB   CYS  65           HB1      CYS 112  12.027   9.740  -1.981
  867    H    SER  66           HN       SER 113  13.636  10.452  -4.902
  868    HA   SER  66           HA       SER 113  13.682   8.132  -6.689
  869   1HB   SER  66           HB2      SER 113  15.862  10.107  -5.954
  870   2HB   SER  66           HB1      SER 113  15.982   8.893  -7.225
  871    HG   SER  66           HG       SER 113  14.113   9.883  -8.167
  872    H    TRP  67           HN       TRP 114  14.814   6.232  -6.409
  873    HA   TRP  67           HA       TRP 114  15.459   5.455  -3.688
  874   1HB   TRP  67           HB2      TRP 114  15.773   4.031  -6.345
  875   2HB   TRP  67           HB1      TRP 114  16.171   3.295  -4.791
  876    HD1  TRP  67           HD1      TRP 114  13.159   5.334  -6.122
  877    HE1  TRP  67           HE1      TRP 114  11.004   4.177  -5.351
  878    HE3  TRP  67           HE3      TRP 114  15.122   1.360  -3.591
  879    HZ2  TRP  67           HZ2      TRP 114  10.220   1.903  -3.841
  880    HZ3  TRP  67           HZ3      TRP 114  13.642  -0.282  -2.494
  881    HH2  TRP  67           HH2      TRP 114  11.182  -0.013  -2.626
  882    H    ASN  68           HN       ASN 115  17.178   7.028  -6.154
  883    HA   ASN  68           HA       ASN 115  19.801   6.044  -5.963
  884   1HB   ASN  68           HB2      ASN 115  18.817   8.911  -6.199
  885   2HB   ASN  68           HB1      ASN 115  20.508   8.439  -6.392
  886   1HD2  ASN  68          HD22      ASN 115  18.591   6.267  -9.152
  887   2HD2  ASN  68          HD21      ASN 115  18.610   5.881  -7.499
  888    H    VAL  69           HN       VAL 116  17.858   7.346  -3.489
  889    HA   VAL  69           HA       VAL 116  19.794   8.642  -1.848
  890    HB   VAL  69           HB       VAL 116  18.224   7.993   0.042
  891   1HG1  VAL  69          HG13      VAL 116  17.980  10.044  -1.421
  892   2HG1  VAL  69          HG12      VAL 116  16.844   9.124  -2.407
  893   3HG1  VAL  69          HG11      VAL 116  16.472   9.467  -0.718
  894   1HG2  VAL  69          HG23      VAL 116  17.520   5.836  -1.159
  895   2HG2  VAL  69          HG22      VAL 116  16.213   6.788  -0.466
  896   3HG2  VAL  69          HG21      VAL 116  16.529   6.857  -2.196
  897    H    ASP  70           HN       ASP 117  21.248   7.852  -0.318
  898    HA   ASP  70           HA       ASP 117  22.387   5.278  -0.719
  899   1HB   ASP  70           HB2      ASP 117  22.577   7.212   1.606
  900   2HB   ASP  70           HB1      ASP 117  23.517   5.721   1.523
  901    H    GLY  71           HN       GLY 118  19.972   6.419   1.613
  902   1HA   GLY  71           HA2      GLY 118  18.782   3.847   1.903
  903   2HA   GLY  71           HA1      GLY 118  19.891   4.097   3.250
   
  No H/Q in entry =         903
  Start of MODEL   20
    1   1H    MET   1           HT1      MET   1  -8.835  -1.144   9.598
    2   2H    MET   1           HT3      MET   1  -9.518  -0.857  11.122
    3   3H    MET   1           HT2      MET   1  -8.953   0.445  10.189
    4    HA   MET   1           HA       MET   1  -7.194   0.223  11.603
    5   1HB   MET   1           HB2      MET   1  -8.274  -1.709  12.778
    6   2HB   MET   1           HB1      MET   1  -7.632  -2.779  11.531
    7   1HG   MET   1           HG2      MET   1  -6.095  -2.860  13.382
    8   2HG   MET   1           HG1      MET   1  -5.316  -1.910  12.122
    9   1HE   MET   1           HE3      MET   1  -7.536  -1.897  15.196
   10   2HE   MET   1           HE2      MET   1  -5.887  -2.075  15.792
   11   3HE   MET   1           HE1      MET   1  -6.820  -0.639  16.210
   12    H    VAL   2           HN       VAL   2  -5.048   0.158  10.931
   13    HA   VAL   2           HA       VAL   2  -4.561  -0.935   8.193
   14    HB   VAL   2           HB       VAL   2  -3.077   1.084   9.908
   15   1HG1  VAL   2          HG11      VAL   2  -2.345  -0.166   7.245
   16   2HG1  VAL   2          HG13      VAL   2  -1.680   1.373   7.791
   17   3HG1  VAL   2          HG12      VAL   2  -1.362  -0.098   8.709
   18   1HG2  VAL   2          HG22      VAL   2  -4.628   1.227   7.313
   19   2HG2  VAL   2          HG21      VAL   2  -5.064   1.972   8.851
   20   3HG2  VAL   2          HG23      VAL   2  -3.663   2.555   7.952
   21    H    LYS   3           HN       LYS   3  -2.377  -1.980   7.855
   22    HA   LYS   3           HA       LYS   3  -1.393  -3.420  10.295
   23   1HB   LYS   3           HB2      LYS   3  -2.898  -4.862   8.879
   24   2HB   LYS   3           HB1      LYS   3  -1.802  -4.601   7.527
   25   1HG   LYS   3           HG2      LYS   3  -1.053  -6.651   8.390
   26   2HG   LYS   3           HG1      LYS   3   0.044  -5.507   9.149
   27   1HD   LYS   3           HD2      LYS   3  -1.311  -5.517  11.192
   28   2HD   LYS   3           HD1      LYS   3  -2.479  -6.596  10.425
   29   1HE   LYS   3           HE2      LYS   3  -0.785  -8.328  10.195
   30   2HE   LYS   3           HE1      LYS   3   0.451  -7.248  10.838
   31   1HZ   LYS   3           HZ1      LYS   3  -1.947  -7.695  12.446
   32   2HZ   LYS   3           HZ3      LYS   3  -0.813  -8.952  12.360
   33   3HZ   LYS   3           HZ2      LYS   3  -0.344  -7.425  12.937
   34    H    GLN   4           HN       GLN   4   0.811  -3.262  10.479
   35    HA   GLN   4           HA       GLN   4   2.317  -2.110   8.170
   36   1HB   GLN   4           HB2      GLN   4   2.536  -1.018  10.394
   37   2HB   GLN   4           HB1      GLN   4   3.173  -2.525  11.053
   38   1HG   GLN   4           HG2      GLN   4   5.045  -2.441   9.425
   39   2HG   GLN   4           HG1      GLN   4   4.417  -0.914   8.801
   40   1HE2  GLN   4          HE22      GLN   4   6.859   0.260  11.218
   41   2HE2  GLN   4          HE21      GLN   4   6.758  -0.284   9.613
   42    H    ILE   5           HN       ILE   5   3.518  -3.440   6.946
   43    HA   ILE   5           HA       ILE   5   4.131  -6.195   7.939
   44    HB   ILE   5           HB       ILE   5   4.383  -5.097   5.126
   45   1HG1  ILE   5          HG12      ILE   5   2.061  -4.862   5.736
   46   2HG1  ILE   5          HG11      ILE   5   2.209  -6.299   4.727
   47   1HG2  ILE   5          HG21      ILE   5   4.363  -7.858   6.341
   48   2HG2  ILE   5          HG23      ILE   5   4.116  -7.564   4.628
   49   3HG2  ILE   5          HG22      ILE   5   5.636  -7.103   5.380
   50   1HD1  ILE   5          HD13      ILE   5   2.461  -7.592   6.972
   51   2HD1  ILE   5          HD12      ILE   5   1.795  -6.136   7.709
   52   3HD1  ILE   5          HD11      ILE   5   0.853  -7.028   6.516
   53    H    GLU   6           HN       GLU   6   6.177  -6.283   8.843
   54    HA   GLU   6           HA       GLU   6   8.265  -4.427   7.838
   55   1HB   GLU   6           HB2      GLU   6   8.282  -6.324  10.206
   56   2HB   GLU   6           HB1      GLU   6   9.532  -5.144   9.816
   57   1HG   GLU   6           HG2      GLU   6   8.235  -3.979  11.382
   58   2HG   GLU   6           HG1      GLU   6   7.581  -3.411   9.850
   59    H    SER   7           HN       SER   7   7.173  -7.467   7.062
   60    HA   SER   7           HA       SER   7   9.747  -8.107   5.770
   61   1HB   SER   7           HB2      SER   7   9.844 -10.398   6.686
   62   2HB   SER   7           HB1      SER   7  10.009  -9.193   7.965
   63    HG   SER   7           HG       SER   7   7.418  -9.848   7.418
   64    H    LYS   8           HN       LYS   8   9.544  -9.783   4.142
   65    HA   LYS   8           HA       LYS   8   7.048  -9.758   2.721
   66   1HB   LYS   8           HB2      LYS   8   9.363 -10.249   1.749
   67   2HB   LYS   8           HB1      LYS   8   9.202 -11.861   2.449
   68   1HG   LYS   8           HG2      LYS   8   6.922 -11.959   1.222
   69   2HG   LYS   8           HG1      LYS   8   7.527 -10.586   0.291
   70   1HD   LYS   8           HD2      LYS   8   8.903 -13.275   0.556
   71   2HD   LYS   8           HD1      LYS   8   8.012 -12.715  -0.858
   72   1HE   LYS   8           HE2      LYS   8   9.602 -10.719  -0.898
   73   2HE   LYS   8           HE1      LYS   8  10.577 -11.596   0.280
   74   1HZ   LYS   8           HZ2      LYS   8   9.890 -13.338  -1.807
   75   2HZ   LYS   8           HZ1      LYS   8  10.536 -11.920  -2.484
   76   3HZ   LYS   8           HZ3      LYS   8  11.433 -12.797  -1.343
   77    H    THR   9           HN       THR   9   8.480 -11.894   5.099
   78    HA   THR   9           HA       THR   9   6.810 -14.143   4.755
   79    HB   THR   9           HB       THR   9   7.840 -13.037   7.380
   80    HG1  THR   9           HG1      THR   9   9.610 -13.330   6.202
   81   1HG2  THR   9          HG22      THR   9   6.127 -14.855   7.548
   82   2HG2  THR   9          HG21      THR   9   7.169 -15.878   6.559
   83   3HG2  THR   9          HG23      THR   9   7.708 -15.345   8.151
   84    H    ALA  10           HN       ALA  10   6.318 -11.265   6.800
   85    HA   ALA  10           HA       ALA  10   3.687 -12.106   7.625
   86   1HB   ALA  10           HB3      ALA  10   5.206  -9.505   7.752
   87   2HB   ALA  10           HB2      ALA  10   3.494  -9.553   8.175
   88   3HB   ALA  10           HB1      ALA  10   4.655 -10.528   9.076
   89    H    PHE  11           HN       PHE  11   4.964 -10.372   4.868
   90    HA   PHE  11           HA       PHE  11   2.577  -9.125   3.936
   91   1HB   PHE  11           HB2      PHE  11   4.932  -8.856   2.981
   92   2HB   PHE  11           HB1      PHE  11   4.714 -10.408   2.199
   93    HD1  PHE  11           HD1      PHE  11   2.875  -7.159   2.614
   94    HD2  PHE  11           HD2      PHE  11   3.906 -10.420   0.012
   95    HE1  PHE  11           HE1      PHE  11   1.675  -6.055   0.751
   96    HE2  PHE  11           HE2      PHE  11   2.706  -9.313  -1.851
   97    HZ   PHE  11           HZ       PHE  11   1.588  -7.133  -1.485
   98    H    GLN  12           HN       GLN  12   3.901 -12.359   3.363
   99    HA   GLN  12           HA       GLN  12   1.815 -13.236   1.593
  100   1HB   GLN  12           HB2      GLN  12   3.619 -14.791   3.479
  101   2HB   GLN  12           HB1      GLN  12   2.630 -15.520   2.213
  102   1HG   GLN  12           HG2      GLN  12   4.787 -13.432   1.746
  103   2HG   GLN  12           HG1      GLN  12   4.991 -15.165   1.487
  104   1HE2  GLN  12          HE22      GLN  12   2.653 -15.160  -1.345
  105   2HE2  GLN  12          HE21      GLN  12   2.967 -16.077   0.048
  106    H    GLU  13           HN       GLU  13   2.264 -13.478   5.104
  107    HA   GLU  13           HA       GLU  13  -0.099 -14.992   5.659
  108   1HB   GLU  13           HB2      GLU  13   1.677 -13.173   7.274
  109   2HB   GLU  13           HB1      GLU  13   0.210 -13.818   7.988
  110   1HG   GLU  13           HG2      GLU  13   2.183 -15.242   8.471
  111   2HG   GLU  13           HG1      GLU  13   0.964 -16.106   7.538
  112    H    ALA  14           HN       ALA  14   0.464 -11.494   5.462
  113    HA   ALA  14           HA       ALA  14  -2.141 -10.744   6.394
  114   1HB   ALA  14           HB3      ALA  14  -0.101  -9.235   6.143
  115   2HB   ALA  14           HB2      ALA  14  -0.458  -9.192   4.417
  116   3HB   ALA  14           HB1      ALA  14  -1.626  -8.556   5.575
  117    H    LEU  15           HN       LEU  15  -0.844 -11.387   3.145
  118    HA   LEU  15           HA       LEU  15  -3.163 -10.640   1.684
  119   1HB   LEU  15           HB2      LEU  15  -1.060 -12.756   1.149
  120   2HB   LEU  15           HB1      LEU  15  -2.302 -12.304  -0.017
  121    HG   LEU  15           HG       LEU  15  -0.395 -10.308   1.226
  122   1HD1  LEU  15          HD13      LEU  15  -0.119 -12.019  -1.242
  123   2HD1  LEU  15          HD12      LEU  15   0.674 -10.448  -1.140
  124   3HD1  LEU  15          HD11      LEU  15   1.064 -11.706   0.026
  125   1HD2  LEU  15          HD23      LEU  15  -2.467 -10.216  -0.964
  126   2HD2  LEU  15          HD22      LEU  15  -2.156  -9.056   0.326
  127   3HD2  LEU  15          HD21      LEU  15  -1.069  -9.146  -1.055
  128    H    ASP  16           HN       ASP  16  -2.211 -13.653   3.272
  129    HA   ASP  16           HA       ASP  16  -4.503 -15.142   2.384
  130   1HB   ASP  16           HB2      ASP  16  -2.342 -16.133   3.237
  131   2HB   ASP  16           HB1      ASP  16  -2.856 -15.681   4.867
  132    H    ALA  17           HN       ALA  17  -3.853 -13.131   5.233
  133    HA   ALA  17           HA       ALA  17  -6.229 -13.908   6.668
  134   1HB   ALA  17           HB1      ALA  17  -4.223 -12.751   7.680
  135   2HB   ALA  17           HB3      ALA  17  -4.759 -11.270   6.886
  136   3HB   ALA  17           HB2      ALA  17  -5.773 -12.027   8.113
  137    H    ALA  18           HN       ALA  18  -5.562 -11.358   4.297
  138    HA   ALA  18           HA       ALA  18  -8.030  -9.941   4.605
  139   1HB   ALA  18           HB2      ALA  18  -6.198 -10.297   2.223
  140   2HB   ALA  18           HB1      ALA  18  -7.598  -9.225   2.212
  141   3HB   ALA  18           HB3      ALA  18  -6.264  -8.921   3.327
  142    H    GLY  19           HN       GLY  19  -7.172 -12.837   2.757
  143   1HA   GLY  19           HA2      GLY  19  -8.573 -14.465   1.804
  144   2HA   GLY  19           HA1      GLY  19  -9.917 -13.711   2.663
  145    H    ASP  20           HN       ASP  20 -11.471 -13.093   1.236
  146    HA   ASP  20           HA       ASP  20 -10.710 -12.410  -1.543
  147   1HB   ASP  20           HB2      ASP  20 -13.433 -12.688  -0.244
  148   2HB   ASP  20           HB1      ASP  20 -13.135 -12.453  -1.969
  149    H    LYS  21           HN       LYS  21 -10.763 -10.672   1.212
  150    HA   LYS  21           HA       LYS  21 -12.318  -8.359   0.348
  151   1HB   LYS  21           HB2      LYS  21 -10.258  -8.752   2.539
  152   2HB   LYS  21           HB1      LYS  21 -11.114  -7.235   2.272
  153   1HG   LYS  21           HG2      LYS  21 -13.277  -8.541   2.492
  154   2HG   LYS  21           HG1      LYS  21 -12.303  -9.908   3.038
  155   1HD   LYS  21           HD2      LYS  21 -11.373  -8.531   4.854
  156   2HD   LYS  21           HD1      LYS  21 -12.336  -7.157   4.310
  157   1HE   LYS  21           HE2      LYS  21 -13.561  -8.151   6.104
  158   2HE   LYS  21           HE1      LYS  21 -14.382  -8.638   4.620
  159   1HZ   LYS  21           HZ3      LYS  21 -12.269 -10.425   5.363
  160   2HZ   LYS  21           HZ2      LYS  21 -13.480 -10.319   6.552
  161   3HZ   LYS  21           HZ1      LYS  21 -13.881 -10.761   4.961
  162    H    LEU  22           HN       LEU  22 -11.418  -6.358  -0.456
  163    HA   LEU  22           HA       LEU  22  -9.232  -6.621  -2.246
  164   1HB   LEU  22           HB2      LEU  22 -11.203  -4.738  -1.791
  165   2HB   LEU  22           HB1      LEU  22  -9.783  -3.894  -1.200
  166    HG   LEU  22           HG       LEU  22 -10.182  -5.040  -3.966
  167   1HD1  LEU  22          HD11      LEU  22 -10.548  -2.374  -2.751
  168   2HD1  LEU  22          HD13      LEU  22  -9.504  -2.339  -4.170
  169   3HD1  LEU  22          HD12      LEU  22 -11.131  -3.003  -4.285
  170   1HD2  LEU  22          HD22      LEU  22  -7.737  -3.914  -2.602
  171   2HD2  LEU  22          HD21      LEU  22  -7.870  -5.377  -3.580
  172   3HD2  LEU  22          HD23      LEU  22  -7.928  -3.794  -4.345
  173    H    VAL  23           HN       VAL  23  -7.043  -5.593  -2.008
  174    HA   VAL  23           HA       VAL  23  -6.219  -4.971   0.778
  175    HB   VAL  23           HB       VAL  23  -4.838  -7.030  -0.973
  176   1HG1  VAL  23          HG12      VAL  23  -4.173  -5.742   1.671
  177   2HG1  VAL  23          HG11      VAL  23  -3.502  -7.309   1.221
  178   3HG1  VAL  23          HG13      VAL  23  -3.159  -5.884   0.239
  179   1HG2  VAL  23          HG22      VAL  23  -6.472  -7.266   1.565
  180   2HG2  VAL  23          HG21      VAL  23  -6.778  -8.046   0.012
  181   3HG2  VAL  23          HG23      VAL  23  -5.393  -8.535   0.985
  182    H    VAL  24           HN       VAL  24  -5.325  -2.964   0.519
  183    HA   VAL  24           HA       VAL  24  -3.798  -2.395  -1.985
  184    HB   VAL  24           HB       VAL  24  -4.710  -0.464   0.181
  185   1HG1  VAL  24          HG13      VAL  24  -2.781   0.214  -1.321
  186   2HG1  VAL  24          HG12      VAL  24  -3.888   0.068  -2.687
  187   3HG1  VAL  24          HG11      VAL  24  -4.198   1.260  -1.425
  188   1HG2  VAL  24          HG22      VAL  24  -6.003  -1.401  -2.384
  189   2HG2  VAL  24          HG21      VAL  24  -6.701  -1.356  -0.769
  190   3HG2  VAL  24          HG23      VAL  24  -6.417   0.146  -1.650
  191    H    VAL  25           HN       VAL  25  -1.577  -1.838  -1.861
  192    HA   VAL  25           HA       VAL  25  -0.315  -2.024   0.866
  193    HB   VAL  25           HB       VAL  25   0.860  -3.043  -1.739
  194   1HG1  VAL  25          HG12      VAL  25   2.402  -2.330   0.182
  195   2HG1  VAL  25          HG11      VAL  25   1.699  -3.658   1.101
  196   3HG1  VAL  25          HG13      VAL  25   2.588  -3.987  -0.385
  197   1HG2  VAL  25          HG22      VAL  25  -1.175  -4.314  -0.973
  198   2HG2  VAL  25          HG21      VAL  25   0.300  -5.272  -0.976
  199   3HG2  VAL  25          HG23      VAL  25  -0.335  -4.642   0.541
  200    H    ASP  26           HN       ASP  26   0.725  -0.181   1.381
  201    HA   ASP  26           HA       ASP  26   1.499   1.704  -0.809
  202   1HB   ASP  26           HB2      ASP  26   0.111   2.529   1.117
  203   2HB   ASP  26           HB1      ASP  26   1.477   2.195   2.181
  204    H    PHE  27           HN       PHE  27   3.579   1.708  -1.445
  205    HA   PHE  27           HA       PHE  27   5.683   0.563   0.325
  206   1HB   PHE  27           HB2      PHE  27   5.557   1.218  -2.623
  207   2HB   PHE  27           HB1      PHE  27   7.089   0.865  -1.821
  208    HD1  PHE  27           HD1      PHE  27   7.404  -1.336  -0.666
  209    HD2  PHE  27           HD2      PHE  27   4.001  -0.524  -3.157
  210    HE1  PHE  27           HE1      PHE  27   6.958  -3.766  -0.854
  211    HE2  PHE  27           HE2      PHE  27   3.556  -2.952  -3.336
  212    HZ   PHE  27           HZ       PHE  27   5.036  -4.577  -2.193
  213    H    SER  28           HN       SER  28   4.401   3.287   0.632
  214    HA   SER  28           HA       SER  28   6.185   5.322  -0.200
  215   1HB   SER  28           HB2      SER  28   4.536   5.216   2.337
  216   2HB   SER  28           HB1      SER  28   5.244   6.664   1.641
  217    HG   SER  28           HG       SER  28   2.916   5.897   1.129
  218    H    ALA  29           HN       ALA  29   7.946   6.279   0.747
  219    HA   ALA  29           HA       ALA  29   9.499   4.565   2.563
  220   1HB   ALA  29           HB2      ALA  29  10.029   6.982   0.861
  221   2HB   ALA  29           HB1      ALA  29  11.119   6.653   2.203
  222   3HB   ALA  29           HB3      ALA  29  10.906   5.456   0.926
  223    H    THR  30           HN       THR  30   9.410   4.855   4.722
  224    HA   THR  30           HA       THR  30   7.897   7.010   5.887
  225    HB   THR  30           HB       THR  30   8.160   4.831   7.016
  226    HG1  THR  30           HG1      THR  30   9.447   6.095   8.929
  227   1HG2  THR  30          HG23      THR  30  10.566   4.566   6.170
  228   2HG2  THR  30          HG22      THR  30  11.039   5.581   7.530
  229   3HG2  THR  30          HG21      THR  30  10.251   4.031   7.821
  230    H    TRP  31           HN       TRP  31  11.285   6.460   5.119
  231    HA   TRP  31           HA       TRP  31  12.313   8.707   6.649
  232   1HB   TRP  31           HB2      TRP  31  14.369   8.383   5.380
  233   2HB   TRP  31           HB1      TRP  31  13.737   6.825   5.909
  234    HD1  TRP  31           HD1      TRP  31  13.072   5.116   4.115
  235    HE1  TRP  31           HE1      TRP  31  13.216   5.056   1.545
  236    HE3  TRP  31           HE3      TRP  31  14.077  10.026   3.193
  237    HZ2  TRP  31           HZ2      TRP  31  13.654   6.875  -0.625
  238    HZ3  TRP  31           HZ3      TRP  31  14.331  10.842   0.871
  239    HH2  TRP  31           HH2      TRP  31  14.128   9.273  -1.036
  240    H    CYS  32           HN       CYS  32  10.855   8.400   3.463
  241    HA   CYS  32           HA       CYS  32  11.807  11.061   2.624
  242   1HB   CYS  32           HB2      CYS  32  11.286   9.046   1.061
  243   2HB   CYS  32           HB1      CYS  32   9.594   9.466   1.301
  244    H    GLY  33           HN       GLY  33  10.832  12.894   3.246
  245   1HA   GLY  33           HA2      GLY  33   8.560  12.911   4.979
  246   2HA   GLY  33           HA1      GLY  33   9.276  14.334   4.232
  247    HA   PRO  34           HA       PRO  34   6.137  14.828   1.160
  248   1HB   PRO  34           HB2      PRO  34   7.532  13.288  -0.978
  249   2HB   PRO  34           HB1      PRO  34   6.952  14.961  -0.992
  250   1HG   PRO  34           HG2      PRO  34   9.598  14.309  -0.794
  251   2HG   PRO  34           HG1      PRO  34   8.915  15.788  -0.099
  252   1HD   PRO  34           HD2      PRO  34   9.873  13.348   1.289
  253   2HD   PRO  34           HD1      PRO  34   9.667  14.992   1.935
  254    H    ALA  35           HN       ALA  35   7.462  11.550   1.237
  255    HA   ALA  35           HA       ALA  35   5.013  10.322   0.236
  256   1HB   ALA  35           HB1      ALA  35   7.498   9.465   0.136
  257   2HB   ALA  35           HB3      ALA  35   7.136   8.810   1.733
  258   3HB   ALA  35           HB2      ALA  35   6.184   8.312   0.335
  259    H    LYS  36           HN       LYS  36   6.661  10.437   3.403
  260    HA   LYS  36           HA       LYS  36   4.650   9.051   4.866
  261   1HB   LYS  36           HB2      LYS  36   6.954   9.617   5.713
  262   2HB   LYS  36           HB1      LYS  36   6.402  11.278   5.936
  263   1HG   LYS  36           HG2      LYS  36   4.561  10.426   7.394
  264   2HG   LYS  36           HG1      LYS  36   5.236   8.805   7.245
  265   1HD   LYS  36           HD2      LYS  36   7.383   9.658   8.189
  266   2HD   LYS  36           HD1      LYS  36   6.614  11.227   8.429
  267   1HE   LYS  36           HE2      LYS  36   4.947  10.219   9.914
  268   2HE   LYS  36           HE1      LYS  36   5.646   8.622   9.637
  269   1HZ   LYS  36           HZ2      LYS  36   7.733  10.280  10.374
  270   2HZ   LYS  36           HZ1      LYS  36   6.471  10.624  11.456
  271   3HZ   LYS  36           HZ3      LYS  36   7.039   9.034  11.295
  272    H    MET  37           HN       MET  37   5.017  12.476   4.066
  273    HA   MET  37           HA       MET  37   2.929  13.525   5.663
  274   1HB   MET  37           HB2      MET  37   4.603  14.854   4.312
  275   2HB   MET  37           HB1      MET  37   3.664  14.457   2.873
  276   1HG   MET  37           HG2      MET  37   1.642  15.459   4.037
  277   2HG   MET  37           HG1      MET  37   2.739  16.037   5.289
  278   1HE   MET  37           HE1      MET  37   4.675  17.305   5.005
  279   2HE   MET  37           HE3      MET  37   5.451  16.960   3.454
  280   3HE   MET  37           HE2      MET  37   4.920  18.597   3.830
  281    H    ILE  38           HN       ILE  38   2.831  11.694   2.683
  282    HA   ILE  38           HA       ILE  38   0.013  12.325   2.171
  283    HB   ILE  38           HB       ILE  38   1.840  10.296   0.845
  284   1HG1  ILE  38          HG12      ILE  38   0.948  12.982  -0.228
  285   2HG1  ILE  38          HG11      ILE  38   2.421  12.807   0.717
  286   1HG2  ILE  38          HG22      ILE  38  -0.980  11.215   0.321
  287   2HG2  ILE  38          HG21      ILE  38   0.039  10.722  -1.032
  288   3HG2  ILE  38          HG23      ILE  38  -0.313   9.583   0.266
  289   1HD1  ILE  38          HD13      ILE  38   3.169  11.043  -0.905
  290   2HD1  ILE  38          HD12      ILE  38   1.763  11.423  -1.888
  291   3HD1  ILE  38          HD11      ILE  38   3.010  12.643  -1.616
  292    H    LYS  39           HN       LYS  39   1.487  10.241   4.355
  293    HA   LYS  39           HA       LYS  39  -0.042   7.883   3.981
  294   1HB   LYS  39           HB2      LYS  39   0.638   7.135   6.093
  295   2HB   LYS  39           HB1      LYS  39   1.955   8.155   5.545
  296   1HG   LYS  39           HG2      LYS  39   1.429   9.877   7.068
  297   2HG   LYS  39           HG1      LYS  39  -0.215   9.309   7.329
  298   1HD   LYS  39           HD2      LYS  39   2.217   7.706   8.118
  299   2HD   LYS  39           HD1      LYS  39   1.431   8.847   9.205
  300   1HE   LYS  39           HE2      LYS  39  -0.127   7.279   9.744
  301   2HE   LYS  39           HE1      LYS  39  -0.596   7.121   8.053
  302   1HZ   LYS  39           HZ3      LYS  39   1.852   5.856   8.304
  303   2HZ   LYS  39           HZ2      LYS  39   0.934   5.360   9.646
  304   3HZ   LYS  39           HZ1      LYS  39   0.333   5.134   8.073
  305    HA   PRO  40           HA       PRO  40  -3.223   9.838   7.116
  306   1HB   PRO  40           HB2      PRO  40  -3.652  12.413   5.681
  307   2HB   PRO  40           HB1      PRO  40  -3.592  12.091   7.425
  308   1HG   PRO  40           HG2      PRO  40  -1.582  13.358   6.187
  309   2HG   PRO  40           HG1      PRO  40  -1.266  12.208   7.496
  310   1HD   PRO  40           HD2      PRO  40  -0.963  11.832   4.548
  311   2HD   PRO  40           HD1      PRO  40   0.079  11.224   5.856
  312    H    PHE  41           HN       PHE  41  -3.389  10.772   3.613
  313    HA   PHE  41           HA       PHE  41  -6.226  10.223   3.499
  314   1HB   PHE  41           HB2      PHE  41  -4.106  10.255   1.321
  315   2HB   PHE  41           HB1      PHE  41  -5.822  10.044   1.017
  316    HD1  PHE  41           HD2      PHE  41  -3.449  12.349   2.748
  317    HD2  PHE  41           HD1      PHE  41  -7.193  11.912   0.682
  318    HE1  PHE  41           HE2      PHE  41  -3.763  14.799   2.822
  319    HE2  PHE  41           HE1      PHE  41  -7.515  14.373   0.766
  320    HZ   PHE  41           HZ       PHE  41  -5.799  15.819   1.829
  321    H    PHE  42           HN       PHE  42  -3.316   8.335   2.715
  322    HA   PHE  42           HA       PHE  42  -4.625   5.951   1.881
  323   1HB   PHE  42           HB2      PHE  42  -2.247   6.330   1.509
  324   2HB   PHE  42           HB1      PHE  42  -1.947   6.385   3.250
  325    HD1  PHE  42           HD1      PHE  42  -3.177   4.174   0.503
  326    HD2  PHE  42           HD2      PHE  42  -1.583   4.406   4.489
  327    HE1  PHE  42           HE1      PHE  42  -2.959   1.700   0.566
  328    HE2  PHE  42           HE2      PHE  42  -1.357   1.940   4.543
  329    HZ   PHE  42           HZ       PHE  42  -2.048   0.586   2.583
  330    H    HIS  43           HN       HIS  43  -3.275   6.780   5.078
  331    HA   HIS  43           HA       HIS  43  -4.314   4.454   6.408
  332   1HB   HIS  43           HB2      HIS  43  -2.376   5.744   7.227
  333   2HB   HIS  43           HB1      HIS  43  -3.420   7.132   7.523
  334    HD1  HIS  43           HD1      HIS  43  -2.354   3.896   8.965
  335    HD2  HIS  43           HD2      HIS  43  -5.276   6.760   9.692
  336    HE1  HIS  43           HE1      HIS  43  -3.338   3.340  11.234
  337    H    SER  44           HN       SER  44  -5.542   7.787   6.096
  338    HA   SER  44           HA       SER  44  -7.716   7.539   7.916
  339   1HB   SER  44           HB2      SER  44  -7.523   9.257   5.426
  340   2HB   SER  44           HB1      SER  44  -8.736   9.434   6.687
  341    HG   SER  44           HG       SER  44  -6.911  10.821   6.974
  342    H    LEU  45           HN       LEU  45  -7.492   6.743   4.468
  343    HA   LEU  45           HA       LEU  45 -10.252   6.232   4.020
  344   1HB   LEU  45           HB2      LEU  45  -7.765   5.121   2.743
  345   2HB   LEU  45           HB1      LEU  45  -9.371   4.712   2.166
  346    HG   LEU  45           HG       LEU  45  -8.531   7.600   2.500
  347   1HD1  LEU  45          HD12      LEU  45  -7.991   5.715   0.198
  348   2HD1  LEU  45          HD11      LEU  45  -8.089   7.461  -0.033
  349   3HD1  LEU  45          HD13      LEU  45  -6.852   6.779   1.024
  350   1HD2  LEU  45          HD22      LEU  45 -10.660   6.130   0.931
  351   2HD2  LEU  45          HD21      LEU  45 -10.877   7.379   2.151
  352   3HD2  LEU  45          HD23      LEU  45 -10.215   7.793   0.576
  353    H    SER  46           HN       SER  46  -7.866   4.341   5.704
  354    HA   SER  46           HA       SER  46  -8.902   1.747   5.384
  355   1HB   SER  46           HB2      SER  46  -7.852   2.990   7.941
  356   2HB   SER  46           HB1      SER  46  -7.996   1.266   7.621
  357    HG   SER  46           HG       SER  46  -6.597   1.669   5.774
  358    H    GLU  47           HN       GLU  47 -10.016   4.419   7.378
  359    HA   GLU  47           HA       GLU  47 -12.168   2.769   8.553
  360   1HB   GLU  47           HB2      GLU  47 -11.401   5.697   8.807
  361   2HB   GLU  47           HB1      GLU  47 -12.807   4.995   9.602
  362   1HG   GLU  47           HG2      GLU  47 -11.043   4.946  11.211
  363   2HG   GLU  47           HG1      GLU  47 -11.222   3.290  10.632
  364    H    LYS  48           HN       LYS  48 -11.649   4.711   5.746
  365    HA   LYS  48           HA       LYS  48 -14.472   5.471   5.466
  366   1HB   LYS  48           HB2      LYS  48 -12.608   6.804   4.397
  367   2HB   LYS  48           HB1      LYS  48 -12.336   5.436   3.312
  368   1HG   LYS  48           HG2      LYS  48 -14.702   5.569   2.571
  369   2HG   LYS  48           HG1      LYS  48 -14.929   6.982   3.602
  370   1HD   LYS  48           HD2      LYS  48 -13.079   8.113   2.347
  371   2HD   LYS  48           HD1      LYS  48 -13.046   6.737   1.247
  372   1HE   LYS  48           HE2      LYS  48 -15.278   7.164   0.496
  373   2HE   LYS  48           HE1      LYS  48 -15.559   8.324   1.796
  374   1HZ   LYS  48           HZ3      LYS  48 -13.325   9.244   0.520
  375   2HZ   LYS  48           HZ2      LYS  48 -14.330   8.721  -0.746
  376   3HZ   LYS  48           HZ1      LYS  48 -14.895   9.870   0.370
  377    H    TYR  49           HN       TYR  49 -12.254   2.995   4.378
  378    HA   TYR  49           HA       TYR  49 -14.580   1.383   3.356
  379   1HB   TYR  49           HB2      TYR  49 -11.728   1.458   2.293
  380   2HB   TYR  49           HB1      TYR  49 -12.985   0.350   1.748
  381    HD1  TYR  49           HD2      TYR  49 -15.226   1.443   0.958
  382    HD2  TYR  49           HD1      TYR  49 -11.482   3.535   1.206
  383    HE1  TYR  49           HE2      TYR  49 -16.076   3.153  -0.620
  384    HE2  TYR  49           HE1      TYR  49 -12.337   5.239  -0.376
  385    HH   TYR  49           HH       TYR  49 -15.232   4.807  -2.166
  386    H    SER  50           HN       SER  50 -14.403   0.898   5.795
  387    HA   SER  50           HA       SER  50 -12.187  -0.581   6.830
  388   1HB   SER  50           HB2      SER  50 -13.637  -1.101   8.668
  389   2HB   SER  50           HB1      SER  50 -14.034   0.527   8.156
  390    HG   SER  50           HG       SER  50 -15.978  -0.227   7.953
  391    H    ASN  51           HN       ASN  51 -14.432  -1.372   4.472
  392    HA   ASN  51           HA       ASN  51 -14.458  -4.270   5.046
  393   1HB   ASN  51           HB2      ASN  51 -16.452  -3.031   4.080
  394   2HB   ASN  51           HB1      ASN  51 -15.515  -2.837   2.600
  395   1HD2  ASN  51          HD22      ASN  51 -16.223  -6.092   1.477
  396   2HD2  ASN  51          HD21      ASN  51 -15.658  -4.532   1.117
  397    H    VAL  52           HN       VAL  52 -12.216  -2.245   4.003
  398    HA   VAL  52           HA       VAL  52 -11.006  -4.212   2.110
  399    HB   VAL  52           HB       VAL  52 -10.984  -1.181   1.996
  400   1HG1  VAL  52          HG13      VAL  52  -9.054  -3.197   0.875
  401   2HG1  VAL  52          HG12      VAL  52  -9.443  -1.775  -0.093
  402   3HG1  VAL  52          HG11      VAL  52  -8.740  -1.585   1.510
  403   1HG2  VAL  52          HG21      VAL  52 -11.785  -3.376   0.057
  404   2HG2  VAL  52          HG23      VAL  52 -12.861  -2.220   0.845
  405   3HG2  VAL  52          HG22      VAL  52 -11.708  -1.667  -0.369
  406    H    ILE  53           HN       ILE  53  -8.766  -4.601   2.501
  407    HA   ILE  53           HA       ILE  53  -7.841  -3.647   5.187
  408    HB   ILE  53           HB       ILE  53  -6.621  -5.804   3.436
  409   1HG1  ILE  53          HG12      ILE  53  -8.913  -6.483   3.851
  410   2HG1  ILE  53          HG11      ILE  53  -7.875  -7.396   4.944
  411   1HG2  ILE  53          HG23      ILE  53  -5.465  -4.646   5.549
  412   2HG2  ILE  53          HG22      ILE  53  -6.498  -5.754   6.444
  413   3HG2  ILE  53          HG21      ILE  53  -5.331  -6.380   5.280
  414   1HD1  ILE  53          HD12      ILE  53  -8.343  -5.522   6.663
  415   2HD1  ILE  53          HD11      ILE  53  -9.660  -5.047   5.591
  416   3HD1  ILE  53          HD13      ILE  53  -9.652  -6.653   6.320
  417    H    PHE  54           HN       PHE  54  -6.365  -2.004   5.236
  418    HA   PHE  54           HA       PHE  54  -4.759  -1.412   2.773
  419   1HB   PHE  54           HB2      PHE  54  -5.397   0.260   5.223
  420   2HB   PHE  54           HB1      PHE  54  -4.304   0.774   3.942
  421    HD1  PHE  54           HD1      PHE  54  -7.799  -0.456   4.502
  422    HD2  PHE  54           HD2      PHE  54  -5.169   1.911   2.059
  423    HE1  PHE  54           HE1      PHE  54  -9.750   0.404   3.230
  424    HE2  PHE  54           HE2      PHE  54  -7.124   2.755   0.778
  425    HZ   PHE  54           HZ       PHE  54  -9.407   1.999   1.364
  426    H    LEU  55           HN       LEU  55  -2.609  -1.968   2.800
  427    HA   LEU  55           HA       LEU  55  -1.290  -2.504   5.447
  428   1HB   LEU  55           HB2      LEU  55  -0.688  -3.598   2.682
  429   2HB   LEU  55           HB1      LEU  55   0.410  -3.791   4.047
  430    HG   LEU  55           HG       LEU  55  -1.295  -5.035   5.281
  431   1HD1  LEU  55          HD12      LEU  55  -3.045  -4.192   2.992
  432   2HD1  LEU  55          HD11      LEU  55  -3.388  -5.701   3.843
  433   3HD1  LEU  55          HD13      LEU  55  -3.369  -4.185   4.724
  434   1HD2  LEU  55          HD22      LEU  55  -0.727  -5.925   2.450
  435   2HD2  LEU  55          HD21      LEU  55   0.024  -6.477   3.944
  436   3HD2  LEU  55          HD23      LEU  55  -1.630  -6.952   3.559
  437    H    GLU  56           HN       GLU  56   0.630  -1.502   5.922
  438    HA   GLU  56           HA       GLU  56   1.566   0.618   4.012
  439   1HB   GLU  56           HB2      GLU  56   0.734   1.333   6.320
  440   2HB   GLU  56           HB1      GLU  56   2.104   0.452   6.998
  441   1HG   GLU  56           HG2      GLU  56   3.629   1.830   5.561
  442   2HG   GLU  56           HG1      GLU  56   2.229   2.775   5.052
  443    H    VAL  57           HN       VAL  57   3.650   0.357   3.224
  444    HA   VAL  57           HA       VAL  57   5.377  -1.724   4.545
  445    HB   VAL  57           HB       VAL  57   5.010  -1.297   1.569
  446   1HG1  VAL  57          HG13      VAL  57   6.551  -3.349   3.179
  447   2HG1  VAL  57          HG12      VAL  57   6.310  -3.415   1.434
  448   3HG1  VAL  57          HG11      VAL  57   7.243  -2.098   2.144
  449   1HG2  VAL  57          HG21      VAL  57   3.954  -3.374   3.498
  450   2HG2  VAL  57          HG23      VAL  57   3.020  -2.290   2.468
  451   3HG2  VAL  57          HG22      VAL  57   3.961  -3.594   1.747
  452    H    ASP  58           HN       ASP  58   7.455  -1.124   4.859
  453    HA   ASP  58           HA       ASP  58   8.353   1.560   3.947
  454   1HB   ASP  58           HB2      ASP  58   8.491   0.813   6.363
  455   2HB   ASP  58           HB1      ASP  58   9.690  -0.373   5.837
  456    H    VAL  59           HN       VAL  59   9.629   1.634   2.128
  457    HA   VAL  59           HA       VAL  59  10.707  -0.785   0.952
  458    HB   VAL  59           HB       VAL  59  11.942   0.792  -0.543
  459   1HG1  VAL  59          HG12      VAL  59   9.016   1.351  -0.002
  460   2HG1  VAL  59          HG11      VAL  59   9.867   1.955  -1.424
  461   3HG1  VAL  59          HG13      VAL  59   9.689   0.219  -1.173
  462   1HG2  VAL  59          HG23      VAL  59  12.375   2.542   1.181
  463   2HG2  VAL  59          HG22      VAL  59  11.628   3.205  -0.272
  464   3HG2  VAL  59          HG21      VAL  59  10.657   2.936   1.175
  465    H    ASP  60           HN       ASP  60  11.760   1.377   3.423
  466    HA   ASP  60           HA       ASP  60  14.597   0.544   3.164
  467   1HB   ASP  60           HB2      ASP  60  13.106   2.546   4.839
  468   2HB   ASP  60           HB1      ASP  60  14.735   2.067   5.278
  469    H    ASP  61           HN       ASP  61  11.943   0.168   5.571
  470    HA   ASP  61           HA       ASP  61  13.700  -1.699   7.100
  471   1HB   ASP  61           HB2      ASP  61  10.865  -0.766   7.687
  472   2HB   ASP  61           HB1      ASP  61  11.880  -1.727   8.752
  473    H    ALA  62           HN       ALA  62  11.138  -1.674   4.796
  474    HA   ALA  62           HA       ALA  62  10.825  -4.645   5.045
  475   1HB   ALA  62           HB3      ALA  62   8.797  -2.946   5.386
  476   2HB   ALA  62           HB2      ALA  62   8.784  -2.966   3.626
  477   3HB   ALA  62           HB1      ALA  62   8.564  -4.466   4.523
  478    H    GLN  63           HN       GLN  63  12.940  -3.362   3.670
  479    HA   GLN  63           HA       GLN  63  12.497  -2.926   0.906
  480   1HB   GLN  63           HB2      GLN  63  14.881  -3.189   0.634
  481   2HB   GLN  63           HB1      GLN  63  14.608  -2.392   2.183
  482   1HG   GLN  63           HG2      GLN  63  14.726  -4.678   3.267
  483   2HG   GLN  63           HG1      GLN  63  15.276  -5.307   1.713
  484   1HE2  GLN  63          HE22      GLN  63  18.234  -2.988   1.964
  485   2HE2  GLN  63          HE21      GLN  63  16.908  -3.073   0.908
  486    H    ASP  64           HN       ASP  64  12.584  -5.877   2.727
  487    HA   ASP  64           HA       ASP  64  13.272  -7.651   0.601
  488   1HB   ASP  64           HB2      ASP  64  12.026  -9.364   2.003
  489   2HB   ASP  64           HB1      ASP  64  13.303  -8.497   2.848
  490    H    VAL  65           HN       VAL  65  10.199  -6.252   1.677
  491    HA   VAL  65           HA       VAL  65   8.580  -7.757  -0.192
  492    HB   VAL  65           HB       VAL  65   7.923  -5.030   0.956
  493   1HG1  VAL  65          HG12      VAL  65   6.452  -6.055  -0.803
  494   2HG1  VAL  65          HG11      VAL  65   6.165  -7.405   0.294
  495   3HG1  VAL  65          HG13      VAL  65   5.636  -5.782   0.737
  496   1HG2  VAL  65          HG22      VAL  65   7.979  -7.725   2.287
  497   2HG2  VAL  65          HG21      VAL  65   8.492  -6.166   2.919
  498   3HG2  VAL  65          HG23      VAL  65   6.776  -6.536   2.774
  499    H    ALA  66           HN       ALA  66   9.961  -4.488  -0.177
  500    HA   ALA  66           HA       ALA  66   8.834  -3.732  -2.702
  501   1HB   ALA  66           HB2      ALA  66   9.853  -2.281  -0.767
  502   2HB   ALA  66           HB1      ALA  66  11.362  -2.489  -1.657
  503   3HB   ALA  66           HB3      ALA  66   9.972  -1.730  -2.435
  504    H    SER  67           HN       SER  67  12.014  -5.086  -1.819
  505    HA   SER  67           HA       SER  67  13.176  -4.797  -4.418
  506   1HB   SER  67           HB2      SER  67  14.773  -6.499  -3.694
  507   2HB   SER  67           HB1      SER  67  14.463  -5.387  -2.361
  508    HG   SER  67           HG       SER  67  12.630  -7.287  -2.257
  509    H    GLU  68           HN       GLU  68  11.038  -7.191  -3.013
  510    HA   GLU  68           HA       GLU  68  11.267  -9.190  -5.051
  511   1HB   GLU  68           HB2      GLU  68  10.183  -9.527  -2.824
  512   2HB   GLU  68           HB1      GLU  68   8.846  -8.504  -3.349
  513   1HG   GLU  68           HG2      GLU  68   8.466 -10.079  -5.265
  514   2HG   GLU  68           HG1      GLU  68   9.711 -11.131  -4.592
  515    H    ALA  69           HN       ALA  69   9.211  -6.323  -4.695
  516    HA   ALA  69           HA       ALA  69   7.897  -6.831  -7.283
  517   1HB   ALA  69           HB2      ALA  69   6.623  -5.871  -5.366
  518   2HB   ALA  69           HB1      ALA  69   7.661  -4.447  -5.428
  519   3HB   ALA  69           HB3      ALA  69   6.599  -4.824  -6.785
  520    H    GLU  70           HN       GLU  70  10.844  -5.633  -6.420
  521    HA   GLU  70           HA       GLU  70  12.395  -4.225  -7.482
  522   1HB   GLU  70           HB2      GLU  70  10.574  -4.675  -9.868
  523   2HB   GLU  70           HB1      GLU  70  12.212  -4.035  -9.932
  524   1HG   GLU  70           HG2      GLU  70  11.482  -6.764  -8.851
  525   2HG   GLU  70           HG1      GLU  70  12.100  -6.452 -10.472
  526    H    VAL  71           HN       VAL  71  10.620  -2.751  -5.989
  527    HA   VAL  71           HA       VAL  71   9.130  -0.851  -7.521
  528    HB   VAL  71           HB       VAL  71  10.442  -0.347  -4.833
  529   1HG1  VAL  71          HG12      VAL  71   8.031   0.803  -6.283
  530   2HG1  VAL  71          HG11      VAL  71   8.412   1.138  -4.597
  531   3HG1  VAL  71          HG13      VAL  71   9.522   1.652  -5.870
  532   1HG2  VAL  71          HG21      VAL  71   7.860  -1.756  -5.597
  533   2HG2  VAL  71          HG23      VAL  71   9.185  -2.401  -4.629
  534   3HG2  VAL  71          HG22      VAL  71   8.157  -1.126  -3.978
  535    H    LYS  72           HN       LYS  72   9.778   0.871  -8.651
  536    HA   LYS  72           HA       LYS  72  12.669   1.549  -8.662
  537   1HB   LYS  72           HB2      LYS  72  10.481   2.030 -10.691
  538   2HB   LYS  72           HB1      LYS  72  12.155   2.536 -10.892
  539   1HG   LYS  72           HG2      LYS  72  11.350  -0.357 -10.393
  540   2HG   LYS  72           HG1      LYS  72  11.556   0.324 -12.007
  541   1HD   LYS  72           HD2      LYS  72  13.910   1.062 -11.179
  542   2HD   LYS  72           HD1      LYS  72  13.649  -0.086  -9.868
  543   1HE   LYS  72           HE2      LYS  72  13.565  -0.725 -12.825
  544   2HE   LYS  72           HE1      LYS  72  14.844  -1.174 -11.697
  545   1HZ   LYS  72           HZ3      LYS  72  13.054  -2.332 -10.388
  546   2HZ   LYS  72           HZ2      LYS  72  12.037  -2.113 -11.731
  547   3HZ   LYS  72           HZ1      LYS  72  13.453  -3.040 -11.876
  548    H    ALA  73           HN       ALA  73   9.689   2.737  -7.551
  549    HA   ALA  73           HA       ALA  73  10.945   5.246  -6.780
  550   1HB   ALA  73           HB1      ALA  73   9.072   5.128  -9.088
  551   2HB   ALA  73           HB3      ALA  73   8.914   6.493  -7.987
  552   3HB   ALA  73           HB2      ALA  73  10.443   6.202  -8.812
  553    H    THR  74           HN       THR  74   9.718   6.429  -5.238
  554    HA   THR  74           HA       THR  74   7.237   5.084  -4.225
  555    HB   THR  74           HB       THR  74   7.963   5.538  -1.941
  556    HG1  THR  74           HG1      THR  74   9.803   7.133  -3.286
  557   1HG2  THR  74          HG21      THR  74  10.304   4.495  -3.520
  558   2HG2  THR  74          HG23      THR  74  10.053   4.272  -1.794
  559   3HG2  THR  74          HG22      THR  74   8.947   3.529  -2.951
  560    HA   PRO  75           HA       PRO  75   5.844   5.740  -2.455
  561   1HB   PRO  75           HB2      PRO  75   3.257   6.711  -2.490
  562   2HB   PRO  75           HB1      PRO  75   4.483   7.187  -1.308
  563   1HG   PRO  75           HG2      PRO  75   3.393   8.727  -3.592
  564   2HG   PRO  75           HG1      PRO  75   4.166   9.310  -2.110
  565   1HD   PRO  75           HD2      PRO  75   5.363   9.133  -4.702
  566   2HD   PRO  75           HD1      PRO  75   6.201   9.505  -3.170
  567    H    THR  76           HN       THR  76   4.833   3.870  -3.128
  568    HA   THR  76           HA       THR  76   3.435   3.912  -5.775
  569    HB   THR  76           HB       THR  76   5.384   1.779  -4.853
  570    HG1  THR  76           HG1      THR  76   5.945   4.025  -5.862
  571   1HG2  THR  76          HG21      THR  76   3.596   2.080  -7.262
  572   2HG2  THR  76          HG23      THR  76   4.990   1.001  -7.259
  573   3HG2  THR  76          HG22      THR  76   3.662   0.731  -6.129
  574    H    PHE  77           HN       PHE  77   1.547   2.869  -5.738
  575    HA   PHE  77           HA       PHE  77   0.824   1.356  -3.250
  576   1HB   PHE  77           HB2      PHE  77  -0.952   2.815  -5.231
  577   2HB   PHE  77           HB1      PHE  77  -1.477   2.038  -3.735
  578    HD1  PHE  77           HD1      PHE  77  -0.843   2.989  -1.521
  579    HD2  PHE  77           HD2      PHE  77   0.246   4.914  -5.205
  580    HE1  PHE  77           HE1      PHE  77  -0.316   5.071  -0.281
  581    HE2  PHE  77           HE2      PHE  77   0.773   6.995  -3.965
  582    HZ   PHE  77           HZ       PHE  77   0.494   7.077  -1.504
  583    H    GLN  78           HN       GLN  78   0.270  -0.789  -3.525
  584    HA   GLN  78           HA       GLN  78  -0.218  -1.759  -6.328
  585   1HB   GLN  78           HB2      GLN  78   1.328  -3.074  -4.087
  586   2HB   GLN  78           HB1      GLN  78   0.823  -3.919  -5.551
  587   1HG   GLN  78           HG2      GLN  78   2.046  -2.178  -6.897
  588   2HG   GLN  78           HG1      GLN  78   2.670  -1.516  -5.384
  589   1HE2  GLN  78          HE22      GLN  78   5.386  -3.761  -5.872
  590   2HE2  GLN  78          HE21      GLN  78   4.895  -2.138  -5.905
  591    H    PHE  79           HN       PHE  79  -1.895  -3.193  -6.589
  592    HA   PHE  79           HA       PHE  79  -3.649  -3.572  -4.184
  593   1HB   PHE  79           HB2      PHE  79  -4.291  -3.540  -7.140
  594   2HB   PHE  79           HB1      PHE  79  -5.462  -3.858  -5.854
  595    HD1  PHE  79           HD2      PHE  79  -3.025  -1.353  -7.133
  596    HD2  PHE  79           HD1      PHE  79  -6.375  -2.084  -4.565
  597    HE1  PHE  79           HE2      PHE  79  -3.224   1.081  -6.704
  598    HE2  PHE  79           HE1      PHE  79  -6.577   0.344  -4.127
  599    HZ   PHE  79           HZ       PHE  79  -5.004   1.928  -5.194
  600    H    PHE  80           HN       PHE  80  -4.098  -5.533  -3.461
  601    HA   PHE  80           HA       PHE  80  -3.462  -7.908  -5.153
  602   1HB   PHE  80           HB2      PHE  80  -2.939  -7.490  -2.210
  603   2HB   PHE  80           HB1      PHE  80  -2.901  -9.074  -2.980
  604    HD1  PHE  80           HD2      PHE  80  -1.292  -5.727  -2.845
  605    HD2  PHE  80           HD1      PHE  80  -1.110  -9.722  -4.425
  606    HE1  PHE  80           HE2      PHE  80   1.048  -5.340  -3.576
  607    HE2  PHE  80           HE1      PHE  80   1.227  -9.326  -5.156
  608    HZ   PHE  80           HZ       PHE  80   2.304  -7.136  -4.729
  609    H    LYS  81           HN       LYS  81  -4.951  -9.630  -5.013
  610    HA   LYS  81           HA       LYS  81  -7.166  -9.379  -3.057
  611   1HB   LYS  81           HB2      LYS  81  -7.741  -8.101  -5.243
  612   2HB   LYS  81           HB1      LYS  81  -7.828  -9.695  -5.997
  613   1HG   LYS  81           HG2      LYS  81  -9.448 -10.380  -4.206
  614   2HG   LYS  81           HG1      LYS  81  -9.436  -8.722  -3.623
  615   1HD   LYS  81           HD2      LYS  81 -10.004  -8.229  -6.217
  616   2HD   LYS  81           HD1      LYS  81 -10.673  -9.856  -6.105
  617   1HE   LYS  81           HE2      LYS  81 -12.528  -8.645  -5.428
  618   2HE   LYS  81           HE1      LYS  81 -11.751  -8.838  -3.857
  619   1HZ   LYS  81           HZ1      LYS  81 -11.282  -6.526  -5.653
  620   2HZ   LYS  81           HZ3      LYS  81 -12.418  -6.529  -4.395
  621   3HZ   LYS  81           HZ2      LYS  81 -10.766  -6.708  -4.046
  622    H    LYS  82           HN       LYS  82  -7.679 -11.400  -2.363
  623    HA   LYS  82           HA       LYS  82  -7.534 -13.730  -2.138
  624   1HB   LYS  82           HB2      LYS  82  -7.622 -13.618  -5.183
  625   2HB   LYS  82           HB1      LYS  82  -7.811 -15.076  -4.216
  626   1HG   LYS  82           HG2      LYS  82  -9.749 -13.927  -3.049
  627   2HG   LYS  82           HG1      LYS  82  -9.638 -12.672  -4.280
  628   1HD   LYS  82           HD2      LYS  82  -9.916 -14.408  -6.043
  629   2HD   LYS  82           HD1      LYS  82 -10.130 -15.621  -4.779
  630   1HE   LYS  82           HE2      LYS  82 -12.328 -14.920  -5.488
  631   2HE   LYS  82           HE1      LYS  82 -12.041 -14.230  -3.892
  632   1HZ   LYS  82           HZ1      LYS  82 -11.240 -12.656  -6.219
  633   2HZ   LYS  82           HZ3      LYS  82 -12.898 -12.774  -5.886
  634   3HZ   LYS  82           HZ2      LYS  82 -11.843 -12.142  -4.715
  635    H    GLY  83           HN       GLY  83  -5.121 -11.991  -2.432
  636   1HA   GLY  83           HA2      GLY  83  -2.821 -12.428  -2.259
  637   2HA   GLY  83           HA1      GLY  83  -3.155 -14.125  -2.598
  638    H    GLN  84           HN       GLN  84  -4.482 -11.869  -4.839
  639    HA   GLN  84           HA       GLN  84  -2.296 -12.484  -6.795
  640   1HB   GLN  84           HB2      GLN  84  -5.237 -11.990  -7.366
  641   2HB   GLN  84           HB1      GLN  84  -4.001 -12.342  -8.565
  642   1HG   GLN  84           HG2      GLN  84  -4.789 -14.221  -6.323
  643   2HG   GLN  84           HG1      GLN  84  -5.376 -14.334  -7.980
  644   1HE2  GLN  84          HE22      GLN  84  -1.459 -15.270  -7.195
  645   2HE2  GLN  84          HE21      GLN  84  -2.314 -14.257  -6.132
  646    H    LYS  85           HN       LYS  85  -1.378 -10.751  -7.872
  647    HA   LYS  85           HA       LYS  85  -2.101  -8.040  -6.976
  648   1HB   LYS  85           HB2      LYS  85   0.256  -8.728  -7.399
  649   2HB   LYS  85           HB1      LYS  85  -0.135  -8.942  -9.104
  650   1HG   LYS  85           HG2      LYS  85  -0.799  -6.564  -9.236
  651   2HG   LYS  85           HG1      LYS  85  -0.360  -6.358  -7.541
  652   1HD   LYS  85           HD2      LYS  85   1.957  -7.037  -8.063
  653   2HD   LYS  85           HD1      LYS  85   1.514  -7.215  -9.762
  654   1HE   LYS  85           HE2      LYS  85   1.219  -4.650  -8.189
  655   2HE   LYS  85           HE1      LYS  85   2.584  -5.007  -9.250
  656   1HZ   LYS  85           HZ1      LYS  85   0.356  -5.578 -10.739
  657   2HZ   LYS  85           HZ3      LYS  85  -0.049  -4.147  -9.923
  658   3HZ   LYS  85           HZ2      LYS  85   1.345  -4.206 -10.893
  659    H    VAL  86           HN       VAL  86  -3.674  -6.879  -7.940
  660    HA   VAL  86           HA       VAL  86  -4.385  -7.486 -10.793
  661    HB   VAL  86           HB       VAL  86  -6.706  -6.774 -10.122
  662   1HG1  VAL  86          HG13      VAL  86  -5.857  -9.193 -10.193
  663   2HG1  VAL  86          HG12      VAL  86  -5.689  -9.084  -8.441
  664   3HG1  VAL  86          HG11      VAL  86  -7.277  -8.908  -9.189
  665   1HG2  VAL  86          HG22      VAL  86  -5.865  -5.521  -8.069
  666   2HG2  VAL  86          HG21      VAL  86  -7.252  -6.571  -7.781
  667   3HG2  VAL  86          HG23      VAL  86  -5.636  -7.091  -7.303
  668    H    GLY  87           HN       GLY  87  -2.755  -5.195  -9.184
  669   1HA   GLY  87           HA2      GLY  87  -3.264  -3.173 -11.145
  670   2HA   GLY  87           HA1      GLY  87  -4.180  -2.776  -9.696
  671    H    GLU  88           HN       GLU  88  -2.007  -1.243 -10.814
  672    HA   GLU  88           HA       GLU  88  -0.425  -0.850  -8.414
  673   1HB   GLU  88           HB2      GLU  88   1.086  -2.496  -9.009
  674   2HB   GLU  88           HB1      GLU  88   0.641  -2.422 -10.704
  675   1HG   GLU  88           HG2      GLU  88   2.982  -1.698 -10.277
  676   2HG   GLU  88           HG1      GLU  88   2.016  -0.428 -11.021
  677    H    PHE  89           HN       PHE  89   0.645   1.178  -8.452
  678    HA   PHE  89           HA       PHE  89   1.040   2.654 -10.889
  679   1HB   PHE  89           HB2      PHE  89  -0.622   4.315 -10.797
  680   2HB   PHE  89           HB1      PHE  89  -1.490   2.811 -10.539
  681    HD1  PHE  89           HD1      PHE  89   0.043   5.710  -8.742
  682    HD2  PHE  89           HD2      PHE  89  -2.792   2.492  -8.586
  683    HE1  PHE  89           HE1      PHE  89  -0.905   6.653  -6.649
  684    HE2  PHE  89           HE2      PHE  89  -3.737   3.423  -6.486
  685    HZ   PHE  89           HZ       PHE  89  -2.814   5.519  -5.528
  686    H    SER  90           HN       SER  90   1.968   4.800 -10.490
  687    HA   SER  90           HA       SER  90   3.002   5.135  -7.693
  688   1HB   SER  90           HB2      SER  90   5.124   5.918  -8.654
  689   2HB   SER  90           HB1      SER  90   4.790   4.257  -9.154
  690    HG   SER  90           HG       SER  90   5.315   5.333 -10.997
  691    H    GLY  91           HN       GLY  91   3.665   7.353  -7.225
  692   1HA   GLY  91           HA2      GLY  91   3.666   9.719  -8.091
  693   2HA   GLY  91           HA1      GLY  91   2.109   9.369  -8.828
  694    H    ALA  92           HN       ALA  92   2.999  11.283  -6.637
  695    HA   ALA  92           HA       ALA  92   1.644  10.298  -4.244
  696   1HB   ALA  92           HB2      ALA  92   2.992  12.840  -5.103
  697   2HB   ALA  92           HB1      ALA  92   1.964  12.864  -3.671
  698   3HB   ALA  92           HB3      ALA  92   3.363  11.789  -3.737
  699    H    ASN  93           HN       ASN  93  -0.368   9.860  -5.739
  700    HA   ASN  93           HA       ASN  93  -2.147  12.274  -5.666
  701   1HB   ASN  93           HB2      ASN  93  -1.687  11.484  -7.987
  702   2HB   ASN  93           HB1      ASN  93  -2.381   9.918  -7.553
  703   1HD2  ASN  93          HD22      ASN  93  -4.829  13.026  -8.366
  704   2HD2  ASN  93          HD21      ASN  93  -3.144  13.157  -8.510
  705    H    LYS  94           HN       LYS  94  -3.084  11.911  -3.681
  706    HA   LYS  94           HA       LYS  94  -3.794   9.323  -2.661
  707   1HB   LYS  94           HB2      LYS  94  -5.135  10.667  -1.030
  708   2HB   LYS  94           HB1      LYS  94  -3.446  11.134  -1.133
  709   1HG   LYS  94           HG2      LYS  94  -5.217  12.602  -3.014
  710   2HG   LYS  94           HG1      LYS  94  -5.601  12.887  -1.323
  711   1HD   LYS  94           HD2      LYS  94  -3.151  13.409  -0.950
  712   2HD   LYS  94           HD1      LYS  94  -2.941  13.344  -2.703
  713   1HE   LYS  94           HE2      LYS  94  -4.679  15.075  -2.960
  714   2HE   LYS  94           HE1      LYS  94  -4.849  15.146  -1.204
  715   1HZ   LYS  94           HZ3      LYS  94  -2.143  15.385  -1.776
  716   2HZ   LYS  94           HZ2      LYS  94  -2.948  16.429  -2.848
  717   3HZ   LYS  94           HZ1      LYS  94  -3.178  16.584  -1.171
  718    H    GLU  95           HN       GLU  95  -5.629  11.676  -4.601
  719    HA   GLU  95           HA       GLU  95  -8.195  10.471  -4.168
  720   1HB   GLU  95           HB2      GLU  95  -7.180  12.043  -6.562
  721   2HB   GLU  95           HB1      GLU  95  -8.870  11.686  -6.214
  722   1HG   GLU  95           HG2      GLU  95  -7.056  13.182  -4.306
  723   2HG   GLU  95           HG1      GLU  95  -8.131  13.976  -5.455
  724    H    LYS  96           HN       LYS  96  -5.515   9.696  -6.242
  725    HA   LYS  96           HA       LYS  96  -6.809   8.057  -8.175
  726   1HB   LYS  96           HB2      LYS  96  -4.415   8.895  -8.154
  727   2HB   LYS  96           HB1      LYS  96  -4.052   7.635  -6.999
  728   1HG   LYS  96           HG2      LYS  96  -4.418   5.915  -8.546
  729   2HG   LYS  96           HG1      LYS  96  -5.361   6.946  -9.621
  730   1HD   LYS  96           HD2      LYS  96  -2.480   7.682  -9.081
  731   2HD   LYS  96           HD1      LYS  96  -2.827   6.358 -10.203
  732   1HE   LYS  96           HE2      LYS  96  -4.314   7.867 -11.504
  733   2HE   LYS  96           HE1      LYS  96  -3.914   9.185 -10.406
  734   1HZ   LYS  96           HZ3      LYS  96  -1.937   7.687 -12.043
  735   2HZ   LYS  96           HZ2      LYS  96  -2.576   9.211 -12.443
  736   3HZ   LYS  96           HZ1      LYS  96  -1.616   9.027 -11.053
  737    H    LEU  97           HN       LEU  97  -5.671   7.438  -4.911
  738    HA   LEU  97           HA       LEU  97  -5.913   4.603  -4.874
  739   1HB   LEU  97           HB2      LEU  97  -6.327   6.708  -2.733
  740   2HB   LEU  97           HB1      LEU  97  -6.380   4.988  -2.390
  741    HG   LEU  97           HG       LEU  97  -4.014   6.349  -3.697
  742   1HD1  LEU  97          HD13      LEU  97  -4.415   7.277  -1.444
  743   2HD1  LEU  97          HD12      LEU  97  -4.469   5.646  -0.779
  744   3HD1  LEU  97          HD11      LEU  97  -2.966   6.269  -1.457
  745   1HD2  LEU  97          HD23      LEU  97  -4.564   3.593  -2.563
  746   2HD2  LEU  97          HD22      LEU  97  -3.856   4.015  -4.119
  747   3HD2  LEU  97          HD21      LEU  97  -2.927   4.220  -2.649
  748    H    GLU  98           HN       GLU  98  -8.216   7.186  -4.373
  749    HA   GLU  98           HA       GLU  98 -10.395   5.578  -3.464
  750   1HB   GLU  98           HB2      GLU  98 -10.280   8.068  -3.301
  751   2HB   GLU  98           HB1      GLU  98 -10.552   8.164  -5.039
  752   1HG   GLU  98           HG2      GLU  98 -12.674   8.476  -3.877
  753   2HG   GLU  98           HG1      GLU  98 -12.708   6.936  -4.733
  754    H    ALA  99           HN       ALA  99  -9.545   6.597  -6.781
  755    HA   ALA  99           HA       ALA  99 -11.889   5.405  -7.947
  756   1HB   ALA  99           HB3      ALA  99  -9.210   6.075  -9.191
  757   2HB   ALA  99           HB2      ALA  99 -10.639   5.588 -10.102
  758   3HB   ALA  99           HB1      ALA  99 -10.652   7.091  -9.180
  759    H    THR 100           HN       THR 100  -8.568   4.138  -7.564
  760    HA   THR 100           HA       THR 100  -9.090   1.725  -9.010
  761    HB   THR 100           HB       THR 100  -7.104   2.025  -6.746
  762    HG1  THR 100           HG1      THR 100  -7.146   2.970  -9.386
  763   1HG2  THR 100          HG22      THR 100  -7.297   0.271  -9.209
  764   2HG2  THR 100          HG21      THR 100  -5.833   0.420  -8.240
  765   3HG2  THR 100          HG23      THR 100  -7.300  -0.249  -7.525
  766    H    ILE 101           HN       ILE 101  -9.425   2.528  -5.571
  767    HA   ILE 101           HA       ILE 101 -10.067  -0.103  -4.628
  768    HB   ILE 101           HB       ILE 101 -10.903   2.659  -3.673
  769   1HG1  ILE 101          HG12      ILE 101  -9.054   0.700  -2.295
  770   2HG1  ILE 101          HG11      ILE 101  -8.442   1.750  -3.571
  771   1HG2  ILE 101          HG23      ILE 101 -11.472  -0.074  -2.506
  772   2HG2  ILE 101          HG22      ILE 101 -11.479   1.390  -1.524
  773   3HG2  ILE 101          HG21      ILE 101 -12.615   1.222  -2.861
  774   1HD1  ILE 101          HD11      ILE 101  -9.395   3.715  -2.272
  775   2HD1  ILE 101          HD13      ILE 101  -9.727   2.588  -0.956
  776   3HD1  ILE 101          HD12      ILE 101  -8.066   2.877  -1.474
  777    H    ASN 102           HN       ASN 102 -12.143   2.570  -5.730
  778    HA   ASN 102           HA       ASN 102 -14.628   1.187  -5.565
  779   1HB   ASN 102           HB2      ASN 102 -14.420   3.644  -5.898
  780   2HB   ASN 102           HB1      ASN 102 -13.769   3.360  -7.512
  781   1HD2  ASN 102          HD22      ASN 102 -17.734   3.464  -7.032
  782   2HD2  ASN 102          HD21      ASN 102 -16.629   4.009  -5.864
  783    H    GLU 103           HN       GLU 103 -12.116   1.318  -8.012
  784    HA   GLU 103           HA       GLU 103 -13.563   0.003 -10.106
  785   1HB   GLU 103           HB2      GLU 103 -11.384   1.348 -10.265
  786   2HB   GLU 103           HB1      GLU 103 -10.572  -0.085  -9.644
  787   1HG   GLU 103           HG2      GLU 103 -12.349  -0.160 -12.095
  788   2HG   GLU 103           HG1      GLU 103 -10.609   0.106 -12.176
  789    H    LEU 104           HN       LEU 104 -11.432  -1.203  -7.500
  790    HA   LEU 104           HA       LEU 104 -11.947  -4.004  -8.381
  791   1HB   LEU 104           HB2      LEU 104 -10.033  -2.874  -6.333
  792   2HB   LEU 104           HB1      LEU 104 -10.186  -4.584  -6.706
  793    HG   LEU 104           HG       LEU 104  -9.468  -2.449  -8.740
  794   1HD1  LEU 104          HD11      LEU 104  -7.737  -4.322  -7.106
  795   2HD1  LEU 104          HD13      LEU 104  -7.160  -3.459  -8.532
  796   3HD1  LEU 104          HD12      LEU 104  -7.693  -2.559  -7.112
  797   1HD2  LEU 104          HD21      LEU 104  -9.660  -5.470  -8.789
  798   2HD2  LEU 104          HD23      LEU 104 -10.304  -4.309  -9.949
  799   3HD2  LEU 104          HD22      LEU 104  -8.574  -4.630  -9.895
  800    H    VAL 105           HN       VAL 105 -13.434  -1.844  -6.297
  801    HA   VAL 105           HA       VAL 105 -13.777  -3.493  -3.963
  802    HB   VAL 105           HB       VAL 105 -14.355  -1.004  -4.166
  803   1HG1  VAL 105          HG11      VAL 105 -15.806  -1.533  -6.286
  804   2HG1  VAL 105          HG13      VAL 105 -17.060  -1.940  -5.118
  805   3HG1  VAL 105          HG12      VAL 105 -16.375  -0.315  -5.149
  806   1HG2  VAL 105          HG22      VAL 105 -16.442  -2.886  -3.024
  807   2HG2  VAL 105          HG21      VAL 105 -14.967  -2.373  -2.205
  808   3HG2  VAL 105          HG23      VAL 105 -16.230  -1.196  -2.566
  809    HA   PRO  59           HA       PRO 106  14.658  16.239 -13.423
  810   1HB   PRO  59           HB2      PRO 106  17.085  16.232 -11.660
  811   2HB   PRO  59           HB1      PRO 106  16.877  15.572 -13.296
  812   1HG   PRO  59           HG2      PRO 106  18.210  17.836 -12.899
  813   2HG   PRO  59           HG1      PRO 106  17.146  17.637 -14.306
  814   1HD   PRO  59           HD2      PRO 106  16.670  19.206 -11.793
  815   2HD   PRO  59           HD1      PRO 106  16.155  19.560 -13.457
  816    H    ALA  60           HN       ALA 107  15.016  17.467 -10.128
  817    HA   ALA  60           HA       ALA 107  14.111  14.860  -9.003
  818   1HB   ALA  60           HB1      ALA 107  16.018  16.161  -7.966
  819   2HB   ALA  60           HB3      ALA 107  14.847  17.403  -7.523
  820   3HB   ALA  60           HB2      ALA 107  14.705  15.779  -6.851
  821    H    THR  61           HN       THR 108  11.991  14.548  -8.581
  822    HA   THR  61           HA       THR 108  10.176  16.937  -8.428
  823    HB   THR  61           HB       THR 108   9.452  14.079  -9.145
  824    HG1  THR  61           HG1      THR 108  10.271  16.290 -10.675
  825   1HG2  THR  61          HG21      THR 108   7.608  15.483  -8.286
  826   2HG2  THR  61          HG23      THR 108   7.990  16.711  -9.488
  827   3HG2  THR  61          HG22      THR 108   7.397  15.132 -10.001
  828    H    LEU  62           HN       LEU 109   9.109  17.255  -6.533
  829    HA   LEU  62           HA       LEU 109   9.668  15.633  -4.225
  830   1HB   LEU  62           HB2      LEU 109   7.631  17.823  -4.722
  831   2HB   LEU  62           HB1      LEU 109   7.858  17.062  -3.148
  832    HG   LEU  62           HG       LEU 109  10.065  18.447  -4.715
  833   1HD1  LEU  62          HD13      LEU 109   8.260  19.414  -2.487
  834   2HD1  LEU  62          HD12      LEU 109   9.809  20.176  -2.847
  835   3HD1  LEU  62          HD11      LEU 109   8.534  20.153  -4.065
  836   1HD2  LEU  62          HD22      LEU 109   9.928  17.006  -2.077
  837   2HD2  LEU  62          HD21      LEU 109  11.228  17.044  -3.267
  838   3HD2  LEU  62          HD23      LEU 109  10.977  18.416  -2.193
  839    H    LYS  63           HN       LYS 110   7.081  15.617  -6.589
  840    HA   LYS  63           HA       LYS 110   5.115  14.156  -5.146
  841   1HB   LYS  63           HB2      LYS 110   5.791  14.024  -8.105
  842   2HB   LYS  63           HB1      LYS 110   4.297  13.436  -7.383
  843   1HG   LYS  63           HG2      LYS 110   5.257  16.312  -7.273
  844   2HG   LYS  63           HG1      LYS 110   4.037  15.700  -8.386
  845   1HD   LYS  63           HD2      LYS 110   2.805  14.890  -6.232
  846   2HD   LYS  63           HD1      LYS 110   3.864  16.021  -5.390
  847   1HE   LYS  63           HE2      LYS 110   3.091  17.848  -6.856
  848   2HE   LYS  63           HE1      LYS 110   2.009  16.726  -7.679
  849   1HZ   LYS  63           HZ1      LYS 110   1.828  16.865  -4.772
  850   2HZ   LYS  63           HZ3      LYS 110   1.234  18.194  -5.640
  851   3HZ   LYS  63           HZ2      LYS 110   0.600  16.644  -5.926
  852    H    ILE  64           HN       ILE 111   8.115  13.131  -6.594
  853    HA   ILE  64           HA       ILE 111   7.590  10.310  -5.678
  854    HB   ILE  64           HB       ILE 111   9.106  11.222  -8.147
  855   1HG1  ILE  64          HG12      ILE 111   6.672  11.208  -8.456
  856   2HG1  ILE  64          HG11      ILE 111   7.418   9.900  -9.365
  857   1HG2  ILE  64          HG21      ILE 111   8.820   8.512  -6.839
  858   2HG2  ILE  64          HG23      ILE 111   9.287   8.709  -8.528
  859   3HG2  ILE  64          HG22      ILE 111  10.309   9.363  -7.252
  860   1HD1  ILE  64          HD11      ILE 111   6.912   8.527  -7.122
  861   2HD1  ILE  64          HD13      ILE 111   5.681   9.770  -6.936
  862   3HD1  ILE  64          HD12      ILE 111   5.693   8.738  -8.366
  863    H    CYS  65           HN       CYS 112   9.328   9.373  -4.529
  864    HA   CYS  65           HA       CYS 112  11.659  11.160  -3.980
  865   1HB   CYS  65           HB2      CYS 112  10.975   8.563  -2.571
  866   2HB   CYS  65           HB1      CYS 112  12.111   9.793  -2.046
  867    H    SER  66           HN       SER 113  13.589  10.649  -4.985
  868    HA   SER  66           HA       SER 113  13.674   8.359  -6.787
  869   1HB   SER  66           HB2      SER 113  15.822  10.344  -5.987
  870   2HB   SER  66           HB1      SER 113  15.971   9.164  -7.287
  871    HG   SER  66           HG       SER 113  15.158  11.455  -7.702
  872    H    TRP  67           HN       TRP 114  14.777   6.421  -6.522
  873    HA   TRP  67           HA       TRP 114  15.520   5.636  -3.818
  874   1HB   TRP  67           HB2      TRP 114  15.738   4.232  -6.499
  875   2HB   TRP  67           HB1      TRP 114  16.238   3.488  -4.979
  876    HD1  TRP  67           HD1      TRP 114  13.117   5.472  -6.098
  877    HE1  TRP  67           HE1      TRP 114  11.032   4.231  -5.242
  878    HE3  TRP  67           HE3      TRP 114  15.317   1.496  -3.801
  879    HZ2  TRP  67           HZ2      TRP 114  10.403   1.892  -3.747
  880    HZ3  TRP  67           HZ3      TRP 114  13.963  -0.216  -2.666
  881    HH2  TRP  67           HH2      TRP 114  11.500  -0.033  -2.652
  882    H    ASN  68           HN       ASN 115  17.128   7.251  -6.322
  883    HA   ASN  68           HA       ASN 115  19.766   6.287  -6.263
  884   1HB   ASN  68           HB2      ASN 115  18.751   9.148  -6.384
  885   2HB   ASN  68           HB1      ASN 115  20.439   8.700  -6.650
  886   1HD2  ASN  68          HD22      ASN 115  18.418   6.603  -9.394
  887   2HD2  ASN  68          HD21      ASN 115  18.477   6.179  -7.751
  888    H    VAL  69           HN       VAL 116  17.927   7.542  -3.693
  889    HA   VAL  69           HA       VAL 116  19.905   8.860  -2.149
  890    HB   VAL  69           HB       VAL 116  18.447   8.125  -0.183
  891   1HG1  VAL  69          HG11      VAL 116  17.172   9.413  -2.619
  892   2HG1  VAL  69          HG13      VAL 116  16.529   9.512  -0.978
  893   3HG1  VAL  69          HG12      VAL 116  18.089  10.240  -1.360
  894   1HG2  VAL  69          HG23      VAL 116  17.708   6.004  -1.505
  895   2HG2  VAL  69          HG22      VAL 116  16.470   6.873  -0.605
  896   3HG2  VAL  69          HG21      VAL 116  16.601   7.086  -2.347
  897    H    ASP  70           HN       ASP 117  21.545   8.133  -0.853
  898    HA   ASP  70           HA       ASP 117  22.642   5.536  -1.234
  899   1HB   ASP  70           HB2      ASP 117  23.084   7.605   0.935
  900   2HB   ASP  70           HB1      ASP 117  24.009   6.106   0.844
  901    H    GLY  71           HN       GLY 118  20.572   6.846   1.338
  902   1HA   GLY  71           HA2      GLY 118  19.514   4.219   1.942
  903   2HA   GLY  71           HA1      GLY 118  20.631   4.766   3.194
   
  No H/Q in entry =         903
  Start of MODEL   21
    1   1H    MET   1           HT3      MET   1  -9.120  -1.083   9.119
    2   2H    MET   1           HT2      MET   1  -9.213  -2.775   9.234
    3   3H    MET   1           HT1      MET   1  -9.997  -1.798  10.382
    4    HA   MET   1           HA       MET   1  -7.932  -1.036  11.273
    5   1HB   MET   1           HB2      MET   1  -7.933  -4.037  10.802
    6   2HB   MET   1           HB1      MET   1  -7.009  -3.203  12.053
    7   1HG   MET   1           HG2      MET   1 -10.024  -3.070  11.786
    8   2HG   MET   1           HG1      MET   1  -9.176  -4.143  12.898
    9   1HE   MET   1           HE2      MET   1  -7.422  -3.477  14.337
   10   2HE   MET   1           HE1      MET   1  -7.364  -2.013  15.313
   11   3HE   MET   1           HE3      MET   1  -8.671  -3.183  15.543
   12    H    VAL   2           HN       VAL   2  -5.718  -0.656  10.968
   13    HA   VAL   2           HA       VAL   2  -4.673  -1.294   8.237
   14    HB   VAL   2           HB       VAL   2  -3.771   0.704  10.338
   15   1HG1  VAL   2          HG13      VAL   2  -2.631  -0.059   7.641
   16   2HG1  VAL   2          HG12      VAL   2  -2.321   1.512   8.376
   17   3HG1  VAL   2          HG11      VAL   2  -1.789   0.040   9.188
   18   1HG2  VAL   2          HG21      VAL   2  -5.199   0.904   7.682
   19   2HG2  VAL   2          HG23      VAL   2  -5.779   1.440   9.257
   20   3HG2  VAL   2          HG22      VAL   2  -4.452   2.293   8.467
   21    H    LYS   3           HN       LYS   3  -2.621  -2.287   7.978
   22    HA   LYS   3           HA       LYS   3  -1.391  -3.471  10.445
   23   1HB   LYS   3           HB2      LYS   3  -2.797  -5.127   9.164
   24   2HB   LYS   3           HB1      LYS   3  -1.774  -4.847   7.761
   25   1HG   LYS   3           HG2      LYS   3  -0.767  -6.744   8.687
   26   2HG   LYS   3           HG1      LYS   3   0.192  -5.462   9.417
   27   1HD   LYS   3           HD2      LYS   3  -1.186  -5.553  11.447
   28   2HD   LYS   3           HD1      LYS   3  -2.206  -6.786  10.710
   29   1HE   LYS   3           HE2      LYS   3  -0.333  -8.337  10.599
   30   2HE   LYS   3           HE1      LYS   3   0.768  -7.098  11.203
   31   1HZ   LYS   3           HZ2      LYS   3  -1.547  -7.516  12.861
   32   2HZ   LYS   3           HZ1      LYS   3  -0.548  -8.885  12.738
   33   3HZ   LYS   3           HZ3      LYS   3   0.092  -7.414  13.293
   34    H    GLN   4           HN       GLN   4   0.786  -3.091  10.531
   35    HA   GLN   4           HA       GLN   4   2.117  -1.929   8.129
   36   1HB   GLN   4           HB2      GLN   4   2.434  -0.760  10.313
   37   2HB   GLN   4           HB1      GLN   4   3.146  -2.232  10.979
   38   1HG   GLN   4           HG2      GLN   4   4.966  -2.145   9.356
   39   2HG   GLN   4           HG1      GLN   4   4.228  -0.756   8.554
   40   1HE2  GLN   4          HE22      GLN   4   6.450   1.122  10.634
   41   2HE2  GLN   4          HE21      GLN   4   6.212   0.521   9.064
   42    H    ILE   5           HN       ILE   5   3.370  -3.248   6.905
   43    HA   ILE   5           HA       ILE   5   4.000  -5.972   7.949
   44    HB   ILE   5           HB       ILE   5   4.262  -4.852   5.153
   45   1HG1  ILE   5          HG12      ILE   5   1.914  -4.787   5.739
   46   2HG1  ILE   5          HG11      ILE   5   2.182  -6.188   4.708
   47   1HG2  ILE   5          HG22      ILE   5   4.449  -7.613   6.354
   48   2HG2  ILE   5          HG21      ILE   5   4.177  -7.338   4.638
   49   3HG2  ILE   5          HG23      ILE   5   5.654  -6.751   5.395
   50   1HD1  ILE   5          HD12      ILE   5   2.494  -7.478   6.969
   51   2HD1  ILE   5          HD11      ILE   5   1.632  -6.103   7.659
   52   3HD1  ILE   5          HD13      ILE   5   0.869  -7.085   6.414
   53    H    GLU   6           HN       GLU   6   6.017  -6.122   8.850
   54    HA   GLU   6           HA       GLU   6   8.143  -4.265   7.896
   55   1HB   GLU   6           HB2      GLU   6   8.089  -6.140  10.272
   56   2HB   GLU   6           HB1      GLU   6   9.369  -4.984   9.895
   57   1HG   GLU   6           HG2      GLU   6   6.477  -4.238  10.426
   58   2HG   GLU   6           HG1      GLU   6   7.782  -4.118  11.603
   59    H    SER   7           HN       SER   7   7.046  -7.322   7.146
   60    HA   SER   7           HA       SER   7   9.651  -7.997   5.919
   61   1HB   SER   7           HB2      SER   7   9.687 -10.269   6.880
   62   2HB   SER   7           HB1      SER   7   9.840  -9.035   8.131
   63    HG   SER   7           HG       SER   7   7.339 -10.102   7.351
   64    H    LYS   8           HN       LYS   8   9.500  -9.708   4.348
   65    HA   LYS   8           HA       LYS   8   7.044  -9.695   2.837
   66   1HB   LYS   8           HB2      LYS   8   9.396 -10.105   1.910
   67   2HB   LYS   8           HB1      LYS   8   9.271 -11.724   2.602
   68   1HG   LYS   8           HG2      LYS   8   7.236 -12.151   1.293
   69   2HG   LYS   8           HG1      LYS   8   7.331 -10.528   0.610
   70   1HD   LYS   8           HD2      LYS   8   8.251 -12.222  -0.945
   71   2HD   LYS   8           HD1      LYS   8   9.485 -11.071  -0.436
   72   1HE   LYS   8           HE2      LYS   8  10.586 -12.636   0.892
   73   2HE   LYS   8           HE1      LYS   8   9.134 -13.610   1.136
   74   1HZ   LYS   8           HZ3      LYS   8  10.119 -13.356  -1.596
   75   2HZ   LYS   8           HZ2      LYS   8  11.040 -14.308  -0.533
   76   3HZ   LYS   8           HZ1      LYS   8   9.407 -14.682  -0.815
   77    H    THR   9           HN       THR   9   8.494 -11.767   5.239
   78    HA   THR   9           HA       THR   9   6.933 -14.098   4.919
   79    HB   THR   9           HB       THR   9   7.740 -12.912   7.586
   80    HG1  THR   9           HG1      THR   9   9.669 -13.048   6.775
   81   1HG2  THR   9          HG23      THR   9   7.273 -15.731   6.587
   82   2HG2  THR   9          HG22      THR   9   7.959 -15.345   8.165
   83   3HG2  THR   9          HG21      THR   9   6.310 -14.855   7.776
   84    H    ALA  10           HN       ALA  10   6.291 -11.201   6.869
   85    HA   ALA  10           HA       ALA  10   3.650 -12.078   7.671
   86   1HB   ALA  10           HB2      ALA  10   5.076  -9.409   7.721
   87   2HB   ALA  10           HB1      ALA  10   3.396  -9.567   8.229
   88   3HB   ALA  10           HB3      ALA  10   4.665 -10.444   9.085
   89    H    PHE  11           HN       PHE  11   4.972 -10.228   4.982
   90    HA   PHE  11           HA       PHE  11   2.603  -9.029   3.993
   91   1HB   PHE  11           HB2      PHE  11   4.969  -8.744   3.083
   92   2HB   PHE  11           HB1      PHE  11   4.781 -10.293   2.289
   93    HD1  PHE  11           HD1      PHE  11   2.945  -7.029   2.664
   94    HD2  PHE  11           HD2      PHE  11   3.965 -10.322   0.098
   95    HE1  PHE  11           HE1      PHE  11   1.762  -5.934   0.781
   96    HE2  PHE  11           HE2      PHE  11   2.781  -9.224  -1.781
   97    HZ   PHE  11           HZ       PHE  11   1.676  -7.032  -1.440
   98    H    GLN  12           HN       GLN  12   3.959 -12.255   3.458
   99    HA   GLN  12           HA       GLN  12   1.927 -13.152   1.630
  100   1HB   GLN  12           HB2      GLN  12   3.705 -14.681   3.570
  101   2HB   GLN  12           HB1      GLN  12   2.751 -15.427   2.288
  102   1HG   GLN  12           HG2      GLN  12   4.882 -13.317   1.842
  103   2HG   GLN  12           HG1      GLN  12   5.129 -15.050   1.624
  104   1HE2  GLN  12          HE22      GLN  12   2.933 -15.180  -1.285
  105   2HE2  GLN  12          HE21      GLN  12   3.300 -16.077   0.108
  106    H    GLU  13           HN       GLU  13   2.310 -13.365   5.142
  107    HA   GLU  13           HA       GLU  13  -0.044 -14.913   5.661
  108   1HB   GLU  13           HB2      GLU  13   1.531 -12.969   7.374
  109   2HB   GLU  13           HB1      GLU  13   0.244 -13.980   8.001
  110   1HG   GLU  13           HG2      GLU  13   2.720 -15.030   6.599
  111   2HG   GLU  13           HG1      GLU  13   2.504 -14.981   8.349
  112    H    ALA  14           HN       ALA  14   0.476 -11.407   5.463
  113    HA   ALA  14           HA       ALA  14  -2.134 -10.677   6.408
  114   1HB   ALA  14           HB1      ALA  14  -0.077  -9.181   6.125
  115   2HB   ALA  14           HB3      ALA  14  -0.492  -9.108   4.414
  116   3HB   ALA  14           HB2      ALA  14  -1.619  -8.489   5.624
  117    H    LEU  15           HN       LEU  15  -0.830 -11.333   3.176
  118    HA   LEU  15           HA       LEU  15  -3.137 -10.620   1.684
  119   1HB   LEU  15           HB2      LEU  15  -0.934 -12.632   1.192
  120   2HB   LEU  15           HB1      LEU  15  -2.170 -12.263  -0.006
  121    HG   LEU  15           HG       LEU  15  -0.436 -10.144   1.286
  122   1HD1  LEU  15          HD12      LEU  15   0.050 -11.850  -1.148
  123   2HD1  LEU  15          HD11      LEU  15   0.695 -10.213  -1.069
  124   3HD1  LEU  15          HD13      LEU  15   1.171 -11.406   0.140
  125   1HD2  LEU  15          HD23      LEU  15  -2.439 -10.189  -0.969
  126   2HD2  LEU  15          HD22      LEU  15  -2.247  -9.012   0.329
  127   3HD2  LEU  15          HD21      LEU  15  -1.114  -9.025  -1.016
  128    H    ASP  16           HN       ASP  16  -2.203 -13.649   3.260
  129    HA   ASP  16           HA       ASP  16  -4.461 -15.152   2.302
  130   1HB   ASP  16           HB2      ASP  16  -2.297 -16.096   3.242
  131   2HB   ASP  16           HB1      ASP  16  -2.909 -15.671   4.842
  132    H    ALA  17           HN       ALA  17  -3.881 -13.161   5.156
  133    HA   ALA  17           HA       ALA  17  -6.251 -13.954   6.578
  134   1HB   ALA  17           HB3      ALA  17  -4.552 -11.452   6.743
  135   2HB   ALA  17           HB2      ALA  17  -5.857 -11.831   7.868
  136   3HB   ALA  17           HB1      ALA  17  -4.442 -12.881   7.772
  137    H    ALA  18           HN       ALA  18  -5.588 -11.388   4.241
  138    HA   ALA  18           HA       ALA  18  -8.035  -9.964   4.539
  139   1HB   ALA  18           HB2      ALA  18  -6.249 -10.380   2.131
  140   2HB   ALA  18           HB1      ALA  18  -7.613  -9.263   2.154
  141   3HB   ALA  18           HB3      ALA  18  -6.244  -9.007   3.237
  142    H    GLY  19           HN       GLY  19  -7.231 -12.919   2.799
  143   1HA   GLY  19           HA2      GLY  19  -8.652 -14.531   1.854
  144   2HA   GLY  19           HA1      GLY  19  -9.987 -13.737   2.692
  145    H    ASP  20           HN       ASP  20 -11.506 -13.186   1.213
  146    HA   ASP  20           HA       ASP  20 -10.689 -12.488  -1.536
  147   1HB   ASP  20           HB2      ASP  20 -13.429 -12.806  -0.285
  148   2HB   ASP  20           HB1      ASP  20 -13.104 -12.570  -2.006
  149    H    LYS  21           HN       LYS  21 -10.838 -10.735   1.229
  150    HA   LYS  21           HA       LYS  21 -12.378  -8.430   0.325
  151   1HB   LYS  21           HB2      LYS  21 -10.291  -8.751   2.509
  152   2HB   LYS  21           HB1      LYS  21 -11.254  -7.293   2.262
  153   1HG   LYS  21           HG2      LYS  21 -13.307  -8.884   2.409
  154   2HG   LYS  21           HG1      LYS  21 -12.173 -10.032   3.121
  155   1HD   LYS  21           HD2      LYS  21 -11.529  -8.220   4.769
  156   2HD   LYS  21           HD1      LYS  21 -12.880  -7.274   4.141
  157   1HE   LYS  21           HE2      LYS  21 -13.163 -10.082   5.233
  158   2HE   LYS  21           HE1      LYS  21 -13.449  -8.625   6.184
  159   1HZ   LYS  21           HZ1      LYS  21 -14.793  -8.532   3.675
  160   2HZ   LYS  21           HZ3      LYS  21 -15.259  -9.896   4.569
  161   3HZ   LYS  21           HZ2      LYS  21 -15.423  -8.344   5.242
  162    H    LEU  22           HN       LEU  22 -11.518  -6.432  -0.486
  163    HA   LEU  22           HA       LEU  22  -9.308  -6.626  -2.277
  164   1HB   LEU  22           HB2      LEU  22 -11.345  -4.814  -1.840
  165   2HB   LEU  22           HB1      LEU  22  -9.969  -3.927  -1.209
  166    HG   LEU  22           HG       LEU  22 -10.270  -5.047  -3.999
  167   1HD1  LEU  22          HD11      LEU  22 -10.758  -2.406  -2.748
  168   2HD1  LEU  22          HD13      LEU  22  -9.713  -2.317  -4.164
  169   3HD1  LEU  22          HD12      LEU  22 -11.311  -3.041  -4.291
  170   1HD2  LEU  22          HD22      LEU  22  -7.904  -3.845  -2.557
  171   2HD2  LEU  22          HD21      LEU  22  -7.955  -5.278  -3.588
  172   3HD2  LEU  22          HD23      LEU  22  -8.067  -3.675  -4.301
  173    H    VAL  23           HN       VAL  23  -7.179  -5.575  -2.022
  174    HA   VAL  23           HA       VAL  23  -6.381  -4.868   0.741
  175    HB   VAL  23           HB       VAL  23  -4.913  -6.937  -0.928
  176   1HG1  VAL  23          HG12      VAL  23  -4.475  -5.908   1.892
  177   2HG1  VAL  23          HG11      VAL  23  -3.559  -7.206   1.127
  178   3HG1  VAL  23          HG13      VAL  23  -3.454  -5.564   0.497
  179   1HG2  VAL  23          HG22      VAL  23  -6.691  -7.220   1.502
  180   2HG2  VAL  23          HG21      VAL  23  -6.912  -7.973  -0.076
  181   3HG2  VAL  23          HG23      VAL  23  -5.574  -8.469   0.957
  182    H    VAL  24           HN       VAL  24  -5.304  -2.997   0.533
  183    HA   VAL  24           HA       VAL  24  -3.904  -2.431  -2.057
  184    HB   VAL  24           HB       VAL  24  -4.824  -0.456   0.057
  185   1HG1  VAL  24          HG11      VAL  24  -2.950   0.179  -1.529
  186   2HG1  VAL  24          HG13      VAL  24  -4.097  -0.028  -2.849
  187   3HG1  VAL  24          HG12      VAL  24  -4.378   1.207  -1.625
  188   1HG2  VAL  24          HG22      VAL  24  -6.179  -1.487  -2.444
  189   2HG2  VAL  24          HG21      VAL  24  -6.823  -1.436  -0.803
  190   3HG2  VAL  24          HG23      VAL  24  -6.604   0.060  -1.711
  191    H    VAL  25           HN       VAL  25  -1.695  -1.875  -1.946
  192    HA   VAL  25           HA       VAL  25  -0.448  -1.926   0.798
  193    HB   VAL  25           HB       VAL  25   0.768  -2.944  -1.790
  194   1HG1  VAL  25          HG13      VAL  25   2.373  -2.122  -0.097
  195   2HG1  VAL  25          HG12      VAL  25   1.634  -3.181   1.102
  196   3HG1  VAL  25          HG11      VAL  25   2.475  -3.872  -0.285
  197   1HG2  VAL  25          HG21      VAL  25  -1.212  -4.287  -0.835
  198   2HG2  VAL  25          HG23      VAL  25   0.302  -5.161  -1.054
  199   3HG2  VAL  25          HG22      VAL  25  -0.175  -4.612   0.553
  200    H    ASP  26           HN       ASP  26   0.484  -0.025   1.274
  201    HA   ASP  26           HA       ASP  26   1.196   1.851  -0.943
  202   1HB   ASP  26           HB2      ASP  26  -0.238   2.738   0.835
  203   2HB   ASP  26           HB1      ASP  26   0.963   2.296   2.048
  204    H    PHE  27           HN       PHE  27   3.297   1.564  -1.624
  205    HA   PHE  27           HA       PHE  27   5.410   0.889   0.373
  206   1HB   PHE  27           HB2      PHE  27   5.463   1.270  -2.647
  207   2HB   PHE  27           HB1      PHE  27   6.911   1.000  -1.682
  208    HD1  PHE  27           HD1      PHE  27   7.294  -1.171  -0.565
  209    HD2  PHE  27           HD2      PHE  27   3.883  -0.503  -3.086
  210    HE1  PHE  27           HE1      PHE  27   6.915  -3.623  -0.705
  211    HE2  PHE  27           HE2      PHE  27   3.500  -2.950  -3.219
  212    HZ   PHE  27           HZ       PHE  27   5.018  -4.510  -2.030
  213    H    SER  28           HN       SER  28   5.850   2.711   1.554
  214    HA   SER  28           HA       SER  28   6.568   5.211   0.047
  215   1HB   SER  28           HB2      SER  28   5.091   4.997   2.691
  216   2HB   SER  28           HB1      SER  28   5.682   6.493   1.980
  217    HG   SER  28           HG       SER  28   3.399   5.791   1.565
  218    H    ALA  29           HN       ALA  29   8.437   6.243   0.839
  219    HA   ALA  29           HA       ALA  29  10.101   4.568   2.597
  220   1HB   ALA  29           HB3      ALA  29  10.512   6.999   0.891
  221   2HB   ALA  29           HB2      ALA  29  11.618   6.771   2.246
  222   3HB   ALA  29           HB1      ALA  29  11.488   5.535   0.994
  223    H    THR  30           HN       THR  30  10.031   4.791   4.779
  224    HA   THR  30           HA       THR  30   8.421   6.798   6.043
  225    HB   THR  30           HB       THR  30   8.927   4.648   7.140
  226    HG1  THR  30           HG1      THR  30   9.477   5.543   9.169
  227   1HG2  THR  30          HG21      THR  30  11.273   4.488   6.261
  228   2HG2  THR  30          HG23      THR  30  11.748   5.709   7.442
  229   3HG2  THR  30          HG22      THR  30  11.141   4.143   7.985
  230    H    TRP  31           HN       TRP  31  11.834   6.576   5.222
  231    HA   TRP  31           HA       TRP  31  12.627   8.921   6.748
  232   1HB   TRP  31           HB2      TRP  31  14.694   8.832   5.453
  233   2HB   TRP  31           HB1      TRP  31  14.254   7.215   5.998
  234    HD1  TRP  31           HD1      TRP  31  13.813   5.436   4.232
  235    HE1  TRP  31           HE1      TRP  31  13.927   5.349   1.660
  236    HE3  TRP  31           HE3      TRP  31  14.137  10.418   3.220
  237    HZ2  TRP  31           HZ2      TRP  31  14.095   7.171  -0.539
  238    HZ3  TRP  31           HZ3      TRP  31  14.250  11.218   0.880
  239    HH2  TRP  31           HH2      TRP  31  14.231   9.604  -0.999
  240    H    CYS  32           HN       CYS  32  11.243   8.433   3.551
  241    HA   CYS  32           HA       CYS  32  11.936  11.152   2.675
  242   1HB   CYS  32           HB2      CYS  32  11.598   9.045   1.174
  243   2HB   CYS  32           HB1      CYS  32   9.880   9.373   1.350
  244    H    GLY  33           HN       GLY  33  10.896  12.835   3.473
  245   1HA   GLY  33           HA2      GLY  33   8.536  12.705   5.032
  246   2HA   GLY  33           HA1      GLY  33   9.207  14.181   4.350
  247    HA   PRO  34           HA       PRO  34   6.233  14.561   1.120
  248   1HB   PRO  34           HB2      PRO  34   7.776  13.098  -0.971
  249   2HB   PRO  34           HB1      PRO  34   7.138  14.751  -0.993
  250   1HG   PRO  34           HG2      PRO  34   9.789  14.203  -0.681
  251   2HG   PRO  34           HG1      PRO  34   9.020  15.636   0.020
  252   1HD   PRO  34           HD2      PRO  34   9.992  13.181   1.384
  253   2HD   PRO  34           HD1      PRO  34   9.736  14.808   2.057
  254    H    ALA  35           HN       ALA  35   7.646  11.278   1.100
  255    HA   ALA  35           HA       ALA  35   5.254  10.055  -0.024
  256   1HB   ALA  35           HB1      ALA  35   7.629   9.119  -0.122
  257   2HB   ALA  35           HB3      ALA  35   7.407   8.650   1.563
  258   3HB   ALA  35           HB2      ALA  35   6.364   7.972   0.314
  259    H    LYS  36           HN       LYS  36   6.710   9.944   3.252
  260    HA   LYS  36           HA       LYS  36   4.502   8.608   4.467
  261   1HB   LYS  36           HB2      LYS  36   6.793   8.903   5.478
  262   2HB   LYS  36           HB1      LYS  36   6.353  10.576   5.831
  263   1HG   LYS  36           HG2      LYS  36   4.358   9.740   7.088
  264   2HG   LYS  36           HG1      LYS  36   4.924   8.091   6.823
  265   1HD   LYS  36           HD2      LYS  36   7.054   8.669   7.994
  266   2HD   LYS  36           HD1      LYS  36   6.404  10.276   8.326
  267   1HE   LYS  36           HE2      LYS  36   5.976   8.966  10.291
  268   2HE   LYS  36           HE1      LYS  36   4.433   9.119   9.452
  269   1HZ   LYS  36           HZ2      LYS  36   6.255   6.810   9.079
  270   2HZ   LYS  36           HZ1      LYS  36   5.009   6.831  10.234
  271   3HZ   LYS  36           HZ3      LYS  36   4.635   6.948   8.584
  272    H    MET  37           HN       MET  37   5.151  12.017   3.890
  273    HA   MET  37           HA       MET  37   3.111  13.149   5.490
  274   1HB   MET  37           HB2      MET  37   4.924  14.393   4.234
  275   2HB   MET  37           HB1      MET  37   3.970  14.159   2.769
  276   1HG   MET  37           HG2      MET  37   2.036  15.263   3.926
  277   2HG   MET  37           HG1      MET  37   3.110  15.616   5.279
  278   1HE   MET  37           HE3      MET  37   2.626  15.840   1.489
  279   2HE   MET  37           HE2      MET  37   1.548  17.010   2.241
  280   3HE   MET  37           HE1      MET  37   2.848  17.569   1.192
  281    H    ILE  38           HN       ILE  38   3.010  11.474   2.454
  282    HA   ILE  38           HA       ILE  38   0.249  12.272   1.854
  283    HB   ILE  38           HB       ILE  38   2.128  10.330   0.488
  284   1HG1  ILE  38          HG12      ILE  38   1.180  13.018  -0.517
  285   2HG1  ILE  38          HG11      ILE  38   2.589  12.890   0.530
  286   1HG2  ILE  38          HG22      ILE  38  -0.710  11.178  -0.075
  287   2HG2  ILE  38          HG21      ILE  38   0.363  10.778  -1.415
  288   3HG2  ILE  38          HG23      ILE  38   0.014   9.573  -0.177
  289   1HD1  ILE  38          HD13      ILE  38   2.236  11.441  -2.102
  290   2HD1  ILE  38          HD12      ILE  38   3.237  12.871  -1.845
  291   3HD1  ILE  38          HD11      ILE  38   3.650  11.350  -1.063
  292    H    LYS  39           HN       LYS  39   1.632   9.803   3.825
  293    HA   LYS  39           HA       LYS  39  -0.217   7.744   3.101
  294   1HB   LYS  39           HB2      LYS  39   0.531   6.449   4.865
  295   2HB   LYS  39           HB1      LYS  39   1.928   7.411   4.427
  296   1HG   LYS  39           HG2      LYS  39   1.797   8.742   6.372
  297   2HG   LYS  39           HG1      LYS  39   0.116   8.321   6.685
  298   1HD   LYS  39           HD2      LYS  39   1.018   5.886   6.929
  299   2HD   LYS  39           HD1      LYS  39   2.589   6.660   7.116
  300   1HE   LYS  39           HE2      LYS  39   1.707   7.956   9.013
  301   2HE   LYS  39           HE1      LYS  39   0.124   7.194   8.793
  302   1HZ   LYS  39           HZ2      LYS  39   2.579   5.591   9.158
  303   2HZ   LYS  39           HZ1      LYS  39   1.691   6.158  10.488
  304   3HZ   LYS  39           HZ3      LYS  39   0.962   5.115   9.369
  305    HA   PRO  40           HA       PRO  40  -2.801   9.432   6.965
  306   1HB   PRO  40           HB2      PRO  40  -3.155  12.133   5.753
  307   2HB   PRO  40           HB1      PRO  40  -3.020  11.672   7.463
  308   1HG   PRO  40           HG2      PRO  40  -0.995  12.887   6.111
  309   2HG   PRO  40           HG1      PRO  40  -0.712  11.750   7.436
  310   1HD   PRO  40           HD2      PRO  40  -0.292  11.371   4.540
  311   2HD   PRO  40           HD1      PRO  40   0.478  10.517   5.883
  312    H    PHE  41           HN       PHE  41  -3.118  10.529   3.542
  313    HA   PHE  41           HA       PHE  41  -6.002  10.214   3.599
  314   1HB   PHE  41           HB2      PHE  41  -4.032  10.121   1.286
  315   2HB   PHE  41           HB1      PHE  41  -5.776  10.032   1.106
  316    HD1  PHE  41           HD2      PHE  41  -3.127  12.158   2.652
  317    HD2  PHE  41           HD1      PHE  41  -7.024  11.988   0.855
  318    HE1  PHE  41           HE2      PHE  41  -3.259  14.637   2.711
  319    HE2  PHE  41           HE1      PHE  41  -7.160  14.469   0.919
  320    HZ   PHE  41           HZ       PHE  41  -5.275  15.792   1.841
  321    H    PHE  42           HN       PHE  42  -3.252   8.173   2.693
  322    HA   PHE  42           HA       PHE  42  -4.741   5.874   1.893
  323   1HB   PHE  42           HB2      PHE  42  -2.379   6.125   1.377
  324   2HB   PHE  42           HB1      PHE  42  -1.961   6.154   3.090
  325    HD1  PHE  42           HD1      PHE  42  -3.247   4.038   0.329
  326    HD2  PHE  42           HD2      PHE  42  -1.831   4.144   4.381
  327    HE1  PHE  42           HE1      PHE  42  -3.099   1.565   0.347
  328    HE2  PHE  42           HE2      PHE  42  -1.683   1.671   4.398
  329    HZ   PHE  42           HZ       PHE  42  -2.317   0.380   2.378
  330    H    HIS  43           HN       HIS  43  -3.207   6.616   5.050
  331    HA   HIS  43           HA       HIS  43  -4.310   4.340   6.406
  332   1HB   HIS  43           HB2      HIS  43  -2.309   5.591   7.186
  333   2HB   HIS  43           HB1      HIS  43  -3.324   6.993   7.523
  334    HD1  HIS  43           HD1      HIS  43  -2.313   3.698   8.875
  335    HD2  HIS  43           HD2      HIS  43  -5.182   6.595   9.692
  336    HE1  HIS  43           HE1      HIS  43  -3.276   3.126  11.149
  337    H    SER  44           HN       SER  44  -5.392   7.723   6.137
  338    HA   SER  44           HA       SER  44  -7.528   7.610   7.998
  339   1HB   SER  44           HB2      SER  44  -7.251   9.273   5.488
  340   2HB   SER  44           HB1      SER  44  -8.478   9.531   6.721
  341    HG   SER  44           HG       SER  44  -7.012  10.605   7.760
  342    H    LEU  45           HN       LEU  45  -7.482   6.791   4.538
  343    HA   LEU  45           HA       LEU  45 -10.297   6.445   4.215
  344   1HB   LEU  45           HB2      LEU  45  -7.945   5.207   2.780
  345   2HB   LEU  45           HB1      LEU  45  -9.608   4.988   2.261
  346    HG   LEU  45           HG       LEU  45  -8.549   7.786   2.708
  347   1HD1  LEU  45          HD12      LEU  45  -6.939   6.622   1.195
  348   2HD1  LEU  45          HD11      LEU  45  -8.279   6.201   0.132
  349   3HD1  LEU  45          HD13      LEU  45  -7.842   7.891   0.371
  350   1HD2  LEU  45          HD22      LEU  45 -10.664   6.544   0.920
  351   2HD2  LEU  45          HD21      LEU  45 -10.917   7.609   2.302
  352   3HD2  LEU  45          HD23      LEU  45 -10.175   8.235   0.835
  353    H    SER  46           HN       SER  46  -7.948   4.416   5.784
  354    HA   SER  46           HA       SER  46  -9.018   1.859   5.422
  355   1HB   SER  46           HB2      SER  46  -7.954   3.023   8.011
  356   2HB   SER  46           HB1      SER  46  -8.125   1.307   7.655
  357    HG   SER  46           HG       SER  46  -6.052   2.736   7.156
  358    H    GLU  47           HN       GLU  47 -10.134   4.418   7.588
  359    HA   GLU  47           HA       GLU  47 -12.295   2.739   8.643
  360   1HB   GLU  47           HB2      GLU  47 -11.660   5.698   8.891
  361   2HB   GLU  47           HB1      GLU  47 -13.040   4.929   9.673
  362   1HG   GLU  47           HG2      GLU  47 -10.157   4.081  10.072
  363   2HG   GLU  47           HG1      GLU  47 -11.049   5.132  11.173
  364    H    LYS  48           HN       LYS  48 -11.830   4.764   5.847
  365    HA   LYS  48           HA       LYS  48 -14.668   5.421   5.557
  366   1HB   LYS  48           HB2      LYS  48 -12.872   6.812   4.507
  367   2HB   LYS  48           HB1      LYS  48 -12.492   5.461   3.437
  368   1HG   LYS  48           HG2      LYS  48 -14.878   5.495   2.637
  369   2HG   LYS  48           HG1      LYS  48 -15.137   6.945   3.602
  370   1HD   LYS  48           HD2      LYS  48 -12.922   6.798   1.559
  371   2HD   LYS  48           HD1      LYS  48 -14.556   7.251   1.100
  372   1HE   LYS  48           HE2      LYS  48 -14.495   9.060   2.834
  373   2HE   LYS  48           HE1      LYS  48 -12.806   8.665   3.137
  374   1HZ   LYS  48           HZ3      LYS  48 -13.242   8.966   0.367
  375   2HZ   LYS  48           HZ2      LYS  48 -13.819  10.340   1.180
  376   3HZ   LYS  48           HZ1      LYS  48 -12.206   9.845   1.382
  377    H    TYR  49           HN       TYR  49 -12.404   3.015   4.380
  378    HA   TYR  49           HA       TYR  49 -14.715   1.368   3.374
  379   1HB   TYR  49           HB2      TYR  49 -11.844   1.431   2.349
  380   2HB   TYR  49           HB1      TYR  49 -13.096   0.322   1.795
  381    HD1  TYR  49           HD2      TYR  49 -15.241   1.321   0.794
  382    HD2  TYR  49           HD1      TYR  49 -11.641   3.586   1.398
  383    HE1  TYR  49           HE2      TYR  49 -16.045   3.028  -0.814
  384    HE2  TYR  49           HE1      TYR  49 -12.446   5.293  -0.208
  385    HH   TYR  49           HH       TYR  49 -15.707   5.240  -1.463
  386    H    SER  50           HN       SER  50 -14.570   0.936   5.808
  387    HA   SER  50           HA       SER  50 -12.369  -0.478   6.941
  388   1HB   SER  50           HB2      SER  50 -13.906  -1.055   8.709
  389   2HB   SER  50           HB1      SER  50 -14.286   0.580   8.198
  390    HG   SER  50           HG       SER  50 -15.907  -1.479   8.275
  391    H    ASN  51           HN       ASN  51 -14.507  -1.335   4.501
  392    HA   ASN  51           HA       ASN  51 -14.461  -4.233   5.086
  393   1HB   ASN  51           HB2      ASN  51 -16.481  -3.063   4.093
  394   2HB   ASN  51           HB1      ASN  51 -15.533  -2.845   2.622
  395   1HD2  ASN  51          HD22      ASN  51 -16.099  -6.137   1.526
  396   2HD2  ASN  51          HD21      ASN  51 -15.599  -4.559   1.150
  397    H    VAL  52           HN       VAL  52 -12.217  -2.208   4.057
  398    HA   VAL  52           HA       VAL  52 -11.041  -4.145   2.109
  399    HB   VAL  52           HB       VAL  52 -10.994  -1.116   2.079
  400   1HG1  VAL  52          HG11      VAL  52  -9.166  -3.130   0.793
  401   2HG1  VAL  52          HG13      VAL  52  -9.553  -1.646  -0.080
  402   3HG1  VAL  52          HG12      VAL  52  -8.779  -1.567   1.500
  403   1HG2  VAL  52          HG21      VAL  52 -12.938  -2.196   1.015
  404   2HG2  VAL  52          HG23      VAL  52 -11.902  -1.441  -0.196
  405   3HG2  VAL  52          HG22      VAL  52 -11.856  -3.189   0.037
  406    H    ILE  53           HN       ILE  53  -8.774  -4.517   2.419
  407    HA   ILE  53           HA       ILE  53  -7.812  -3.653   5.122
  408    HB   ILE  53           HB       ILE  53  -6.590  -5.717   3.269
  409   1HG1  ILE  53          HG12      ILE  53  -8.875  -6.411   3.651
  410   2HG1  ILE  53          HG11      ILE  53  -7.848  -7.373   4.711
  411   1HG2  ILE  53          HG21      ILE  53  -5.442  -4.653   5.437
  412   2HG2  ILE  53          HG23      ILE  53  -6.472  -5.809   6.274
  413   3HG2  ILE  53          HG22      ILE  53  -5.297  -6.372   5.089
  414   1HD1  ILE  53          HD12      ILE  53  -8.315  -5.526   6.483
  415   2HD1  ILE  53          HD11      ILE  53  -9.653  -5.068   5.433
  416   3HD1  ILE  53          HD13      ILE  53  -9.599  -6.685   6.134
  417    H    PHE  54           HN       PHE  54  -6.405  -1.966   5.216
  418    HA   PHE  54           HA       PHE  54  -4.815  -1.250   2.778
  419   1HB   PHE  54           HB2      PHE  54  -5.499   0.319   5.287
  420   2HB   PHE  54           HB1      PHE  54  -4.412   0.907   4.034
  421    HD1  PHE  54           HD1      PHE  54  -7.885  -0.312   4.624
  422    HD2  PHE  54           HD2      PHE  54  -5.275   1.957   2.079
  423    HE1  PHE  54           HE1      PHE  54  -9.841   0.502   3.334
  424    HE2  PHE  54           HE2      PHE  54  -7.234   2.763   0.784
  425    HZ   PHE  54           HZ       PHE  54  -9.515   2.031   1.414
  426    H    LEU  55           HN       LEU  55  -2.649  -1.792   2.788
  427    HA   LEU  55           HA       LEU  55  -1.306  -2.268   5.436
  428   1HB   LEU  55           HB2      LEU  55  -0.697  -3.461   2.718
  429   2HB   LEU  55           HB1      LEU  55   0.419  -3.564   4.077
  430    HG   LEU  55           HG       LEU  55  -1.168  -4.850   5.362
  431   1HD1  LEU  55          HD13      LEU  55  -3.100  -4.058   3.205
  432   2HD1  LEU  55          HD12      LEU  55  -3.342  -5.572   4.077
  433   3HD1  LEU  55          HD11      LEU  55  -3.296  -4.050   4.957
  434   1HD2  LEU  55          HD21      LEU  55   0.203  -5.950   3.536
  435   2HD2  LEU  55          HD23      LEU  55  -1.218  -6.849   4.053
  436   3HD2  LEU  55          HD22      LEU  55  -1.251  -5.943   2.543
  437    H    GLU  56           HN       GLU  56   0.605  -1.269   5.868
  438    HA   GLU  56           HA       GLU  56   1.543   0.793   3.900
  439   1HB   GLU  56           HB2      GLU  56   0.696   1.598   6.167
  440   2HB   GLU  56           HB1      GLU  56   2.062   0.744   6.888
  441   1HG   GLU  56           HG2      GLU  56   3.564   2.043   5.300
  442   2HG   GLU  56           HG1      GLU  56   2.157   3.033   4.908
  443    H    VAL  57           HN       VAL  57   3.636   0.544   3.158
  444    HA   VAL  57           HA       VAL  57   5.356  -1.501   4.545
  445    HB   VAL  57           HB       VAL  57   5.061  -1.081   1.566
  446   1HG1  VAL  57          HG13      VAL  57   6.620  -3.037   3.272
  447   2HG1  VAL  57          HG12      VAL  57   6.382  -3.234   1.537
  448   3HG1  VAL  57          HG11      VAL  57   7.286  -1.849   2.152
  449   1HG2  VAL  57          HG23      VAL  57   3.064  -2.103   2.635
  450   2HG2  VAL  57          HG22      VAL  57   3.923  -3.256   1.613
  451   3HG2  VAL  57          HG21      VAL  57   4.101  -3.329   3.365
  452    H    ASP  58           HN       ASP  58   7.459  -1.004   4.788
  453    HA   ASP  58           HA       ASP  58   8.440   1.692   3.927
  454   1HB   ASP  58           HB2      ASP  58   8.453   0.938   6.365
  455   2HB   ASP  58           HB1      ASP  58   9.660  -0.264   5.888
  456    H    VAL  59           HN       VAL  59   9.770   1.652   2.137
  457    HA   VAL  59           HA       VAL  59  10.847  -0.811   1.071
  458    HB   VAL  59           HB       VAL  59  12.127   0.678  -0.446
  459   1HG1  VAL  59          HG13      VAL  59   9.237   1.439   0.043
  460   2HG1  VAL  59          HG12      VAL  59  10.139   1.873  -1.406
  461   3HG1  VAL  59          HG11      VAL  59   9.828   0.180  -1.035
  462   1HG2  VAL  59          HG21      VAL  59  11.088   2.800   1.439
  463   2HG2  VAL  59          HG23      VAL  59  12.762   2.473   0.997
  464   3HG2  VAL  59          HG22      VAL  59  11.658   3.176  -0.186
  465    H    ASP  60           HN       ASP  60  11.844   1.411   3.524
  466    HA   ASP  60           HA       ASP  60  14.677   0.559   3.348
  467   1HB   ASP  60           HB2      ASP  60  13.157   2.610   4.934
  468   2HB   ASP  60           HB1      ASP  60  14.778   2.145   5.412
  469    H    ASP  61           HN       ASP  61  11.950   0.192   5.666
  470    HA   ASP  61           HA       ASP  61  13.657  -1.654   7.289
  471   1HB   ASP  61           HB2      ASP  61  10.863  -0.562   7.792
  472   2HB   ASP  61           HB1      ASP  61  11.727  -1.652   8.873
  473    H    ALA  62           HN       ALA  62  11.348  -1.630   4.817
  474    HA   ALA  62           HA       ALA  62  10.915  -4.577   5.105
  475   1HB   ALA  62           HB2      ALA  62   8.902  -2.747   5.325
  476   2HB   ALA  62           HB1      ALA  62   8.894  -2.998   3.580
  477   3HB   ALA  62           HB3      ALA  62   8.660  -4.367   4.672
  478    H    GLN  63           HN       GLN  63  13.072  -3.328   3.837
  479    HA   GLN  63           HA       GLN  63  12.736  -2.850   1.058
  480   1HB   GLN  63           HB2      GLN  63  15.139  -3.075   0.897
  481   2HB   GLN  63           HB1      GLN  63  14.789  -2.327   2.455
  482   1HG   GLN  63           HG2      GLN  63  14.887  -4.624   3.491
  483   2HG   GLN  63           HG1      GLN  63  15.471  -5.232   1.945
  484   1HE2  GLN  63          HE22      GLN  63  18.430  -4.356   4.087
  485   2HE2  GLN  63          HE21      GLN  63  17.107  -5.405   4.267
  486    H    ASP  64           HN       ASP  64  12.665  -5.787   2.863
  487    HA   ASP  64           HA       ASP  64  13.430  -7.626   0.785
  488   1HB   ASP  64           HB2      ASP  64  12.116  -9.269   2.206
  489   2HB   ASP  64           HB1      ASP  64  13.371  -8.384   3.074
  490    H    VAL  65           HN       VAL  65  10.349  -6.238   1.800
  491    HA   VAL  65           HA       VAL  65   8.721  -7.735  -0.052
  492    HB   VAL  65           HB       VAL  65   8.070  -5.047   1.179
  493   1HG1  VAL  65          HG11      VAL  65   6.448  -6.003  -0.416
  494   2HG1  VAL  65          HG13      VAL  65   6.385  -7.483   0.542
  495   3HG1  VAL  65          HG12      VAL  65   5.795  -5.967   1.223
  496   1HG2  VAL  65          HG22      VAL  65   8.243  -7.769   2.466
  497   2HG2  VAL  65          HG21      VAL  65   8.893  -6.238   3.045
  498   3HG2  VAL  65          HG23      VAL  65   7.156  -6.533   3.095
  499    H    ALA  66           HN       ALA  66  10.132  -4.471  -0.038
  500    HA   ALA  66           HA       ALA  66   8.987  -3.687  -2.563
  501   1HB   ALA  66           HB2      ALA  66  10.007  -2.230  -0.643
  502   2HB   ALA  66           HB1      ALA  66  11.535  -2.505  -1.482
  503   3HB   ALA  66           HB3      ALA  66  10.196  -1.717  -2.318
  504    H    SER  67           HN       SER  67  12.144  -5.088  -1.641
  505    HA   SER  67           HA       SER  67  13.377  -4.840  -4.207
  506   1HB   SER  67           HB2      SER  67  14.884  -6.626  -3.484
  507   2HB   SER  67           HB1      SER  67  14.590  -5.541  -2.126
  508    HG   SER  67           HG       SER  67  12.861  -7.700  -2.504
  509    H    GLU  68           HN       GLU  68  11.166  -7.239  -2.873
  510    HA   GLU  68           HA       GLU  68  11.348  -9.162  -4.975
  511   1HB   GLU  68           HB2      GLU  68  10.217  -9.502  -2.747
  512   2HB   GLU  68           HB1      GLU  68   8.901  -8.476  -3.314
  513   1HG   GLU  68           HG2      GLU  68   8.571 -10.031  -5.239
  514   2HG   GLU  68           HG1      GLU  68   9.811 -11.086  -4.557
  515    H    ALA  69           HN       ALA  69   9.342  -6.257  -4.571
  516    HA   ALA  69           HA       ALA  69   7.975  -6.726  -7.125
  517   1HB   ALA  69           HB1      ALA  69   6.889  -5.679  -5.093
  518   2HB   ALA  69           HB3      ALA  69   7.877  -4.250  -5.399
  519   3HB   ALA  69           HB2      ALA  69   6.694  -4.778  -6.597
  520    H    GLU  70           HN       GLU  70  10.989  -5.525  -6.378
  521    HA   GLU  70           HA       GLU  70  12.500  -4.163  -7.550
  522   1HB   GLU  70           HB2      GLU  70  10.601  -4.886  -9.803
  523   2HB   GLU  70           HB1      GLU  70  12.110  -4.015 -10.040
  524   1HG   GLU  70           HG2      GLU  70  12.594  -6.308 -10.450
  525   2HG   GLU  70           HG1      GLU  70  13.272  -5.940  -8.866
  526    H    VAL  71           HN       VAL  71  10.766  -2.651  -6.058
  527    HA   VAL  71           HA       VAL  71   9.231  -0.770  -7.595
  528    HB   VAL  71           HB       VAL  71  10.540  -0.294  -4.895
  529   1HG1  VAL  71          HG11      VAL  71   8.173   0.920  -6.356
  530   2HG1  VAL  71          HG13      VAL  71   8.500   1.191  -4.644
  531   3HG1  VAL  71          HG12      VAL  71   9.658   1.734  -5.864
  532   1HG2  VAL  71          HG23      VAL  71   7.910  -1.629  -5.654
  533   2HG2  VAL  71          HG22      VAL  71   9.249  -2.354  -4.767
  534   3HG2  VAL  71          HG21      VAL  71   8.289  -1.078  -4.022
  535    H    LYS  72           HN       LYS  72   9.887   0.989  -8.726
  536    HA   LYS  72           HA       LYS  72  12.778   1.687  -8.664
  537   1HB   LYS  72           HB2      LYS  72  10.647   2.301 -10.721
  538   2HB   LYS  72           HB1      LYS  72  12.353   2.709 -10.868
  539   1HG   LYS  72           HG2      LYS  72  11.353  -0.141 -10.493
  540   2HG   LYS  72           HG1      LYS  72  11.664   0.578 -12.072
  541   1HD   LYS  72           HD2      LYS  72  14.027   1.131 -11.102
  542   2HD   LYS  72           HD1      LYS  72  13.629  -0.074  -9.879
  543   1HE   LYS  72           HE2      LYS  72  13.198  -1.737 -11.649
  544   2HE   LYS  72           HE1      LYS  72  13.611  -0.535 -12.873
  545   1HZ   LYS  72           HZ2      LYS  72  15.551  -0.933 -10.746
  546   2HZ   LYS  72           HZ1      LYS  72  15.379  -2.215 -11.848
  547   3HZ   LYS  72           HZ3      LYS  72  15.795  -0.668 -12.405
  548    H    ALA  73           HN       ALA  73   9.764   2.856  -7.576
  549    HA   ALA  73           HA       ALA  73  10.991   5.360  -6.722
  550   1HB   ALA  73           HB1      ALA  73   9.400   5.234  -9.174
  551   2HB   ALA  73           HB3      ALA  73   8.753   6.411  -8.033
  552   3HB   ALA  73           HB2      ALA  73  10.423   6.544  -8.585
  553    H    THR  74           HN       THR  74   9.647   6.539  -5.222
  554    HA   THR  74           HA       THR  74   7.198   5.098  -4.273
  555    HB   THR  74           HB       THR  74   7.908   5.420  -1.961
  556    HG1  THR  74           HG1      THR  74   9.724   6.560  -1.460
  557   1HG2  THR  74          HG23      THR  74  10.048   4.293  -3.747
  558   2HG2  THR  74          HG22      THR  74  10.228   4.310  -1.998
  559   3HG2  THR  74          HG21      THR  74   8.890   3.431  -2.738
  560    HA   PRO  75           HA       PRO  75   5.749   5.664  -2.448
  561   1HB   PRO  75           HB2      PRO  75   3.154   6.579  -2.566
  562   2HB   PRO  75           HB1      PRO  75   4.325   7.076  -1.336
  563   1HG   PRO  75           HG2      PRO  75   3.347   8.578  -3.724
  564   2HG   PRO  75           HG1      PRO  75   3.878   9.190  -2.148
  565   1HD   PRO  75           HD2      PRO  75   5.415   9.231  -4.506
  566   2HD   PRO  75           HD1      PRO  75   6.069   9.405  -2.852
  567    H    THR  76           HN       THR  76   4.847   3.789  -3.240
  568    HA   THR  76           HA       THR  76   3.512   3.875  -5.925
  569    HB   THR  76           HB       THR  76   5.375   1.722  -4.904
  570    HG1  THR  76           HG1      THR  76   5.760   4.005  -6.267
  571   1HG2  THR  76          HG22      THR  76   3.754   2.017  -7.435
  572   2HG2  THR  76          HG21      THR  76   5.097   0.884  -7.283
  573   3HG2  THR  76          HG23      THR  76   3.674   0.708  -6.257
  574    H    PHE  77           HN       PHE  77   1.578   2.910  -5.935
  575    HA   PHE  77           HA       PHE  77   0.721   1.430  -3.478
  576   1HB   PHE  77           HB2      PHE  77  -0.918   2.823  -5.620
  577   2HB   PHE  77           HB1      PHE  77  -1.552   2.085  -4.149
  578    HD1  PHE  77           HD1      PHE  77  -0.997   3.083  -1.901
  579    HD2  PHE  77           HD2      PHE  77   0.170   4.952  -5.589
  580    HE1  PHE  77           HE1      PHE  77  -0.599   5.218  -0.697
  581    HE2  PHE  77           HE2      PHE  77   0.571   7.083  -4.388
  582    HZ   PHE  77           HZ       PHE  77   0.183   7.222  -1.940
  583    H    GLN  78           HN       GLN  78   0.237  -0.713  -3.704
  584    HA   GLN  78           HA       GLN  78  -0.161  -1.825  -6.469
  585   1HB   GLN  78           HB2      GLN  78   1.322  -3.011  -4.112
  586   2HB   GLN  78           HB1      GLN  78   0.822  -3.959  -5.513
  587   1HG   GLN  78           HG2      GLN  78   2.106  -2.391  -6.971
  588   2HG   GLN  78           HG1      GLN  78   2.677  -1.558  -5.524
  589   1HE2  GLN  78          HE22      GLN  78   5.416  -3.833  -5.748
  590   2HE2  GLN  78          HE21      GLN  78   4.923  -2.237  -6.030
  591    H    PHE  79           HN       PHE  79  -1.859  -3.213  -6.696
  592    HA   PHE  79           HA       PHE  79  -3.651  -3.478  -4.300
  593   1HB   PHE  79           HB2      PHE  79  -4.222  -3.464  -7.268
  594   2HB   PHE  79           HB1      PHE  79  -5.431  -3.834  -6.034
  595    HD1  PHE  79           HD2      PHE  79  -3.014  -1.245  -7.183
  596    HD2  PHE  79           HD1      PHE  79  -6.453  -2.095  -4.768
  597    HE1  PHE  79           HE2      PHE  79  -3.327   1.175  -6.781
  598    HE2  PHE  79           HE1      PHE  79  -6.769   0.323  -4.356
  599    HZ   PHE  79           HZ       PHE  79  -5.211   1.965  -5.365
  600    H    PHE  80           HN       PHE  80  -4.134  -5.419  -3.535
  601    HA   PHE  80           HA       PHE  80  -3.451  -7.841  -5.159
  602   1HB   PHE  80           HB2      PHE  80  -2.996  -7.299  -2.220
  603   2HB   PHE  80           HB1      PHE  80  -2.932  -8.916  -2.919
  604    HD1  PHE  80           HD2      PHE  80  -1.293  -5.595  -2.787
  605    HD2  PHE  80           HD1      PHE  80  -1.152  -9.572  -4.432
  606    HE1  PHE  80           HE2      PHE  80   1.050  -5.229  -3.502
  607    HE2  PHE  80           HE1      PHE  80   1.193  -9.190  -5.146
  608    HZ   PHE  80           HZ       PHE  80   2.293  -7.017  -4.682
  609    H    LYS  81           HN       LYS  81  -4.888  -9.566  -4.994
  610    HA   LYS  81           HA       LYS  81  -7.171  -9.364  -3.132
  611   1HB   LYS  81           HB2      LYS  81  -7.689  -8.113  -5.333
  612   2HB   LYS  81           HB1      LYS  81  -7.664  -9.704  -6.097
  613   1HG   LYS  81           HG2      LYS  81  -9.363 -10.475  -4.458
  614   2HG   LYS  81           HG1      LYS  81  -9.437  -8.848  -3.803
  615   1HD   LYS  81           HD2      LYS  81 -10.000  -8.050  -6.143
  616   2HD   LYS  81           HD1      LYS  81 -10.197  -9.747  -6.586
  617   1HE   LYS  81           HE2      LYS  81 -11.670  -8.423  -4.291
  618   2HE   LYS  81           HE1      LYS  81 -12.345  -8.620  -5.909
  619   1HZ   LYS  81           HZ1      LYS  81 -11.329 -10.858  -4.249
  620   2HZ   LYS  81           HZ3      LYS  81 -12.962 -10.408  -4.337
  621   3HZ   LYS  81           HZ2      LYS  81 -12.162 -10.975  -5.724
  622    H    LYS  82           HN       LYS  82  -7.643 -11.413  -2.438
  623    HA   LYS  82           HA       LYS  82  -7.510 -13.749  -2.232
  624   1HB   LYS  82           HB2      LYS  82  -7.459 -13.636  -5.281
  625   2HB   LYS  82           HB1      LYS  82  -7.717 -15.086  -4.317
  626   1HG   LYS  82           HG2      LYS  82  -9.675 -13.735  -3.239
  627   2HG   LYS  82           HG1      LYS  82  -9.526 -12.710  -4.658
  628   1HD   LYS  82           HD2      LYS  82  -9.756 -14.762  -6.093
  629   2HD   LYS  82           HD1      LYS  82 -10.108 -15.676  -4.626
  630   1HE   LYS  82           HE2      LYS  82 -12.050 -14.285  -4.164
  631   2HE   LYS  82           HE1      LYS  82 -11.665 -13.235  -5.528
  632   1HZ   LYS  82           HZ2      LYS  82 -11.828 -16.002  -6.255
  633   2HZ   LYS  82           HZ1      LYS  82 -13.286 -15.413  -5.606
  634   3HZ   LYS  82           HZ3      LYS  82 -12.589 -14.652  -6.953
  635    H    GLY  83           HN       GLY  83  -5.031 -12.056  -2.413
  636   1HA   GLY  83           HA2      GLY  83  -2.746 -12.584  -2.211
  637   2HA   GLY  83           HA1      GLY  83  -3.144 -14.262  -2.573
  638    H    GLN  84           HN       GLN  84  -4.292 -11.827  -4.774
  639    HA   GLN  84           HA       GLN  84  -2.081 -12.481  -6.682
  640   1HB   GLN  84           HB2      GLN  84  -5.059 -12.356  -7.214
  641   2HB   GLN  84           HB1      GLN  84  -3.842 -12.394  -8.489
  642   1HG   GLN  84           HG2      GLN  84  -2.958 -14.529  -7.490
  643   2HG   GLN  84           HG1      GLN  84  -4.322 -14.509  -6.372
  644   1HE2  GLN  84          HE22      GLN  84  -6.584 -14.680  -9.398
  645   2HE2  GLN  84          HE21      GLN  84  -6.272 -13.455  -8.264
  646    H    LYS  85           HN       LYS  85  -1.348 -10.752  -7.957
  647    HA   LYS  85           HA       LYS  85  -2.069  -8.050  -7.037
  648   1HB   LYS  85           HB2      LYS  85   0.269  -8.707  -7.611
  649   2HB   LYS  85           HB1      LYS  85  -0.227  -8.937  -9.286
  650   1HG   LYS  85           HG2      LYS  85  -0.930  -6.554  -9.379
  651   2HG   LYS  85           HG1      LYS  85  -0.349  -6.338  -7.727
  652   1HD   LYS  85           HD2      LYS  85   1.918  -7.078  -8.464
  653   2HD   LYS  85           HD1      LYS  85   1.320  -7.165 -10.122
  654   1HE   LYS  85           HE2      LYS  85   0.601  -4.710  -9.798
  655   2HE   LYS  85           HE1      LYS  85   1.648  -4.723  -8.378
  656   1HZ   LYS  85           HZ1      LYS  85   2.619  -5.645 -11.011
  657   2HZ   LYS  85           HZ3      LYS  85   2.652  -4.003 -10.588
  658   3HZ   LYS  85           HZ2      LYS  85   3.523  -5.133  -9.665
  659    H    VAL  86           HN       VAL  86  -3.542  -6.739  -8.004
  660    HA   VAL  86           HA       VAL  86  -4.544  -7.494 -10.729
  661    HB   VAL  86           HB       VAL  86  -6.754  -6.617  -9.992
  662   1HG1  VAL  86          HG12      VAL  86  -5.985  -9.070  -9.765
  663   2HG1  VAL  86          HG11      VAL  86  -5.797  -8.726  -8.044
  664   3HG1  VAL  86          HG13      VAL  86  -7.380  -8.578  -8.806
  665   1HG2  VAL  86          HG22      VAL  86  -5.909  -5.112  -8.214
  666   2HG2  VAL  86          HG21      VAL  86  -7.115  -6.233  -7.583
  667   3HG2  VAL  86          HG23      VAL  86  -5.403  -6.515  -7.272
  668    H    GLY  87           HN       GLY  87  -2.729  -5.178  -9.221
  669   1HA   GLY  87           HA2      GLY  87  -2.932  -3.341 -11.365
  670   2HA   GLY  87           HA1      GLY  87  -4.041  -2.776 -10.123
  671    H    GLU  88           HN       GLU  88  -1.827  -1.287 -10.980
  672    HA   GLU  88           HA       GLU  88  -0.570  -0.754  -8.432
  673   1HB   GLU  88           HB2      GLU  88   0.923  -2.546  -9.028
  674   2HB   GLU  88           HB1      GLU  88   1.099  -1.926 -10.665
  675   1HG   GLU  88           HG2      GLU  88   2.294   0.022  -9.864
  676   2HG   GLU  88           HG1      GLU  88   1.948  -0.403  -8.186
  677    H    PHE  89           HN       PHE  89   0.535   1.272  -8.436
  678    HA   PHE  89           HA       PHE  89   1.006   2.729 -10.875
  679   1HB   PHE  89           HB2      PHE  89  -0.720   4.320 -10.916
  680   2HB   PHE  89           HB1      PHE  89  -1.558   2.801 -10.631
  681    HD1  PHE  89           HD1      PHE  89  -0.201   5.838  -8.946
  682    HD2  PHE  89           HD2      PHE  89  -2.860   2.480  -8.672
  683    HE1  PHE  89           HE1      PHE  89  -1.206   6.804  -6.889
  684    HE2  PHE  89           HE2      PHE  89  -3.865   3.440  -6.619
  685    HZ   PHE  89           HZ       PHE  89  -3.045   5.607  -5.730
  686    H    SER  90           HN       SER  90   1.895   4.860 -10.485
  687    HA   SER  90           HA       SER  90   2.821   5.262  -7.655
  688   1HB   SER  90           HB2      SER  90   4.981   5.992  -8.573
  689   2HB   SER  90           HB1      SER  90   4.626   4.324  -9.033
  690    HG   SER  90           HG       SER  90   3.666   6.259 -10.756
  691    H    GLY  91           HN       GLY  91   3.552   7.456  -7.215
  692   1HA   GLY  91           HA2      GLY  91   3.667   9.817  -8.049
  693   2HA   GLY  91           HA1      GLY  91   2.130   9.532  -8.861
  694    H    ALA  92           HN       ALA  92   2.938  11.437  -6.655
  695    HA   ALA  92           HA       ALA  92   1.571  10.557  -4.252
  696   1HB   ALA  92           HB2      ALA  92   2.536  13.241  -5.263
  697   2HB   ALA  92           HB1      ALA  92   1.778  13.037  -3.687
  698   3HB   ALA  92           HB3      ALA  92   3.298  12.215  -4.051
  699    H    ASN  93           HN       ASN  93  -0.424   9.924  -5.748
  700    HA   ASN  93           HA       ASN  93  -2.323  12.251  -5.813
  701   1HB   ASN  93           HB2      ASN  93  -1.746  11.265  -8.080
  702   2HB   ASN  93           HB1      ASN  93  -2.514   9.772  -7.539
  703   1HD2  ASN  93          HD22      ASN  93  -5.381  12.546  -7.147
  704   2HD2  ASN  93          HD21      ASN  93  -4.096  12.376  -6.051
  705    H    LYS  94           HN       LYS  94  -3.039  11.834  -3.656
  706    HA   LYS  94           HA       LYS  94  -3.765   9.223  -2.701
  707   1HB   LYS  94           HB2      LYS  94  -5.048  10.512  -0.979
  708   2HB   LYS  94           HB1      LYS  94  -3.355  10.965  -1.107
  709   1HG   LYS  94           HG2      LYS  94  -5.069  12.540  -2.920
  710   2HG   LYS  94           HG1      LYS  94  -5.554  12.720  -1.241
  711   1HD   LYS  94           HD2      LYS  94  -3.146  13.236  -0.687
  712   2HD   LYS  94           HD1      LYS  94  -2.816  13.244  -2.423
  713   1HE   LYS  94           HE2      LYS  94  -4.576  14.987  -2.708
  714   2HE   LYS  94           HE1      LYS  94  -4.788  15.014  -0.957
  715   1HZ   LYS  94           HZ1      LYS  94  -2.414  15.585  -0.763
  716   2HZ   LYS  94           HZ3      LYS  94  -2.309  15.676  -2.454
  717   3HZ   LYS  94           HZ2      LYS  94  -3.303  16.763  -1.604
  718    H    GLU  95           HN       GLU  95  -5.623  11.677  -4.479
  719    HA   GLU  95           HA       GLU  95  -8.195  10.537  -3.967
  720   1HB   GLU  95           HB2      GLU  95  -7.246  12.146  -6.357
  721   2HB   GLU  95           HB1      GLU  95  -8.929  11.828  -5.943
  722   1HG   GLU  95           HG2      GLU  95  -6.972  13.200  -4.089
  723   2HG   GLU  95           HG1      GLU  95  -8.095  14.063  -5.137
  724    H    LYS  96           HN       LYS  96  -5.667   9.750  -6.231
  725    HA   LYS  96           HA       LYS  96  -7.147   8.195  -8.084
  726   1HB   LYS  96           HB2      LYS  96  -4.728   8.951  -8.202
  727   2HB   LYS  96           HB1      LYS  96  -4.341   7.628  -7.119
  728   1HG   LYS  96           HG2      LYS  96  -5.004   5.982  -8.681
  729   2HG   LYS  96           HG1      LYS  96  -5.848   7.158  -9.690
  730   1HD   LYS  96           HD2      LYS  96  -3.706   8.238 -10.242
  731   2HD   LYS  96           HD1      LYS  96  -2.853   7.069  -9.231
  732   1HE   LYS  96           HE2      LYS  96  -4.578   6.348 -11.623
  733   2HE   LYS  96           HE1      LYS  96  -2.817   6.433 -11.647
  734   1HZ   LYS  96           HZ1      LYS  96  -3.339   4.868  -9.500
  735   2HZ   LYS  96           HZ3      LYS  96  -4.539   4.387 -10.598
  736   3HZ   LYS  96           HZ2      LYS  96  -2.900   4.306 -11.041
  737    H    LEU  97           HN       LEU  97  -5.793   7.425  -4.925
  738    HA   LEU  97           HA       LEU  97  -6.113   4.610  -4.942
  739   1HB   LEU  97           HB2      LEU  97  -6.336   6.694  -2.766
  740   2HB   LEU  97           HB1      LEU  97  -6.484   4.982  -2.417
  741    HG   LEU  97           HG       LEU  97  -4.099   6.241  -3.788
  742   1HD1  LEU  97          HD13      LEU  97  -4.629   5.548  -0.891
  743   2HD1  LEU  97          HD12      LEU  97  -3.009   5.825  -1.530
  744   3HD1  LEU  97          HD11      LEU  97  -4.203   7.124  -1.559
  745   1HD2  LEU  97          HD22      LEU  97  -4.826   3.451  -2.897
  746   2HD2  LEU  97          HD21      LEU  97  -3.974   3.970  -4.347
  747   3HD2  LEU  97          HD23      LEU  97  -3.149   3.951  -2.800
  748    H    GLU  98           HN       GLU  98  -8.360   7.229  -4.240
  749    HA   GLU  98           HA       GLU  98 -10.526   5.619  -3.286
  750   1HB   GLU  98           HB2      GLU  98 -10.430   8.086  -3.048
  751   2HB   GLU  98           HB1      GLU  98 -10.702   8.252  -4.782
  752   1HG   GLU  98           HG2      GLU  98 -12.865   7.043  -4.537
  753   2HG   GLU  98           HG1      GLU  98 -12.598   6.954  -2.796
  754    H    ALA  99           HN       ALA  99  -9.779   6.708  -6.603
  755    HA   ALA  99           HA       ALA  99 -12.155   5.537  -7.733
  756   1HB   ALA  99           HB3      ALA  99  -9.506   6.295  -8.984
  757   2HB   ALA  99           HB2      ALA  99 -10.903   5.742  -9.910
  758   3HB   ALA  99           HB1      ALA  99 -10.998   7.237  -8.978
  759    H    THR 100           HN       THR 100  -8.819   4.289  -7.450
  760    HA   THR 100           HA       THR 100  -9.343   1.908  -8.940
  761    HB   THR 100           HB       THR 100  -7.316   2.187  -6.709
  762    HG1  THR 100           HG1      THR 100  -7.460   3.230  -9.297
  763   1HG2  THR 100          HG21      THR 100  -7.491   0.507  -9.225
  764   2HG2  THR 100          HG23      THR 100  -6.080   0.582  -8.171
  765   3HG2  THR 100          HG22      THR 100  -7.601  -0.069  -7.564
  766    H    ILE 101           HN       ILE 101  -9.656   2.618  -5.478
  767    HA   ILE 101           HA       ILE 101 -10.238  -0.047  -4.583
  768    HB   ILE 101           HB       ILE 101 -11.133   2.675  -3.567
  769   1HG1  ILE 101          HG12      ILE 101  -9.165   0.746  -2.317
  770   2HG1  ILE 101          HG11      ILE 101  -8.657   1.913  -3.538
  771   1HG2  ILE 101          HG21      ILE 101 -11.560  -0.095  -2.417
  772   2HG2  ILE 101          HG23      ILE 101 -11.622   1.364  -1.427
  773   3HG2  ILE 101          HG22      ILE 101 -12.774   1.143  -2.742
  774   1HD1  ILE 101          HD13      ILE 101  -9.588   3.745  -2.142
  775   2HD1  ILE 101          HD12      ILE 101 -10.025   2.562  -0.910
  776   3HD1  ILE 101          HD11      ILE 101  -8.327   2.848  -1.294
  777    H    ASN 102           HN       ASN 102 -12.363   2.604  -5.647
  778    HA   ASN 102           HA       ASN 102 -14.828   1.192  -5.431
  779   1HB   ASN 102           HB2      ASN 102 -14.611   3.664  -5.809
  780   2HB   ASN 102           HB1      ASN 102 -14.079   3.328  -7.458
  781   1HD2  ASN 102          HD22      ASN 102 -17.996   3.446  -6.696
  782   2HD2  ASN 102          HD21      ASN 102 -16.809   4.048  -5.644
  783    H    GLU 103           HN       GLU 103 -12.399   1.390  -7.953
  784    HA   GLU 103           HA       GLU 103 -13.877   0.036  -9.991
  785   1HB   GLU 103           HB2      GLU 103 -11.718   1.462 -10.152
  786   2HB   GLU 103           HB1      GLU 103 -10.872  -0.012  -9.688
  787   1HG   GLU 103           HG2      GLU 103 -12.766   0.170 -12.049
  788   2HG   GLU 103           HG1      GLU 103 -11.011   0.290 -12.171
  789    H    LEU 104           HN       LEU 104 -11.664  -1.138  -7.446
  790    HA   LEU 104           HA       LEU 104 -12.121  -3.941  -8.362
  791   1HB   LEU 104           HB2      LEU 104 -10.196  -2.762  -6.351
  792   2HB   LEU 104           HB1      LEU 104 -10.311  -4.481  -6.709
  793    HG   LEU 104           HG       LEU 104  -9.758  -2.361  -8.807
  794   1HD1  LEU 104          HD12      LEU 104  -7.834  -4.068  -7.218
  795   2HD1  LEU 104          HD11      LEU 104  -7.388  -3.143  -8.651
  796   3HD1  LEU 104          HD13      LEU 104  -7.947  -2.315  -7.200
  797   1HD2  LEU 104          HD23      LEU 104  -9.761  -5.384  -8.757
  798   2HD2  LEU 104          HD22      LEU 104 -10.483  -4.302  -9.944
  799   3HD2  LEU 104          HD21      LEU 104  -8.738  -4.524  -9.906
  800    H    VAL 105           HN       VAL 105 -13.572  -1.823  -6.174
  801    HA   VAL 105           HA       VAL 105 -13.861  -3.547  -3.897
  802    HB   VAL 105           HB       VAL 105 -14.463  -1.056  -4.009
  803   1HG1  VAL 105          HG13      VAL 105 -16.003  -1.548  -6.075
  804   2HG1  VAL 105          HG12      VAL 105 -17.196  -1.991  -4.857
  805   3HG1  VAL 105          HG11      VAL 105 -16.521  -0.360  -4.881
  806   1HG2  VAL 105          HG23      VAL 105 -14.959  -2.498  -2.071
  807   2HG2  VAL 105          HG22      VAL 105 -16.247  -1.321  -2.325
  808   3HG2  VAL 105          HG21      VAL 105 -16.471  -2.995  -2.828
  809    HA   PRO  59           HA       PRO 106  14.190  15.876 -14.061
  810   1HB   PRO  59           HB2      PRO 106  16.719  15.755 -12.454
  811   2HB   PRO  59           HB1      PRO 106  16.397  15.157 -14.095
  812   1HG   PRO  59           HG2      PRO 106  17.805  17.383 -13.700
  813   2HG   PRO  59           HG1      PRO 106  16.668  17.244 -15.052
  814   1HD   PRO  59           HD2      PRO 106  16.360  18.760 -12.487
  815   2HD   PRO  59           HD1      PRO 106  15.750  19.157 -14.109
  816    H    ALA  60           HN       ALA 107  14.817  16.974 -10.743
  817    HA   ALA  60           HA       ALA 107  13.864  14.378  -9.645
  818   1HB   ALA  60           HB1      ALA 107  14.990  16.882  -8.359
  819   2HB   ALA  60           HB3      ALA 107  14.382  15.511  -7.433
  820   3HB   ALA  60           HB2      ALA 107  15.772  15.306  -8.500
  821    H    THR  61           HN       THR 108  11.755  14.121  -9.077
  822    HA   THR  61           HA       THR 108  10.018  16.567  -8.915
  823    HB   THR  61           HB       THR 108   9.178  13.693  -9.387
  824    HG1  THR  61           HG1      THR 108  10.398  15.454 -11.002
  825   1HG2  THR  61          HG21      THR 108   7.474  15.293  -8.501
  826   2HG2  THR  61          HG23      THR 108   7.761  16.321  -9.903
  827   3HG2  THR  61          HG22      THR 108   7.090  14.703 -10.116
  828    H    LEU  62           HN       LEU 109   9.144  17.051  -6.972
  829    HA   LEU  62           HA       LEU 109   9.770  15.579  -4.598
  830   1HB   LEU  62           HB2      LEU 109   7.725  17.743  -5.164
  831   2HB   LEU  62           HB1      LEU 109   8.034  17.114  -3.548
  832    HG   LEU  62           HG       LEU 109  10.264  18.196  -5.286
  833   1HD1  LEU  62          HD13      LEU 109   8.550  19.737  -3.314
  834   2HD1  LEU  62          HD12      LEU 109  10.011  20.347  -4.089
  835   3HD1  LEU  62          HD11      LEU 109   8.588  19.976  -5.061
  836   1HD2  LEU  62          HD23      LEU 109   9.914  17.625  -2.329
  837   2HD2  LEU  62          HD22      LEU 109  11.142  16.993  -3.425
  838   3HD2  LEU  62          HD21      LEU 109  11.194  18.679  -2.924
  839    H    LYS  63           HN       LYS 110   7.050  15.476  -6.801
  840    HA   LYS  63           HA       LYS 110   5.144  14.136  -5.176
  841   1HB   LYS  63           HB2      LYS 110   5.658  13.822  -8.155
  842   2HB   LYS  63           HB1      LYS 110   4.195  13.312  -7.316
  843   1HG   LYS  63           HG2      LYS 110   5.136  16.167  -7.135
  844   2HG   LYS  63           HG1      LYS 110   4.200  15.626  -8.524
  845   1HD   LYS  63           HD2      LYS 110   2.416  14.834  -6.965
  846   2HD   LYS  63           HD1      LYS 110   3.337  15.505  -5.615
  847   1HE   LYS  63           HE2      LYS 110   1.712  17.167  -6.266
  848   2HE   LYS  63           HE1      LYS 110   3.292  17.732  -6.808
  849   1HZ   LYS  63           HZ2      LYS 110   1.786  16.076  -8.672
  850   2HZ   LYS  63           HZ1      LYS 110   1.186  17.641  -8.397
  851   3HZ   LYS  63           HZ3      LYS 110   2.769  17.430  -8.968
  852    H    ILE  64           HN       ILE 111   8.107  13.036  -6.581
  853    HA   ILE  64           HA       ILE 111   7.551  10.236  -5.636
  854    HB   ILE  64           HB       ILE 111   8.989  11.127  -8.162
  855   1HG1  ILE  64          HG12      ILE 111   6.558  11.049  -8.417
  856   2HG1  ILE  64          HG11      ILE 111   7.297   9.719  -9.298
  857   1HG2  ILE  64          HG22      ILE 111   8.798   8.407  -6.865
  858   2HG2  ILE  64          HG21      ILE 111   9.265   8.646  -8.548
  859   3HG2  ILE  64          HG23      ILE 111  10.263   9.305  -7.253
  860   1HD1  ILE  64          HD13      ILE 111   6.867   8.410  -7.011
  861   2HD1  ILE  64          HD12      ILE 111   5.632   9.648  -6.811
  862   3HD1  ILE  64          HD11      ILE 111   5.595   8.584  -8.215
  863    H    CYS  65           HN       CYS 112   9.303   9.291  -4.479
  864    HA   CYS  65           HA       CYS 112  11.605  11.092  -3.918
  865   1HB   CYS  65           HB2      CYS 112  10.870   8.468  -2.577
  866   2HB   CYS  65           HB1      CYS 112  12.129   9.574  -2.056
  867    H    SER  66           HN       SER 113  13.625  10.603  -4.789
  868    HA   SER  66           HA       SER 113  13.779   8.406  -6.711
  869   1HB   SER  66           HB2      SER 113  15.902  10.357  -5.783
  870   2HB   SER  66           HB1      SER 113  16.061   9.244  -7.138
  871    HG   SER  66           HG       SER 113  15.288  10.970  -8.128
  872    H    TRP  67           HN       TRP 114  14.903   6.494  -6.518
  873    HA   TRP  67           HA       TRP 114  15.662   5.638  -3.831
  874   1HB   TRP  67           HB2      TRP 114  15.803   4.247  -6.521
  875   2HB   TRP  67           HB1      TRP 114  16.307   3.500  -5.003
  876    HD1  TRP  67           HD1      TRP 114  13.204   5.541  -6.083
  877    HE1  TRP  67           HE1      TRP 114  11.113   4.335  -5.196
  878    HE3  TRP  67           HE3      TRP 114  15.382   1.540  -3.810
  879    HZ2  TRP  67           HZ2      TRP 114  10.468   1.995  -3.705
  880    HZ3  TRP  67           HZ3      TRP 114  14.017  -0.160  -2.662
  881    HH2  TRP  67           HH2      TRP 114  11.557   0.064  -2.614
  882    H    ASN  68           HN       ASN 115  17.201   7.315  -6.312
  883    HA   ASN  68           HA       ASN 115  19.824   6.283  -6.348
  884   1HB   ASN  68           HB2      ASN 115  18.857   9.162  -6.437
  885   2HB   ASN  68           HB1      ASN 115  20.515   8.670  -6.794
  886   1HD2  ASN  68          HD22      ASN 115  18.329   6.588  -9.414
  887   2HD2  ASN  68          HD21      ASN 115  18.493   6.165  -7.778
  888    H    VAL  69           HN       VAL 116  18.046   7.510  -3.730
  889    HA   VAL  69           HA       VAL 116  20.074   8.771  -2.167
  890    HB   VAL  69           HB       VAL 116  18.623   8.169  -0.213
  891   1HG1  VAL  69          HG12      VAL 116  17.384   9.302  -2.728
  892   2HG1  VAL  69          HG11      VAL 116  16.544   9.311  -1.178
  893   3HG1  VAL  69          HG13      VAL 116  18.064  10.184  -1.360
  894   1HG2  VAL  69          HG22      VAL 116  17.153   6.614  -2.362
  895   2HG2  VAL  69          HG21      VAL 116  17.805   5.988  -0.850
  896   3HG2  VAL  69          HG23      VAL 116  16.411   7.066  -0.833
  897    H    ASP  70           HN       ASP 117  21.746   7.933  -0.952
  898    HA   ASP  70           HA       ASP 117  22.624   5.258  -1.368
  899   1HB   ASP  70           HB2      ASP 117  23.321   7.255   0.805
  900   2HB   ASP  70           HB1      ASP 117  24.124   5.696   0.630
  901    H    GLY  71           HN       GLY 118  20.749   6.711   1.294
  902   1HA   GLY  71           HA2      GLY 118  19.294   5.619   2.806
  903   2HA   GLY  71           HA1      GLY 118  19.596   4.113   1.935
   
  No H/Q in entry =         903
  Start of MODEL   22
    1   1H    MET   1           HT3      MET   1  -8.784  -0.920   9.737
    2   2H    MET   1           HT2      MET   1  -9.468  -1.208  11.264
    3   3H    MET   1           HT1      MET   1  -9.223   0.384  10.728
    4    HA   MET   1           HA       MET   1  -7.288   0.378  11.769
    5   1HB   MET   1           HB2      MET   1  -7.699  -2.621  11.985
    6   2HB   MET   1           HB1      MET   1  -6.420  -1.727  12.805
    7   1HG   MET   1           HG2      MET   1  -9.380  -1.157  13.134
    8   2HG   MET   1           HG1      MET   1  -8.430  -2.128  14.256
    9   1HE   MET   1           HE2      MET   1  -7.059  -1.396  15.997
   10   2HE   MET   1           HE1      MET   1  -5.774  -0.920  14.890
   11   3HE   MET   1           HE3      MET   1  -6.273   0.169  16.192
   12    H    VAL   2           HN       VAL   2  -5.045   0.142  11.240
   13    HA   VAL   2           HA       VAL   2  -4.590  -0.846   8.460
   14    HB   VAL   2           HB       VAL   2  -2.969   0.974  10.277
   15   1HG1  VAL   2          HG11      VAL   2  -2.423  -0.135   7.516
   16   2HG1  VAL   2          HG13      VAL   2  -1.673   1.355   8.089
   17   3HG1  VAL   2          HG12      VAL   2  -1.367  -0.165   8.929
   18   1HG2  VAL   2          HG23      VAL   2  -5.165   1.755   9.121
   19   2HG2  VAL   2          HG22      VAL   2  -3.723   2.741   8.892
   20   3HG2  VAL   2          HG21      VAL   2  -4.246   1.640   7.620
   21    H    LYS   3           HN       LYS   3  -2.478  -1.958   8.049
   22    HA   LYS   3           HA       LYS   3  -1.493  -3.550  10.388
   23   1HB   LYS   3           HB2      LYS   3  -3.050  -4.871   8.894
   24   2HB   LYS   3           HB1      LYS   3  -1.934  -4.585   7.566
   25   1HG   LYS   3           HG2      LYS   3  -1.332  -6.724   8.392
   26   2HG   LYS   3           HG1      LYS   3  -0.124  -5.637   9.066
   27   1HD   LYS   3           HD2      LYS   3  -1.194  -5.635  11.211
   28   2HD   LYS   3           HD1      LYS   3  -2.642  -6.408  10.563
   29   1HE   LYS   3           HE2      LYS   3  -1.298  -8.070  11.748
   30   2HE   LYS   3           HE1      LYS   3  -1.267  -8.422  10.019
   31   1HZ   LYS   3           HZ2      LYS   3   0.812  -6.850  11.432
   32   2HZ   LYS   3           HZ1      LYS   3   0.939  -8.512  11.102
   33   3HZ   LYS   3           HZ3      LYS   3   0.860  -7.398   9.824
   34    H    GLN   4           HN       GLN   4   0.699  -3.287  10.580
   35    HA   GLN   4           HA       GLN   4   2.195  -2.100   8.295
   36   1HB   GLN   4           HB2      GLN   4   2.418  -1.092  10.557
   37   2HB   GLN   4           HB1      GLN   4   3.075  -2.619  11.153
   38   1HG   GLN   4           HG2      GLN   4   4.957  -2.454   9.584
   39   2HG   GLN   4           HG1      GLN   4   4.282  -0.972   8.904
   40   1HE2  GLN   4          HE22      GLN   4   6.483   0.618  11.233
   41   2HE2  GLN   4          HE21      GLN   4   6.284   0.187   9.605
   42    H    ILE   5           HN       ILE   5   3.369  -3.410   7.003
   43    HA   ILE   5           HA       ILE   5   3.992  -6.184   7.913
   44    HB   ILE   5           HB       ILE   5   4.270  -4.994   5.147
   45   1HG1  ILE   5          HG12      ILE   5   1.945  -4.760   5.805
   46   2HG1  ILE   5          HG11      ILE   5   2.086  -6.111   4.681
   47   1HG2  ILE   5          HG21      ILE   5   4.230  -7.797   6.264
   48   2HG2  ILE   5          HG23      ILE   5   3.971  -7.448   4.561
   49   3HG2  ILE   5          HG22      ILE   5   5.502  -7.020   5.318
   50   1HD1  ILE   5          HD12      ILE   5   2.306  -7.594   6.808
   51   2HD1  ILE   5          HD11      ILE   5   1.670  -6.196   7.672
   52   3HD1  ILE   5          HD13      ILE   5   0.712  -6.962   6.408
   53    H    GLU   6           HN       GLU   6   6.001  -6.281   8.859
   54    HA   GLU   6           HA       GLU   6   8.116  -4.414   7.912
   55   1HB   GLU   6           HB2      GLU   6   8.084  -6.338  10.255
   56   2HB   GLU   6           HB1      GLU   6   9.353  -5.162   9.898
   57   1HG   GLU   6           HG2      GLU   6   6.464  -4.373  10.331
   58   2HG   GLU   6           HG1      GLU   6   7.653  -4.418  11.631
   59    H    SER   7           HN       SER   7   7.055  -7.447   7.053
   60    HA   SER   7           HA       SER   7   9.676  -8.055   5.830
   61   1HB   SER   7           HB2      SER   7   9.762 -10.345   6.762
   62   2HB   SER   7           HB1      SER   7   9.863  -9.127   8.040
   63    HG   SER   7           HG       SER   7   7.322  -9.555   7.697
   64    H    LYS   8           HN       LYS   8   9.519  -9.731   4.173
   65    HA   LYS   8           HA       LYS   8   7.028  -9.724   2.722
   66   1HB   LYS   8           HB2      LYS   8   9.348 -10.182   1.731
   67   2HB   LYS   8           HB1      LYS   8   9.227 -11.790   2.446
   68   1HG   LYS   8           HG2      LYS   8   6.951 -11.958   1.231
   69   2HG   LYS   8           HG1      LYS   8   7.500 -10.574   0.296
   70   1HD   LYS   8           HD2      LYS   8   9.022 -13.183   0.561
   71   2HD   LYS   8           HD1      LYS   8   8.006 -12.748  -0.812
   72   1HE   LYS   8           HE2      LYS   8   9.439 -10.641  -1.016
   73   2HE   LYS   8           HE1      LYS   8  10.559 -11.420   0.099
   74   1HZ   LYS   8           HZ2      LYS   8  10.596 -13.337  -1.448
   75   2HZ   LYS   8           HZ1      LYS   8   9.686 -12.425  -2.552
   76   3HZ   LYS   8           HZ3      LYS   8  11.241 -11.916  -2.114
   77    H    THR   9           HN       THR   9   8.504 -11.845   5.083
   78    HA   THR   9           HA       THR   9   6.870 -14.116   4.756
   79    HB   THR   9           HB       THR   9   7.873 -12.978   7.379
   80    HG1  THR   9           HG1      THR   9   9.117 -14.886   5.700
   81   1HG2  THR   9          HG21      THR   9   6.953 -15.710   6.489
   82   2HG2  THR   9          HG23      THR   9   7.956 -15.478   7.920
   83   3HG2  THR   9          HG22      THR   9   6.351 -14.748   7.838
   84    H    ALA  10           HN       ALA  10   6.303 -11.240   6.792
   85    HA   ALA  10           HA       ALA  10   3.667 -12.088   7.640
   86   1HB   ALA  10           HB1      ALA  10   5.148  -9.461   7.650
   87   2HB   ALA  10           HB3      ALA  10   3.442  -9.519   8.096
   88   3HB   ALA  10           HB2      ALA  10   4.630 -10.436   9.026
   89    H    PHE  11           HN       PHE  11   4.909 -10.306   4.872
   90    HA   PHE  11           HA       PHE  11   2.498  -9.125   3.943
   91   1HB   PHE  11           HB2      PHE  11   4.842  -8.801   3.003
   92   2HB   PHE  11           HB1      PHE  11   4.671 -10.361   2.225
   93    HD1  PHE  11           HD1      PHE  11   2.729  -7.155   2.595
   94    HD2  PHE  11           HD2      PHE  11   3.889 -10.407   0.034
   95    HE1  PHE  11           HE1      PHE  11   1.534  -6.101   0.697
   96    HE2  PHE  11           HE2      PHE  11   2.692  -9.351  -1.854
   97    HZ   PHE  11           HZ       PHE  11   1.516  -7.202  -1.525
   98    H    GLN  12           HN       GLN  12   3.879 -12.341   3.300
   99    HA   GLN  12           HA       GLN  12   1.777 -13.216   1.544
  100   1HB   GLN  12           HB2      GLN  12   3.536 -14.852   3.413
  101   2HB   GLN  12           HB1      GLN  12   2.636 -15.473   2.028
  102   1HG   GLN  12           HG2      GLN  12   4.820 -13.364   1.869
  103   2HG   GLN  12           HG1      GLN  12   5.041 -15.076   1.503
  104   1HE2  GLN  12          HE22      GLN  12   3.734 -12.747  -1.416
  105   2HE2  GLN  12          HE21      GLN  12   4.560 -12.206  -0.037
  106    H    GLU  13           HN       GLU  13   2.265 -13.405   5.050
  107    HA   GLU  13           HA       GLU  13  -0.087 -14.921   5.678
  108   1HB   GLU  13           HB2      GLU  13   1.506 -12.929   7.315
  109   2HB   GLU  13           HB1      GLU  13   0.274 -13.987   7.982
  110   1HG   GLU  13           HG2      GLU  13   2.721 -14.949   6.488
  111   2HG   GLU  13           HG1      GLU  13   2.585 -14.901   8.246
  112    H    ALA  14           HN       ALA  14   0.505 -11.472   5.316
  113    HA   ALA  14           HA       ALA  14  -2.041 -10.618   6.336
  114   1HB   ALA  14           HB1      ALA  14   0.076  -9.212   5.957
  115   2HB   ALA  14           HB3      ALA  14  -0.394  -9.162   4.258
  116   3HB   ALA  14           HB2      ALA  14  -1.453  -8.467   5.487
  117    H    LEU  15           HN       LEU  15  -0.842 -11.320   3.063
  118    HA   LEU  15           HA       LEU  15  -3.240 -10.653   1.680
  119   1HB   LEU  15           HB2      LEU  15  -1.078 -12.689   1.067
  120   2HB   LEU  15           HB1      LEU  15  -2.360 -12.253  -0.062
  121    HG   LEU  15           HG       LEU  15  -0.467 -10.248   1.183
  122   1HD1  LEU  15          HD13      LEU  15  -0.283 -11.800  -1.400
  123   2HD1  LEU  15          HD12      LEU  15   0.536 -10.259  -1.184
  124   3HD1  LEU  15          HD11      LEU  15   0.937 -11.620  -0.141
  125   1HD2  LEU  15          HD22      LEU  15  -2.666 -10.114  -0.870
  126   2HD2  LEU  15          HD21      LEU  15  -2.264  -8.984   0.418
  127   3HD2  LEU  15          HD23      LEU  15  -1.287  -9.033  -1.042
  128    H    ASP  16           HN       ASP  16  -2.136 -13.616   3.277
  129    HA   ASP  16           HA       ASP  16  -4.394 -15.215   2.468
  130   1HB   ASP  16           HB2      ASP  16  -2.135 -16.033   3.402
  131   2HB   ASP  16           HB1      ASP  16  -2.780 -15.631   4.995
  132    H    ALA  17           HN       ALA  17  -3.796 -13.041   5.193
  133    HA   ALA  17           HA       ALA  17  -6.142 -13.874   6.683
  134   1HB   ALA  17           HB2      ALA  17  -4.338 -11.458   6.854
  135   2HB   ALA  17           HB1      ALA  17  -5.717 -11.689   7.927
  136   3HB   ALA  17           HB3      ALA  17  -4.390 -12.851   7.935
  137    H    ALA  18           HN       ALA  18  -5.494 -11.316   4.317
  138    HA   ALA  18           HA       ALA  18  -7.922  -9.857   4.661
  139   1HB   ALA  18           HB3      ALA  18  -6.111 -10.261   2.275
  140   2HB   ALA  18           HB2      ALA  18  -7.532  -9.219   2.214
  141   3HB   ALA  18           HB1      ALA  18  -6.218  -8.852   3.330
  142    H    GLY  19           HN       GLY  19  -7.197 -12.838   2.965
  143   1HA   GLY  19           HA2      GLY  19  -8.642 -14.442   2.058
  144   2HA   GLY  19           HA1      GLY  19  -9.974 -13.588   2.841
  145    H    ASP  20           HN       ASP  20 -11.463 -13.064   1.313
  146    HA   ASP  20           HA       ASP  20 -10.596 -12.471  -1.454
  147   1HB   ASP  20           HB2      ASP  20 -13.373 -12.740  -0.265
  148   2HB   ASP  20           HB1      ASP  20 -12.999 -12.570  -1.979
  149    H    LYS  21           HN       LYS  21 -10.816 -10.650   1.250
  150    HA   LYS  21           HA       LYS  21 -12.369  -8.388   0.263
  151   1HB   LYS  21           HB2      LYS  21 -10.357  -8.652   2.520
  152   2HB   LYS  21           HB1      LYS  21 -11.252  -7.172   2.171
  153   1HG   LYS  21           HG2      LYS  21 -13.379  -8.568   2.361
  154   2HG   LYS  21           HG1      LYS  21 -12.368  -9.847   3.038
  155   1HD   LYS  21           HD2      LYS  21 -11.623  -8.362   4.828
  156   2HD   LYS  21           HD1      LYS  21 -12.529  -7.020   4.124
  157   1HE   LYS  21           HE2      LYS  21 -13.841  -7.956   5.936
  158   2HE   LYS  21           HE1      LYS  21 -14.626  -8.361   4.411
  159   1HZ   LYS  21           HZ2      LYS  21 -12.677 -10.206   5.624
  160   2HZ   LYS  21           HZ1      LYS  21 -14.299 -10.207   6.136
  161   3HZ   LYS  21           HZ3      LYS  21 -13.918 -10.543   4.518
  162    H    LEU  22           HN       LEU  22 -11.485  -6.360  -0.510
  163    HA   LEU  22           HA       LEU  22  -9.287  -6.614  -2.293
  164   1HB   LEU  22           HB2      LEU  22 -11.281  -4.743  -1.863
  165   2HB   LEU  22           HB1      LEU  22  -9.869  -3.881  -1.269
  166    HG   LEU  22           HG       LEU  22 -10.263  -5.043  -4.035
  167   1HD1  LEU  22          HD11      LEU  22 -10.606  -2.366  -2.835
  168   2HD1  LEU  22          HD13      LEU  22  -9.539  -2.342  -4.235
  169   3HD1  LEU  22          HD12      LEU  22 -11.170  -2.985  -4.379
  170   1HD2  LEU  22          HD22      LEU  22  -7.802  -3.941  -2.673
  171   2HD2  LEU  22          HD21      LEU  22  -7.947  -5.397  -3.660
  172   3HD2  LEU  22          HD23      LEU  22  -7.988  -3.808  -4.414
  173    H    VAL  23           HN       VAL  23  -7.126  -5.581  -2.063
  174    HA   VAL  23           HA       VAL  23  -6.303  -4.923   0.710
  175    HB   VAL  23           HB       VAL  23  -4.877  -6.968  -1.029
  176   1HG1  VAL  23          HG11      VAL  23  -4.285  -5.699   1.652
  177   2HG1  VAL  23          HG13      VAL  23  -3.603  -7.262   1.204
  178   3HG1  VAL  23          HG12      VAL  23  -3.229  -5.830   0.245
  179   1HG2  VAL  23          HG22      VAL  23  -6.487  -7.265   1.522
  180   2HG2  VAL  23          HG21      VAL  23  -6.918  -7.903  -0.065
  181   3HG2  VAL  23          HG23      VAL  23  -5.518  -8.544   0.795
  182    H    VAL  24           HN       VAL  24  -5.290  -3.011   0.543
  183    HA   VAL  24           HA       VAL  24  -3.897  -2.334  -2.014
  184    HB   VAL  24           HB       VAL  24  -4.763  -0.476   0.235
  185   1HG1  VAL  24          HG11      VAL  24  -2.884   0.229  -1.342
  186   2HG1  VAL  24          HG13      VAL  24  -4.076   0.172  -2.643
  187   3HG1  VAL  24          HG12      VAL  24  -4.287   1.299  -1.302
  188   1HG2  VAL  24          HG22      VAL  24  -6.143  -1.338  -2.309
  189   2HG2  VAL  24          HG21      VAL  24  -6.784  -1.343  -0.669
  190   3HG2  VAL  24          HG23      VAL  24  -6.533   0.184  -1.514
  191    H    VAL  25           HN       VAL  25  -1.667  -1.859  -1.920
  192    HA   VAL  25           HA       VAL  25  -0.364  -2.078   0.790
  193    HB   VAL  25           HB       VAL  25   0.775  -3.009  -1.856
  194   1HG1  VAL  25          HG13      VAL  25   2.385  -2.340  -0.046
  195   2HG1  VAL  25          HG12      VAL  25   1.655  -3.582   0.973
  196   3HG1  VAL  25          HG11      VAL  25   2.489  -4.037  -0.508
  197   1HG2  VAL  25          HG22      VAL  25  -1.221  -4.344  -1.100
  198   2HG2  VAL  25          HG21      VAL  25   0.275  -5.272  -1.140
  199   3HG2  VAL  25          HG23      VAL  25  -0.354  -4.689   0.398
  200    H    ASP  26           HN       ASP  26   0.623  -0.193   1.309
  201    HA   ASP  26           HA       ASP  26   1.397   1.684  -0.887
  202   1HB   ASP  26           HB2      ASP  26  -0.016   2.481   1.035
  203   2HB   ASP  26           HB1      ASP  26   1.343   2.169   2.111
  204    H    PHE  27           HN       PHE  27   3.499   1.604  -1.537
  205    HA   PHE  27           HA       PHE  27   5.583   0.500   0.279
  206   1HB   PHE  27           HB2      PHE  27   5.534   1.119  -2.680
  207   2HB   PHE  27           HB1      PHE  27   7.029   0.731  -1.830
  208    HD1  PHE  27           HD1      PHE  27   7.213  -1.468  -0.596
  209    HD2  PHE  27           HD2      PHE  27   4.004  -0.599  -3.314
  210    HE1  PHE  27           HE1      PHE  27   6.719  -3.890  -0.796
  211    HE2  PHE  27           HE2      PHE  27   3.515  -3.010  -3.486
  212    HZ   PHE  27           HZ       PHE  27   4.863  -4.656  -2.244
  213    H    SER  28           HN       SER  28   4.345   3.259   0.533
  214    HA   SER  28           HA       SER  28   6.196   5.226  -0.340
  215   1HB   SER  28           HB2      SER  28   4.515   5.234   2.174
  216   2HB   SER  28           HB1      SER  28   5.282   6.644   1.448
  217    HG   SER  28           HG       SER  28   2.995   5.325   0.754
  218    H    ALA  29           HN       ALA  29   7.948   6.203   0.641
  219    HA   ALA  29           HA       ALA  29   9.451   4.483   2.496
  220   1HB   ALA  29           HB1      ALA  29  10.050   6.745   0.663
  221   2HB   ALA  29           HB3      ALA  29  10.985   6.765   2.158
  222   3HB   ALA  29           HB2      ALA  29  11.058   5.367   1.089
  223    H    THR  30           HN       THR  30   9.321   4.783   4.666
  224    HA   THR  30           HA       THR  30   7.711   6.899   5.776
  225    HB   THR  30           HB       THR  30   8.032   4.764   6.967
  226    HG1  THR  30           HG1      THR  30   8.152   5.699   8.904
  227   1HG2  THR  30          HG23      THR  30  10.436   4.528   6.166
  228   2HG2  THR  30          HG22      THR  30  10.880   5.656   7.447
  229   3HG2  THR  30          HG21      THR  30  10.154   4.100   7.854
  230    H    TRP  31           HN       TRP  31  11.106   6.497   5.052
  231    HA   TRP  31           HA       TRP  31  12.001   8.789   6.618
  232   1HB   TRP  31           HB2      TRP  31  14.111   8.501   5.421
  233   2HB   TRP  31           HB1      TRP  31  13.505   6.933   5.961
  234    HD1  TRP  31           HD1      TRP  31  12.837   5.193   4.173
  235    HE1  TRP  31           HE1      TRP  31  13.094   5.071   1.614
  236    HE3  TRP  31           HE3      TRP  31  13.942  10.074   3.174
  237    HZ2  TRP  31           HZ2      TRP  31  13.651   6.825  -0.574
  238    HZ3  TRP  31           HZ3      TRP  31  14.299  10.822   0.843
  239    HH2  TRP  31           HH2      TRP  31  14.154   9.209  -1.029
  240    H    CYS  32           HN       CYS  32  10.516   8.402   3.516
  241    HA   CYS  32           HA       CYS  32  11.529  11.004   2.546
  242   1HB   CYS  32           HB2      CYS  32  11.007   8.907   1.082
  243   2HB   CYS  32           HB1      CYS  32   9.321   9.387   1.255
  244    H    GLY  33           HN       GLY  33  10.667  12.743   3.463
  245   1HA   GLY  33           HA2      GLY  33   8.288  12.804   4.986
  246   2HA   GLY  33           HA1      GLY  33   9.099  14.229   4.337
  247    HA   PRO  34           HA       PRO  34   6.174  14.939   1.111
  248   1HB   PRO  34           HB2      PRO  34   7.529  13.317  -0.993
  249   2HB   PRO  34           HB1      PRO  34   7.069  15.026  -1.016
  250   1HG   PRO  34           HG2      PRO  34   9.656  14.197  -0.734
  251   2HG   PRO  34           HG1      PRO  34   9.053  15.712  -0.048
  252   1HD   PRO  34           HD2      PRO  34   9.789  13.196   1.345
  253   2HD   PRO  34           HD1      PRO  34   9.688  14.851   2.003
  254    H    ALA  35           HN       ALA  35   7.318  11.579   1.111
  255    HA   ALA  35           HA       ALA  35   4.766  10.527   0.158
  256   1HB   ALA  35           HB1      ALA  35   7.237   9.524   0.045
  257   2HB   ALA  35           HB3      ALA  35   6.758   8.784   1.572
  258   3HB   ALA  35           HB2      ALA  35   5.829   8.467   0.107
  259    H    LYS  36           HN       LYS  36   6.455  10.652   3.311
  260    HA   LYS  36           HA       LYS  36   4.467   9.275   4.818
  261   1HB   LYS  36           HB2      LYS  36   6.789   9.919   5.616
  262   2HB   LYS  36           HB1      LYS  36   6.187  11.562   5.827
  263   1HG   LYS  36           HG2      LYS  36   4.405  10.672   7.330
  264   2HG   LYS  36           HG1      LYS  36   5.133   9.071   7.195
  265   1HD   LYS  36           HD2      LYS  36   7.272  10.005   8.084
  266   2HD   LYS  36           HD1      LYS  36   6.470  11.560   8.301
  267   1HE   LYS  36           HE2      LYS  36   5.610   8.961   9.598
  268   2HE   LYS  36           HE1      LYS  36   6.508  10.249  10.400
  269   1HZ   LYS  36           HZ2      LYS  36   4.628  11.754   9.756
  270   2HZ   LYS  36           HZ1      LYS  36   3.758  10.367   9.303
  271   3HZ   LYS  36           HZ3      LYS  36   4.243  10.572  10.915
  272    H    MET  37           HN       MET  37   4.694  12.579   3.683
  273    HA   MET  37           HA       MET  37   2.679  13.767   5.299
  274   1HB   MET  37           HB2      MET  37   4.255  14.972   3.741
  275   2HB   MET  37           HB1      MET  37   3.272  14.408   2.397
  276   1HG   MET  37           HG2      MET  37   2.045  15.935   4.702
  277   2HG   MET  37           HG1      MET  37   2.758  16.769   3.321
  278   1HE   MET  37           HE1      MET  37   2.280  15.886   0.867
  279   2HE   MET  37           HE3      MET  37   0.598  16.140   0.378
  280   3HE   MET  37           HE2      MET  37   1.454  17.383   1.287
  281    H    ILE  38           HN       ILE  38   2.470  11.684   2.483
  282    HA   ILE  38           HA       ILE  38  -0.375  12.175   2.041
  283    HB   ILE  38           HB       ILE  38   1.155   9.792   0.966
  284   1HG1  ILE  38          HG12      ILE  38   1.162  12.601  -0.208
  285   2HG1  ILE  38          HG11      ILE  38   2.531  11.868   0.630
  286   1HG2  ILE  38          HG23      ILE  38  -1.110  11.527  -0.085
  287   2HG2  ILE  38          HG22      ILE  38  -0.352  10.220  -0.993
  288   3HG2  ILE  38          HG21      ILE  38  -1.239   9.862   0.479
  289   1HD1  ILE  38          HD13      ILE  38   2.264   9.925  -1.067
  290   2HD1  ILE  38          HD12      ILE  38   1.306  11.072  -2.005
  291   3HD1  ILE  38          HD11      ILE  38   2.991  11.428  -1.629
  292    H    LYS  39           HN       LYS  39   1.261  10.342   4.402
  293    HA   LYS  39           HA       LYS  39  -0.266   7.968   4.310
  294   1HB   LYS  39           HB2      LYS  39   0.494   7.398   6.443
  295   2HB   LYS  39           HB1      LYS  39   1.784   8.380   5.781
  296   1HG   LYS  39           HG2      LYS  39   1.279  10.211   7.184
  297   2HG   LYS  39           HG1      LYS  39  -0.341   9.630   7.556
  298   1HD   LYS  39           HD2      LYS  39   2.236   8.294   8.429
  299   2HD   LYS  39           HD1      LYS  39   1.230   9.321   9.447
  300   1HE   LYS  39           HE2      LYS  39   0.316   7.301  10.074
  301   2HE   LYS  39           HE1      LYS  39  -0.646   7.529   8.615
  302   1HZ   LYS  39           HZ1      LYS  39   1.684   6.430   7.720
  303   2HZ   LYS  39           HZ3      LYS  39   1.397   5.602   9.174
  304   3HZ   LYS  39           HZ2      LYS  39   0.216   5.604   7.950
  305    HA   PRO  40           HA       PRO  40  -3.445  10.130   7.307
  306   1HB   PRO  40           HB2      PRO  40  -3.832  12.604   5.683
  307   2HB   PRO  40           HB1      PRO  40  -3.809  12.411   7.447
  308   1HG   PRO  40           HG2      PRO  40  -1.769  13.581   6.182
  309   2HG   PRO  40           HG1      PRO  40  -1.477  12.489   7.550
  310   1HD   PRO  40           HD2      PRO  40  -1.193  11.948   4.620
  311   2HD   PRO  40           HD1      PRO  40  -0.127  11.427   5.944
  312    H    PHE  41           HN       PHE  41  -3.445  10.749   3.771
  313    HA   PHE  41           HA       PHE  41  -6.285  10.207   3.530
  314   1HB   PHE  41           HB2      PHE  41  -4.052  10.099   1.476
  315   2HB   PHE  41           HB1      PHE  41  -5.765   9.941   1.111
  316    HD1  PHE  41           HD2      PHE  41  -3.251  12.235   2.615
  317    HD2  PHE  41           HD1      PHE  41  -7.153  11.829   0.867
  318    HE1  PHE  41           HE2      PHE  41  -3.478  14.707   2.548
  319    HE2  PHE  41           HE1      PHE  41  -7.385  14.302   0.806
  320    HZ   PHE  41           HZ       PHE  41  -5.543  15.741   1.640
  321    H    PHE  42           HN       PHE  42  -3.346   8.309   2.791
  322    HA   PHE  42           HA       PHE  42  -4.660   5.878   2.098
  323   1HB   PHE  42           HB2      PHE  42  -2.260   6.321   1.677
  324   2HB   PHE  42           HB1      PHE  42  -1.953   6.303   3.417
  325    HD1  PHE  42           HD1      PHE  42  -3.088   4.228   0.549
  326    HD2  PHE  42           HD2      PHE  42  -1.744   4.260   4.622
  327    HE1  PHE  42           HE1      PHE  42  -2.895   1.759   0.505
  328    HE2  PHE  42           HE2      PHE  42  -1.545   1.786   4.577
  329    HZ   PHE  42           HZ       PHE  42  -2.127   0.536   2.515
  330    H    HIS  43           HN       HIS  43  -3.340   6.990   5.190
  331    HA   HIS  43           HA       HIS  43  -4.171   4.706   6.716
  332   1HB   HIS  43           HB2      HIS  43  -2.373   6.225   7.437
  333   2HB   HIS  43           HB1      HIS  43  -3.534   7.542   7.597
  334    HD1  HIS  43           HD1      HIS  43  -2.341   4.434   9.271
  335    HD2  HIS  43           HD2      HIS  43  -5.354   7.261   9.778
  336    HE1  HIS  43           HE1      HIS  43  -3.369   3.983  11.544
  337    H    SER  44           HN       SER  44  -5.657   7.923   6.248
  338    HA   SER  44           HA       SER  44  -7.836   7.484   8.032
  339   1HB   SER  44           HB2      SER  44  -7.737   9.227   5.563
  340   2HB   SER  44           HB1      SER  44  -8.984   9.303   6.804
  341    HG   SER  44           HG       SER  44  -7.588  10.196   8.170
  342    H    LEU  45           HN       LEU  45  -7.407   6.675   4.617
  343    HA   LEU  45           HA       LEU  45 -10.095   5.988   4.042
  344   1HB   LEU  45           HB2      LEU  45  -7.492   5.006   2.918
  345   2HB   LEU  45           HB1      LEU  45  -9.026   4.412   2.311
  346    HG   LEU  45           HG       LEU  45  -8.476   7.383   2.501
  347   1HD1  LEU  45          HD13      LEU  45  -7.705   5.463   0.287
  348   2HD1  LEU  45          HD12      LEU  45  -7.887   7.201   0.028
  349   3HD1  LEU  45          HD11      LEU  45  -6.659   6.599   1.139
  350   1HD2  LEU  45          HD23      LEU  45 -10.348   5.635   0.873
  351   2HD2  LEU  45          HD22      LEU  45 -10.788   6.850   2.072
  352   3HD2  LEU  45          HD21      LEU  45 -10.091   7.343   0.536
  353    H    SER  46           HN       SER  46  -7.677   4.234   5.860
  354    HA   SER  46           HA       SER  46  -8.680   1.616   5.643
  355   1HB   SER  46           HB2      SER  46  -7.686   2.970   8.171
  356   2HB   SER  46           HB1      SER  46  -7.791   1.233   7.899
  357    HG   SER  46           HG       SER  46  -6.124   3.135   6.643
  358    H    GLU  47           HN       GLU  47  -9.786   4.296   7.692
  359    HA   GLU  47           HA       GLU  47 -11.984   2.668   8.772
  360   1HB   GLU  47           HB2      GLU  47 -11.188   5.578   9.110
  361   2HB   GLU  47           HB1      GLU  47 -12.577   4.845   9.912
  362   1HG   GLU  47           HG2      GLU  47 -10.768   4.715  11.475
  363   2HG   GLU  47           HG1      GLU  47 -10.968   3.089  10.823
  364    H    LYS  48           HN       LYS  48 -11.487   4.741   6.019
  365    HA   LYS  48           HA       LYS  48 -14.299   5.553   5.789
  366   1HB   LYS  48           HB2      LYS  48 -12.177   6.692   4.757
  367   2HB   LYS  48           HB1      LYS  48 -12.323   5.474   3.495
  368   1HG   LYS  48           HG2      LYS  48 -14.290   7.646   4.232
  369   2HG   LYS  48           HG1      LYS  48 -13.479   7.390   2.699
  370   1HD   LYS  48           HD2      LYS  48 -14.760   5.188   2.545
  371   2HD   LYS  48           HD1      LYS  48 -15.725   5.780   3.899
  372   1HE   LYS  48           HE2      LYS  48 -16.318   7.789   2.604
  373   2HE   LYS  48           HE1      LYS  48 -15.361   7.200   1.246
  374   1HZ   LYS  48           HZ1      LYS  48 -16.793   5.244   1.150
  375   2HZ   LYS  48           HZ3      LYS  48 -17.726   5.845   2.431
  376   3HZ   LYS  48           HZ2      LYS  48 -17.689   6.671   0.946
  377    H    TYR  49           HN       TYR  49 -12.141   3.065   4.551
  378    HA   TYR  49           HA       TYR  49 -14.521   1.531   3.523
  379   1HB   TYR  49           HB2      TYR  49 -11.700   1.682   2.406
  380   2HB   TYR  49           HB1      TYR  49 -12.870   0.450   1.933
  381    HD1  TYR  49           HD2      TYR  49 -14.881   1.048   0.648
  382    HD2  TYR  49           HD1      TYR  49 -11.935   3.984   1.716
  383    HE1  TYR  49           HE2      TYR  49 -15.847   2.622  -1.009
  384    HE2  TYR  49           HE1      TYR  49 -12.897   5.551   0.060
  385    HH   TYR  49           HH       TYR  49 -15.774   4.675  -1.853
  386    H    SER  50           HN       SER  50 -14.370   0.950   5.911
  387    HA   SER  50           HA       SER  50 -12.174  -0.604   6.890
  388   1HB   SER  50           HB2      SER  50 -13.618  -1.137   8.732
  389   2HB   SER  50           HB1      SER  50 -13.982   0.514   8.267
  390    HG   SER  50           HG       SER  50 -15.667  -0.466   6.909
  391    H    ASN  51           HN       ASN  51 -14.419  -1.254   4.487
  392    HA   ASN  51           HA       ASN  51 -14.536  -4.172   4.947
  393   1HB   ASN  51           HB2      ASN  51 -16.461  -2.820   3.953
  394   2HB   ASN  51           HB1      ASN  51 -15.470  -2.642   2.507
  395   1HD2  ASN  51          HD22      ASN  51 -16.229  -5.876   1.322
  396   2HD2  ASN  51          HD21      ASN  51 -15.542  -4.358   1.008
  397    H    VAL  52           HN       VAL  52 -12.225  -2.137   3.945
  398    HA   VAL  52           HA       VAL  52 -11.045  -4.127   2.050
  399    HB   VAL  52           HB       VAL  52 -10.995  -1.099   1.902
  400   1HG1  VAL  52          HG13      VAL  52  -9.083  -3.143   0.783
  401   2HG1  VAL  52          HG12      VAL  52  -9.445  -1.696  -0.163
  402   3HG1  VAL  52          HG11      VAL  52  -8.747  -1.547   1.449
  403   1HG2  VAL  52          HG23      VAL  52 -11.790  -3.315  -0.018
  404   2HG2  VAL  52          HG22      VAL  52 -12.868  -2.162   0.768
  405   3HG2  VAL  52          HG21      VAL  52 -11.721  -1.606  -0.449
  406    H    ILE  53           HN       ILE  53  -8.812  -4.547   2.416
  407    HA   ILE  53           HA       ILE  53  -7.867  -3.640   5.107
  408    HB   ILE  53           HB       ILE  53  -6.653  -5.750   3.299
  409   1HG1  ILE  53          HG12      ILE  53  -8.963  -6.395   3.690
  410   2HG1  ILE  53          HG11      ILE  53  -7.932  -7.387   4.715
  411   1HG2  ILE  53          HG21      ILE  53  -5.543  -4.631   5.480
  412   2HG2  ILE  53          HG23      ILE  53  -6.541  -5.823   6.299
  413   3HG2  ILE  53          HG22      ILE  53  -5.344  -6.342   5.120
  414   1HD1  ILE  53          HD13      ILE  53  -8.361  -5.621   6.551
  415   2HD1  ILE  53          HD12      ILE  53  -9.666  -5.047   5.516
  416   3HD1  ILE  53          HD11      ILE  53  -9.700  -6.692   6.140
  417    H    PHE  54           HN       PHE  54  -6.404  -1.997   5.185
  418    HA   PHE  54           HA       PHE  54  -4.801  -1.351   2.738
  419   1HB   PHE  54           HB2      PHE  54  -5.420   0.234   5.248
  420   2HB   PHE  54           HB1      PHE  54  -4.337   0.794   3.972
  421    HD1  PHE  54           HD1      PHE  54  -7.816  -0.453   4.542
  422    HD2  PHE  54           HD2      PHE  54  -5.217   1.956   2.121
  423    HE1  PHE  54           HE1      PHE  54  -9.779   0.415   3.303
  424    HE2  PHE  54           HE2      PHE  54  -7.179   2.812   0.872
  425    HZ   PHE  54           HZ       PHE  54  -9.458   2.040   1.462
  426    H    LEU  55           HN       LEU  55  -2.676  -1.957   2.746
  427    HA   LEU  55           HA       LEU  55  -1.334  -2.477   5.384
  428   1HB   LEU  55           HB2      LEU  55  -0.775  -3.657   2.650
  429   2HB   LEU  55           HB1      LEU  55   0.333  -3.820   4.012
  430    HG   LEU  55           HG       LEU  55  -1.382  -4.993   5.302
  431   1HD1  LEU  55          HD11      LEU  55  -3.146  -4.174   3.022
  432   2HD1  LEU  55          HD13      LEU  55  -3.491  -5.685   3.867
  433   3HD1  LEU  55          HD12      LEU  55  -3.452  -4.173   4.757
  434   1HD2  LEU  55          HD22      LEU  55  -0.825  -5.986   2.510
  435   2HD2  LEU  55          HD21      LEU  55  -0.105  -6.501   4.032
  436   3HD2  LEU  55          HD23      LEU  55  -1.761  -6.960   3.645
  437    H    GLU  56           HN       GLU  56   0.561  -1.468   5.853
  438    HA   GLU  56           HA       GLU  56   1.518   0.574   3.872
  439   1HB   GLU  56           HB2      GLU  56   0.663   1.416   6.105
  440   2HB   GLU  56           HB1      GLU  56   1.967   0.516   6.876
  441   1HG   GLU  56           HG2      GLU  56   3.586   1.782   5.385
  442   2HG   GLU  56           HG1      GLU  56   2.228   2.801   4.904
  443    H    VAL  57           HN       VAL  57   3.549   0.222   3.087
  444    HA   VAL  57           HA       VAL  57   5.284  -1.788   4.492
  445    HB   VAL  57           HB       VAL  57   4.998  -1.377   1.505
  446   1HG1  VAL  57          HG13      VAL  57   6.519  -3.359   3.208
  447   2HG1  VAL  57          HG12      VAL  57   6.304  -3.517   1.466
  448   3HG1  VAL  57          HG11      VAL  57   7.206  -2.151   2.122
  449   1HG2  VAL  57          HG22      VAL  57   3.963  -3.549   3.345
  450   2HG2  VAL  57          HG21      VAL  57   2.981  -2.381   2.456
  451   3HG2  VAL  57          HG23      VAL  57   3.903  -3.609   1.585
  452    H    ASP  58           HN       ASP  58   7.382  -1.206   4.782
  453    HA   ASP  58           HA       ASP  58   8.244   1.510   3.895
  454   1HB   ASP  58           HB2      ASP  58   8.349   0.757   6.320
  455   2HB   ASP  58           HB1      ASP  58   9.599  -0.385   5.814
  456    H    VAL  59           HN       VAL  59   9.574   1.618   2.123
  457    HA   VAL  59           HA       VAL  59  10.723  -0.767   0.937
  458    HB   VAL  59           HB       VAL  59  11.945   0.848  -0.523
  459   1HG1  VAL  59          HG11      VAL  59   9.037   1.504  -0.009
  460   2HG1  VAL  59          HG13      VAL  59   9.917   1.918  -1.479
  461   3HG1  VAL  59          HG12      VAL  59   9.637   0.226  -1.062
  462   1HG2  VAL  59          HG22      VAL  59  10.684   2.909   1.303
  463   2HG2  VAL  59          HG21      VAL  59  12.407   2.584   1.135
  464   3HG2  VAL  59          HG23      VAL  59  11.505   3.271  -0.215
  465    H    ASP  60           HN       ASP  60  11.669   1.344   3.484
  466    HA   ASP  60           HA       ASP  60  14.537   0.617   3.262
  467   1HB   ASP  60           HB2      ASP  60  12.948   2.565   4.907
  468   2HB   ASP  60           HB1      ASP  60  14.584   2.142   5.379
  469    H    ASP  61           HN       ASP  61  11.834   0.116   5.580
  470    HA   ASP  61           HA       ASP  61  13.604  -1.729   7.142
  471   1HB   ASP  61           HB2      ASP  61  10.783  -0.750   7.714
  472   2HB   ASP  61           HB1      ASP  61  11.726  -1.806   8.761
  473    H    ALA  62           HN       ALA  62  11.280  -1.717   4.702
  474    HA   ALA  62           HA       ALA  62  10.863  -4.667   4.980
  475   1HB   ALA  62           HB2      ALA  62   8.863  -2.785   5.190
  476   2HB   ALA  62           HB1      ALA  62   8.820  -3.124   3.465
  477   3HB   ALA  62           HB3      ALA  62   8.598  -4.433   4.626
  478    H    GLN  63           HN       GLN  63  13.007  -3.337   3.688
  479    HA   GLN  63           HA       GLN  63  12.629  -2.887   0.910
  480   1HB   GLN  63           HB2      GLN  63  15.029  -3.126   0.713
  481   2HB   GLN  63           HB1      GLN  63  14.697  -2.336   2.250
  482   1HG   GLN  63           HG2      GLN  63  14.773  -4.659   3.311
  483   2HG   GLN  63           HG1      GLN  63  15.443  -5.232   1.780
  484   1HE2  GLN  63          HE22      GLN  63  17.920  -3.543   4.406
  485   2HE2  GLN  63          HE21      GLN  63  16.381  -4.148   4.794
  486    H    ASP  64           HN       ASP  64  12.695  -5.813   2.759
  487    HA   ASP  64           HA       ASP  64  13.418  -7.633   0.666
  488   1HB   ASP  64           HB2      ASP  64  12.180  -9.325   2.090
  489   2HB   ASP  64           HB1      ASP  64  13.413  -8.413   2.958
  490    H    VAL  65           HN       VAL  65  10.320  -6.251   1.711
  491    HA   VAL  65           HA       VAL  65   8.743  -7.800  -0.157
  492    HB   VAL  65           HB       VAL  65   7.952  -5.111   0.991
  493   1HG1  VAL  65          HG11      VAL  65   6.458  -6.253  -0.646
  494   2HG1  VAL  65          HG13      VAL  65   6.394  -7.656   0.421
  495   3HG1  VAL  65          HG12      VAL  65   5.719  -6.115   0.949
  496   1HG2  VAL  65          HG21      VAL  65   8.150  -7.784   2.373
  497   2HG2  VAL  65          HG23      VAL  65   8.789  -6.235   2.906
  498   3HG2  VAL  65          HG22      VAL  65   7.053  -6.526   2.930
  499    H    ALA  66           HN       ALA  66  10.036  -4.476  -0.149
  500    HA   ALA  66           HA       ALA  66   8.898  -3.812  -2.711
  501   1HB   ALA  66           HB1      ALA  66   9.777  -2.259  -0.806
  502   2HB   ALA  66           HB3      ALA  66  11.337  -2.441  -1.611
  503   3HB   ALA  66           HB2      ALA  66   9.964  -1.760  -2.484
  504    H    SER  67           HN       SER  67  12.071  -5.057  -1.712
  505    HA   SER  67           HA       SER  67  13.356  -4.777  -4.244
  506   1HB   SER  67           HB2      SER  67  14.897  -6.522  -3.443
  507   2HB   SER  67           HB1      SER  67  14.570  -5.359  -2.163
  508    HG   SER  67           HG       SER  67  12.726  -7.028  -1.783
  509    H    GLU  68           HN       GLU  68  11.142  -7.192  -2.974
  510    HA   GLU  68           HA       GLU  68  11.499  -9.164  -5.014
  511   1HB   GLU  68           HB2      GLU  68  10.331  -9.543  -2.852
  512   2HB   GLU  68           HB1      GLU  68   9.003  -8.532  -3.411
  513   1HG   GLU  68           HG2      GLU  68   8.696 -10.084  -5.352
  514   2HG   GLU  68           HG1      GLU  68   9.953 -11.121  -4.674
  515    H    ALA  69           HN       ALA  69   9.346  -6.345  -4.775
  516    HA   ALA  69           HA       ALA  69   8.130  -6.967  -7.384
  517   1HB   ALA  69           HB2      ALA  69   7.757  -4.665  -5.455
  518   2HB   ALA  69           HB1      ALA  69   6.860  -4.842  -6.964
  519   3HB   ALA  69           HB3      ALA  69   6.681  -6.043  -5.685
  520    H    GLU  70           HN       GLU  70  11.027  -5.649  -6.557
  521    HA   GLU  70           HA       GLU  70  12.529  -4.232  -7.667
  522   1HB   GLU  70           HB2      GLU  70  10.702  -4.792 -10.026
  523   2HB   GLU  70           HB1      GLU  70  12.294  -4.048 -10.124
  524   1HG   GLU  70           HG2      GLU  70  11.755  -6.801  -9.001
  525   2HG   GLU  70           HG1      GLU  70  12.339  -6.471 -10.632
  526    H    VAL  71           HN       VAL  71  10.736  -2.805  -6.174
  527    HA   VAL  71           HA       VAL  71   9.215  -0.908  -7.695
  528    HB   VAL  71           HB       VAL  71  10.500  -0.468  -4.974
  529   1HG1  VAL  71          HG11      VAL  71   8.105   0.737  -6.398
  530   2HG1  VAL  71          HG13      VAL  71   8.474   1.008  -4.697
  531   3HG1  VAL  71          HG12      VAL  71   9.592   1.566  -5.947
  532   1HG2  VAL  71          HG21      VAL  71   7.909  -1.824  -5.795
  533   2HG2  VAL  71          HG23      VAL  71   9.234  -2.529  -4.872
  534   3HG2  VAL  71          HG22      VAL  71   8.228  -1.273  -4.151
  535    H    LYS  72           HN       LYS  72   9.897   0.841  -8.828
  536    HA   LYS  72           HA       LYS  72  12.793   1.526  -8.733
  537   1HB   LYS  72           HB2      LYS  72  10.701   2.110 -10.843
  538   2HB   LYS  72           HB1      LYS  72  12.406   2.536 -10.958
  539   1HG   LYS  72           HG2      LYS  72  11.571  -0.338 -10.481
  540   2HG   LYS  72           HG1      LYS  72  11.609   0.328 -12.112
  541   1HD   LYS  72           HD2      LYS  72  14.004   1.030 -11.665
  542   2HD   LYS  72           HD1      LYS  72  13.922   0.095 -10.175
  543   1HE   LYS  72           HE2      LYS  72  13.453  -1.942 -11.414
  544   2HE   LYS  72           HE1      LYS  72  13.332  -1.041 -12.924
  545   1HZ   LYS  72           HZ3      LYS  72  15.789  -0.982 -11.285
  546   2HZ   LYS  72           HZ2      LYS  72  15.514  -2.210 -12.430
  547   3HZ   LYS  72           HZ1      LYS  72  15.600  -0.585 -12.925
  548    H    ALA  73           HN       ALA  73   9.765   2.700  -7.712
  549    HA   ALA  73           HA       ALA  73  10.988   5.209  -6.864
  550   1HB   ALA  73           HB3      ALA  73   9.052   5.124  -9.154
  551   2HB   ALA  73           HB2      ALA  73   9.057   6.520  -8.074
  552   3HB   ALA  73           HB1      ALA  73  10.514   6.091  -8.967
  553    H    THR  74           HN       THR  74   9.647   6.419  -5.428
  554    HA   THR  74           HA       THR  74   7.197   5.030  -4.421
  555    HB   THR  74           HB       THR  74   7.913   5.454  -2.134
  556    HG1  THR  74           HG1      THR  74  10.217   6.380  -2.111
  557   1HG2  THR  74          HG21      THR  74  10.148   4.329  -3.802
  558   2HG2  THR  74          HG23      THR  74  10.099   4.248  -2.044
  559   3HG2  THR  74          HG22      THR  74   8.855   3.442  -3.003
  560    HA   PRO  75           HA       PRO  75   5.824   5.665  -2.563
  561   1HB   PRO  75           HB2      PRO  75   3.234   6.634  -2.562
  562   2HB   PRO  75           HB1      PRO  75   4.481   7.119  -1.411
  563   1HG   PRO  75           HG2      PRO  75   3.378   8.634  -3.709
  564   2HG   PRO  75           HG1      PRO  75   4.122   9.234  -2.220
  565   1HD   PRO  75           HD2      PRO  75   5.361   9.104  -4.764
  566   2HD   PRO  75           HD1      PRO  75   6.181   9.409  -3.212
  567    H    THR  76           HN       THR  76   4.958   3.750  -3.283
  568    HA   THR  76           HA       THR  76   3.492   3.768  -5.906
  569    HB   THR  76           HB       THR  76   5.445   1.666  -4.920
  570    HG1  THR  76           HG1      THR  76   5.659   3.885  -6.503
  571   1HG2  THR  76          HG23      THR  76   3.688   1.871  -7.365
  572   2HG2  THR  76          HG22      THR  76   5.079   0.791  -7.287
  573   3HG2  THR  76          HG21      THR  76   3.730   0.572  -6.176
  574    H    PHE  77           HN       PHE  77   1.625   2.684  -5.901
  575    HA   PHE  77           HA       PHE  77   0.845   1.215  -3.404
  576   1HB   PHE  77           HB2      PHE  77  -0.892   2.646  -5.441
  577   2HB   PHE  77           HB1      PHE  77  -1.470   1.828  -3.989
  578    HD1  PHE  77           HD1      PHE  77  -1.060   2.760  -1.762
  579    HD2  PHE  77           HD2      PHE  77   0.335   4.748  -5.303
  580    HE1  PHE  77           HE1      PHE  77  -0.634   4.817  -0.438
  581    HE2  PHE  77           HE2      PHE  77   0.754   6.806  -3.983
  582    HZ   PHE  77           HZ       PHE  77   0.274   6.840  -1.551
  583    H    GLN  78           HN       GLN  78   0.319  -0.911  -3.629
  584    HA   GLN  78           HA       GLN  78  -0.162  -1.975  -6.404
  585   1HB   GLN  78           HB2      GLN  78   1.320  -3.265  -4.095
  586   2HB   GLN  78           HB1      GLN  78   0.811  -4.137  -5.536
  587   1HG   GLN  78           HG2      GLN  78   2.091  -2.434  -6.889
  588   2HG   GLN  78           HG1      GLN  78   2.763  -1.822  -5.381
  589   1HE2  GLN  78          HE22      GLN  78   5.348  -4.186  -6.064
  590   2HE2  GLN  78          HE21      GLN  78   4.929  -2.545  -6.135
  591    H    PHE  79           HN       PHE  79  -1.894  -3.296  -6.610
  592    HA   PHE  79           HA       PHE  79  -3.625  -3.622  -4.183
  593   1HB   PHE  79           HB2      PHE  79  -4.282  -3.569  -7.138
  594   2HB   PHE  79           HB1      PHE  79  -5.455  -3.892  -5.855
  595    HD1  PHE  79           HD2      PHE  79  -3.055  -1.388  -7.176
  596    HD2  PHE  79           HD1      PHE  79  -6.302  -2.134  -4.472
  597    HE1  PHE  79           HE2      PHE  79  -3.229   1.037  -6.724
  598    HE2  PHE  79           HE1      PHE  79  -6.477   0.298  -4.012
  599    HZ   PHE  79           HZ       PHE  79  -4.943   1.886  -5.140
  600    H    PHE  80           HN       PHE  80  -4.119  -5.601  -3.481
  601    HA   PHE  80           HA       PHE  80  -3.486  -7.945  -5.213
  602   1HB   PHE  80           HB2      PHE  80  -2.923  -7.556  -2.270
  603   2HB   PHE  80           HB1      PHE  80  -2.935  -9.143  -3.038
  604    HD1  PHE  80           HD2      PHE  80  -1.200  -5.858  -2.885
  605    HD2  PHE  80           HD1      PHE  80  -1.205  -9.817  -4.576
  606    HE1  PHE  80           HE2      PHE  80   1.133  -5.543  -3.661
  607    HE2  PHE  80           HE1      PHE  80   1.127  -9.489  -5.351
  608    HZ   PHE  80           HZ       PHE  80   2.298  -7.351  -4.893
  609    H    LYS  81           HN       LYS  81  -4.922  -9.707  -5.009
  610    HA   LYS  81           HA       LYS  81  -7.227  -9.433  -3.163
  611   1HB   LYS  81           HB2      LYS  81  -7.669  -8.232  -5.431
  612   2HB   LYS  81           HB1      LYS  81  -7.730  -9.857  -6.117
  613   1HG   LYS  81           HG2      LYS  81  -9.478 -10.455  -4.442
  614   2HG   LYS  81           HG1      LYS  81  -9.457  -8.787  -3.871
  615   1HD   LYS  81           HD2      LYS  81  -9.980  -8.072  -6.244
  616   2HD   LYS  81           HD1      LYS  81 -10.256  -9.773  -6.620
  617   1HE   LYS  81           HE2      LYS  81 -11.975  -9.886  -4.851
  618   2HE   LYS  81           HE1      LYS  81 -11.706  -8.181  -4.483
  619   1HZ   LYS  81           HZ2      LYS  81 -12.104  -8.272  -7.192
  620   2HZ   LYS  81           HZ1      LYS  81 -13.251  -9.356  -6.567
  621   3HZ   LYS  81           HZ3      LYS  81 -13.222  -7.750  -6.027
  622    H    LYS  82           HN       LYS  82  -7.609 -11.446  -2.364
  623    HA   LYS  82           HA       LYS  82  -7.455 -13.783  -2.120
  624   1HB   LYS  82           HB2      LYS  82  -7.612 -13.678  -5.168
  625   2HB   LYS  82           HB1      LYS  82  -7.753 -15.141  -4.204
  626   1HG   LYS  82           HG2      LYS  82  -9.668 -13.951  -2.978
  627   2HG   LYS  82           HG1      LYS  82  -9.635 -12.780  -4.297
  628   1HD   LYS  82           HD2      LYS  82  -9.867 -14.732  -5.899
  629   2HD   LYS  82           HD1      LYS  82 -10.157 -15.758  -4.494
  630   1HE   LYS  82           HE2      LYS  82 -12.313 -15.107  -5.326
  631   2HE   LYS  82           HE1      LYS  82 -12.037 -14.169  -3.857
  632   1HZ   LYS  82           HZ3      LYS  82 -10.994 -12.860  -6.163
  633   2HZ   LYS  82           HZ2      LYS  82 -12.653 -13.179  -6.332
  634   3HZ   LYS  82           HZ1      LYS  82 -12.089 -12.281  -5.005
  635    H    GLY  83           HN       GLY  83  -5.065 -12.008  -2.521
  636   1HA   GLY  83           HA2      GLY  83  -2.757 -12.438  -2.344
  637   2HA   GLY  83           HA1      GLY  83  -3.076 -14.137  -2.691
  638    H    GLN  84           HN       GLN  84  -4.480 -11.897  -4.896
  639    HA   GLN  84           HA       GLN  84  -2.344 -12.508  -6.911
  640   1HB   GLN  84           HB2      GLN  84  -5.284 -11.930  -7.391
  641   2HB   GLN  84           HB1      GLN  84  -4.095 -12.349  -8.616
  642   1HG   GLN  84           HG2      GLN  84  -4.900 -14.153  -6.317
  643   2HG   GLN  84           HG1      GLN  84  -5.520 -14.283  -7.960
  644   1HE2  GLN  84          HE22      GLN  84  -1.626 -15.359  -7.230
  645   2HE2  GLN  84          HE21      GLN  84  -2.402 -14.273  -6.180
  646    H    LYS  85           HN       LYS  85  -1.411 -10.771  -7.966
  647    HA   LYS  85           HA       LYS  85  -2.129  -8.040  -7.089
  648   1HB   LYS  85           HB2      LYS  85   0.242  -8.744  -7.462
  649   2HB   LYS  85           HB1      LYS  85  -0.117  -8.961  -9.174
  650   1HG   LYS  85           HG2      LYS  85  -0.797  -6.550  -9.286
  651   2HG   LYS  85           HG1      LYS  85  -0.284  -6.369  -7.608
  652   1HD   LYS  85           HD2      LYS  85   1.993  -7.050  -8.201
  653   2HD   LYS  85           HD1      LYS  85   1.495  -7.318  -9.871
  654   1HE   LYS  85           HE2      LYS  85   0.791  -4.865  -9.920
  655   2HE   LYS  85           HE1      LYS  85   1.633  -4.687  -8.382
  656   1HZ   LYS  85           HZ1      LYS  85   2.990  -5.923 -10.684
  657   2HZ   LYS  85           HZ3      LYS  85   2.905  -4.235 -10.555
  658   3HZ   LYS  85           HZ2      LYS  85   3.666  -5.141  -9.337
  659    H    VAL  86           HN       VAL  86  -3.667  -6.878  -8.119
  660    HA   VAL  86           HA       VAL  86  -4.251  -7.510 -10.992
  661    HB   VAL  86           HB       VAL  86  -6.606  -6.834 -10.478
  662   1HG1  VAL  86          HG12      VAL  86  -5.709  -9.243 -10.406
  663   2HG1  VAL  86          HG11      VAL  86  -5.699  -9.073  -8.649
  664   3HG1  VAL  86          HG13      VAL  86  -7.216  -8.947  -9.542
  665   1HG2  VAL  86          HG22      VAL  86  -5.867  -5.535  -8.370
  666   2HG2  VAL  86          HG21      VAL  86  -7.332  -6.503  -8.233
  667   3HG2  VAL  86          HG23      VAL  86  -5.814  -7.104  -7.569
  668    H    GLY  87           HN       GLY  87  -2.735  -5.202  -9.253
  669   1HA   GLY  87           HA2      GLY  87  -3.082  -3.196 -11.260
  670   2HA   GLY  87           HA1      GLY  87  -4.161  -2.813  -9.927
  671    H    GLU  88           HN       GLU  88  -1.858  -1.308 -10.906
  672    HA   GLU  88           HA       GLU  88  -0.641  -0.706  -8.347
  673   1HB   GLU  88           HB2      GLU  88   0.823  -2.550  -8.843
  674   2HB   GLU  88           HB1      GLU  88   1.058  -1.996 -10.496
  675   1HG   GLU  88           HG2      GLU  88   2.241   0.004  -9.698
  676   2HG   GLU  88           HG1      GLU  88   1.914  -0.447  -8.024
  677    H    PHE  89           HN       PHE  89   0.480   1.293  -8.406
  678    HA   PHE  89           HA       PHE  89   1.025   2.624 -10.932
  679   1HB   PHE  89           HB2      PHE  89  -0.578   4.403 -10.844
  680   2HB   PHE  89           HB1      PHE  89  -1.488   2.901 -10.707
  681    HD1  PHE  89           HD1      PHE  89  -0.019   5.702  -8.780
  682    HD2  PHE  89           HD2      PHE  89  -2.820   2.449  -8.756
  683    HE1  PHE  89           HE1      PHE  89  -0.962   6.543  -6.649
  684    HE2  PHE  89           HE2      PHE  89  -3.774   3.297  -6.620
  685    HZ   PHE  89           HZ       PHE  89  -2.843   5.352  -5.585
  686    H    SER  90           HN       SER  90   1.955   4.793 -10.549
  687    HA   SER  90           HA       SER  90   2.985   5.145  -7.746
  688   1HB   SER  90           HB2      SER  90   5.097   5.940  -8.737
  689   2HB   SER  90           HB1      SER  90   4.773   4.264  -9.180
  690    HG   SER  90           HG       SER  90   4.741   6.592 -10.712
  691    H    GLY  91           HN       GLY  91   3.619   7.338  -7.243
  692   1HA   GLY  91           HA2      GLY  91   3.653   9.716  -8.124
  693   2HA   GLY  91           HA1      GLY  91   2.065   9.383  -8.812
  694    H    ALA  92           HN       ALA  92   3.025  11.285  -6.627
  695    HA   ALA  92           HA       ALA  92   1.755  10.271  -4.200
  696   1HB   ALA  92           HB1      ALA  92   2.906  12.928  -5.050
  697   2HB   ALA  92           HB3      ALA  92   2.076  12.740  -3.506
  698   3HB   ALA  92           HB2      ALA  92   3.534  11.806  -3.849
  699    H    ASN  93           HN       ASN  93  -0.306   9.839  -5.709
  700    HA   ASN  93           HA       ASN  93  -2.079  12.266  -5.526
  701   1HB   ASN  93           HB2      ASN  93  -1.673  11.502  -7.882
  702   2HB   ASN  93           HB1      ASN  93  -2.376   9.941  -7.448
  703   1HD2  ASN  93          HD22      ASN  93  -4.819  13.076  -8.198
  704   2HD2  ASN  93          HD21      ASN  93  -3.135  13.194  -8.371
  705    H    LYS  94           HN       LYS  94  -2.985  11.858  -3.537
  706    HA   LYS  94           HA       LYS  94  -3.674   9.245  -2.572
  707   1HB   LYS  94           HB2      LYS  94  -5.018  10.541  -0.906
  708   2HB   LYS  94           HB1      LYS  94  -3.331  11.011  -1.000
  709   1HG   LYS  94           HG2      LYS  94  -5.078  12.521  -2.856
  710   2HG   LYS  94           HG1      LYS  94  -5.508  12.753  -1.175
  711   1HD   LYS  94           HD2      LYS  94  -3.026  13.256  -0.761
  712   2HD   LYS  94           HD1      LYS  94  -2.858  13.321  -2.521
  713   1HE   LYS  94           HE2      LYS  94  -4.585  15.059  -2.631
  714   2HE   LYS  94           HE1      LYS  94  -4.802  14.972  -0.883
  715   1HZ   LYS  94           HZ3      LYS  94  -2.350  15.511  -0.751
  716   2HZ   LYS  94           HZ2      LYS  94  -2.440  15.919  -2.396
  717   3HZ   LYS  94           HZ1      LYS  94  -3.370  16.769  -1.254
  718    H    GLU  95           HN       GLU  95  -5.521  11.647  -4.415
  719    HA   GLU  95           HA       GLU  95  -8.097  10.457  -4.000
  720   1HB   GLU  95           HB2      GLU  95  -7.071  12.086  -6.346
  721   2HB   GLU  95           HB1      GLU  95  -8.761  11.723  -6.021
  722   1HG   GLU  95           HG2      GLU  95  -6.948  13.190  -4.090
  723   2HG   GLU  95           HG1      GLU  95  -8.066  13.982  -5.198
  724    H    LYS  96           HN       LYS  96  -5.462   9.744  -6.143
  725    HA   LYS  96           HA       LYS  96  -6.788   8.172  -8.092
  726   1HB   LYS  96           HB2      LYS  96  -4.396   8.990  -8.099
  727   2HB   LYS  96           HB1      LYS  96  -4.012   7.704  -6.974
  728   1HG   LYS  96           HG2      LYS  96  -4.522   6.017  -8.543
  729   2HG   LYS  96           HG1      LYS  96  -5.358   7.144  -9.614
  730   1HD   LYS  96           HD2      LYS  96  -3.204   8.331 -10.003
  731   2HD   LYS  96           HD1      LYS  96  -2.387   7.138  -8.999
  732   1HE   LYS  96           HE2      LYS  96  -3.202   5.343 -10.550
  733   2HE   LYS  96           HE1      LYS  96  -3.877   6.598 -11.587
  734   1HZ   LYS  96           HZ1      LYS  96  -1.075   6.854 -10.812
  735   2HZ   LYS  96           HZ3      LYS  96  -1.460   5.646 -11.938
  736   3HZ   LYS  96           HZ2      LYS  96  -1.842   7.268 -12.269
  737    H    LEU  97           HN       LEU  97  -5.512   7.381  -4.892
  738    HA   LEU  97           HA       LEU  97  -5.808   4.568  -4.960
  739   1HB   LEU  97           HB2      LEU  97  -6.195   6.573  -2.720
  740   2HB   LEU  97           HB1      LEU  97  -6.244   4.839  -2.452
  741    HG   LEU  97           HG       LEU  97  -3.885   6.160  -3.767
  742   1HD1  LEU  97          HD12      LEU  97  -4.263   7.237  -1.583
  743   2HD1  LEU  97          HD11      LEU  97  -4.307   5.656  -0.814
  744   3HD1  LEU  97          HD13      LEU  97  -2.815   6.236  -1.550
  745   1HD2  LEU  97          HD23      LEU  97  -4.549   3.471  -3.428
  746   2HD2  LEU  97          HD22      LEU  97  -2.921   4.082  -3.659
  747   3HD2  LEU  97          HD21      LEU  97  -3.518   3.780  -2.033
  748    H    GLU  98           HN       GLU  98  -8.085   7.149  -4.282
  749    HA   GLU  98           HA       GLU  98 -10.264   5.531  -3.408
  750   1HB   GLU  98           HB2      GLU  98 -10.132   8.008  -3.166
  751   2HB   GLU  98           HB1      GLU  98 -10.404   8.164  -4.903
  752   1HG   GLU  98           HG2      GLU  98 -12.572   6.958  -4.645
  753   2HG   GLU  98           HG1      GLU  98 -12.310   6.904  -2.903
  754    H    ALA  99           HN       ALA  99  -9.376   6.619  -6.680
  755    HA   ALA  99           HA       ALA  99 -11.704   5.497  -7.936
  756   1HB   ALA  99           HB2      ALA  99 -10.251   7.243  -8.970
  757   2HB   ALA  99           HB1      ALA  99  -8.992   6.024  -9.178
  758   3HB   ALA  99           HB3      ALA  99 -10.527   5.862 -10.034
  759    H    THR 100           HN       THR 100  -8.401   4.212  -7.507
  760    HA   THR 100           HA       THR 100  -8.910   1.824  -9.007
  761    HB   THR 100           HB       THR 100  -6.923   2.132  -6.742
  762    HG1  THR 100           HG1      THR 100  -7.135   3.463  -9.041
  763   1HG2  THR 100          HG21      THR 100  -7.108   0.369  -9.195
  764   2HG2  THR 100          HG23      THR 100  -5.651   0.520  -8.212
  765   3HG2  THR 100          HG22      THR 100  -7.126  -0.144  -7.507
  766    H    ILE 101           HN       ILE 101  -9.248   2.578  -5.564
  767    HA   ILE 101           HA       ILE 101  -9.891  -0.070  -4.657
  768    HB   ILE 101           HB       ILE 101 -10.723   2.682  -3.673
  769   1HG1  ILE 101          HG12      ILE 101  -8.855   0.717  -2.328
  770   2HG1  ILE 101          HG11      ILE 101  -8.264   1.799  -3.589
  771   1HG2  ILE 101          HG21      ILE 101 -11.312  -0.071  -2.564
  772   2HG2  ILE 101          HG23      ILE 101 -11.240   1.346  -1.513
  773   3HG2  ILE 101          HG22      ILE 101 -12.428   1.276  -2.815
  774   1HD1  ILE 101          HD13      ILE 101  -9.160   3.740  -2.290
  775   2HD1  ILE 101          HD12      ILE 101  -9.618   2.628  -1.000
  776   3HD1  ILE 101          HD11      ILE 101  -7.917   2.850  -1.412
  777    H    ASN 102           HN       ASN 102 -11.938   2.644  -5.699
  778    HA   ASN 102           HA       ASN 102 -14.441   1.297  -5.556
  779   1HB   ASN 102           HB2      ASN 102 -14.220   3.747  -5.851
  780   2HB   ASN 102           HB1      ASN 102 -13.559   3.487  -7.465
  781   1HD2  ASN 102          HD22      ASN 102 -17.526   3.603  -7.027
  782   2HD2  ASN 102          HD21      ASN 102 -16.427   4.156  -5.855
  783    H    GLU 103           HN       GLU 103 -11.945   1.441  -8.018
  784    HA   GLU 103           HA       GLU 103 -13.423   0.206 -10.131
  785   1HB   GLU 103           HB2      GLU 103 -11.232   1.481 -10.307
  786   2HB   GLU 103           HB1      GLU 103 -10.436   0.053  -9.644
  787   1HG   GLU 103           HG2      GLU 103 -11.471  -1.297 -11.520
  788   2HG   GLU 103           HG1      GLU 103 -11.993   0.231 -12.234
  789    H    LEU 104           HN       LEU 104 -11.330  -1.111  -7.566
  790    HA   LEU 104           HA       LEU 104 -11.914  -3.876  -8.511
  791   1HB   LEU 104           HB2      LEU 104  -9.994  -2.859  -6.413
  792   2HB   LEU 104           HB1      LEU 104 -10.132  -4.536  -6.933
  793    HG   LEU 104           HG       LEU 104  -9.392  -2.198  -8.723
  794   1HD1  LEU 104          HD13      LEU 104  -7.741  -4.349  -7.383
  795   2HD1  LEU 104          HD12      LEU 104  -7.149  -3.391  -8.736
  796   3HD1  LEU 104          HD11      LEU 104  -7.574  -2.603  -7.217
  797   1HD2  LEU 104          HD21      LEU 104  -9.814  -5.152  -9.186
  798   2HD2  LEU 104          HD23      LEU 104 -10.331  -3.787 -10.178
  799   3HD2  LEU 104          HD22      LEU 104  -8.642  -4.275 -10.174
  800    H    VAL 105           HN       VAL 105 -13.299  -1.710  -6.348
  801    HA   VAL 105           HA       VAL 105 -13.679  -3.395  -4.052
  802    HB   VAL 105           HB       VAL 105 -14.221  -0.889  -4.230
  803   1HG1  VAL 105          HG11      VAL 105 -15.724  -1.379  -6.318
  804   2HG1  VAL 105          HG13      VAL 105 -16.952  -1.793  -5.127
  805   3HG1  VAL 105          HG12      VAL 105 -16.261  -0.174  -5.152
  806   1HG2  VAL 105          HG23      VAL 105 -14.805  -2.316  -2.279
  807   2HG2  VAL 105          HG22      VAL 105 -16.004  -1.055  -2.560
  808   3HG2  VAL 105          HG21      VAL 105 -16.339  -2.714  -3.055
  809    HA   PRO  59           HA       PRO 106  14.537  16.440 -13.448
  810   1HB   PRO  59           HB2      PRO 106  17.018  16.485 -11.759
  811   2HB   PRO  59           HB1      PRO 106  16.805  15.928 -13.432
  812   1HG   PRO  59           HG2      PRO 106  17.996  18.247 -12.899
  813   2HG   PRO  59           HG1      PRO 106  16.921  18.068 -14.299
  814   1HD   PRO  59           HD2      PRO 106  16.389  19.425 -11.675
  815   2HD   PRO  59           HD1      PRO 106  15.818  19.856 -13.305
  816    H    ALA  60           HN       ALA 107  14.892  17.554 -10.124
  817    HA   ALA  60           HA       ALA 107  14.188  14.866  -9.056
  818   1HB   ALA  60           HB1      ALA 107  14.975  17.473  -7.722
  819   2HB   ALA  60           HB3      ALA 107  14.526  16.015  -6.835
  820   3HB   ALA  60           HB2      ALA 107  15.958  16.017  -7.867
  821    H    THR  61           HN       THR 108  12.052  14.413  -8.757
  822    HA   THR  61           HA       THR 108  10.109  16.690  -8.608
  823    HB   THR  61           HB       THR 108   9.551  13.735  -9.032
  824    HG1  THR  61           HG1      THR 108  10.875  14.960 -10.650
  825   1HG2  THR  61          HG23      THR 108   7.703  15.293  -8.212
  826   2HG2  THR  61          HG22      THR 108   7.855  16.134  -9.753
  827   3HG2  THR  61          HG21      THR 108   7.375  14.438  -9.716
  828    H    LEU  62           HN       LEU 109   9.144  17.136  -6.686
  829    HA   LEU  62           HA       LEU 109   9.808  15.654  -4.299
  830   1HB   LEU  62           HB2      LEU 109   7.755  17.811  -4.861
  831   2HB   LEU  62           HB1      LEU 109   8.020  17.139  -3.253
  832    HG   LEU  62           HG       LEU 109  10.257  18.332  -4.909
  833   1HD1  LEU  62          HD12      LEU 109   8.409  19.667  -2.911
  834   2HD1  LEU  62          HD11      LEU 109   9.940  20.363  -3.446
  835   3HD1  LEU  62          HD13      LEU 109   8.637  20.100  -4.605
  836   1HD2  LEU  62          HD21      LEU 109   9.910  17.486  -2.024
  837   2HD2  LEU  62          HD23      LEU 109  11.201  17.065  -3.151
  838   3HD2  LEU  62          HD22      LEU 109  11.126  18.685  -2.468
  839    H    LYS  63           HN       LYS 110   7.148  15.603  -6.552
  840    HA   LYS  63           HA       LYS 110   5.235  14.190  -4.981
  841   1HB   LYS  63           HB2      LYS 110   5.707  14.059  -7.979
  842   2HB   LYS  63           HB1      LYS 110   4.239  13.548  -7.151
  843   1HG   LYS  63           HG2      LYS 110   5.359  16.368  -7.194
  844   2HG   LYS  63           HG1      LYS 110   3.962  15.806  -8.107
  845   1HD   LYS  63           HD2      LYS 110   3.039  15.116  -5.739
  846   2HD   LYS  63           HD1      LYS 110   4.236  16.265  -5.142
  847   1HE   LYS  63           HE2      LYS 110   3.262  18.044  -6.499
  848   2HE   LYS  63           HE1      LYS 110   2.115  16.909  -7.210
  849   1HZ   LYS  63           HZ2      LYS 110   2.267  17.278  -4.286
  850   2HZ   LYS  63           HZ1      LYS 110   1.349  18.335  -5.249
  851   3HZ   LYS  63           HZ3      LYS 110   0.982  16.680  -5.220
  852    H    ILE  64           HN       ILE 111   8.198  13.169  -6.424
  853    HA   ILE  64           HA       ILE 111   7.596  10.307  -5.694
  854    HB   ILE  64           HB       ILE 111   9.068  11.351  -8.145
  855   1HG1  ILE  64          HG12      ILE 111   6.618  11.289  -8.366
  856   2HG1  ILE  64          HG11      ILE 111   7.367  10.069  -9.388
  857   1HG2  ILE  64          HG23      ILE 111   8.897   8.575  -6.968
  858   2HG2  ILE  64          HG22      ILE 111   9.289   8.858  -8.663
  859   3HG2  ILE  64          HG21      ILE 111  10.347   9.486  -7.398
  860   1HD1  ILE  64          HD13      ILE 111   6.961   8.569  -7.165
  861   2HD1  ILE  64          HD12      ILE 111   5.665   9.740  -6.965
  862   3HD1  ILE  64          HD11      ILE 111   5.740   8.752  -8.421
  863    H    CYS  65           HN       CYS 112   9.344   9.254  -4.611
  864    HA   CYS  65           HA       CYS 112  11.716  10.975  -3.988
  865   1HB   CYS  65           HB2      CYS 112  11.035   8.365  -2.614
  866   2HB   CYS  65           HB1      CYS 112  12.079   9.656  -2.035
  867    H    SER  66           HN       SER 113  13.619  10.444  -4.986
  868    HA   SER  66           HA       SER 113  13.720   8.153  -6.791
  869   1HB   SER  66           HB2      SER 113  15.853  10.128  -5.938
  870   2HB   SER  66           HB1      SER 113  16.044   8.938  -7.221
  871    HG   SER  66           HG       SER 113  13.982  10.894  -7.123
  872    H    TRP  67           HN       TRP 114  14.949   6.268  -6.574
  873    HA   TRP  67           HA       TRP 114  15.569   5.438  -3.837
  874   1HB   TRP  67           HB2      TRP 114  15.819   4.041  -6.523
  875   2HB   TRP  67           HB1      TRP 114  16.272   3.285  -4.991
  876    HD1  TRP  67           HD1      TRP 114  13.226   5.305  -6.249
  877    HE1  TRP  67           HE1      TRP 114  11.094   4.163  -5.376
  878    HE3  TRP  67           HE3      TRP 114  15.281   1.390  -3.707
  879    HZ2  TRP  67           HZ2      TRP 114  10.380   1.909  -3.805
  880    HZ3  TRP  67           HZ3      TRP 114  13.845  -0.247  -2.545
  881    HH2  TRP  67           HH2      TRP 114  11.388   0.010  -2.607
  882    H    ASN  68           HN       ASN 115  17.276   6.901  -6.427
  883    HA   ASN  68           HA       ASN 115  19.901   5.885  -6.051
  884   1HB   ASN  68           HB2      ASN 115  18.930   8.671  -6.799
  885   2HB   ASN  68           HB1      ASN 115  20.626   8.168  -6.877
  886   1HD2  ASN  68          HD22      ASN 115  18.745   5.523  -9.216
  887   2HD2  ASN  68          HD21      ASN 115  18.740   5.459  -7.520
  888    H    VAL  69           HN       VAL 116  17.849   7.519  -3.956
  889    HA   VAL  69           HA       VAL 116  19.665   9.083  -2.393
  890    HB   VAL  69           HB       VAL 116  17.208   9.301  -2.265
  891   1HG1  VAL  69          HG11      VAL 116  16.914   6.734  -2.479
  892   2HG1  VAL  69          HG13      VAL 116  17.140   6.697  -0.733
  893   3HG1  VAL  69          HG12      VAL 116  15.795   7.599  -1.436
  894   1HG2  VAL  69          HG23      VAL 116  18.827   9.770  -0.273
  895   2HG2  VAL  69          HG22      VAL 116  17.096   9.706   0.050
  896   3HG2  VAL  69          HG21      VAL 116  18.118   8.320   0.442
  897    H    ASP  70           HN       ASP 117  20.884   8.498  -0.562
  898    HA   ASP  70           HA       ASP 117  21.944   5.868  -0.436
  899   1HB   ASP  70           HB2      ASP 117  21.934   8.119   1.589
  900   2HB   ASP  70           HB1      ASP 117  22.835   6.617   1.818
  901    H    GLY  71           HN       GLY 118  19.343   7.416   1.429
  902   1HA   GLY  71           HA2      GLY 118  17.666   6.448   2.756
  903   2HA   GLY  71           HA1      GLY 118  18.025   4.928   1.937
   
  No H/Q in entry =         903
  Start of MODEL   23
    1   1H    MET   1           HT3      MET   1  -8.594  -1.227   9.384
    2   2H    MET   1           HT2      MET   1  -8.873  -1.748  10.977
    3   3H    MET   1           HT1      MET   1  -9.434  -0.227  10.466
    4    HA   MET   1           HA       MET   1  -7.494   0.767  10.856
    5   1HB   MET   1           HB2      MET   1  -6.927  -1.935  12.127
    6   2HB   MET   1           HB1      MET   1  -6.013  -0.460  12.449
    7   1HG   MET   1           HG2      MET   1  -8.997  -0.753  12.894
    8   2HG   MET   1           HG1      MET   1  -7.786  -0.907  14.163
    9   1HE   MET   1           HE3      MET   1  -6.155   0.622  14.756
   10   2HE   MET   1           HE2      MET   1  -5.621   1.646  13.428
   11   3HE   MET   1           HE1      MET   1  -6.365   2.375  14.849
   12    H    VAL   2           HN       VAL   2  -4.936   0.441  10.704
   13    HA   VAL   2           HA       VAL   2  -4.439  -0.763   8.013
   14    HB   VAL   2           HB       VAL   2  -2.852   1.205   9.694
   15   1HG1  VAL   2          HG11      VAL   2  -2.239  -0.172   7.073
   16   2HG1  VAL   2          HG13      VAL   2  -1.506   1.373   7.501
   17   3HG1  VAL   2          HG12      VAL   2  -1.217  -0.046   8.504
   18   1HG2  VAL   2          HG21      VAL   2  -4.494   1.404   7.154
   19   2HG2  VAL   2          HG23      VAL   2  -4.754   2.262   8.674
   20   3HG2  VAL   2          HG22      VAL   2  -3.363   2.656   7.666
   21    H    LYS   3           HN       LYS   3  -2.318  -1.914   7.746
   22    HA   LYS   3           HA       LYS   3  -1.427  -3.344  10.233
   23   1HB   LYS   3           HB2      LYS   3  -2.953  -4.739   8.746
   24   2HB   LYS   3           HB1      LYS   3  -1.754  -4.569   7.468
   25   1HG   LYS   3           HG2      LYS   3  -1.092  -6.598   8.399
   26   2HG   LYS   3           HG1      LYS   3  -0.089  -5.484   9.321
   27   1HD   LYS   3           HD2      LYS   3  -1.936  -5.448  11.071
   28   2HD   LYS   3           HD1      LYS   3  -2.684  -6.775  10.186
   29   1HE   LYS   3           HE2      LYS   3  -1.301  -7.688  11.978
   30   2HE   LYS   3           HE1      LYS   3  -0.571  -8.080  10.422
   31   1HZ   LYS   3           HZ2      LYS   3   0.229  -5.570  11.668
   32   2HZ   LYS   3           HZ1      LYS   3   0.794  -7.000  12.393
   33   3HZ   LYS   3           HZ3      LYS   3   1.148  -6.679  10.765
   34    H    GLN   4           HN       GLN   4   0.777  -3.198  10.469
   35    HA   GLN   4           HA       GLN   4   2.354  -2.074   8.204
   36   1HB   GLN   4           HB2      GLN   4   2.543  -0.992  10.433
   37   2HB   GLN   4           HB1      GLN   4   3.109  -2.513  11.118
   38   1HG   GLN   4           HG2      GLN   4   5.054  -2.471   9.568
   39   2HG   GLN   4           HG1      GLN   4   4.495  -0.928   8.927
   40   1HE2  GLN   4          HE22      GLN   4   6.610   0.537  11.375
   41   2HE2  GLN   4          HE21      GLN   4   6.359   0.267   9.719
   42    H    ILE   5           HN       ILE   5   3.495  -3.457   6.957
   43    HA   ILE   5           HA       ILE   5   4.109  -6.201   7.977
   44    HB   ILE   5           HB       ILE   5   4.357  -5.127   5.156
   45   1HG1  ILE   5          HG12      ILE   5   2.041  -4.828   5.788
   46   2HG1  ILE   5          HG11      ILE   5   2.144  -6.276   4.791
   47   1HG2  ILE   5          HG22      ILE   5   5.553  -7.230   5.723
   48   2HG2  ILE   5          HG21      ILE   5   4.021  -7.928   6.253
   49   3HG2  ILE   5          HG23      ILE   5   4.250  -7.483   4.568
   50   1HD1  ILE   5          HD13      ILE   5   2.372  -7.565   7.029
   51   2HD1  ILE   5          HD12      ILE   5   1.776  -6.086   7.779
   52   3HD1  ILE   5          HD11      ILE   5   0.782  -6.939   6.602
   53    H    GLU   6           HN       GLU   6   6.199  -6.362   8.785
   54    HA   GLU   6           HA       GLU   6   8.245  -4.431   7.818
   55   1HB   GLU   6           HB2      GLU   6   8.303  -6.376  10.147
   56   2HB   GLU   6           HB1      GLU   6   9.528  -5.162   9.774
   57   1HG   GLU   6           HG2      GLU   6   8.210  -4.057  11.369
   58   2HG   GLU   6           HG1      GLU   6   7.551  -3.465   9.849
   59    H    SER   7           HN       SER   7   7.207  -7.483   6.990
   60    HA   SER   7           HA       SER   7   9.785  -8.051   5.667
   61   1HB   SER   7           HB2      SER   7   9.939 -10.352   6.568
   62   2HB   SER   7           HB1      SER   7  10.099  -9.142   7.846
   63    HG   SER   7           HG       SER   7   8.594 -10.991   8.170
   64    H    LYS   8           HN       LYS   8   9.614  -9.754   4.062
   65    HA   LYS   8           HA       LYS   8   7.140  -9.739   2.606
   66   1HB   LYS   8           HB2      LYS   8   9.460 -10.209   1.659
   67   2HB   LYS   8           HB1      LYS   8   9.326 -11.816   2.373
   68   1HG   LYS   8           HG2      LYS   8   7.086 -12.001   1.115
   69   2HG   LYS   8           HG1      LYS   8   7.628 -10.592   0.201
   70   1HD   LYS   8           HD2      LYS   8   9.041 -13.270   0.407
   71   2HD   LYS   8           HD1      LYS   8   8.263 -12.596  -1.025
   72   1HE   LYS   8           HE2      LYS   8   9.895 -10.603  -0.712
   73   2HE   LYS   8           HE1      LYS   8  10.796 -11.696   0.336
   74   1HZ   LYS   8           HZ1      LYS   8  10.915 -13.287  -1.477
   75   2HZ   LYS   8           HZ3      LYS   8  10.051 -12.234  -2.488
   76   3HZ   LYS   8           HZ2      LYS   8  11.600 -11.802  -1.937
   77    H    THR   9           HN       THR   9   8.530 -11.907   5.011
   78    HA   THR   9           HA       THR   9   6.807 -14.115   4.631
   79    HB   THR   9           HB       THR   9   7.884 -13.056   7.254
   80    HG1  THR   9           HG1      THR   9   9.612 -13.486   6.023
   81   1HG2  THR   9          HG21      THR   9   6.801 -15.759   6.420
   82   2HG2  THR   9          HG23      THR   9   7.685 -15.475   7.920
   83   3HG2  THR   9          HG22      THR   9   6.136 -14.679   7.645
   84    H    ALA  10           HN       ALA  10   6.385 -11.243   6.691
   85    HA   ALA  10           HA       ALA  10   3.717 -11.983   7.517
   86   1HB   ALA  10           HB3      ALA  10   5.288  -9.400   7.559
   87   2HB   ALA  10           HB2      ALA  10   3.587  -9.433   8.029
   88   3HB   ALA  10           HB1      ALA  10   4.768 -10.393   8.921
   89    H    PHE  11           HN       PHE  11   5.062 -10.262   4.762
   90    HA   PHE  11           HA       PHE  11   2.685  -9.017   3.806
   91   1HB   PHE  11           HB2      PHE  11   5.049  -8.757   2.878
   92   2HB   PHE  11           HB1      PHE  11   4.838 -10.308   2.093
   93    HD1  PHE  11           HD1      PHE  11   3.058  -7.016   2.457
   94    HD2  PHE  11           HD2      PHE  11   3.995 -10.355  -0.083
   95    HE1  PHE  11           HE1      PHE  11   1.889  -5.916   0.570
   96    HE2  PHE  11           HE2      PHE  11   2.830  -9.253  -1.967
   97    HZ   PHE  11           HZ       PHE  11   1.777  -7.034  -1.639
   98    H    GLN  12           HN       GLN  12   4.022 -12.263   3.258
   99    HA   GLN  12           HA       GLN  12   1.929 -13.164   1.503
  100   1HB   GLN  12           HB2      GLN  12   3.742 -14.713   3.396
  101   2HB   GLN  12           HB1      GLN  12   2.751 -15.441   2.132
  102   1HG   GLN  12           HG2      GLN  12   4.913 -13.364   1.652
  103   2HG   GLN  12           HG1      GLN  12   5.115 -15.101   1.414
  104   1HE2  GLN  12          HE22      GLN  12   2.706 -15.095  -1.384
  105   2HE2  GLN  12          HE21      GLN  12   2.964 -15.973   0.046
  106    H    GLU  13           HN       GLU  13   2.402 -13.349   5.019
  107    HA   GLU  13           HA       GLU  13   0.037 -14.874   5.594
  108   1HB   GLU  13           HB2      GLU  13   1.592 -12.910   7.309
  109   2HB   GLU  13           HB1      GLU  13   0.355 -13.995   7.918
  110   1HG   GLU  13           HG2      GLU  13   2.860 -14.901   6.475
  111   2HG   GLU  13           HG1      GLU  13   2.660 -14.903   8.229
  112    H    ALA  14           HN       ALA  14   0.617 -11.405   5.255
  113    HA   ALA  14           HA       ALA  14  -1.961 -10.623   6.269
  114   1HB   ALA  14           HB1      ALA  14   0.008  -9.087   6.058
  115   2HB   ALA  14           HB3      ALA  14  -0.205  -9.118   4.308
  116   3HB   ALA  14           HB2      ALA  14  -1.466  -8.440   5.339
  117    H    LEU  15           HN       LEU  15  -0.723 -11.309   3.006
  118    HA   LEU  15           HA       LEU  15  -3.079 -10.580   1.590
  119   1HB   LEU  15           HB2      LEU  15  -0.955 -12.660   1.019
  120   2HB   LEU  15           HB1      LEU  15  -2.222 -12.236  -0.126
  121    HG   LEU  15           HG       LEU  15  -0.351 -10.187   1.078
  122   1HD1  LEU  15          HD12      LEU  15  -0.063 -11.869  -1.415
  123   2HD1  LEU  15          HD11      LEU  15   0.783 -10.334  -1.207
  124   3HD1  LEU  15          HD13      LEU  15   1.092 -11.669  -0.097
  125   1HD2  LEU  15          HD22      LEU  15  -2.363 -10.202  -1.175
  126   2HD2  LEU  15          HD21      LEU  15  -2.192  -9.045   0.140
  127   3HD2  LEU  15          HD23      LEU  15  -1.030  -9.051  -1.181
  128    H    ASP  16           HN       ASP  16  -2.072 -13.577   3.162
  129    HA   ASP  16           HA       ASP  16  -4.341 -15.130   2.323
  130   1HB   ASP  16           HB2      ASP  16  -2.103 -15.981   3.245
  131   2HB   ASP  16           HB1      ASP  16  -2.733 -15.587   4.846
  132    H    ALA  17           HN       ALA  17  -3.698 -13.066   5.127
  133    HA   ALA  17           HA       ALA  17  -6.036 -13.846   6.618
  134   1HB   ALA  17           HB2      ALA  17  -4.113 -12.719   7.671
  135   2HB   ALA  17           HB1      ALA  17  -4.450 -11.266   6.733
  136   3HB   ALA  17           HB3      ALA  17  -5.602 -11.817   7.950
  137    H    ALA  18           HN       ALA  18  -5.450 -11.333   4.196
  138    HA   ALA  18           HA       ALA  18  -7.895  -9.896   4.557
  139   1HB   ALA  18           HB2      ALA  18  -6.108 -10.301   2.156
  140   2HB   ALA  18           HB1      ALA  18  -7.527  -9.256   2.114
  141   3HB   ALA  18           HB3      ALA  18  -6.198  -8.891   3.212
  142    H    GLY  19           HN       GLY  19  -7.120 -12.826   2.759
  143   1HA   GLY  19           HA2      GLY  19  -8.551 -14.444   1.842
  144   2HA   GLY  19           HA1      GLY  19  -9.876 -13.664   2.706
  145    H    ASP  20           HN       ASP  20 -11.444 -13.082   1.259
  146    HA   ASP  20           HA       ASP  20 -10.684 -12.423  -1.520
  147   1HB   ASP  20           HB2      ASP  20 -13.411 -12.649  -0.219
  148   2HB   ASP  20           HB1      ASP  20 -13.099 -12.458  -1.944
  149    H    LYS  21           HN       LYS  21 -10.767 -10.649   1.246
  150    HA   LYS  21           HA       LYS  21 -12.299  -8.344   0.334
  151   1HB   LYS  21           HB2      LYS  21 -10.177  -8.584   2.495
  152   2HB   LYS  21           HB1      LYS  21 -11.187  -7.163   2.225
  153   1HG   LYS  21           HG2      LYS  21 -13.184  -8.839   2.470
  154   2HG   LYS  21           HG1      LYS  21 -11.989  -9.888   3.233
  155   1HD   LYS  21           HD2      LYS  21 -11.406  -7.942   4.759
  156   2HD   LYS  21           HD1      LYS  21 -12.823  -7.113   4.111
  157   1HE   LYS  21           HE2      LYS  21 -14.179  -9.160   4.769
  158   2HE   LYS  21           HE1      LYS  21 -12.753  -9.719   5.643
  159   1HZ   LYS  21           HZ2      LYS  21 -13.496  -6.978   6.170
  160   2HZ   LYS  21           HZ1      LYS  21 -14.639  -8.124   6.688
  161   3HZ   LYS  21           HZ3      LYS  21 -13.040  -8.208   7.249
  162    H    LEU  22           HN       LEU  22 -11.404  -6.346  -0.462
  163    HA   LEU  22           HA       LEU  22  -9.243  -6.595  -2.292
  164   1HB   LEU  22           HB2      LEU  22 -11.209  -4.718  -1.775
  165   2HB   LEU  22           HB1      LEU  22  -9.781  -3.882  -1.199
  166    HG   LEU  22           HG       LEU  22 -10.216  -4.994  -3.972
  167   1HD1  LEU  22          HD13      LEU  22 -10.652  -2.372  -2.708
  168   2HD1  LEU  22          HD12      LEU  22  -9.575  -2.263  -4.092
  169   3HD1  LEU  22          HD11      LEU  22 -11.176  -2.966  -4.279
  170   1HD2  LEU  22          HD21      LEU  22  -7.769  -3.831  -2.629
  171   2HD2  LEU  22          HD23      LEU  22  -7.889  -5.289  -3.616
  172   3HD2  LEU  22          HD22      LEU  22  -7.989  -3.703  -4.370
  173    H    VAL  23           HN       VAL  23  -7.081  -5.505  -2.067
  174    HA   VAL  23           HA       VAL  23  -6.227  -4.945   0.710
  175    HB   VAL  23           HB       VAL  23  -4.913  -7.000  -1.092
  176   1HG1  VAL  23          HG12      VAL  23  -4.115  -5.736   1.529
  177   2HG1  VAL  23          HG11      VAL  23  -3.478  -7.297   1.019
  178   3HG1  VAL  23          HG13      VAL  23  -3.172  -5.860   0.046
  179   1HG2  VAL  23          HG21      VAL  23  -6.427  -7.216   1.520
  180   2HG2  VAL  23          HG23      VAL  23  -6.839  -7.967  -0.022
  181   3HG2  VAL  23          HG22      VAL  23  -5.416  -8.505   0.869
  182    H    VAL  24           HN       VAL  24  -5.175  -3.046   0.580
  183    HA   VAL  24           HA       VAL  24  -3.765  -2.372  -1.976
  184    HB   VAL  24           HB       VAL  24  -4.612  -0.468   0.236
  185   1HG1  VAL  24          HG12      VAL  24  -2.768   0.224  -1.335
  186   2HG1  VAL  24          HG11      VAL  24  -3.901   0.029  -2.672
  187   3HG1  VAL  24          HG13      VAL  24  -4.202   1.247  -1.430
  188   1HG2  VAL  24          HG21      VAL  24  -6.022  -1.219  -2.342
  189   2HG2  VAL  24          HG23      VAL  24  -6.613  -1.503  -0.707
  190   3HG2  VAL  24          HG22      VAL  24  -6.469   0.144  -1.318
  191    H    VAL  25           HN       VAL  25  -1.558  -1.802  -1.846
  192    HA   VAL  25           HA       VAL  25  -0.273  -2.051   0.864
  193    HB   VAL  25           HB       VAL  25   0.897  -2.941  -1.789
  194   1HG1  VAL  25          HG12      VAL  25   2.491  -2.241   0.034
  195   2HG1  VAL  25          HG11      VAL  25   1.789  -3.505   1.044
  196   3HG1  VAL  25          HG13      VAL  25   2.642  -3.933  -0.437
  197   1HG2  VAL  25          HG21      VAL  25  -1.088  -4.303  -0.960
  198   2HG2  VAL  25          HG23      VAL  25   0.418  -5.198  -1.149
  199   3HG2  VAL  25          HG22      VAL  25  -0.114  -4.697   0.455
  200    H    ASP  26           HN       ASP  26   0.627  -0.152   1.407
  201    HA   ASP  26           HA       ASP  26   1.431   1.759  -0.747
  202   1HB   ASP  26           HB2      ASP  26  -0.020   2.622   1.039
  203   2HB   ASP  26           HB1      ASP  26   1.173   2.161   2.254
  204    H    PHE  27           HN       PHE  27   3.516   1.784  -1.328
  205    HA   PHE  27           HA       PHE  27   5.600   0.630   0.457
  206   1HB   PHE  27           HB2      PHE  27   5.521   1.342  -2.481
  207   2HB   PHE  27           HB1      PHE  27   7.030   0.935  -1.656
  208    HD1  PHE  27           HD1      PHE  27   7.264  -1.288  -0.527
  209    HD2  PHE  27           HD2      PHE  27   3.959  -0.354  -3.106
  210    HE1  PHE  27           HE1      PHE  27   6.779  -3.706  -0.778
  211    HE2  PHE  27           HE2      PHE  27   3.471  -2.770  -3.342
  212    HZ   PHE  27           HZ       PHE  27   4.877  -4.447  -2.187
  213    H    SER  28           HN       SER  28   4.336   3.377   0.748
  214    HA   SER  28           HA       SER  28   6.126   5.390  -0.089
  215   1HB   SER  28           HB2      SER  28   4.522   5.280   2.480
  216   2HB   SER  28           HB1      SER  28   5.224   6.728   1.772
  217    HG   SER  28           HG       SER  28   2.887   6.014   1.299
  218    H    ALA  29           HN       ALA  29   7.992   6.249   0.745
  219    HA   ALA  29           HA       ALA  29   9.523   4.534   2.568
  220   1HB   ALA  29           HB3      ALA  29  10.079   6.894   0.816
  221   2HB   ALA  29           HB2      ALA  29  11.121   6.713   2.227
  222   3HB   ALA  29           HB1      ALA  29  11.022   5.422   1.029
  223    H    THR  30           HN       THR  30   9.519   4.836   4.745
  224    HA   THR  30           HA       THR  30   7.958   6.946   5.928
  225    HB   THR  30           HB       THR  30   8.322   4.787   7.071
  226    HG1  THR  30           HG1      THR  30   8.817   5.661   9.089
  227   1HG2  THR  30          HG22      THR  30  10.731   4.611   6.197
  228   2HG2  THR  30          HG21      THR  30  11.172   5.657   7.546
  229   3HG2  THR  30          HG23      THR  30  10.450   4.080   7.854
  230    H    TRP  31           HN       TRP  31  11.380   6.505   5.191
  231    HA   TRP  31           HA       TRP  31  12.322   8.805   6.677
  232   1HB   TRP  31           HB2      TRP  31  14.373   8.550   5.356
  233   2HB   TRP  31           HB1      TRP  31  13.823   6.991   5.965
  234    HD1  TRP  31           HD1      TRP  31  13.019   5.208   4.249
  235    HE1  TRP  31           HE1      TRP  31  13.168   5.025   1.688
  236    HE3  TRP  31           HE3      TRP  31  14.186  10.042   3.095
  237    HZ2  TRP  31           HZ2      TRP  31  13.674   6.719  -0.560
  238    HZ3  TRP  31           HZ3      TRP  31  14.476  10.731   0.736
  239    HH2  TRP  31           HH2      TRP  31  14.223   9.079  -1.093
  240    H    CYS  32           HN       CYS  32  10.833   8.431   3.535
  241    HA   CYS  32           HA       CYS  32  11.752  11.073   2.614
  242   1HB   CYS  32           HB2      CYS  32  11.199   8.966   1.153
  243   2HB   CYS  32           HB1      CYS  32   9.526   9.461   1.361
  244    H    GLY  33           HN       GLY  33  10.762  12.907   3.233
  245   1HA   GLY  33           HA2      GLY  33   8.497  12.889   4.979
  246   2HA   GLY  33           HA1      GLY  33   9.192  14.327   4.235
  247    HA   PRO  34           HA       PRO  34   6.060  14.733   1.160
  248   1HB   PRO  34           HB2      PRO  34   7.483  13.229  -0.990
  249   2HB   PRO  34           HB1      PRO  34   6.880  14.894  -0.991
  250   1HG   PRO  34           HG2      PRO  34   9.529  14.307  -0.807
  251   2HG   PRO  34           HG1      PRO  34   8.819  15.741  -0.048
  252   1HD   PRO  34           HD2      PRO  34   9.777  13.224   1.227
  253   2HD   PRO  34           HD1      PRO  34   9.648  14.859   1.927
  254    H    ALA  35           HN       ALA  35   7.473  11.486   1.173
  255    HA   ALA  35           HA       ALA  35   5.062  10.187   0.191
  256   1HB   ALA  35           HB1      ALA  35   7.561   9.387   0.127
  257   2HB   ALA  35           HB3      ALA  35   7.205   8.743   1.728
  258   3HB   ALA  35           HB2      ALA  35   6.277   8.200   0.329
  259    H    LYS  36           HN       LYS  36   6.661  10.238   3.413
  260    HA   LYS  36           HA       LYS  36   4.566   8.868   4.778
  261   1HB   LYS  36           HB2      LYS  36   6.864   9.319   5.715
  262   2HB   LYS  36           HB1      LYS  36   6.368  10.993   5.972
  263   1HG   LYS  36           HG2      LYS  36   4.438  10.147   7.347
  264   2HG   LYS  36           HG1      LYS  36   5.103   8.522   7.196
  265   1HD   LYS  36           HD2      LYS  36   7.208   9.299   8.271
  266   2HD   LYS  36           HD1      LYS  36   6.503  10.905   8.461
  267   1HE   LYS  36           HE2      LYS  36   4.713   9.980   9.863
  268   2HE   LYS  36           HE1      LYS  36   5.357   8.354   9.634
  269   1HZ   LYS  36           HZ3      LYS  36   7.107  10.465  10.702
  270   2HZ   LYS  36           HZ2      LYS  36   5.988   9.712  11.736
  271   3HZ   LYS  36           HZ1      LYS  36   7.176   8.788  10.946
  272    H    MET  37           HN       MET  37   5.015  12.293   4.040
  273    HA   MET  37           HA       MET  37   2.944  13.356   5.666
  274   1HB   MET  37           HB2      MET  37   4.691  14.659   4.390
  275   2HB   MET  37           HB1      MET  37   3.769  14.349   2.922
  276   1HG   MET  37           HG2      MET  37   2.489  15.619   5.344
  277   2HG   MET  37           HG1      MET  37   3.333  16.583   4.135
  278   1HE   MET  37           HE3      MET  37   0.877  17.495   4.667
  279   2HE   MET  37           HE2      MET  37   1.282  18.003   3.030
  280   3HE   MET  37           HE1      MET  37  -0.320  17.354   3.373
  281    H    ILE  38           HN       ILE  38   2.845  11.745   2.564
  282    HA   ILE  38           HA       ILE  38   0.062  12.428   2.018
  283    HB   ILE  38           HB       ILE  38   1.963  10.440   0.743
  284   1HG1  ILE  38          HG12      ILE  38   0.950  13.053  -0.390
  285   2HG1  ILE  38          HG11      ILE  38   2.384  12.993   0.631
  286   1HG2  ILE  38          HG23      ILE  38  -0.894  11.183   0.138
  287   2HG2  ILE  38          HG22      ILE  38   0.191  10.736  -1.180
  288   3HG2  ILE  38          HG21      ILE  38  -0.127   9.595   0.125
  289   1HD1  ILE  38          HD13      ILE  38   3.374  11.317  -0.906
  290   2HD1  ILE  38          HD12      ILE  38   1.965  11.470  -1.949
  291   3HD1  ILE  38          HD11      ILE  38   3.043  12.848  -1.708
  292    H    LYS  39           HN       LYS  39   1.456  10.218   4.160
  293    HA   LYS  39           HA       LYS  39  -0.160   7.953   3.610
  294   1HB   LYS  39           HB2      LYS  39   0.551   6.955   5.582
  295   2HB   LYS  39           HB1      LYS  39   1.896   7.987   5.131
  296   1HG   LYS  39           HG2      LYS  39   1.203   9.665   6.786
  297   2HG   LYS  39           HG1      LYS  39  -0.210   8.711   7.212
  298   1HD   LYS  39           HD2      LYS  39   2.701   7.989   7.651
  299   2HD   LYS  39           HD1      LYS  39   1.489   8.336   8.881
  300   1HE   LYS  39           HE2      LYS  39   0.203   6.311   7.804
  301   2HE   LYS  39           HE1      LYS  39   1.794   5.879   7.174
  302   1HZ   LYS  39           HZ3      LYS  39   1.596   6.571  10.006
  303   2HZ   LYS  39           HZ2      LYS  39   0.981   5.064   9.520
  304   3HZ   LYS  39           HZ1      LYS  39   2.609   5.455   9.230
  305    HA   PRO  40           HA       PRO  40  -3.164   9.781   7.048
  306   1HB   PRO  40           HB2      PRO  40  -3.680  12.356   5.637
  307   2HB   PRO  40           HB1      PRO  40  -3.555  12.027   7.375
  308   1HG   PRO  40           HG2      PRO  40  -1.604  13.322   6.064
  309   2HG   PRO  40           HG1      PRO  40  -1.235  12.188   7.372
  310   1HD   PRO  40           HD2      PRO  40  -0.984  11.806   4.424
  311   2HD   PRO  40           HD1      PRO  40   0.070  11.189   5.711
  312    H    PHE  41           HN       PHE  41  -3.435  10.674   3.566
  313    HA   PHE  41           HA       PHE  41  -6.280  10.154   3.518
  314   1HB   PHE  41           HB2      PHE  41  -4.193  10.136   1.316
  315   2HB   PHE  41           HB1      PHE  41  -5.915   9.930   1.036
  316    HD1  PHE  41           HD2      PHE  41  -3.489  12.242   2.681
  317    HD2  PHE  41           HD1      PHE  41  -7.284  11.799   0.720
  318    HE1  PHE  41           HE2      PHE  41  -3.795  14.704   2.721
  319    HE2  PHE  41           HE1      PHE  41  -7.590  14.263   0.759
  320    HZ   PHE  41           HZ       PHE  41  -5.844  15.713   1.757
  321    H    PHE  42           HN       PHE  42  -3.415   8.234   2.709
  322    HA   PHE  42           HA       PHE  42  -4.758   5.852   1.915
  323   1HB   PHE  42           HB2      PHE  42  -2.405   6.221   1.461
  324   2HB   PHE  42           HB1      PHE  42  -2.038   6.299   3.188
  325    HD1  PHE  42           HD1      PHE  42  -3.279   4.051   0.480
  326    HD2  PHE  42           HD2      PHE  42  -1.701   4.338   4.465
  327    HE1  PHE  42           HE1      PHE  42  -3.017   1.586   0.557
  328    HE2  PHE  42           HE2      PHE  42  -1.436   1.875   4.542
  329    HZ   PHE  42           HZ       PHE  42  -2.099   0.496   2.589
  330    H    HIS  43           HN       HIS  43  -3.322   6.661   5.080
  331    HA   HIS  43           HA       HIS  43  -4.358   4.351   6.428
  332   1HB   HIS  43           HB2      HIS  43  -2.396   5.597   7.229
  333   2HB   HIS  43           HB1      HIS  43  -3.396   7.020   7.514
  334    HD1  HIS  43           HD1      HIS  43  -2.457   3.728   8.991
  335    HD2  HIS  43           HD2      HIS  43  -5.201   6.771   9.714
  336    HE1  HIS  43           HE1      HIS  43  -3.454   3.263  11.274
  337    H    SER  44           HN       SER  44  -5.565   7.703   6.169
  338    HA   SER  44           HA       SER  44  -7.714   7.429   8.020
  339   1HB   SER  44           HB2      SER  44  -7.537   9.204   5.577
  340   2HB   SER  44           HB1      SER  44  -8.724   9.369   6.866
  341    HG   SER  44           HG       SER  44  -7.203  10.594   7.695
  342    H    LEU  45           HN       LEU  45  -7.514   6.661   4.568
  343    HA   LEU  45           HA       LEU  45 -10.300   6.227   4.146
  344   1HB   LEU  45           HB2      LEU  45  -7.855   5.127   2.771
  345   2HB   LEU  45           HB1      LEU  45  -9.479   4.727   2.237
  346    HG   LEU  45           HG       LEU  45  -8.646   7.609   2.625
  347   1HD1  LEU  45          HD11      LEU  45  -7.003   6.568   1.093
  348   2HD1  LEU  45          HD13      LEU  45  -8.324   5.965   0.092
  349   3HD1  LEU  45          HD12      LEU  45  -8.050   7.701   0.239
  350   1HD2  LEU  45          HD23      LEU  45 -10.838   6.153   1.134
  351   2HD2  LEU  45          HD22      LEU  45 -10.977   7.461   2.308
  352   3HD2  LEU  45          HD21      LEU  45 -10.375   7.793   0.687
  353    H    SER  46           HN       SER  46  -7.949   4.353   5.833
  354    HA   SER  46           HA       SER  46  -8.942   1.742   5.496
  355   1HB   SER  46           HB2      SER  46  -7.960   3.014   8.072
  356   2HB   SER  46           HB1      SER  46  -8.083   1.286   7.767
  357    HG   SER  46           HG       SER  46  -6.757   2.458   5.759
  358    H    GLU  47           HN       GLU  47 -10.127   4.386   7.540
  359    HA   GLU  47           HA       GLU  47 -12.338   2.755   8.582
  360   1HB   GLU  47           HB2      GLU  47 -11.639   5.702   8.820
  361   2HB   GLU  47           HB1      GLU  47 -13.040   4.962   9.597
  362   1HG   GLU  47           HG2      GLU  47 -11.286   4.958  11.233
  363   2HG   GLU  47           HG1      GLU  47 -11.424   3.296  10.652
  364    H    LYS  48           HN       LYS  48 -11.736   4.684   5.766
  365    HA   LYS  48           HA       LYS  48 -14.531   5.424   5.299
  366   1HB   LYS  48           HB2      LYS  48 -12.607   6.706   4.298
  367   2HB   LYS  48           HB1      LYS  48 -12.236   5.294   3.313
  368   1HG   LYS  48           HG2      LYS  48 -13.528   6.777   1.933
  369   2HG   LYS  48           HG1      LYS  48 -14.581   5.435   2.368
  370   1HD   LYS  48           HD2      LYS  48 -15.812   6.741   3.903
  371   2HD   LYS  48           HD1      LYS  48 -14.549   7.968   4.014
  372   1HE   LYS  48           HE2      LYS  48 -15.011   8.693   1.721
  373   2HE   LYS  48           HE1      LYS  48 -16.201   7.405   1.526
  374   1HZ   LYS  48           HZ3      LYS  48 -16.914   8.751   3.826
  375   2HZ   LYS  48           HZ2      LYS  48 -16.516   9.967   2.707
  376   3HZ   LYS  48           HZ1      LYS  48 -17.701   8.811   2.324
  377    H    TYR  49           HN       TYR  49 -12.287   2.912   4.301
  378    HA   TYR  49           HA       TYR  49 -14.606   1.297   3.258
  379   1HB   TYR  49           HB2      TYR  49 -11.731   1.341   2.255
  380   2HB   TYR  49           HB1      TYR  49 -12.977   0.218   1.709
  381    HD1  TYR  49           HD2      TYR  49 -15.111   1.172   0.695
  382    HD2  TYR  49           HD1      TYR  49 -11.560   3.511   1.299
  383    HE1  TYR  49           HE2      TYR  49 -15.939   2.848  -0.933
  384    HE2  TYR  49           HE1      TYR  49 -12.387   5.185  -0.335
  385    HH   TYR  49           HH       TYR  49 -15.083   5.775  -1.153
  386    H    SER  50           HN       SER  50 -14.479   0.880   5.708
  387    HA   SER  50           HA       SER  50 -12.333  -0.602   6.847
  388   1HB   SER  50           HB2      SER  50 -13.837  -1.055   8.640
  389   2HB   SER  50           HB1      SER  50 -14.291   0.531   8.035
  390    HG   SER  50           HG       SER  50 -15.529  -1.966   7.556
  391    H    ASN  51           HN       ASN  51 -14.487  -1.420   4.399
  392    HA   ASN  51           HA       ASN  51 -14.493  -4.319   4.995
  393   1HB   ASN  51           HB2      ASN  51 -16.487  -3.128   3.962
  394   2HB   ASN  51           HB1      ASN  51 -15.508  -2.920   2.509
  395   1HD2  ASN  51          HD22      ASN  51 -16.093  -6.203   1.380
  396   2HD2  ASN  51          HD21      ASN  51 -15.537  -4.636   1.032
  397    H    VAL  52           HN       VAL  52 -12.251  -2.270   4.001
  398    HA   VAL  52           HA       VAL  52 -11.012  -4.192   2.075
  399    HB   VAL  52           HB       VAL  52 -10.944  -1.161   2.098
  400   1HG1  VAL  52          HG12      VAL  52  -9.091  -3.172   0.866
  401   2HG1  VAL  52          HG11      VAL  52  -9.499  -1.742  -0.085
  402   3HG1  VAL  52          HG13      VAL  52  -8.746  -1.567   1.498
  403   1HG2  VAL  52          HG22      VAL  52 -11.926  -3.237   0.118
  404   2HG2  VAL  52          HG21      VAL  52 -12.889  -2.029   0.974
  405   3HG2  VAL  52          HG23      VAL  52 -11.745  -1.526  -0.272
  406    H    ILE  53           HN       ILE  53  -8.775  -4.611   2.473
  407    HA   ILE  53           HA       ILE  53  -7.856  -3.736   5.192
  408    HB   ILE  53           HB       ILE  53  -6.611  -5.822   3.381
  409   1HG1  ILE  53          HG12      ILE  53  -8.913  -6.502   3.726
  410   2HG1  ILE  53          HG11      ILE  53  -7.894  -7.476   4.781
  411   1HG2  ILE  53          HG23      ILE  53  -5.456  -4.763   5.500
  412   2HG2  ILE  53          HG22      ILE  53  -6.560  -5.796   6.397
  413   3HG2  ILE  53          HG21      ILE  53  -5.410  -6.508   5.270
  414   1HD1  ILE  53          HD13      ILE  53  -8.389  -5.719   6.599
  415   2HD1  ILE  53          HD12      ILE  53  -9.670  -5.148   5.530
  416   3HD1  ILE  53          HD11      ILE  53  -9.710  -6.797   6.149
  417    H    PHE  54           HN       PHE  54  -6.361  -2.104   5.290
  418    HA   PHE  54           HA       PHE  54  -4.764  -1.454   2.833
  419   1HB   PHE  54           HB2      PHE  54  -5.360   0.142   5.344
  420   2HB   PHE  54           HB1      PHE  54  -4.289   0.693   4.057
  421    HD1  PHE  54           HD1      PHE  54  -7.778  -0.516   4.678
  422    HD2  PHE  54           HD2      PHE  54  -5.178   1.816   2.183
  423    HE1  PHE  54           HE1      PHE  54  -9.740   0.340   3.424
  424    HE2  PHE  54           HE2      PHE  54  -7.138   2.665   0.926
  425    HZ   PHE  54           HZ       PHE  54  -9.418   1.922   1.547
  426    H    LEU  55           HN       LEU  55  -2.607  -1.970   2.817
  427    HA   LEU  55           HA       LEU  55  -1.253  -2.588   5.426
  428   1HB   LEU  55           HB2      LEU  55  -0.654  -3.625   2.638
  429   2HB   LEU  55           HB1      LEU  55   0.433  -3.850   4.008
  430    HG   LEU  55           HG       LEU  55  -1.261  -5.140   5.192
  431   1HD1  LEU  55          HD11      LEU  55  -3.045  -4.206   2.963
  432   2HD1  LEU  55          HD13      LEU  55  -3.372  -5.759   3.737
  433   3HD1  LEU  55          HD12      LEU  55  -3.352  -4.294   4.699
  434   1HD2  LEU  55          HD21      LEU  55  -0.833  -5.946   2.308
  435   2HD2  LEU  55          HD23      LEU  55   0.091  -6.451   3.721
  436   3HD2  LEU  55          HD22      LEU  55  -1.562  -7.017   3.503
  437    H    GLU  56           HN       GLU  56   0.626  -1.559   5.924
  438    HA   GLU  56           HA       GLU  56   1.582   0.556   4.021
  439   1HB   GLU  56           HB2      GLU  56   0.678   1.315   6.276
  440   2HB   GLU  56           HB1      GLU  56   2.026   0.456   7.023
  441   1HG   GLU  56           HG2      GLU  56   3.572   1.809   5.514
  442   2HG   GLU  56           HG1      GLU  56   2.166   2.789   5.092
  443    H    VAL  57           HN       VAL  57   3.628   0.270   3.254
  444    HA   VAL  57           HA       VAL  57   5.381  -1.762   4.606
  445    HB   VAL  57           HB       VAL  57   5.029  -1.302   1.632
  446   1HG1  VAL  57          HG12      VAL  57   6.631  -3.302   3.237
  447   2HG1  VAL  57          HG11      VAL  57   6.374  -3.402   1.498
  448   3HG1  VAL  57          HG13      VAL  57   7.280  -2.048   2.177
  449   1HG2  VAL  57          HG21      VAL  57   4.093  -3.517   3.476
  450   2HG2  VAL  57          HG23      VAL  57   3.068  -2.375   2.607
  451   3HG2  VAL  57          HG22      VAL  57   4.005  -3.575   1.715
  452    H    ASP  58           HN       ASP  58   7.482  -1.144   4.908
  453    HA   ASP  58           HA       ASP  58   8.314   1.578   4.008
  454   1HB   ASP  58           HB2      ASP  58   8.465   0.842   6.441
  455   2HB   ASP  58           HB1      ASP  58   9.718  -0.290   5.916
  456    H    VAL  59           HN       VAL  59   9.598   1.646   2.175
  457    HA   VAL  59           HA       VAL  59  10.717  -0.778   1.053
  458    HB   VAL  59           HB       VAL  59  11.934   0.758  -0.484
  459   1HG1  VAL  59          HG12      VAL  59   9.031   1.403   0.086
  460   2HG1  VAL  59          HG11      VAL  59   9.883   1.937  -1.362
  461   3HG1  VAL  59          HG13      VAL  59   9.655   0.215  -1.059
  462   1HG2  VAL  59          HG23      VAL  59  10.760   2.925   1.285
  463   2HG2  VAL  59          HG22      VAL  59  12.471   2.536   1.119
  464   3HG2  VAL  59          HG21      VAL  59  11.582   3.198  -0.253
  465    H    ASP  60           HN       ASP  60  11.726   1.397   3.532
  466    HA   ASP  60           HA       ASP  60  14.575   0.580   3.306
  467   1HB   ASP  60           HB2      ASP  60  13.041   2.589   4.937
  468   2HB   ASP  60           HB1      ASP  60  14.672   2.137   5.394
  469    H    ASP  61           HN       ASP  61  11.904   0.241   5.712
  470    HA   ASP  61           HA       ASP  61  13.640  -1.624   7.269
  471   1HB   ASP  61           HB2      ASP  61  10.819  -0.648   7.848
  472   2HB   ASP  61           HB1      ASP  61  11.815  -1.624   8.918
  473    H    ALA  62           HN       ALA  62  11.313  -1.631   4.826
  474    HA   ALA  62           HA       ALA  62  10.860  -4.570   5.161
  475   1HB   ALA  62           HB3      ALA  62   8.878  -2.731   5.406
  476   2HB   ALA  62           HB2      ALA  62   8.845  -2.959   3.659
  477   3HB   ALA  62           HB1      ALA  62   8.602  -4.336   4.731
  478    H    GLN  63           HN       GLN  63  13.005  -3.324   3.826
  479    HA   GLN  63           HA       GLN  63  12.626  -2.886   1.055
  480   1HB   GLN  63           HB2      GLN  63  15.034  -3.230   0.864
  481   2HB   GLN  63           HB1      GLN  63  14.695  -2.338   2.347
  482   1HG   GLN  63           HG2      GLN  63  14.711  -4.550   3.570
  483   2HG   GLN  63           HG1      GLN  63  15.320  -5.287   2.087
  484   1HE2  GLN  63          HE22      GLN  63  18.243  -4.230   4.212
  485   2HE2  GLN  63          HE21      GLN  63  16.911  -5.252   4.475
  486    H    ASP  64           HN       ASP  64  12.696  -5.854   2.887
  487    HA   ASP  64           HA       ASP  64  13.350  -7.607   0.714
  488   1HB   ASP  64           HB2      ASP  64  12.192  -9.345   2.154
  489   2HB   ASP  64           HB1      ASP  64  13.486  -8.462   2.953
  490    H    VAL  65           HN       VAL  65  10.311  -6.249   1.928
  491    HA   VAL  65           HA       VAL  65   8.602  -7.765   0.178
  492    HB   VAL  65           HB       VAL  65   8.047  -5.009   1.309
  493   1HG1  VAL  65          HG11      VAL  65   6.470  -5.994  -0.377
  494   2HG1  VAL  65          HG13      VAL  65   6.200  -7.338   0.733
  495   3HG1  VAL  65          HG12      VAL  65   5.731  -5.703   1.198
  496   1HG2  VAL  65          HG21      VAL  65   8.116  -7.695   2.656
  497   2HG2  VAL  65          HG23      VAL  65   8.656  -6.136   3.261
  498   3HG2  VAL  65          HG22      VAL  65   6.935  -6.501   3.179
  499    H    ALA  66           HN       ALA  66  10.032  -4.514   0.006
  500    HA   ALA  66           HA       ALA  66   8.831  -3.898  -2.548
  501   1HB   ALA  66           HB2      ALA  66   9.723  -2.303  -0.700
  502   2HB   ALA  66           HB1      ALA  66  11.285  -2.523  -1.490
  503   3HB   ALA  66           HB3      ALA  66   9.925  -1.847  -2.389
  504    H    SER  67           HN       SER  67  11.998  -5.201  -1.584
  505    HA   SER  67           HA       SER  67  13.288  -4.916  -4.108
  506   1HB   SER  67           HB2      SER  67  14.814  -6.660  -3.332
  507   2HB   SER  67           HB1      SER  67  14.426  -5.596  -1.981
  508    HG   SER  67           HG       SER  67  12.765  -7.789  -2.426
  509    H    GLU  68           HN       GLU  68  11.116  -7.421  -2.865
  510    HA   GLU  68           HA       GLU  68  11.394  -9.260  -5.039
  511   1HB   GLU  68           HB2      GLU  68  10.264  -9.708  -2.818
  512   2HB   GLU  68           HB1      GLU  68   8.895  -8.763  -3.395
  513   1HG   GLU  68           HG2      GLU  68   9.991 -11.122  -4.941
  514   2HG   GLU  68           HG1      GLU  68   8.740 -11.303  -3.712
  515    H    ALA  69           HN       ALA  69   9.314  -6.443  -4.537
  516    HA   ALA  69           HA       ALA  69   7.912  -6.873  -7.078
  517   1HB   ALA  69           HB2      ALA  69   7.799  -4.732  -4.952
  518   2HB   ALA  69           HB1      ALA  69   6.911  -4.591  -6.469
  519   3HB   ALA  69           HB3      ALA  69   6.565  -5.923  -5.367
  520    H    GLU  70           HN       GLU  70  10.904  -5.629  -6.281
  521    HA   GLU  70           HA       GLU  70  12.400  -4.228  -7.423
  522   1HB   GLU  70           HB2      GLU  70  10.542  -4.980  -9.704
  523   2HB   GLU  70           HB1      GLU  70  12.050  -4.098  -9.915
  524   1HG   GLU  70           HG2      GLU  70  12.558  -6.396 -10.310
  525   2HG   GLU  70           HG1      GLU  70  13.206  -6.011  -8.715
  526    H    VAL  71           HN       VAL  71  10.590  -2.770  -5.941
  527    HA   VAL  71           HA       VAL  71   9.030  -0.923  -7.481
  528    HB   VAL  71           HB       VAL  71  10.336  -0.415  -4.787
  529   1HG1  VAL  71          HG13      VAL  71   7.970   0.801  -6.249
  530   2HG1  VAL  71          HG12      VAL  71   8.331   1.106  -4.551
  531   3HG1  VAL  71          HG11      VAL  71   9.473   1.609  -5.801
  532   1HG2  VAL  71          HG23      VAL  71   7.750  -1.802  -5.566
  533   2HG2  VAL  71          HG22      VAL  71   9.045  -2.425  -4.545
  534   3HG2  VAL  71          HG21      VAL  71   8.006  -1.126  -3.956
  535    H    LYS  72           HN       LYS  72   9.654   0.855  -8.611
  536    HA   LYS  72           HA       LYS  72  12.545   1.542  -8.618
  537   1HB   LYS  72           HB2      LYS  72  10.355   2.159 -10.610
  538   2HB   LYS  72           HB1      LYS  72  12.051   2.609 -10.793
  539   1HG   LYS  72           HG2      LYS  72  12.545   0.076 -10.473
  540   2HG   LYS  72           HG1      LYS  72  10.830  -0.156 -10.810
  541   1HD   LYS  72           HD2      LYS  72  11.078   1.030 -12.954
  542   2HD   LYS  72           HD1      LYS  72  12.790   1.288 -12.620
  543   1HE   LYS  72           HE2      LYS  72  12.523  -0.653 -14.088
  544   2HE   LYS  72           HE1      LYS  72  13.115  -1.177 -12.512
  545   1HZ   LYS  72           HZ2      LYS  72  10.265  -1.070 -12.603
  546   2HZ   LYS  72           HZ1      LYS  72  10.886  -2.108 -13.796
  547   3HZ   LYS  72           HZ3      LYS  72  11.282  -2.359 -12.167
  548    H    ALA  73           HN       ALA  73   9.551   2.776  -7.479
  549    HA   ALA  73           HA       ALA  73  10.864   5.262  -6.678
  550   1HB   ALA  73           HB1      ALA  73   9.196   5.156  -9.080
  551   2HB   ALA  73           HB3      ALA  73   8.591   6.339  -7.918
  552   3HB   ALA  73           HB2      ALA  73  10.247   6.457  -8.516
  553    H    THR  74           HN       THR  74   9.573   6.511  -5.169
  554    HA   THR  74           HA       THR  74   7.143   5.099  -4.129
  555    HB   THR  74           HB       THR  74   7.871   5.522  -1.850
  556    HG1  THR  74           HG1      THR  74  10.299   6.509  -2.254
  557   1HG2  THR  74          HG21      THR  74  10.190   4.521  -3.503
  558   2HG2  THR  74          HG23      THR  74  10.043   4.338  -1.756
  559   3HG2  THR  74          HG22      THR  74   8.890   3.541  -2.828
  560    HA   PRO  75           HA       PRO  75   5.727   5.706  -2.372
  561   1HB   PRO  75           HB2      PRO  75   3.130   6.640  -2.433
  562   2HB   PRO  75           HB1      PRO  75   4.331   7.126  -1.231
  563   1HG   PRO  75           HG2      PRO  75   3.279   8.657  -3.553
  564   2HG   PRO  75           HG1      PRO  75   3.945   9.248  -2.023
  565   1HD   PRO  75           HD2      PRO  75   5.298   9.189  -4.519
  566   2HD   PRO  75           HD1      PRO  75   6.053   9.466  -2.926
  567    H    THR  76           HN       THR  76   4.867   3.826  -3.149
  568    HA   THR  76           HA       THR  76   3.449   3.881  -5.791
  569    HB   THR  76           HB       THR  76   5.397   1.767  -4.825
  570    HG1  THR  76           HG1      THR  76   5.532   3.798  -6.778
  571   1HG2  THR  76          HG21      THR  76   3.653   2.017  -7.274
  572   2HG2  THR  76          HG23      THR  76   5.060   0.955  -7.226
  573   3HG2  THR  76          HG22      THR  76   3.713   0.685  -6.120
  574    H    PHE  77           HN       PHE  77   1.531   2.863  -5.745
  575    HA   PHE  77           HA       PHE  77   0.797   1.349  -3.261
  576   1HB   PHE  77           HB2      PHE  77  -0.993   2.767  -5.265
  577   2HB   PHE  77           HB1      PHE  77  -1.517   1.974  -3.777
  578    HD1  PHE  77           HD1      PHE  77  -0.951   2.942  -1.558
  579    HD2  PHE  77           HD2      PHE  77   0.132   4.895  -5.230
  580    HE1  PHE  77           HE1      PHE  77  -0.499   5.042  -0.310
  581    HE2  PHE  77           HE2      PHE  77   0.586   6.994  -3.982
  582    HZ   PHE  77           HZ       PHE  77   0.270   7.072  -1.522
  583    H    GLN  78           HN       GLN  78   0.254  -0.789  -3.523
  584    HA   GLN  78           HA       GLN  78  -0.236  -1.769  -6.320
  585   1HB   GLN  78           HB2      GLN  78   1.295  -3.092  -4.079
  586   2HB   GLN  78           HB1      GLN  78   0.781  -3.934  -5.542
  587   1HG   GLN  78           HG2      GLN  78   2.007  -2.233  -6.898
  588   2HG   GLN  78           HG1      GLN  78   2.598  -1.509  -5.405
  589   1HE2  GLN  78          HE22      GLN  78   5.291  -3.795  -6.351
  590   2HE2  GLN  78          HE21      GLN  78   4.677  -2.284  -6.819
  591    H    PHE  79           HN       PHE  79  -1.888  -3.177  -6.576
  592    HA   PHE  79           HA       PHE  79  -3.687  -3.527  -4.204
  593   1HB   PHE  79           HB2      PHE  79  -4.245  -3.435  -7.180
  594   2HB   PHE  79           HB1      PHE  79  -5.464  -3.779  -5.946
  595    HD1  PHE  79           HD2      PHE  79  -3.065  -1.248  -7.200
  596    HD2  PHE  79           HD1      PHE  79  -6.308  -2.050  -4.507
  597    HE1  PHE  79           HE2      PHE  79  -3.253   1.171  -6.703
  598    HE2  PHE  79           HE1      PHE  79  -6.488   0.363  -4.008
  599    HZ   PHE  79           HZ       PHE  79  -4.975   1.975  -5.106
  600    H    PHE  80           HN       PHE  80  -4.168  -5.497  -3.519
  601    HA   PHE  80           HA       PHE  80  -3.527  -7.841  -5.244
  602   1HB   PHE  80           HB2      PHE  80  -2.981  -7.483  -2.295
  603   2HB   PHE  80           HB1      PHE  80  -2.942  -9.044  -3.107
  604    HD1  PHE  80           HD2      PHE  80  -1.291  -5.734  -2.824
  605    HD2  PHE  80           HD1      PHE  80  -1.193  -9.628  -4.653
  606    HE1  PHE  80           HE2      PHE  80   1.046  -5.346  -3.551
  607    HE2  PHE  80           HE1      PHE  80   1.148  -9.229  -5.377
  608    HZ   PHE  80           HZ       PHE  80   2.265  -7.087  -4.824
  609    H    LYS  81           HN       LYS  81  -4.967  -9.583  -5.071
  610    HA   LYS  81           HA       LYS  81  -7.225  -9.371  -3.174
  611   1HB   LYS  81           HB2      LYS  81  -7.725  -8.109  -5.397
  612   2HB   LYS  81           HB1      LYS  81  -7.799  -9.712  -6.125
  613   1HG   LYS  81           HG2      LYS  81  -9.511 -10.355  -4.426
  614   2HG   LYS  81           HG1      LYS  81  -9.482  -8.703  -3.815
  615   1HD   LYS  81           HD2      LYS  81 -10.033  -7.948  -6.185
  616   2HD   LYS  81           HD1      LYS  81 -10.351  -9.645  -6.555
  617   1HE   LYS  81           HE2      LYS  81 -12.053  -9.734  -4.791
  618   2HE   LYS  81           HE1      LYS  81 -11.707  -8.062  -4.352
  619   1HZ   LYS  81           HZ3      LYS  81 -12.193  -8.146  -7.099
  620   2HZ   LYS  81           HZ2      LYS  81 -13.437  -9.020  -6.340
  621   3HZ   LYS  81           HZ1      LYS  81 -13.130  -7.409  -5.893
  622    H    LYS  82           HN       LYS  82  -7.568 -11.400  -2.423
  623    HA   LYS  82           HA       LYS  82  -7.473 -13.730  -2.231
  624   1HB   LYS  82           HB2      LYS  82  -7.642 -13.586  -5.269
  625   2HB   LYS  82           HB1      LYS  82  -7.799 -15.058  -4.318
  626   1HG   LYS  82           HG2      LYS  82  -9.674 -13.848  -3.053
  627   2HG   LYS  82           HG1      LYS  82  -9.635 -12.664  -4.356
  628   1HD   LYS  82           HD2      LYS  82  -9.866 -14.656  -5.958
  629   2HD   LYS  82           HD1      LYS  82 -10.289 -15.607  -4.532
  630   1HE   LYS  82           HE2      LYS  82 -12.334 -14.779  -5.562
  631   2HE   LYS  82           HE1      LYS  82 -12.092 -13.954  -4.022
  632   1HZ   LYS  82           HZ2      LYS  82 -10.730 -12.478  -5.919
  633   2HZ   LYS  82           HZ1      LYS  82 -12.232 -12.851  -6.622
  634   3HZ   LYS  82           HZ3      LYS  82 -12.170 -12.054  -5.126
  635    H    GLY  83           HN       GLY  83  -4.991 -12.097  -2.508
  636   1HA   GLY  83           HA2      GLY  83  -2.719 -12.690  -2.341
  637   2HA   GLY  83           HA1      GLY  83  -3.151 -14.336  -2.777
  638    H    GLN  84           HN       GLN  84  -4.264 -11.817  -4.907
  639    HA   GLN  84           HA       GLN  84  -1.985 -12.370  -6.768
  640   1HB   GLN  84           HB2      GLN  84  -4.936 -12.305  -7.441
  641   2HB   GLN  84           HB1      GLN  84  -3.638 -12.383  -8.632
  642   1HG   GLN  84           HG2      GLN  84  -2.831 -14.488  -7.578
  643   2HG   GLN  84           HG1      GLN  84  -4.202 -14.430  -6.469
  644   1HE2  GLN  84          HE22      GLN  84  -6.477 -14.724  -9.453
  645   2HE2  GLN  84          HE21      GLN  84  -6.193 -13.493  -8.318
  646    H    LYS  85           HN       LYS  85  -1.341 -10.606  -8.054
  647    HA   LYS  85           HA       LYS  85  -2.149  -7.958  -7.074
  648   1HB   LYS  85           HB2      LYS  85   0.196  -8.506  -7.712
  649   2HB   LYS  85           HB1      LYS  85  -0.336  -8.702  -9.381
  650   1HG   LYS  85           HG2      LYS  85  -1.125  -6.358  -9.405
  651   2HG   LYS  85           HG1      LYS  85  -0.601  -6.167  -7.736
  652   1HD   LYS  85           HD2      LYS  85   1.207  -5.282  -8.947
  653   2HD   LYS  85           HD1      LYS  85   1.733  -6.931  -8.617
  654   1HE   LYS  85           HE2      LYS  85   1.086  -7.645 -10.848
  655   2HE   LYS  85           HE1      LYS  85   0.355  -6.075 -11.182
  656   1HZ   LYS  85           HZ1      LYS  85   2.563  -5.078 -10.851
  657   2HZ   LYS  85           HZ3      LYS  85   3.223  -6.630 -10.680
  658   3HZ   LYS  85           HZ2      LYS  85   2.520  -6.167 -12.155
  659    H    VAL  86           HN       VAL  86  -3.748  -6.747  -7.940
  660    HA   VAL  86           HA       VAL  86  -4.702  -7.385 -10.713
  661    HB   VAL  86           HB       VAL  86  -6.942  -6.577  -9.895
  662   1HG1  VAL  86          HG13      VAL  86  -6.227  -9.016 -10.005
  663   2HG1  VAL  86          HG12      VAL  86  -5.879  -8.908  -8.278
  664   3HG1  VAL  86          HG11      VAL  86  -7.525  -8.664  -8.864
  665   1HG2  VAL  86          HG21      VAL  86  -6.031  -5.298  -7.955
  666   2HG2  VAL  86          HG23      VAL  86  -7.292  -6.433  -7.474
  667   3HG2  VAL  86          HG22      VAL  86  -5.598  -6.824  -7.185
  668    H    GLY  87           HN       GLY  87  -2.964  -5.121  -9.089
  669   1HA   GLY  87           HA2      GLY  87  -3.397  -3.117 -11.090
  670   2HA   GLY  87           HA1      GLY  87  -4.292  -2.671  -9.642
  671    H    GLU  88           HN       GLU  88  -2.113  -1.197 -10.758
  672    HA   GLU  88           HA       GLU  88  -0.510  -0.827  -8.380
  673   1HB   GLU  88           HB2      GLU  88   0.988  -2.489  -8.974
  674   2HB   GLU  88           HB1      GLU  88   0.536  -2.424 -10.667
  675   1HG   GLU  88           HG2      GLU  88   2.868  -1.710 -10.340
  676   2HG   GLU  88           HG1      GLU  88   1.907  -0.376 -10.955
  677    H    PHE  89           HN       PHE  89   0.543   1.197  -8.430
  678    HA   PHE  89           HA       PHE  89   0.927   2.678 -10.854
  679   1HB   PHE  89           HB2      PHE  89  -0.821   4.251 -10.857
  680   2HB   PHE  89           HB1      PHE  89  -1.636   2.726 -10.548
  681    HD1  PHE  89           HD1      PHE  89  -0.186   5.710  -8.844
  682    HD2  PHE  89           HD2      PHE  89  -2.988   2.471  -8.616
  683    HE1  PHE  89           HE1      PHE  89  -1.151   6.699  -6.787
  684    HE2  PHE  89           HE2      PHE  89  -3.955   3.458  -6.555
  685    HZ   PHE  89           HZ       PHE  89  -3.042   5.579  -5.648
  686    H    SER  90           HN       SER  90   1.862   4.780 -10.450
  687    HA   SER  90           HA       SER  90   2.814   5.173  -7.629
  688   1HB   SER  90           HB2      SER  90   4.955   5.928  -8.579
  689   2HB   SER  90           HB1      SER  90   4.617   4.261  -9.047
  690    HG   SER  90           HG       SER  90   5.170   6.216 -10.638
  691    H    GLY  91           HN       GLY  91   3.512   7.403  -7.192
  692   1HA   GLY  91           HA2      GLY  91   3.555   9.755  -8.095
  693   2HA   GLY  91           HA1      GLY  91   1.990   9.413  -8.833
  694    H    ALA  92           HN       ALA  92   2.934  11.333  -6.626
  695    HA   ALA  92           HA       ALA  92   1.591  10.409  -4.225
  696   1HB   ALA  92           HB1      ALA  92   2.799  12.994  -5.173
  697   2HB   ALA  92           HB3      ALA  92   1.839  12.972  -3.694
  698   3HB   ALA  92           HB2      ALA  92   3.289  11.972  -3.823
  699    H    ASN  93           HN       ASN  93  -0.432   9.901  -5.779
  700    HA   ASN  93           HA       ASN  93  -2.267  12.277  -5.648
  701   1HB   ASN  93           HB2      ASN  93  -1.820  11.481  -7.985
  702   2HB   ASN  93           HB1      ASN  93  -2.518   9.922  -7.532
  703   1HD2  ASN  93          HD22      ASN  93  -4.973  13.054  -8.285
  704   2HD2  ASN  93          HD21      ASN  93  -3.291  13.190  -8.443
  705    H    LYS  94           HN       LYS  94  -3.183  11.885  -3.665
  706    HA   LYS  94           HA       LYS  94  -3.838   9.263  -2.671
  707   1HB   LYS  94           HB2      LYS  94  -5.130  10.561  -0.974
  708   2HB   LYS  94           HB1      LYS  94  -3.455  11.064  -1.132
  709   1HG   LYS  94           HG2      LYS  94  -5.263  12.531  -2.959
  710   2HG   LYS  94           HG1      LYS  94  -5.696  12.758  -1.273
  711   1HD   LYS  94           HD2      LYS  94  -3.250  13.325  -0.847
  712   2HD   LYS  94           HD1      LYS  94  -3.041  13.345  -2.604
  713   1HE   LYS  94           HE2      LYS  94  -4.799  15.061  -2.784
  714   2HE   LYS  94           HE1      LYS  94  -5.010  15.029  -1.031
  715   1HZ   LYS  94           HZ3      LYS  94  -2.335  15.495  -2.156
  716   2HZ   LYS  94           HZ2      LYS  94  -3.448  16.778  -2.114
  717   3HZ   LYS  94           HZ1      LYS  94  -2.981  16.006  -0.675
  718    H    GLU  95           HN       GLU  95  -5.670  11.616  -4.566
  719    HA   GLU  95           HA       GLU  95  -8.264  10.485  -4.101
  720   1HB   GLU  95           HB2      GLU  95  -7.172  12.053  -6.456
  721   2HB   GLU  95           HB1      GLU  95  -8.880  11.711  -6.184
  722   1HG   GLU  95           HG2      GLU  95  -7.118  13.151  -4.189
  723   2HG   GLU  95           HG1      GLU  95  -8.154  13.975  -5.353
  724    H    LYS  96           HN       LYS  96  -5.647   9.685  -6.251
  725    HA   LYS  96           HA       LYS  96  -7.016   8.057  -8.136
  726   1HB   LYS  96           HB2      LYS  96  -4.637   8.916  -8.217
  727   2HB   LYS  96           HB1      LYS  96  -4.205   7.646  -7.096
  728   1HG   LYS  96           HG2      LYS  96  -4.748   5.934  -8.647
  729   2HG   LYS  96           HG1      LYS  96  -5.603   7.058  -9.706
  730   1HD   LYS  96           HD2      LYS  96  -3.489   8.232 -10.186
  731   2HD   LYS  96           HD1      LYS  96  -2.624   7.125  -9.125
  732   1HE   LYS  96           HE2      LYS  96  -2.342   6.344 -11.404
  733   2HE   LYS  96           HE1      LYS  96  -3.422   5.222 -10.575
  734   1HZ   LYS  96           HZ3      LYS  96  -4.376   7.506 -12.203
  735   2HZ   LYS  96           HZ2      LYS  96  -4.175   5.935 -12.821
  736   3HZ   LYS  96           HZ1      LYS  96  -5.298   6.227 -11.580
  737    H    LEU  97           HN       LEU  97  -5.762   7.429  -4.915
  738    HA   LEU  97           HA       LEU  97  -5.944   4.592  -4.900
  739   1HB   LEU  97           HB2      LEU  97  -6.259   6.698  -2.755
  740   2HB   LEU  97           HB1      LEU  97  -6.444   4.993  -2.377
  741    HG   LEU  97           HG       LEU  97  -3.993   6.206  -3.670
  742   1HD1  LEU  97          HD12      LEU  97  -4.633   5.507  -0.796
  743   2HD1  LEU  97          HD11      LEU  97  -2.986   5.749  -1.377
  744   3HD1  LEU  97          HD13      LEU  97  -4.147   7.077  -1.438
  745   1HD2  LEU  97          HD21      LEU  97  -4.805   3.424  -2.846
  746   2HD2  LEU  97          HD23      LEU  97  -3.852   3.939  -4.234
  747   3HD2  LEU  97          HD22      LEU  97  -3.122   3.888  -2.641
  748    H    GLU  98           HN       GLU  98  -8.333   7.121  -4.286
  749    HA   GLU  98           HA       GLU  98 -10.418   5.373  -3.394
  750   1HB   GLU  98           HB2      GLU  98 -10.510   7.824  -3.116
  751   2HB   GLU  98           HB1      GLU  98 -10.689   8.013  -4.858
  752   1HG   GLU  98           HG2      GLU  98 -12.797   6.664  -4.759
  753   2HG   GLU  98           HG1      GLU  98 -12.622   6.580  -3.005
  754    H    ALA  99           HN       ALA  99  -9.650   6.565  -6.667
  755    HA   ALA  99           HA       ALA  99 -11.916   5.273  -7.881
  756   1HB   ALA  99           HB3      ALA  99 -10.498   7.150  -8.867
  757   2HB   ALA  99           HB2      ALA  99  -9.308   5.912  -9.276
  758   3HB   ALA  99           HB1      ALA  99 -10.926   5.847  -9.975
  759    H    THR 100           HN       THR 100  -8.514   4.209  -7.531
  760    HA   THR 100           HA       THR 100  -8.909   1.803  -9.040
  761    HB   THR 100           HB       THR 100  -6.946   2.156  -6.751
  762    HG1  THR 100           HG1      THR 100  -6.094   3.657  -7.937
  763   1HG2  THR 100          HG21      THR 100  -6.993   0.504  -9.293
  764   2HG2  THR 100          HG23      THR 100  -5.567   0.691  -8.276
  765   3HG2  THR 100          HG22      THR 100  -7.011  -0.097  -7.638
  766    H    ILE 101           HN       ILE 101  -9.272   2.597  -5.614
  767    HA   ILE 101           HA       ILE 101  -9.916  -0.066  -4.690
  768    HB   ILE 101           HB       ILE 101 -10.648   2.695  -3.641
  769   1HG1  ILE 101          HG12      ILE 101  -8.719   0.663  -2.490
  770   2HG1  ILE 101          HG11      ILE 101  -8.212   1.858  -3.682
  771   1HG2  ILE 101          HG21      ILE 101 -11.113  -0.065  -2.471
  772   2HG2  ILE 101          HG23      ILE 101 -11.147   1.407  -1.500
  773   3HG2  ILE 101          HG22      ILE 101 -12.322   1.178  -2.793
  774   1HD1  ILE 101          HD11      ILE 101  -9.113   3.654  -2.168
  775   2HD1  ILE 101          HD13      ILE 101  -9.408   2.409  -0.955
  776   3HD1  ILE 101          HD12      ILE 101  -7.760   2.757  -1.479
  777    H    ASN 102           HN       ASN 102 -11.838   2.720  -5.692
  778    HA   ASN 102           HA       ASN 102 -14.421   1.564  -5.443
  779   1HB   ASN 102           HB2      ASN 102 -13.818   4.019  -5.853
  780   2HB   ASN 102           HB1      ASN 102 -13.515   3.582  -7.535
  781   1HD2  ASN 102          HD22      ASN 102 -17.343   2.626  -6.766
  782   2HD2  ASN 102          HD21      ASN 102 -16.048   1.753  -6.113
  783    H    GLU 103           HN       GLU 103 -11.985   1.509  -7.954
  784    HA   GLU 103           HA       GLU 103 -13.574   0.260  -9.996
  785   1HB   GLU 103           HB2      GLU 103 -11.399   1.544 -10.296
  786   2HB   GLU 103           HB1      GLU 103 -10.568   0.136  -9.653
  787   1HG   GLU 103           HG2      GLU 103 -12.448  -0.074 -12.010
  788   2HG   GLU 103           HG1      GLU 103 -10.738   0.298 -12.208
  789    H    LEU 104           HN       LEU 104 -11.393  -1.011  -7.473
  790    HA   LEU 104           HA       LEU 104 -11.976  -3.792  -8.357
  791   1HB   LEU 104           HB2      LEU 104 -10.046  -2.714  -6.293
  792   2HB   LEU 104           HB1      LEU 104 -10.209  -4.413  -6.716
  793    HG   LEU 104           HG       LEU 104  -9.508  -2.227  -8.696
  794   1HD1  LEU 104          HD13      LEU 104  -7.775  -4.053  -7.030
  795   2HD1  LEU 104          HD12      LEU 104  -7.200  -3.351  -8.544
  796   3HD1  LEU 104          HD11      LEU 104  -7.669  -2.302  -7.208
  797   1HD2  LEU 104          HD23      LEU 104  -9.724  -5.239  -8.827
  798   2HD2  LEU 104          HD22      LEU 104 -10.328  -4.036  -9.962
  799   3HD2  LEU 104          HD21      LEU 104  -8.605  -4.394  -9.895
  800    H    VAL 105           HN       VAL 105 -13.331  -1.590  -6.169
  801    HA   VAL 105           HA       VAL 105 -13.746  -3.310  -3.903
  802    HB   VAL 105           HB       VAL 105 -14.189  -0.795  -3.978
  803   1HG1  VAL 105          HG13      VAL 105 -15.695  -1.158  -6.105
  804   2HG1  VAL 105          HG12      VAL 105 -16.955  -1.510  -4.929
  805   3HG1  VAL 105          HG11      VAL 105 -16.153   0.061  -4.919
  806   1HG2  VAL 105          HG22      VAL 105 -16.364  -2.616  -2.903
  807   2HG2  VAL 105          HG21      VAL 105 -14.856  -2.220  -2.082
  808   3HG2  VAL 105          HG23      VAL 105 -16.060  -0.963  -2.368
  809    HA   PRO  59           HA       PRO 106  14.483  14.791 -14.079
  810   1HB   PRO  59           HB2      PRO 106  16.868  13.866 -12.986
  811   2HB   PRO  59           HB1      PRO 106  16.671  14.422 -14.659
  812   1HG   PRO  59           HG2      PRO 106  17.847  15.838 -12.326
  813   2HG   PRO  59           HG1      PRO 106  18.272  15.939 -14.041
  814   1HD   PRO  59           HD2      PRO 106  16.792  17.862 -12.709
  815   2HD   PRO  59           HD1      PRO 106  16.708  17.590 -14.463
  816    H    ALA  60           HN       ALA 107  14.899  16.396 -11.077
  817    HA   ALA  60           HA       ALA 107  14.101  13.952  -9.530
  818   1HB   ALA  60           HB2      ALA 107  16.097  15.214  -8.730
  819   2HB   ALA  60           HB1      ALA 107  15.080  16.642  -8.523
  820   3HB   ALA  60           HB3      ALA 107  14.790  15.201  -7.547
  821    H    THR  61           HN       THR 108  11.963  13.791  -9.041
  822    HA   THR  61           HA       THR 108  10.259  16.260  -9.138
  823    HB   THR  61           HB       THR 108   9.443  13.340  -9.283
  824    HG1  THR  61           HG1      THR 108   9.014  14.659 -11.527
  825   1HG2  THR  61          HG23      THR 108   7.927  15.905  -9.843
  826   2HG2  THR  61          HG22      THR 108   7.303  14.275 -10.092
  827   3HG2  THR  61          HG21      THR 108   7.674  14.836  -8.465
  828    H    LEU  62           HN       LEU 109   9.320  16.961  -7.268
  829    HA   LEU  62           HA       LEU 109   9.974  15.738  -4.746
  830   1HB   LEU  62           HB2      LEU 109   8.006  17.904  -5.515
  831   2HB   LEU  62           HB1      LEU 109   8.262  17.402  -3.846
  832    HG   LEU  62           HG       LEU 109  10.474  18.365  -5.687
  833   1HD1  LEU  62          HD12      LEU 109   8.853  19.844  -3.595
  834   2HD1  LEU  62          HD11      LEU 109  10.351  20.457  -4.295
  835   3HD1  LEU  62          HD13      LEU 109   8.939  20.199  -5.320
  836   1HD2  LEU  62          HD22      LEU 109  10.338  17.446  -2.827
  837   2HD2  LEU  62          HD21      LEU 109  11.618  17.228  -4.019
  838   3HD2  LEU  62          HD23      LEU 109  11.429  18.777  -3.204
  839    H    LYS  63           HN       LYS 110   7.207  15.481  -6.901
  840    HA   LYS  63           HA       LYS 110   5.354  14.292  -5.057
  841   1HB   LYS  63           HB2      LYS 110   5.579  13.869  -8.058
  842   2HB   LYS  63           HB1      LYS 110   4.176  13.484  -7.069
  843   1HG   LYS  63           HG2      LYS 110   5.324  16.252  -7.549
  844   2HG   LYS  63           HG1      LYS 110   3.814  15.620  -8.198
  845   1HD   LYS  63           HD2      LYS 110   3.171  15.244  -5.694
  846   2HD   LYS  63           HD1      LYS 110   4.475  16.383  -5.357
  847   1HE   LYS  63           HE2      LYS 110   2.116  16.925  -7.181
  848   2HE   LYS  63           HE1      LYS 110   2.303  17.541  -5.540
  849   1HZ   LYS  63           HZ1      LYS 110   4.232  18.051  -7.737
  850   2HZ   LYS  63           HZ3      LYS 110   2.995  19.122  -7.292
  851   3HZ   LYS  63           HZ2      LYS 110   4.233  18.752  -6.190
  852    H    ILE  64           HN       ILE 111   8.201  13.088  -6.535
  853    HA   ILE  64           HA       ILE 111   7.566  10.287  -5.623
  854    HB   ILE  64           HB       ILE 111   9.048  11.189  -8.119
  855   1HG1  ILE  64          HG12      ILE 111   6.608  11.207  -8.362
  856   2HG1  ILE  64          HG11      ILE 111   7.302   9.890  -9.297
  857   1HG2  ILE  64          HG21      ILE 111   8.815   8.481  -6.804
  858   2HG2  ILE  64          HG23      ILE 111   9.165   8.655  -8.524
  859   3HG2  ILE  64          HG22      ILE 111  10.274   9.324  -7.327
  860   1HD1  ILE  64          HD11      ILE 111   6.830   8.546  -7.004
  861   2HD1  ILE  64          HD13      ILE 111   5.589   9.789  -6.856
  862   3HD1  ILE  64          HD12      ILE 111   5.610   8.721  -8.259
  863    H    CYS  65           HN       CYS 112   9.327   9.253  -4.508
  864    HA   CYS  65           HA       CYS 112  11.698  10.989  -3.963
  865   1HB   CYS  65           HB2      CYS 112  11.034   8.389  -2.557
  866   2HB   CYS  65           HB1      CYS 112  12.146   9.640  -2.029
  867    H    SER  66           HN       SER 113  13.682  10.409  -4.836
  868    HA   SER  66           HA       SER 113  13.731   8.194  -6.750
  869   1HB   SER  66           HB2      SER 113  15.926  10.085  -5.862
  870   2HB   SER  66           HB1      SER 113  16.023   8.978  -7.230
  871    HG   SER  66           HG       SER 113  13.760  10.490  -7.272
  872    H    TRP  67           HN       TRP 114  14.800   6.240  -6.554
  873    HA   TRP  67           HA       TRP 114  15.552   5.357  -3.874
  874   1HB   TRP  67           HB2      TRP 114  15.632   4.024  -6.592
  875   2HB   TRP  67           HB1      TRP 114  16.159   3.219  -5.110
  876    HD1  TRP  67           HD1      TRP 114  13.083   5.343  -6.093
  877    HE1  TRP  67           HE1      TRP 114  10.983   4.185  -5.153
  878    HE3  TRP  67           HE3      TRP 114  15.223   1.294  -3.870
  879    HZ2  TRP  67           HZ2      TRP 114  10.324   1.869  -3.643
  880    HZ3  TRP  67           HZ3      TRP 114  13.848  -0.372  -2.687
  881    HH2  TRP  67           HH2      TRP 114  11.394  -0.095  -2.579
  882    H    ASN  68           HN       ASN 115  17.167   6.771  -6.563
  883    HA   ASN  68           HA       ASN 115  19.785   5.722  -6.363
  884   1HB   ASN  68           HB2      ASN 115  18.834   8.555  -6.911
  885   2HB   ASN  68           HB1      ASN 115  20.509   8.031  -7.112
  886   1HD2  ASN  68          HD22      ASN 115  18.307   5.637  -9.488
  887   2HD2  ASN  68          HD21      ASN 115  18.285   5.510  -7.797
  888    H    VAL  69           HN       VAL 116  17.919   7.381  -4.095
  889    HA   VAL  69           HA       VAL 116  19.869   8.847  -2.630
  890    HB   VAL  69           HB       VAL 116  17.456   9.113  -2.302
  891   1HG1  VAL  69          HG12      VAL 116  16.972   6.650  -2.657
  892   2HG1  VAL  69          HG11      VAL 116  17.467   6.383  -0.989
  893   3HG1  VAL  69          HG13      VAL 116  16.070   7.399  -1.346
  894   1HG2  VAL  69          HG22      VAL 116  19.181   9.454  -0.393
  895   2HG2  VAL  69          HG21      VAL 116  17.473   9.388   0.033
  896   3HG2  VAL  69          HG23      VAL 116  18.499   7.977   0.290
  897    H    ASP  70           HN       ASP 117  21.378   8.180  -1.104
  898    HA   ASP  70           HA       ASP 117  22.202   5.434  -1.081
  899   1HB   ASP  70           HB2      ASP 117  22.914   7.752   0.737
  900   2HB   ASP  70           HB1      ASP 117  23.675   6.162   0.847
  901    H    GLY  71           HN       GLY 118  20.009   7.246   0.965
  902   1HA   GLY  71           HA2      GLY 118  18.598   6.499   2.695
  903   2HA   GLY  71           HA1      GLY 118  18.852   4.871   2.063
   
  No H/Q in entry =         903
  Start of MODEL   24
    1   1H    MET   1           HT1      MET   1  -8.760  -0.890   9.265
    2   2H    MET   1           HT3      MET   1  -9.658  -1.853  10.334
    3   3H    MET   1           HT2      MET   1  -9.401  -0.209  10.682
    4    HA   MET   1           HA       MET   1  -7.539  -0.665  11.754
    5   1HB   MET   1           HB2      MET   1  -8.778  -2.769  12.299
    6   2HB   MET   1           HB1      MET   1  -8.019  -3.542  10.907
    7   1HG   MET   1           HG2      MET   1  -5.776  -3.023  11.913
    8   2HG   MET   1           HG1      MET   1  -6.606  -2.413  13.341
    9   1HE   MET   1           HE2      MET   1  -7.286  -3.647  15.205
   10   2HE   MET   1           HE1      MET   1  -8.759  -4.065  14.332
   11   3HE   MET   1           HE3      MET   1  -7.878  -5.306  15.235
   12    H    VAL   2           HN       VAL   2  -5.397  -0.413  11.232
   13    HA   VAL   2           HA       VAL   2  -4.584  -1.035   8.426
   14    HB   VAL   2           HB       VAL   2  -3.321   0.715  10.562
   15   1HG1  VAL   2          HG12      VAL   2  -2.523   0.086   7.708
   16   2HG1  VAL   2          HG11      VAL   2  -1.942   1.514   8.569
   17   3HG1  VAL   2          HG13      VAL   2  -1.547  -0.100   9.166
   18   1HG2  VAL   2          HG23      VAL   2  -4.804   1.353   7.989
   19   2HG2  VAL   2          HG22      VAL   2  -5.422   1.597   9.622
   20   3HG2  VAL   2          HG21      VAL   2  -4.047   2.540   9.050
   21    H    LYS   3           HN       LYS   3  -2.570  -2.148   8.031
   22    HA   LYS   3           HA       LYS   3  -1.438  -3.672  10.357
   23   1HB   LYS   3           HB2      LYS   3  -2.944  -5.129   9.031
   24   2HB   LYS   3           HB1      LYS   3  -2.025  -4.746   7.577
   25   1HG   LYS   3           HG2      LYS   3  -0.062  -5.808   8.411
   26   2HG   LYS   3           HG1      LYS   3  -0.724  -5.965  10.029
   27   1HD   LYS   3           HD2      LYS   3  -2.128  -7.265   7.695
   28   2HD   LYS   3           HD1      LYS   3  -0.723  -8.045   8.412
   29   1HE   LYS   3           HE2      LYS   3  -3.251  -7.244   9.891
   30   2HE   LYS   3           HE1      LYS   3  -2.775  -8.885   9.454
   31   1HZ   LYS   3           HZ2      LYS   3  -0.603  -8.142  10.731
   32   2HZ   LYS   3           HZ1      LYS   3  -1.711  -7.130  11.529
   33   3HZ   LYS   3           HZ3      LYS   3  -1.940  -8.810  11.541
   34    H    GLN   4           HN       GLN   4   0.705  -3.314  10.507
   35    HA   GLN   4           HA       GLN   4   2.136  -2.124   8.193
   36   1HB   GLN   4           HB2      GLN   4   2.398  -1.094  10.442
   37   2HB   GLN   4           HB1      GLN   4   3.062  -2.611  11.045
   38   1HG   GLN   4           HG2      GLN   4   4.910  -2.458   9.397
   39   2HG   GLN   4           HG1      GLN   4   4.252  -0.926   8.819
   40   1HE2  GLN   4          HE22      GLN   4   6.393   0.617  11.178
   41   2HE2  GLN   4          HE21      GLN   4   6.034   0.390   9.534
   42    H    ILE   5           HN       ILE   5   3.347  -3.386   6.909
   43    HA   ILE   5           HA       ILE   5   3.994  -6.168   7.778
   44    HB   ILE   5           HB       ILE   5   4.326  -4.885   5.056
   45   1HG1  ILE   5          HG12      ILE   5   1.955  -4.741   5.779
   46   2HG1  ILE   5          HG11      ILE   5   2.167  -5.855   4.433
   47   1HG2  ILE   5          HG21      ILE   5   4.171  -7.754   5.991
   48   2HG2  ILE   5          HG23      ILE   5   4.225  -7.242   4.307
   49   3HG2  ILE   5          HG22      ILE   5   5.595  -6.923   5.364
   50   1HD1  ILE   5          HD11      ILE   5   2.205  -7.752   6.087
   51   2HD1  ILE   5          HD13      ILE   5   1.828  -6.593   7.355
   52   3HD1  ILE   5          HD12      ILE   5   0.685  -6.872   6.054
   53    H    GLU   6           HN       GLU   6   6.013  -6.289   8.727
   54    HA   GLU   6           HA       GLU   6   8.139  -4.398   7.835
   55   1HB   GLU   6           HB2      GLU   6   8.076  -6.319  10.178
   56   2HB   GLU   6           HB1      GLU   6   9.360  -5.163   9.832
   57   1HG   GLU   6           HG2      GLU   6   6.488  -4.310  10.221
   58   2HG   GLU   6           HG1      GLU   6   7.628  -4.427  11.560
   59    H    SER   7           HN       SER   7   7.057  -7.423   7.009
   60    HA   SER   7           HA       SER   7   9.668  -8.070   5.794
   61   1HB   SER   7           HB2      SER   7   9.718 -10.357   6.757
   62   2HB   SER   7           HB1      SER   7   9.892  -9.112   7.996
   63    HG   SER   7           HG       SER   7   7.324 -10.010   7.319
   64    H    LYS   8           HN       LYS   8   9.513  -9.687   4.147
   65    HA   LYS   8           HA       LYS   8   7.065  -9.704   2.657
   66   1HB   LYS   8           HB2      LYS   8   9.417 -10.174   1.766
   67   2HB   LYS   8           HB1      LYS   8   9.255 -11.775   2.488
   68   1HG   LYS   8           HG2      LYS   8   7.234 -12.194   1.160
   69   2HG   LYS   8           HG1      LYS   8   7.369 -10.587   0.448
   70   1HD   LYS   8           HD2      LYS   8   8.288 -12.293  -1.071
   71   2HD   LYS   8           HD1      LYS   8   9.545 -11.183  -0.532
   72   1HE   LYS   8           HE2      LYS   8  10.026 -13.750  -0.512
   73   2HE   LYS   8           HE1      LYS   8  10.530 -12.784   0.871
   74   1HZ   LYS   8           HZ3      LYS   8   7.851 -14.000   0.839
   75   2HZ   LYS   8           HZ2      LYS   8   9.200 -14.956   1.233
   76   3HZ   LYS   8           HZ1      LYS   8   8.824 -13.585   2.165
   77    H    THR   9           HN       THR   9   8.467 -11.855   5.052
   78    HA   THR   9           HA       THR   9   6.749 -14.072   4.692
   79    HB   THR   9           HB       THR   9   7.788 -13.022   7.338
   80    HG1  THR   9           HG1      THR   9   9.647 -14.005   6.854
   81   1HG2  THR   9          HG23      THR   9   6.801 -15.706   6.369
   82   2HG2  THR   9          HG22      THR   9   7.811 -15.542   7.805
   83   3HG2  THR   9          HG21      THR   9   6.228 -14.768   7.747
   84    H    ALA  10           HN       ALA  10   6.318 -11.130   6.634
   85    HA   ALA  10           HA       ALA  10   3.691 -11.878   7.575
   86   1HB   ALA  10           HB3      ALA  10   5.224  -9.281   7.463
   87   2HB   ALA  10           HB2      ALA  10   3.537  -9.311   7.979
   88   3HB   ALA  10           HB1      ALA  10   4.751 -10.219   8.881
   89    H    PHE  11           HN       PHE  11   4.935 -10.256   4.719
   90    HA   PHE  11           HA       PHE  11   2.536  -9.052   3.772
   91   1HB   PHE  11           HB2      PHE  11   4.893  -8.810   2.814
   92   2HB   PHE  11           HB1      PHE  11   4.662 -10.369   2.054
   93    HD1  PHE  11           HD1      PHE  11   2.829  -7.114   2.435
   94    HD2  PHE  11           HD2      PHE  11   3.865 -10.391  -0.149
   95    HE1  PHE  11           HE1      PHE  11   1.652  -6.009   0.556
   96    HE2  PHE  11           HE2      PHE  11   2.680  -9.282  -2.023
   97    HZ   PHE  11           HZ       PHE  11   1.574  -7.095  -1.663
   98    H    GLN  12           HN       GLN  12   3.859 -12.323   3.304
   99    HA   GLN  12           HA       GLN  12   1.733 -13.254   1.596
  100   1HB   GLN  12           HB2      GLN  12   3.481 -14.856   3.503
  101   2HB   GLN  12           HB1      GLN  12   2.571 -15.499   2.136
  102   1HG   GLN  12           HG2      GLN  12   4.786 -13.437   1.922
  103   2HG   GLN  12           HG1      GLN  12   4.971 -15.161   1.586
  104   1HE2  GLN  12          HE22      GLN  12   4.046 -13.169  -1.542
  105   2HE2  GLN  12          HE21      GLN  12   5.181 -12.852  -0.324
  106    H    GLU  13           HN       GLU  13   2.265 -13.291   5.090
  107    HA   GLU  13           HA       GLU  13  -0.053 -14.812   5.818
  108   1HB   GLU  13           HB2      GLU  13   1.576 -12.733   7.299
  109   2HB   GLU  13           HB1      GLU  13   0.294 -13.655   8.058
  110   1HG   GLU  13           HG2      GLU  13   2.702 -14.885   6.690
  111   2HG   GLU  13           HG1      GLU  13   2.555 -14.651   8.432
  112    H    ALA  14           HN       ALA  14   0.456 -11.316   5.421
  113    HA   ALA  14           HA       ALA  14  -2.160 -10.590   6.368
  114   1HB   ALA  14           HB1      ALA  14  -0.244  -8.996   6.201
  115   2HB   ALA  14           HB3      ALA  14  -0.374  -9.065   4.442
  116   3HB   ALA  14           HB2      ALA  14  -1.697  -8.398   5.400
  117    H    LEU  15           HN       LEU  15  -0.844 -11.287   3.135
  118    HA   LEU  15           HA       LEU  15  -3.198 -10.635   1.667
  119   1HB   LEU  15           HB2      LEU  15  -1.019 -12.676   1.160
  120   2HB   LEU  15           HB1      LEU  15  -2.271 -12.285  -0.019
  121    HG   LEU  15           HG       LEU  15  -0.495 -10.169   1.215
  122   1HD1  LEU  15          HD12      LEU  15   0.015 -11.996  -1.128
  123   2HD1  LEU  15          HD11      LEU  15   0.681 -10.369  -1.115
  124   3HD1  LEU  15          HD13      LEU  15   1.116 -11.506   0.158
  125   1HD2  LEU  15          HD21      LEU  15  -2.365 -10.300  -1.163
  126   2HD2  LEU  15          HD23      LEU  15  -2.346  -9.132   0.157
  127   3HD2  LEU  15          HD22      LEU  15  -1.093  -9.085  -1.077
  128    H    ASP  16           HN       ASP  16  -2.141 -13.588   3.319
  129    HA   ASP  16           HA       ASP  16  -4.400 -15.165   2.482
  130   1HB   ASP  16           HB2      ASP  16  -2.181 -16.054   3.377
  131   2HB   ASP  16           HB1      ASP  16  -2.773 -15.628   4.988
  132    H    ALA  17           HN       ALA  17  -3.773 -13.048   5.232
  133    HA   ALA  17           HA       ALA  17  -6.087 -13.815   6.768
  134   1HB   ALA  17           HB3      ALA  17  -4.073 -12.514   7.616
  135   2HB   ALA  17           HB2      ALA  17  -4.740 -11.109   6.787
  136   3HB   ALA  17           HB1      ALA  17  -5.641 -11.870   8.099
  137    H    ALA  18           HN       ALA  18  -5.496 -11.230   4.413
  138    HA   ALA  18           HA       ALA  18  -8.031  -9.951   4.634
  139   1HB   ALA  18           HB3      ALA  18  -6.154 -10.240   2.276
  140   2HB   ALA  18           HB2      ALA  18  -7.551  -9.164   2.291
  141   3HB   ALA  18           HB1      ALA  18  -6.218  -8.895   3.414
  142    H    GLY  19           HN       GLY  19  -6.960 -12.778   2.815
  143   1HA   GLY  19           HA2      GLY  19  -8.224 -14.477   1.802
  144   2HA   GLY  19           HA1      GLY  19  -9.634 -13.821   2.633
  145    H    ASP  20           HN       ASP  20 -11.187 -13.254   1.197
  146    HA   ASP  20           HA       ASP  20 -10.453 -12.538  -1.570
  147   1HB   ASP  20           HB2      ASP  20 -13.146 -12.900  -0.243
  148   2HB   ASP  20           HB1      ASP  20 -12.892 -12.611  -1.963
  149    H    LYS  21           HN       LYS  21 -10.605 -10.789   1.194
  150    HA   LYS  21           HA       LYS  21 -12.211  -8.537   0.274
  151   1HB   LYS  21           HB2      LYS  21 -10.182  -8.778   2.513
  152   2HB   LYS  21           HB1      LYS  21 -11.225  -7.383   2.245
  153   1HG   LYS  21           HG2      LYS  21 -13.214  -8.870   2.450
  154   2HG   LYS  21           HG1      LYS  21 -12.138 -10.215   2.821
  155   1HD   LYS  21           HD2      LYS  21 -12.967  -9.296   4.912
  156   2HD   LYS  21           HD1      LYS  21 -11.253  -8.916   4.765
  157   1HE   LYS  21           HE2      LYS  21 -11.648  -6.648   4.380
  158   2HE   LYS  21           HE1      LYS  21 -13.269  -6.930   3.745
  159   1HZ   LYS  21           HZ2      LYS  21 -12.557  -7.465   6.565
  160   2HZ   LYS  21           HZ1      LYS  21 -13.107  -5.945   6.043
  161   3HZ   LYS  21           HZ3      LYS  21 -14.106  -7.305   5.885
  162    H    LEU  22           HN       LEU  22 -11.379  -6.487  -0.470
  163    HA   LEU  22           HA       LEU  22  -9.169  -6.655  -2.243
  164   1HB   LEU  22           HB2      LEU  22 -11.210  -4.851  -1.791
  165   2HB   LEU  22           HB1      LEU  22  -9.828  -3.957  -1.184
  166    HG   LEU  22           HG       LEU  22 -10.171  -5.098  -3.960
  167   1HD1  LEU  22          HD12      LEU  22 -10.570  -2.430  -2.724
  168   2HD1  LEU  22          HD11      LEU  22  -9.583  -2.390  -4.179
  169   3HD1  LEU  22          HD13      LEU  22 -11.199  -3.084  -4.230
  170   1HD2  LEU  22          HD21      LEU  22  -7.761  -3.900  -2.579
  171   2HD2  LEU  22          HD23      LEU  22  -7.850  -5.364  -3.563
  172   3HD2  LEU  22          HD22      LEU  22  -7.956  -3.786  -4.326
  173    H    VAL  23           HN       VAL  23  -7.034  -5.592  -2.010
  174    HA   VAL  23           HA       VAL  23  -6.199  -4.927   0.755
  175    HB   VAL  23           HB       VAL  23  -4.811  -6.992  -0.979
  176   1HG1  VAL  23          HG12      VAL  23  -4.134  -5.701   1.671
  177   2HG1  VAL  23          HG11      VAL  23  -3.423  -7.234   1.165
  178   3HG1  VAL  23          HG13      VAL  23  -3.142  -5.776   0.214
  179   1HG2  VAL  23          HG21      VAL  23  -6.507  -7.179   1.516
  180   2HG2  VAL  23          HG23      VAL  23  -6.675  -8.077   0.006
  181   3HG2  VAL  23          HG22      VAL  23  -5.337  -8.430   1.097
  182    H    VAL  24           HN       VAL  24  -5.370  -2.927   0.461
  183    HA   VAL  24           HA       VAL  24  -3.891  -2.327  -2.052
  184    HB   VAL  24           HB       VAL  24  -4.812  -0.457   0.157
  185   1HG1  VAL  24          HG12      VAL  24  -2.915   0.320  -1.308
  186   2HG1  VAL  24          HG11      VAL  24  -3.981   0.127  -2.699
  187   3HG1  VAL  24          HG13      VAL  24  -4.372   1.307  -1.449
  188   1HG2  VAL  24          HG22      VAL  24  -6.096  -1.293  -2.453
  189   2HG2  VAL  24          HG21      VAL  24  -6.771  -1.432  -0.830
  190   3HG2  VAL  24          HG23      VAL  24  -6.574   0.157  -1.572
  191    H    VAL  25           HN       VAL  25  -1.671  -1.756  -1.957
  192    HA   VAL  25           HA       VAL  25  -0.368  -1.967   0.752
  193    HB   VAL  25           HB       VAL  25   0.750  -2.937  -1.893
  194   1HG1  VAL  25          HG11      VAL  25   2.395  -2.238  -0.117
  195   2HG1  VAL  25          HG13      VAL  25   1.676  -3.456   0.938
  196   3HG1  VAL  25          HG12      VAL  25   2.488  -3.945  -0.550
  197   1HG2  VAL  25          HG21      VAL  25  -1.243  -4.237  -1.058
  198   2HG2  VAL  25          HG23      VAL  25   0.246  -5.176  -1.133
  199   3HG2  VAL  25          HG22      VAL  25  -0.337  -4.569   0.414
  200    H    ASP  26           HN       ASP  26   0.667  -0.156   1.290
  201    HA   ASP  26           HA       ASP  26   1.451   1.795  -0.836
  202   1HB   ASP  26           HB2      ASP  26   0.059   2.624   1.029
  203   2HB   ASP  26           HB1      ASP  26   1.281   2.103   2.187
  204    H    PHE  27           HN       PHE  27   3.560   1.852  -1.430
  205    HA   PHE  27           HA       PHE  27   5.629   0.582   0.311
  206   1HB   PHE  27           HB2      PHE  27   5.521   1.294  -2.620
  207   2HB   PHE  27           HB1      PHE  27   7.051   0.909  -1.827
  208    HD1  PHE  27           HD1      PHE  27   7.339  -1.308  -0.706
  209    HD2  PHE  27           HD2      PHE  27   3.958  -0.423  -3.199
  210    HE1  PHE  27           HE1      PHE  27   6.885  -3.734  -0.945
  211    HE2  PHE  27           HE2      PHE  27   3.505  -2.848  -3.427
  212    HZ   PHE  27           HZ       PHE  27   4.963  -4.504  -2.306
  213    H    SER  28           HN       SER  28   4.386   3.408   0.481
  214    HA   SER  28           HA       SER  28   6.252   5.354  -0.243
  215   1HB   SER  28           HB2      SER  28   4.647   5.243   2.315
  216   2HB   SER  28           HB1      SER  28   5.410   6.683   1.653
  217    HG   SER  28           HG       SER  28   3.053   6.104   1.159
  218    H    ALA  29           HN       ALA  29   8.027   6.277   0.720
  219    HA   ALA  29           HA       ALA  29   9.592   4.468   2.445
  220   1HB   ALA  29           HB1      ALA  29  10.113   6.791   0.666
  221   2HB   ALA  29           HB3      ALA  29  11.114   6.754   2.118
  222   3HB   ALA  29           HB2      ALA  29  11.134   5.392   0.998
  223    H    THR  30           HN       THR  30   9.533   4.697   4.635
  224    HA   THR  30           HA       THR  30   7.970   6.768   5.876
  225    HB   THR  30           HB       THR  30   8.344   4.565   6.952
  226    HG1  THR  30           HG1      THR  30   8.099   6.679   8.133
  227   1HG2  THR  30          HG22      THR  30  10.786   4.488   6.130
  228   2HG2  THR  30          HG21      THR  30  11.159   5.474   7.543
  229   3HG2  THR  30          HG23      THR  30  10.463   3.868   7.750
  230    H    TRP  31           HN       TRP  31  11.340   6.413   5.028
  231    HA   TRP  31           HA       TRP  31  12.268   8.650   6.658
  232   1HB   TRP  31           HB2      TRP  31  14.354   8.371   5.381
  233   2HB   TRP  31           HB1      TRP  31  13.760   6.822   5.979
  234    HD1  TRP  31           HD1      TRP  31  12.935   5.062   4.242
  235    HE1  TRP  31           HE1      TRP  31  13.119   4.898   1.675
  236    HE3  TRP  31           HE3      TRP  31  14.218   9.871   3.159
  237    HZ2  TRP  31           HZ2      TRP  31  13.686   6.609  -0.548
  238    HZ3  TRP  31           HZ3      TRP  31  14.543  10.590   0.810
  239    HH2  TRP  31           HH2      TRP  31  14.278   8.966  -1.041
  240    H    CYS  32           HN       CYS  32  10.687   8.407   3.587
  241    HA   CYS  32           HA       CYS  32  11.761  11.000   2.633
  242   1HB   CYS  32           HB2      CYS  32  11.184   9.023   1.097
  243   2HB   CYS  32           HB1      CYS  32   9.494   9.383   1.425
  244    H    GLY  33           HN       GLY  33  10.923  12.817   3.472
  245   1HA   GLY  33           HA2      GLY  33   8.628  12.913   5.125
  246   2HA   GLY  33           HA1      GLY  33   9.387  14.321   4.395
  247    HA   PRO  34           HA       PRO  34   6.269  14.921   1.310
  248   1HB   PRO  34           HB2      PRO  34   7.601  13.322  -0.826
  249   2HB   PRO  34           HB1      PRO  34   7.086  15.013  -0.845
  250   1HG   PRO  34           HG2      PRO  34   9.708  14.244  -0.646
  251   2HG   PRO  34           HG1      PRO  34   9.095  15.773  -0.003
  252   1HD   PRO  34           HD2      PRO  34   9.983  13.361   1.462
  253   2HD   PRO  34           HD1      PRO  34   9.787  15.023   2.068
  254    H    ALA  35           HN       ALA  35   7.549  11.606   1.261
  255    HA   ALA  35           HA       ALA  35   5.042  10.448   0.346
  256   1HB   ALA  35           HB2      ALA  35   7.521   9.542   0.172
  257   2HB   ALA  35           HB1      ALA  35   7.153   8.829   1.743
  258   3HB   ALA  35           HB3      ALA  35   6.176   8.418   0.332
  259    H    LYS  36           HN       LYS  36   6.755  10.527   3.494
  260    HA   LYS  36           HA       LYS  36   4.753   9.141   4.979
  261   1HB   LYS  36           HB2      LYS  36   7.060   9.705   5.818
  262   2HB   LYS  36           HB1      LYS  36   6.521  11.373   6.019
  263   1HG   LYS  36           HG2      LYS  36   4.671  10.540   7.498
  264   2HG   LYS  36           HG1      LYS  36   5.364   8.922   7.383
  265   1HD   LYS  36           HD2      LYS  36   7.496   9.799   8.305
  266   2HD   LYS  36           HD1      LYS  36   6.745  11.385   8.482
  267   1HE   LYS  36           HE2      LYS  36   5.053  10.425   9.996
  268   2HE   LYS  36           HE1      LYS  36   5.789   8.834   9.815
  269   1HZ   LYS  36           HZ2      LYS  36   7.708  10.818  10.517
  270   2HZ   LYS  36           HZ1      LYS  36   6.462  10.732  11.665
  271   3HZ   LYS  36           HZ3      LYS  36   7.357   9.343  11.281
  272    H    MET  37           HN       MET  37   5.103  12.545   4.130
  273    HA   MET  37           HA       MET  37   3.050  13.609   5.765
  274   1HB   MET  37           HB2      MET  37   4.725  14.943   4.452
  275   2HB   MET  37           HB1      MET  37   3.830  14.553   2.987
  276   1HG   MET  37           HG2      MET  37   3.050  16.709   3.704
  277   2HG   MET  37           HG1      MET  37   1.778  15.562   4.116
  278   1HE   MET  37           HE1      MET  37   4.969  17.347   5.326
  279   2HE   MET  37           HE3      MET  37   3.646  18.521   5.351
  280   3HE   MET  37           HE2      MET  37   4.430  18.043   6.853
  281    H    ILE  38           HN       ILE  38   2.927  11.783   2.803
  282    HA   ILE  38           HA       ILE  38   0.130  12.399   2.232
  283    HB   ILE  38           HB       ILE  38   2.035  10.335   1.079
  284   1HG1  ILE  38          HG12      ILE  38   0.908  12.872  -0.138
  285   2HG1  ILE  38          HG11      ILE  38   2.448  12.821   0.715
  286   1HG2  ILE  38          HG22      ILE  38  -0.864  10.948   0.514
  287   2HG2  ILE  38          HG21      ILE  38   0.191  10.418  -0.794
  288   3HG2  ILE  38          HG23      ILE  38  -0.051   9.385   0.612
  289   1HD1  ILE  38          HD12      ILE  38   3.136  10.968  -0.865
  290   2HD1  ILE  38          HD11      ILE  38   1.692  11.331  -1.801
  291   3HD1  ILE  38          HD13      ILE  38   2.949  12.551  -1.604
  292    H    LYS  39           HN       LYS  39   1.536  10.424   4.569
  293    HA   LYS  39           HA       LYS  39  -0.048   8.093   4.282
  294   1HB   LYS  39           HB2      LYS  39   0.626   7.401   6.408
  295   2HB   LYS  39           HB1      LYS  39   1.965   8.354   5.807
  296   1HG   LYS  39           HG2      LYS  39   1.470  10.171   7.254
  297   2HG   LYS  39           HG1      LYS  39  -0.148   9.579   7.611
  298   1HD   LYS  39           HD2      LYS  39   2.421   8.186   8.407
  299   2HD   LYS  39           HD1      LYS  39   1.456   9.204   9.473
  300   1HE   LYS  39           HE2      LYS  39   0.515   7.187  10.050
  301   2HE   LYS  39           HE1      LYS  39  -0.473   7.488   8.623
  302   1HZ   LYS  39           HZ2      LYS  39   1.920   6.349   7.771
  303   2HZ   LYS  39           HZ1      LYS  39   1.364   5.415   9.078
  304   3HZ   LYS  39           HZ3      LYS  39   0.364   5.662   7.731
  305    HA   PRO  40           HA       PRO  40  -3.253  10.214   7.301
  306   1HB   PRO  40           HB2      PRO  40  -3.615  12.723   5.731
  307   2HB   PRO  40           HB1      PRO  40  -3.584  12.494   7.489
  308   1HG   PRO  40           HG2      PRO  40  -1.538  13.668   6.197
  309   2HG   PRO  40           HG1      PRO  40  -1.264  12.616   7.596
  310   1HD   PRO  40           HD2      PRO  40  -0.875  12.030   4.695
  311   2HD   PRO  40           HD1      PRO  40   0.103  11.483   6.073
  312    H    PHE  41           HN       PHE  41  -3.240  10.994   3.784
  313    HA   PHE  41           HA       PHE  41  -6.064  10.441   3.489
  314   1HB   PHE  41           HB2      PHE  41  -3.742  10.668   1.572
  315   2HB   PHE  41           HB1      PHE  41  -5.311  10.129   1.011
  316    HD1  PHE  41           HD2      PHE  41  -3.576  12.913   2.756
  317    HD2  PHE  41           HD1      PHE  41  -7.074  11.629   0.616
  318    HE1  PHE  41           HE2      PHE  41  -4.374  15.263   2.657
  319    HE2  PHE  41           HE1      PHE  41  -7.882  13.979   0.529
  320    HZ   PHE  41           HZ       PHE  41  -6.528  15.792   1.545
  321    H    PHE  42           HN       PHE  42  -3.144   8.510   2.735
  322    HA   PHE  42           HA       PHE  42  -4.521   6.147   1.916
  323   1HB   PHE  42           HB2      PHE  42  -2.118   6.489   1.531
  324   2HB   PHE  42           HB1      PHE  42  -1.815   6.453   3.269
  325    HD1  PHE  42           HD1      PHE  42  -3.148   4.422   0.437
  326    HD2  PHE  42           HD2      PHE  42  -1.521   4.386   4.419
  327    HE1  PHE  42           HE1      PHE  42  -3.027   1.947   0.370
  328    HE2  PHE  42           HE2      PHE  42  -1.394   1.911   4.342
  329    HZ   PHE  42           HZ       PHE  42  -2.150   0.688   2.319
  330    H    HIS  43           HN       HIS  43  -3.175   7.033   5.073
  331    HA   HIS  43           HA       HIS  43  -4.149   4.724   6.459
  332   1HB   HIS  43           HB2      HIS  43  -2.263   6.105   7.238
  333   2HB   HIS  43           HB1      HIS  43  -3.351   7.471   7.486
  334    HD1  HIS  43           HD1      HIS  43  -2.253   4.248   8.979
  335    HD2  HIS  43           HD2      HIS  43  -5.148   7.149   9.700
  336    HE1  HIS  43           HE1      HIS  43  -3.228   3.731  11.259
  337    H    SER  44           HN       SER  44  -5.496   8.004   6.032
  338    HA   SER  44           HA       SER  44  -7.691   7.680   7.831
  339   1HB   SER  44           HB2      SER  44  -7.445   9.432   5.374
  340   2HB   SER  44           HB1      SER  44  -8.762   9.527   6.537
  341    HG   SER  44           HG       SER  44  -6.326   9.486   7.738
  342    H    LEU  45           HN       LEU  45  -7.385   6.923   4.375
  343    HA   LEU  45           HA       LEU  45 -10.115   6.368   3.902
  344   1HB   LEU  45           HB2      LEU  45  -7.625   5.218   2.662
  345   2HB   LEU  45           HB1      LEU  45  -9.231   4.831   2.076
  346    HG   LEU  45           HG       LEU  45  -8.338   7.704   2.382
  347   1HD1  LEU  45          HD12      LEU  45  -7.909   5.857   0.016
  348   2HD1  LEU  45          HD11      LEU  45  -7.769   7.616  -0.064
  349   3HD1  LEU  45          HD13      LEU  45  -6.665   6.687   0.952
  350   1HD2  LEU  45          HD23      LEU  45 -10.463   6.261   0.765
  351   2HD2  LEU  45          HD22      LEU  45 -10.700   7.497   2.001
  352   3HD2  LEU  45          HD21      LEU  45  -9.997   7.930   0.448
  353    H    SER  46           HN       SER  46  -7.729   4.513   5.646
  354    HA   SER  46           HA       SER  46  -8.765   1.918   5.381
  355   1HB   SER  46           HB2      SER  46  -7.776   3.215   7.934
  356   2HB   SER  46           HB1      SER  46  -7.930   1.485   7.663
  357    HG   SER  46           HG       SER  46  -6.561   2.259   5.649
  358    H    GLU  47           HN       GLU  47  -9.917   4.581   7.409
  359    HA   GLU  47           HA       GLU  47 -12.114   2.954   8.481
  360   1HB   GLU  47           HB2      GLU  47 -11.413   5.901   8.694
  361   2HB   GLU  47           HB1      GLU  47 -12.829   5.182   9.460
  362   1HG   GLU  47           HG2      GLU  47 -11.100   5.186  11.121
  363   2HG   GLU  47           HG1      GLU  47 -11.240   3.519  10.559
  364    H    LYS  48           HN       LYS  48 -11.543   4.886   5.662
  365    HA   LYS  48           HA       LYS  48 -14.334   5.616   5.242
  366   1HB   LYS  48           HB2      LYS  48 -12.435   6.876   4.175
  367   2HB   LYS  48           HB1      LYS  48 -12.096   5.446   3.199
  368   1HG   LYS  48           HG2      LYS  48 -13.441   6.980   1.885
  369   2HG   LYS  48           HG1      LYS  48 -14.413   5.566   2.278
  370   1HD   LYS  48           HD2      LYS  48 -15.738   6.732   3.817
  371   2HD   LYS  48           HD1      LYS  48 -14.510   7.967   4.097
  372   1HE   LYS  48           HE2      LYS  48 -14.903   8.886   1.852
  373   2HE   LYS  48           HE1      LYS  48 -16.081   7.617   1.524
  374   1HZ   LYS  48           HZ3      LYS  48 -17.164   8.517   3.689
  375   2HZ   LYS  48           HZ2      LYS  48 -16.284   9.927   3.328
  376   3HZ   LYS  48           HZ1      LYS  48 -17.420   9.321   2.218
  377    H    TYR  49           HN       TYR  49 -12.142   3.053   4.281
  378    HA   TYR  49           HA       TYR  49 -14.504   1.461   3.312
  379   1HB   TYR  49           HB2      TYR  49 -11.664   1.449   2.213
  380   2HB   TYR  49           HB1      TYR  49 -12.946   0.340   1.720
  381    HD1  TYR  49           HD2      TYR  49 -15.068   1.283   0.694
  382    HD2  TYR  49           HD1      TYR  49 -11.539   3.657   1.313
  383    HE1  TYR  49           HE2      TYR  49 -15.929   2.980  -0.896
  384    HE2  TYR  49           HE1      TYR  49 -12.405   5.352  -0.276
  385    HH   TYR  49           HH       TYR  49 -15.621   5.019  -1.749
  386    H    SER  50           HN       SER  50 -14.355   1.085   5.743
  387    HA   SER  50           HA       SER  50 -12.210  -0.372   6.917
  388   1HB   SER  50           HB2      SER  50 -13.742  -0.813   8.714
  389   2HB   SER  50           HB1      SER  50 -14.121   0.790   8.109
  390    HG   SER  50           HG       SER  50 -15.747  -1.248   8.318
  391    H    ASN  51           HN       ASN  51 -14.371  -1.242   4.498
  392    HA   ASN  51           HA       ASN  51 -14.342  -4.136   5.131
  393   1HB   ASN  51           HB2      ASN  51 -16.369  -2.929   4.161
  394   2HB   ASN  51           HB1      ASN  51 -15.451  -2.783   2.664
  395   1HD2  ASN  51          HD22      ASN  51 -16.151  -6.084   1.679
  396   2HD2  ASN  51          HD21      ASN  51 -15.594  -4.539   1.251
  397    H    VAL  52           HN       VAL  52 -12.105  -2.131   4.095
  398    HA   VAL  52           HA       VAL  52 -10.943  -4.058   2.132
  399    HB   VAL  52           HB       VAL  52 -10.877  -1.028   2.089
  400   1HG1  VAL  52          HG13      VAL  52  -9.091  -3.073   0.795
  401   2HG1  VAL  52          HG12      VAL  52  -9.493  -1.612  -0.105
  402   3HG1  VAL  52          HG11      VAL  52  -8.683  -1.494   1.454
  403   1HG2  VAL  52          HG21      VAL  52 -11.858  -3.138   0.141
  404   2HG2  VAL  52          HG23      VAL  52 -12.857  -2.019   1.067
  405   3HG2  VAL  52          HG22      VAL  52 -11.800  -1.410  -0.206
  406    H    ILE  53           HN       ILE  53  -8.722  -4.474   2.472
  407    HA   ILE  53           HA       ILE  53  -7.720  -3.548   5.141
  408    HB   ILE  53           HB       ILE  53  -6.588  -5.714   3.351
  409   1HG1  ILE  53          HG12      ILE  53  -8.884  -6.323   3.825
  410   2HG1  ILE  53          HG11      ILE  53  -7.843  -7.281   4.874
  411   1HG2  ILE  53          HG23      ILE  53  -5.249  -4.659   5.298
  412   2HG2  ILE  53          HG22      ILE  53  -6.393  -5.477   6.356
  413   3HG2  ILE  53          HG21      ILE  53  -5.383  -6.415   5.257
  414   1HD1  ILE  53          HD12      ILE  53  -8.210  -5.409   6.627
  415   2HD1  ILE  53          HD11      ILE  53  -9.551  -4.900   5.599
  416   3HD1  ILE  53          HD13      ILE  53  -9.549  -6.512   6.312
  417    H    PHE  54           HN       PHE  54  -6.236  -1.938   5.175
  418    HA   PHE  54           HA       PHE  54  -4.665  -1.362   2.689
  419   1HB   PHE  54           HB2      PHE  54  -5.207   0.329   5.156
  420   2HB   PHE  54           HB1      PHE  54  -4.176   0.825   3.815
  421    HD1  PHE  54           HD1      PHE  54  -7.650  -0.316   4.606
  422    HD2  PHE  54           HD2      PHE  54  -5.119   1.863   1.909
  423    HE1  PHE  54           HE1      PHE  54  -9.649   0.503   3.383
  424    HE2  PHE  54           HE2      PHE  54  -7.117   2.672   0.682
  425    HZ   PHE  54           HZ       PHE  54  -9.379   1.990   1.421
  426    H    LEU  55           HN       LEU  55  -2.529  -1.910   2.693
  427    HA   LEU  55           HA       LEU  55  -1.209  -2.571   5.304
  428   1HB   LEU  55           HB2      LEU  55  -0.742  -3.590   2.492
  429   2HB   LEU  55           HB1      LEU  55   0.478  -3.782   3.751
  430    HG   LEU  55           HG       LEU  55  -0.925  -5.205   5.033
  431   1HD1  LEU  55          HD12      LEU  55  -3.177  -4.182   3.304
  432   2HD1  LEU  55          HD11      LEU  55  -3.331  -5.646   4.271
  433   3HD1  LEU  55          HD13      LEU  55  -3.010  -4.108   5.063
  434   1HD2  LEU  55          HD21      LEU  55  -0.012  -6.162   2.871
  435   2HD2  LEU  55          HD23      LEU  55  -1.398  -7.023   3.539
  436   3HD2  LEU  55          HD22      LEU  55  -1.615  -5.928   2.178
  437    H    GLU  56           HN       GLU  56   0.739  -1.604   5.795
  438    HA   GLU  56           HA       GLU  56   1.686   0.551   3.931
  439   1HB   GLU  56           HB2      GLU  56   0.868   1.244   6.256
  440   2HB   GLU  56           HB1      GLU  56   2.240   0.346   6.905
  441   1HG   GLU  56           HG2      GLU  56   3.757   1.717   5.443
  442   2HG   GLU  56           HG1      GLU  56   2.355   2.687   4.984
  443    H    VAL  57           HN       VAL  57   3.723   0.243   3.119
  444    HA   VAL  57           HA       VAL  57   5.444  -1.858   4.412
  445    HB   VAL  57           HB       VAL  57   5.124  -1.334   1.448
  446   1HG1  VAL  57          HG11      VAL  57   6.603  -3.430   3.048
  447   2HG1  VAL  57          HG13      VAL  57   6.358  -3.498   1.307
  448   3HG1  VAL  57          HG12      VAL  57   7.316  -2.197   2.005
  449   1HG2  VAL  57          HG23      VAL  57   4.038  -3.546   3.200
  450   2HG2  VAL  57          HG22      VAL  57   3.086  -2.310   2.386
  451   3HG2  VAL  57          HG21      VAL  57   3.956  -3.520   1.442
  452    H    ASP  58           HN       ASP  58   7.482  -1.210   4.827
  453    HA   ASP  58           HA       ASP  58   8.367   1.491   3.925
  454   1HB   ASP  58           HB2      ASP  58   8.451   0.758   6.349
  455   2HB   ASP  58           HB1      ASP  58   9.699  -0.397   5.869
  456    H    VAL  59           HN       VAL  59   9.676   1.576   2.117
  457    HA   VAL  59           HA       VAL  59  10.848  -0.834   0.995
  458    HB   VAL  59           HB       VAL  59  12.056   0.740  -0.516
  459   1HG1  VAL  59          HG11      VAL  59   9.125   1.339  -0.017
  460   2HG1  VAL  59          HG13      VAL  59  10.003   1.823  -1.466
  461   3HG1  VAL  59          HG12      VAL  59   9.782   0.114  -1.101
  462   1HG2  VAL  59          HG21      VAL  59  10.795   2.856   1.253
  463   2HG2  VAL  59          HG23      VAL  59  12.519   2.530   1.083
  464   3HG2  VAL  59          HG22      VAL  59  11.606   3.174  -0.281
  465    H    ASP  60           HN       ASP  60  11.766   1.271   3.538
  466    HA   ASP  60           HA       ASP  60  14.647   0.573   3.291
  467   1HB   ASP  60           HB2      ASP  60  13.041   2.463   4.995
  468   2HB   ASP  60           HB1      ASP  60  14.683   2.040   5.445
  469    H    ASP  61           HN       ASP  61  11.964   0.066   5.641
  470    HA   ASP  61           HA       ASP  61  13.722  -1.841   7.132
  471   1HB   ASP  61           HB2      ASP  61  10.928  -0.805   7.752
  472   2HB   ASP  61           HB1      ASP  61  11.880  -1.870   8.793
  473    H    ALA  62           HN       ALA  62  11.212  -1.729   4.823
  474    HA   ALA  62           HA       ALA  62  10.776  -4.684   5.064
  475   1HB   ALA  62           HB3      ALA  62   8.805  -2.915   5.415
  476   2HB   ALA  62           HB2      ALA  62   8.792  -2.925   3.653
  477   3HB   ALA  62           HB1      ALA  62   8.524  -4.422   4.542
  478    H    GLN  63           HN       GLN  63  12.923  -3.386   3.738
  479    HA   GLN  63           HA       GLN  63  12.545  -2.952   0.970
  480   1HB   GLN  63           HB2      GLN  63  14.952  -3.221   0.788
  481   2HB   GLN  63           HB1      GLN  63  14.596  -2.368   2.284
  482   1HG   GLN  63           HG2      GLN  63  15.150  -5.345   2.086
  483   2HG   GLN  63           HG1      GLN  63  16.305  -4.126   2.607
  484   1HE2  GLN  63          HE22      GLN  63  15.000  -3.883   5.871
  485   2HE2  GLN  63          HE21      GLN  63  16.153  -3.327   4.756
  486    H    ASP  64           HN       ASP  64  12.652  -5.927   2.783
  487    HA   ASP  64           HA       ASP  64  13.356  -7.645   0.593
  488   1HB   ASP  64           HB2      ASP  64  12.246  -9.434   2.018
  489   2HB   ASP  64           HB1      ASP  64  13.528  -8.531   2.819
  490    H    VAL  65           HN       VAL  65  10.340  -6.286   1.777
  491    HA   VAL  65           HA       VAL  65   8.640  -7.827   0.012
  492    HB   VAL  65           HB       VAL  65   8.012  -5.101   1.176
  493   1HG1  VAL  65          HG11      VAL  65   6.336  -7.554   0.562
  494   2HG1  VAL  65          HG13      VAL  65   5.727  -6.054   1.263
  495   3HG1  VAL  65          HG12      VAL  65   6.373  -6.059  -0.378
  496   1HG2  VAL  65          HG23      VAL  65   8.203  -7.777   2.541
  497   2HG2  VAL  65          HG22      VAL  65   8.811  -6.220   3.082
  498   3HG2  VAL  65          HG21      VAL  65   7.081  -6.555   3.122
  499    H    ALA  66           HN       ALA  66  10.037  -4.547  -0.058
  500    HA   ALA  66           HA       ALA  66   8.837  -3.824  -2.571
  501   1HB   ALA  66           HB1      ALA  66   9.860  -2.308  -0.716
  502   2HB   ALA  66           HB3      ALA  66  11.385  -2.585  -1.556
  503   3HB   ALA  66           HB2      ALA  66  10.034  -1.826  -2.401
  504    H    SER  67           HN       SER  67  12.050  -5.159  -1.736
  505    HA   SER  67           HA       SER  67  13.142  -4.933  -4.369
  506   1HB   SER  67           HB2      SER  67  14.757  -6.629  -3.666
  507   2HB   SER  67           HB1      SER  67  14.491  -5.490  -2.352
  508    HG   SER  67           HG       SER  67  14.195  -8.096  -2.302
  509    H    GLU  68           HN       GLU  68  11.015  -7.312  -2.900
  510    HA   GLU  68           HA       GLU  68  11.202  -9.332  -4.920
  511   1HB   GLU  68           HB2      GLU  68  10.091  -9.608  -2.675
  512   2HB   GLU  68           HB1      GLU  68   8.763  -8.606  -3.264
  513   1HG   GLU  68           HG2      GLU  68   8.476 -10.239  -5.166
  514   2HG   GLU  68           HG1      GLU  68   9.661 -11.280  -4.375
  515    H    ALA  69           HN       ALA  69   9.227  -6.417  -4.605
  516    HA   ALA  69           HA       ALA  69   7.827  -6.981  -7.134
  517   1HB   ALA  69           HB1      ALA  69   6.617  -5.997  -5.212
  518   2HB   ALA  69           HB3      ALA  69   7.655  -4.575  -5.311
  519   3HB   ALA  69           HB2      ALA  69   6.559  -4.960  -6.639
  520    H    GLU  70           HN       GLU  70  10.839  -5.782  -6.490
  521    HA   GLU  70           HA       GLU  70  12.293  -4.394  -7.707
  522   1HB   GLU  70           HB2      GLU  70  10.295  -5.039  -9.898
  523   2HB   GLU  70           HB1      GLU  70  11.846  -4.250 -10.160
  524   1HG   GLU  70           HG2      GLU  70  12.231  -6.545 -10.604
  525   2HG   GLU  70           HG1      GLU  70  12.904  -6.263  -9.001
  526    H    VAL  71           HN       VAL  71  10.635  -2.879  -6.128
  527    HA   VAL  71           HA       VAL  71   9.032  -0.992  -7.575
  528    HB   VAL  71           HB       VAL  71  10.534  -0.491  -4.981
  529   1HG1  VAL  71          HG12      VAL  71   8.121   0.755  -6.338
  530   2HG1  VAL  71          HG11      VAL  71   8.490   1.012  -4.635
  531   3HG1  VAL  71          HG13      VAL  71   9.630   1.542  -5.878
  532   1HG2  VAL  71          HG21      VAL  71   7.874  -1.852  -5.561
  533   2HG2  VAL  71          HG23      VAL  71   9.242  -2.500  -4.657
  534   3HG2  VAL  71          HG22      VAL  71   8.275  -1.193  -3.975
  535    H    LYS  72           HN       LYS  72   9.620   0.791  -8.746
  536    HA   LYS  72           HA       LYS  72  12.529   1.419  -8.903
  537   1HB   LYS  72           HB2      LYS  72  10.265   2.112 -10.792
  538   2HB   LYS  72           HB1      LYS  72  11.970   2.465 -11.060
  539   1HG   LYS  72           HG2      LYS  72  11.049  -0.373 -10.556
  540   2HG   LYS  72           HG1      LYS  72  10.970   0.330 -12.170
  541   1HD   LYS  72           HD2      LYS  72  13.402   0.828 -12.055
  542   2HD   LYS  72           HD1      LYS  72  13.468   0.054 -10.472
  543   1HE   LYS  72           HE2      LYS  72  12.675  -2.058 -11.444
  544   2HE   LYS  72           HE1      LYS  72  12.564  -1.297 -13.031
  545   1HZ   LYS  72           HZ2      LYS  72  15.121  -0.886 -11.862
  546   2HZ   LYS  72           HZ1      LYS  72  14.760  -2.543 -11.953
  547   3HZ   LYS  72           HZ3      LYS  72  14.722  -1.591 -13.356
  548    H    ALA  73           HN       ALA  73   9.571   2.686  -7.675
  549    HA   ALA  73           HA       ALA  73  10.955   5.100  -6.806
  550   1HB   ALA  73           HB3      ALA  73  10.113   5.467  -9.254
  551   2HB   ALA  73           HB2      ALA  73   8.532   5.649  -8.496
  552   3HB   ALA  73           HB1      ALA  73   9.855   6.731  -8.054
  553    H    THR  74           HN       THR  74   9.669   6.386  -5.313
  554    HA   THR  74           HA       THR  74   7.175   5.055  -4.315
  555    HB   THR  74           HB       THR  74   7.912   5.415  -2.024
  556    HG1  THR  74           HG1      THR  74  10.139   6.321  -1.853
  557   1HG2  THR  74          HG23      THR  74  10.139   4.300  -3.712
  558   2HG2  THR  74          HG22      THR  74  10.068   4.162  -1.960
  559   3HG2  THR  74          HG21      THR  74   8.830   3.397  -2.958
  560    HA   PRO  75           HA       PRO  75   5.810   5.736  -2.477
  561   1HB   PRO  75           HB2      PRO  75   3.245   6.773  -2.498
  562   2HB   PRO  75           HB1      PRO  75   4.489   7.214  -1.324
  563   1HG   PRO  75           HG2      PRO  75   3.450   8.775  -3.621
  564   2HG   PRO  75           HG1      PRO  75   4.200   9.341  -2.123
  565   1HD   PRO  75           HD2      PRO  75   5.452   9.186  -4.671
  566   2HD   PRO  75           HD1      PRO  75   6.273   9.474  -3.112
  567    H    THR  76           HN       THR  76   4.882   3.869  -3.209
  568    HA   THR  76           HA       THR  76   3.449   3.937  -5.841
  569    HB   THR  76           HB       THR  76   5.346   1.791  -4.854
  570    HG1  THR  76           HG1      THR  76   6.151   2.594  -7.110
  571   1HG2  THR  76          HG21      THR  76   3.536   1.977  -7.257
  572   2HG2  THR  76          HG23      THR  76   4.933   0.906  -7.217
  573   3HG2  THR  76          HG22      THR  76   3.623   0.687  -6.059
  574    H    PHE  77           HN       PHE  77   1.596   2.803  -5.905
  575    HA   PHE  77           HA       PHE  77   0.741   1.406  -3.395
  576   1HB   PHE  77           HB2      PHE  77  -0.935   2.848  -5.475
  577   2HB   PHE  77           HB1      PHE  77  -1.556   2.044  -4.032
  578    HD1  PHE  77           HD1      PHE  77  -0.959   2.914  -1.755
  579    HD2  PHE  77           HD2      PHE  77   0.116   4.996  -5.357
  580    HE1  PHE  77           HE1      PHE  77  -0.514   4.966  -0.435
  581    HE2  PHE  77           HE2      PHE  77   0.561   7.051  -4.033
  582    HZ   PHE  77           HZ       PHE  77   0.247   7.038  -1.572
  583    H    GLN  78           HN       GLN  78   0.248  -0.724  -3.622
  584    HA   GLN  78           HA       GLN  78  -0.244  -1.774  -6.391
  585   1HB   GLN  78           HB2      GLN  78   1.325  -3.032  -4.138
  586   2HB   GLN  78           HB1      GLN  78   0.803  -3.911  -5.574
  587   1HG   GLN  78           HG2      GLN  78   2.000  -2.203  -6.967
  588   2HG   GLN  78           HG1      GLN  78   2.641  -1.502  -5.482
  589   1HE2  GLN  78          HE22      GLN  78   5.370  -3.728  -5.963
  590   2HE2  GLN  78          HE21      GLN  78   4.860  -2.110  -6.008
  591    H    PHE  79           HN       PHE  79  -1.903  -3.180  -6.598
  592    HA   PHE  79           HA       PHE  79  -3.638  -3.533  -4.172
  593   1HB   PHE  79           HB2      PHE  79  -4.297  -3.541  -7.124
  594   2HB   PHE  79           HB1      PHE  79  -5.458  -3.859  -5.829
  595    HD1  PHE  79           HD2      PHE  79  -3.013  -1.350  -7.096
  596    HD2  PHE  79           HD1      PHE  79  -6.445  -2.068  -4.628
  597    HE1  PHE  79           HE2      PHE  79  -3.266   1.086  -6.742
  598    HE2  PHE  79           HE1      PHE  79  -6.705   0.366  -4.267
  599    HZ   PHE  79           HZ       PHE  79  -5.117   1.949  -5.327
  600    H    PHE  80           HN       PHE  80  -4.200  -5.507  -3.518
  601    HA   PHE  80           HA       PHE  80  -3.465  -7.849  -5.208
  602   1HB   PHE  80           HB2      PHE  80  -2.919  -7.420  -2.271
  603   2HB   PHE  80           HB1      PHE  80  -2.879  -9.010  -3.030
  604    HD1  PHE  80           HD2      PHE  80  -1.257  -5.677  -2.883
  605    HD2  PHE  80           HD1      PHE  80  -1.146  -9.626  -4.586
  606    HE1  PHE  80           HE2      PHE  80   1.055  -5.282  -3.670
  607    HE2  PHE  80           HE1      PHE  80   1.171  -9.221  -5.373
  608    HZ   PHE  80           HZ       PHE  80   2.271  -7.044  -4.915
  609    H    LYS  81           HN       LYS  81  -4.865  -9.622  -5.041
  610    HA   LYS  81           HA       LYS  81  -7.157  -9.435  -3.171
  611   1HB   LYS  81           HB2      LYS  81  -7.654  -8.227  -5.440
  612   2HB   LYS  81           HB1      LYS  81  -7.711  -9.854  -6.116
  613   1HG   LYS  81           HG2      LYS  81  -9.413 -10.466  -4.386
  614   2HG   LYS  81           HG1      LYS  81  -9.412  -8.788  -3.845
  615   1HD   LYS  81           HD2      LYS  81  -9.961  -8.150  -6.260
  616   2HD   LYS  81           HD1      LYS  81 -10.279  -9.862  -6.533
  617   1HE   LYS  81           HE2      LYS  81 -11.930  -9.832  -4.681
  618   2HE   LYS  81           HE1      LYS  81 -11.643  -8.102  -4.478
  619   1HZ   LYS  81           HZ2      LYS  81 -12.325  -7.791  -6.804
  620   2HZ   LYS  81           HZ1      LYS  81 -12.697  -9.446  -6.911
  621   3HZ   LYS  81           HZ3      LYS  81 -13.570  -8.449  -5.851
  622    H    LYS  82           HN       LYS  82  -7.389 -11.452  -2.366
  623    HA   LYS  82           HA       LYS  82  -7.205 -13.778  -2.139
  624   1HB   LYS  82           HB2      LYS  82  -7.376 -13.729  -5.182
  625   2HB   LYS  82           HB1      LYS  82  -7.485 -15.168  -4.178
  626   1HG   LYS  82           HG2      LYS  82  -9.404 -13.996  -2.972
  627   2HG   LYS  82           HG1      LYS  82  -9.412 -12.847  -4.308
  628   1HD   LYS  82           HD2      LYS  82  -9.559 -14.888  -5.852
  629   2HD   LYS  82           HD1      LYS  82  -9.918 -15.827  -4.403
  630   1HE   LYS  82           HE2      LYS  82 -11.866 -14.421  -3.937
  631   2HE   LYS  82           HE1      LYS  82 -11.481 -13.397  -5.323
  632   1HZ   LYS  82           HZ3      LYS  82 -11.520 -15.790  -6.474
  633   2HZ   LYS  82           HZ2      LYS  82 -12.663 -16.049  -5.243
  634   3HZ   LYS  82           HZ1      LYS  82 -12.885 -14.790  -6.366
  635    H    GLY  83           HN       GLY  83  -4.833 -12.019  -2.442
  636   1HA   GLY  83           HA2      GLY  83  -2.514 -12.428  -2.346
  637   2HA   GLY  83           HA1      GLY  83  -2.837 -14.117  -2.739
  638    H    GLN  84           HN       GLN  84  -4.338 -11.878  -4.865
  639    HA   GLN  84           HA       GLN  84  -2.234 -12.402  -6.937
  640   1HB   GLN  84           HB2      GLN  84  -5.197 -11.884  -7.333
  641   2HB   GLN  84           HB1      GLN  84  -4.036 -12.259  -8.599
  642   1HG   GLN  84           HG2      GLN  84  -4.732 -14.109  -6.300
  643   2HG   GLN  84           HG1      GLN  84  -5.387 -14.239  -7.930
  644   1HE2  GLN  84          HE22      GLN  84  -1.459 -15.223  -7.280
  645   2HE2  GLN  84          HE21      GLN  84  -2.259 -14.193  -6.194
  646    H    LYS  85           HN       LYS  85  -1.321 -10.644  -7.952
  647    HA   LYS  85           HA       LYS  85  -2.064  -7.942  -7.055
  648   1HB   LYS  85           HB2      LYS  85   0.308  -8.574  -7.538
  649   2HB   LYS  85           HB1      LYS  85  -0.127  -8.802  -9.231
  650   1HG   LYS  85           HG2      LYS  85  -0.867  -6.427  -9.337
  651   2HG   LYS  85           HG1      LYS  85  -0.368  -6.215  -7.665
  652   1HD   LYS  85           HD2      LYS  85   1.502  -5.427  -8.835
  653   2HD   LYS  85           HD1      LYS  85   1.955  -7.098  -8.507
  654   1HE   LYS  85           HE2      LYS  85   1.273  -7.765 -10.754
  655   2HE   LYS  85           HE1      LYS  85   0.657  -6.147 -11.085
  656   1HZ   LYS  85           HZ2      LYS  85   3.480  -6.787 -10.429
  657   2HZ   LYS  85           HZ1      LYS  85   2.886  -6.530 -11.999
  658   3HZ   LYS  85           HZ3      LYS  85   2.864  -5.266 -10.868
  659    H    VAL  86           HN       VAL  86  -3.620  -6.746  -8.037
  660    HA   VAL  86           HA       VAL  86  -4.338  -7.391 -10.877
  661    HB   VAL  86           HB       VAL  86  -6.667  -6.724 -10.262
  662   1HG1  VAL  86          HG11      VAL  86  -5.730  -9.133 -10.203
  663   2HG1  VAL  86          HG13      VAL  86  -5.709  -8.951  -8.449
  664   3HG1  VAL  86          HG12      VAL  86  -7.233  -8.835  -9.330
  665   1HG2  VAL  86          HG23      VAL  86  -6.023  -5.355  -8.279
  666   2HG2  VAL  86          HG22      VAL  86  -7.245  -6.565  -7.883
  667   3HG2  VAL  86          HG21      VAL  86  -5.559  -6.834  -7.439
  668    H    GLY  87           HN       GLY  87  -2.765  -5.086  -9.199
  669   1HA   GLY  87           HA2      GLY  87  -3.175  -3.085 -11.202
  670   2HA   GLY  87           HA1      GLY  87  -4.183  -2.679  -9.817
  671    H    GLU  88           HN       GLU  88  -1.898  -1.195 -10.867
  672    HA   GLU  88           HA       GLU  88  -0.528  -0.674  -8.363
  673   1HB   GLU  88           HB2      GLU  88   0.838  -2.563  -8.971
  674   2HB   GLU  88           HB1      GLU  88   0.982  -1.998 -10.629
  675   1HG   GLU  88           HG2      GLU  88   1.978  -0.307  -8.332
  676   2HG   GLU  88           HG1      GLU  88   2.977  -1.599  -8.998
  677    H    PHE  89           HN       PHE  89   0.544   1.333  -8.410
  678    HA   PHE  89           HA       PHE  89   1.133   2.646 -10.918
  679   1HB   PHE  89           HB2      PHE  89  -0.455   4.437 -10.897
  680   2HB   PHE  89           HB1      PHE  89  -1.365   2.936 -10.807
  681    HD1  PHE  89           HD1      PHE  89  -0.055   5.776  -8.822
  682    HD2  PHE  89           HD2      PHE  89  -2.776   2.462  -8.915
  683    HE1  PHE  89           HE1      PHE  89  -1.164   6.639  -6.776
  684    HE2  PHE  89           HE2      PHE  89  -3.887   3.319  -6.860
  685    HZ   PHE  89           HZ       PHE  89  -3.084   5.413  -5.792
  686    H    SER  90           HN       SER  90   2.028   4.845 -10.556
  687    HA   SER  90           HA       SER  90   3.022   5.209  -7.746
  688   1HB   SER  90           HB2      SER  90   5.133   6.032  -8.698
  689   2HB   SER  90           HB1      SER  90   4.835   4.366  -9.200
  690    HG   SER  90           HG       SER  90   5.154   5.231 -11.114
  691    H    GLY  91           HN       GLY  91   3.617   7.410  -7.247
  692   1HA   GLY  91           HA2      GLY  91   3.613   9.787  -8.086
  693   2HA   GLY  91           HA1      GLY  91   2.067   9.425  -8.846
  694    H    ALA  92           HN       ALA  92   2.912  11.313  -6.591
  695    HA   ALA  92           HA       ALA  92   1.563  10.279  -4.228
  696   1HB   ALA  92           HB2      ALA  92   2.649  12.952  -5.098
  697   2HB   ALA  92           HB1      ALA  92   1.713  12.809  -3.611
  698   3HB   ALA  92           HB3      ALA  92   3.217  11.906  -3.801
  699    H    ASN  93           HN       ASN  93  -0.382   9.693  -5.795
  700    HA   ASN  93           HA       ASN  93  -2.310  11.999  -5.846
  701   1HB   ASN  93           HB2      ASN  93  -1.599  11.061  -8.099
  702   2HB   ASN  93           HB1      ASN  93  -2.382   9.552  -7.626
  703   1HD2  ASN  93          HD22      ASN  93  -5.284  12.292  -7.341
  704   2HD2  ASN  93          HD21      ASN  93  -4.058  12.107  -6.185
  705    H    LYS  94           HN       LYS  94  -3.149  11.522  -3.736
  706    HA   LYS  94           HA       LYS  94  -3.930   8.880  -2.893
  707   1HB   LYS  94           HB2      LYS  94  -5.290  10.119  -1.203
  708   2HB   LYS  94           HB1      LYS  94  -3.578  10.530  -1.215
  709   1HG   LYS  94           HG2      LYS  94  -5.147  12.235  -3.046
  710   2HG   LYS  94           HG1      LYS  94  -5.714  12.354  -1.388
  711   1HD   LYS  94           HD2      LYS  94  -3.410  12.835  -0.633
  712   2HD   LYS  94           HD1      LYS  94  -2.854  12.744  -2.307
  713   1HE   LYS  94           HE2      LYS  94  -3.212  15.060  -1.822
  714   2HE   LYS  94           HE1      LYS  94  -4.546  14.541  -2.847
  715   1HZ   LYS  94           HZ1      LYS  94  -4.759  14.461   0.090
  716   2HZ   LYS  94           HZ3      LYS  94  -5.088  15.886  -0.770
  717   3HZ   LYS  94           HZ2      LYS  94  -6.002  14.485  -1.067
  718    H    GLU  95           HN       GLU  95  -5.662  11.431  -4.643
  719    HA   GLU  95           HA       GLU  95  -8.283  10.377  -4.273
  720   1HB   GLU  95           HB2      GLU  95  -7.100  11.942  -6.588
  721   2HB   GLU  95           HB1      GLU  95  -8.823  11.664  -6.345
  722   1HG   GLU  95           HG2      GLU  95  -7.034  12.980  -4.290
  723   2HG   GLU  95           HG1      GLU  95  -8.014  13.880  -5.451
  724    H    LYS  96           HN       LYS  96  -5.669   9.532  -6.400
  725    HA   LYS  96           HA       LYS  96  -7.063   7.966  -8.313
  726   1HB   LYS  96           HB2      LYS  96  -4.638   8.729  -8.319
  727   2HB   LYS  96           HB1      LYS  96  -4.304   7.409  -7.214
  728   1HG   LYS  96           HG2      LYS  96  -4.843   5.756  -8.802
  729   2HG   LYS  96           HG1      LYS  96  -5.692   6.902  -9.841
  730   1HD   LYS  96           HD2      LYS  96  -3.590   8.040 -10.359
  731   2HD   LYS  96           HD1      LYS  96  -2.715   6.958  -9.276
  732   1HE   LYS  96           HE2      LYS  96  -3.457   5.025 -10.674
  733   2HE   LYS  96           HE1      LYS  96  -4.223   6.160 -11.785
  734   1HZ   LYS  96           HZ1      LYS  96  -1.433   6.643 -11.098
  735   2HZ   LYS  96           HZ3      LYS  96  -1.754   5.319 -12.108
  736   3HZ   LYS  96           HZ2      LYS  96  -2.249   6.879 -12.569
  737    H    LEU  97           HN       LEU  97  -5.852   7.240  -5.082
  738    HA   LEU  97           HA       LEU  97  -6.175   4.415  -5.090
  739   1HB   LEU  97           HB2      LEU  97  -6.530   6.468  -2.890
  740   2HB   LEU  97           HB1      LEU  97  -6.574   4.741  -2.596
  741    HG   LEU  97           HG       LEU  97  -4.222   6.146  -3.890
  742   1HD1  LEU  97          HD11      LEU  97  -4.712   5.396  -0.990
  743   2HD1  LEU  97          HD13      LEU  97  -3.171   5.957  -1.632
  744   3HD1  LEU  97          HD12      LEU  97  -4.569   7.030  -1.628
  745   1HD2  LEU  97          HD22      LEU  97  -4.766   3.361  -2.830
  746   2HD2  LEU  97          HD21      LEU  97  -4.062   3.833  -4.375
  747   3HD2  LEU  97          HD23      LEU  97  -3.123   3.985  -2.896
  748    H    GLU  98           HN       GLU  98  -8.392   7.058  -4.454
  749    HA   GLU  98           HA       GLU  98 -10.583   5.501  -3.504
  750   1HB   GLU  98           HB2      GLU  98 -10.410   7.988  -3.352
  751   2HB   GLU  98           HB1      GLU  98 -10.735   8.088  -5.080
  752   1HG   GLU  98           HG2      GLU  98 -12.603   6.637  -3.204
  753   2HG   GLU  98           HG1      GLU  98 -12.742   8.371  -3.482
  754    H    ALA  99           HN       ALA  99  -9.747   6.487  -6.827
  755    HA   ALA  99           HA       ALA  99 -12.110   5.316  -7.980
  756   1HB   ALA  99           HB1      ALA  99  -9.428   6.044  -9.180
  757   2HB   ALA  99           HB3      ALA  99 -10.790   5.458 -10.138
  758   3HB   ALA  99           HB2      ALA  99 -10.923   6.978  -9.251
  759    H    THR 100           HN       THR 100  -8.789   4.056  -7.616
  760    HA   THR 100           HA       THR 100  -9.325   1.620  -9.026
  761    HB   THR 100           HB       THR 100  -7.266   2.064  -6.845
  762    HG1  THR 100           HG1      THR 100  -7.019   2.397  -9.648
  763   1HG2  THR 100          HG22      THR 100  -7.576   0.084  -9.111
  764   2HG2  THR 100          HG21      THR 100  -6.040   0.359  -8.294
  765   3HG2  THR 100          HG23      THR 100  -7.422  -0.259  -7.388
  766    H    ILE 101           HN       ILE 101  -9.569   2.470  -5.589
  767    HA   ILE 101           HA       ILE 101 -10.181  -0.165  -4.610
  768    HB   ILE 101           HB       ILE 101 -10.965   2.606  -3.639
  769   1HG1  ILE 101          HG12      ILE 101  -9.045   0.638  -2.372
  770   2HG1  ILE 101          HG11      ILE 101  -8.513   1.752  -3.630
  771   1HG2  ILE 101          HG23      ILE 101 -11.462  -0.121  -2.415
  772   2HG2  ILE 101          HG22      ILE 101 -11.457   1.361  -1.460
  773   3HG2  ILE 101          HG21      ILE 101 -12.640   1.147  -2.750
  774   1HD1  ILE 101          HD12      ILE 101  -9.409   3.645  -2.247
  775   2HD1  ILE 101          HD11      ILE 101  -9.756   2.485  -0.966
  776   3HD1  ILE 101          HD13      ILE 101  -8.091   2.774  -1.468
  777    H    ASN 102           HN       ASN 102 -12.264   2.542  -5.627
  778    HA   ASN 102           HA       ASN 102 -14.743   1.168  -5.385
  779   1HB   ASN 102           HB2      ASN 102 -14.512   3.636  -5.715
  780   2HB   ASN 102           HB1      ASN 102 -14.006   3.337  -7.379
  781   1HD2  ASN 102          HD22      ASN 102 -17.910   3.516  -6.590
  782   2HD2  ASN 102          HD21      ASN 102 -16.701   4.105  -5.555
  783    H    GLU 103           HN       GLU 103 -12.325   1.291  -7.922
  784    HA   GLU 103           HA       GLU 103 -13.848  -0.012  -9.971
  785   1HB   GLU 103           HB2      GLU 103 -11.695   1.300 -10.242
  786   2HB   GLU 103           HB1      GLU 103 -10.851  -0.089  -9.567
  787   1HG   GLU 103           HG2      GLU 103 -11.806  -1.524 -11.366
  788   2HG   GLU 103           HG1      GLU 103 -12.539  -0.090 -12.086
  789    H    LEU 104           HN       LEU 104 -11.642  -1.240  -7.452
  790    HA   LEU 104           HA       LEU 104 -12.184  -4.030  -8.336
  791   1HB   LEU 104           HB2      LEU 104 -10.213  -2.932  -6.322
  792   2HB   LEU 104           HB1      LEU 104 -10.329  -4.619  -6.804
  793    HG   LEU 104           HG       LEU 104  -9.716  -2.300  -8.661
  794   1HD1  LEU 104          HD13      LEU 104  -7.968  -4.392  -7.348
  795   2HD1  LEU 104          HD12      LEU 104  -7.447  -3.449  -8.746
  796   3HD1  LEU 104          HD11      LEU 104  -7.829  -2.637  -7.226
  797   1HD2  LEU 104          HD21      LEU 104 -10.082  -5.269  -9.063
  798   2HD2  LEU 104          HD23      LEU 104 -10.674  -3.935 -10.054
  799   3HD2  LEU 104          HD22      LEU 104  -8.973  -4.382 -10.107
  800    H    VAL 105           HN       VAL 105 -13.584  -1.884  -6.169
  801    HA   VAL 105           HA       VAL 105 -13.890  -3.582  -3.858
  802    HB   VAL 105           HB       VAL 105 -14.410  -1.074  -3.998
  803   1HG1  VAL 105          HG12      VAL 105 -15.957  -1.545  -6.070
  804   2HG1  VAL 105          HG11      VAL 105 -17.171  -1.920  -4.853
  805   3HG1  VAL 105          HG13      VAL 105 -16.436  -0.318  -4.899
  806   1HG2  VAL 105          HG21      VAL 105 -16.380  -3.024  -2.776
  807   2HG2  VAL 105          HG23      VAL 105 -14.962  -2.313  -2.004
  808   3HG2  VAL 105          HG22      VAL 105 -16.349  -1.302  -2.398
  809    HA   PRO  59           HA       PRO 106  14.633  16.127 -13.273
  810   1HB   PRO  59           HB2      PRO 106  16.974  15.282 -12.017
  811   2HB   PRO  59           HB1      PRO 106  16.914  15.997 -13.641
  812   1HG   PRO  59           HG2      PRO 106  17.554  17.304 -11.030
  813   2HG   PRO  59           HG1      PRO 106  18.345  17.494 -12.606
  814   1HD   PRO  59           HD2      PRO 106  16.620  19.343 -11.701
  815   2HD   PRO  59           HD1      PRO 106  16.663  18.905 -13.424
  816    H    ALA  60           HN       ALA 107  14.940  17.457 -10.064
  817    HA   ALA  60           HA       ALA 107  14.221  14.868  -8.781
  818   1HB   ALA  60           HB1      ALA 107  14.983  17.588  -7.682
  819   2HB   ALA  60           HB3      ALA 107  14.430  16.260  -6.661
  820   3HB   ALA  60           HB2      ALA 107  15.915  16.093  -7.596
  821    H    THR  61           HN       THR 108  12.091  14.394  -8.543
  822    HA   THR  61           HA       THR 108  10.096  16.633  -8.575
  823    HB   THR  61           HB       THR 108   9.593  13.659  -8.902
  824    HG1  THR  61           HG1      THR 108  10.955  14.924 -10.514
  825   1HG2  THR  61          HG21      THR 108   7.710  15.269  -8.214
  826   2HG2  THR  61          HG23      THR 108   7.900  15.989  -9.812
  827   3HG2  THR  61          HG22      THR 108   7.431  14.297  -9.654
  828    H    LEU  62           HN       LEU 109   9.088  17.132  -6.704
  829    HA   LEU  62           HA       LEU 109   9.659  15.765  -4.234
  830   1HB   LEU  62           HB2      LEU 109   7.585  17.835  -4.995
  831   2HB   LEU  62           HB1      LEU 109   7.801  17.255  -3.346
  832    HG   LEU  62           HG       LEU 109  10.052  18.452  -4.986
  833   1HD1  LEU  62          HD11      LEU 109   8.011  19.759  -3.186
  834   2HD1  LEU  62          HD13      LEU 109   9.602  20.477  -3.434
  835   3HD1  LEU  62          HD12      LEU 109   8.516  20.242  -4.803
  836   1HD2  LEU  62          HD23      LEU 109   9.683  17.670  -2.088
  837   2HD2  LEU  62          HD22      LEU 109  11.011  17.271  -3.176
  838   3HD2  LEU  62          HD21      LEU 109  10.860  18.902  -2.539
  839    H    LYS  63           HN       LYS 110   7.041  15.607  -6.573
  840    HA   LYS  63           HA       LYS 110   5.129  14.203  -4.996
  841   1HB   LYS  63           HB2      LYS 110   5.639  13.952  -7.980
  842   2HB   LYS  63           HB1      LYS 110   4.162  13.481  -7.142
  843   1HG   LYS  63           HG2      LYS 110   5.273  16.293  -7.386
  844   2HG   LYS  63           HG1      LYS 110   3.843  15.658  -8.194
  845   1HD   LYS  63           HD2      LYS 110   3.015  15.140  -5.757
  846   2HD   LYS  63           HD1      LYS 110   4.232  16.323  -5.282
  847   1HE   LYS  63           HE2      LYS 110   3.207  17.994  -6.770
  848   2HE   LYS  63           HE1      LYS 110   2.001  16.810  -7.278
  849   1HZ   LYS  63           HZ3      LYS 110   2.400  17.610  -4.452
  850   2HZ   LYS  63           HZ2      LYS 110   1.279  18.367  -5.481
  851   3HZ   LYS  63           HZ1      LYS 110   1.113  16.718  -5.106
  852    H    ILE  64           HN       ILE 111   8.123  13.191  -6.368
  853    HA   ILE  64           HA       ILE 111   7.553  10.341  -5.577
  854    HB   ILE  64           HB       ILE 111   9.047  11.368  -8.019
  855   1HG1  ILE  64          HG12      ILE 111   6.616  11.316  -8.309
  856   2HG1  ILE  64          HG11      ILE 111   7.370  10.053  -9.272
  857   1HG2  ILE  64          HG22      ILE 111   8.814   8.561  -6.910
  858   2HG2  ILE  64          HG21      ILE 111   9.339   8.929  -8.551
  859   3HG2  ILE  64          HG23      ILE 111  10.294   9.484  -7.179
  860   1HD1  ILE  64          HD11      ILE 111   6.896   8.638  -7.008
  861   2HD1  ILE  64          HD13      ILE 111   5.600   9.824  -6.896
  862   3HD1  ILE  64          HD12      ILE 111   5.719   8.781  -8.307
  863    H    CYS  65           HN       CYS 112   9.286   9.328  -4.470
  864    HA   CYS  65           HA       CYS 112  11.629  11.066  -3.825
  865   1HB   CYS  65           HB2      CYS 112  10.949   8.430  -2.492
  866   2HB   CYS  65           HB1      CYS 112  12.014   9.696  -1.899
  867    H    SER  66           HN       SER 113  13.530  10.582  -4.873
  868    HA   SER  66           HA       SER 113  13.618   8.300  -6.692
  869   1HB   SER  66           HB2      SER 113  15.742  10.326  -5.928
  870   2HB   SER  66           HB1      SER 113  15.893   9.151  -7.233
  871    HG   SER  66           HG       SER 113  13.561  10.387  -7.493
  872    H    TRP  67           HN       TRP 114  14.799   6.397  -6.462
  873    HA   TRP  67           HA       TRP 114  15.526   5.606  -3.756
  874   1HB   TRP  67           HB2      TRP 114  15.805   4.212  -6.438
  875   2HB   TRP  67           HB1      TRP 114  16.290   3.475  -4.910
  876    HD1  TRP  67           HD1      TRP 114  13.152   5.413  -6.089
  877    HE1  TRP  67           HE1      TRP 114  11.074   4.151  -5.256
  878    HE3  TRP  67           HE3      TRP 114  15.366   1.468  -3.726
  879    HZ2  TRP  67           HZ2      TRP 114  10.448   1.818  -3.758
  880    HZ3  TRP  67           HZ3      TRP 114  14.006  -0.255  -2.607
  881    HH2  TRP  67           HH2      TRP 114  11.540  -0.093  -2.631
  882    H    ASN  68           HN       ASN 115  17.126   7.286  -6.198
  883    HA   ASN  68           HA       ASN 115  19.782   6.377  -6.137
  884   1HB   ASN  68           HB2      ASN 115  18.694   9.214  -6.188
  885   2HB   ASN  68           HB1      ASN 115  20.390   8.811  -6.472
  886   1HD2  ASN  68          HD22      ASN 115  18.429   6.725  -9.260
  887   2HD2  ASN  68          HD21      ASN 115  18.526   6.257  -7.630
  888    H    VAL  69           HN       VAL 116  17.877   7.527  -3.560
  889    HA   VAL  69           HA       VAL 116  19.874   8.793  -1.941
  890    HB   VAL  69           HB       VAL 116  18.323   8.136  -0.038
  891   1HG1  VAL  69          HG12      VAL 116  18.110  10.236  -1.367
  892   2HG1  VAL  69          HG11      VAL 116  17.027   9.396  -2.476
  893   3HG1  VAL  69          HG13      VAL 116  16.553   9.639  -0.795
  894   1HG2  VAL  69          HG23      VAL 116  17.552   6.028  -1.279
  895   2HG2  VAL  69          HG22      VAL 116  16.272   6.995  -0.554
  896   3HG2  VAL  69          HG21      VAL 116  16.572   7.092  -2.284
  897    H    ASP  70           HN       ASP 117  21.314   7.924  -0.421
  898    HA   ASP  70           HA       ASP 117  22.387   5.340  -0.922
  899   1HB   ASP  70           HB2      ASP 117  22.612   7.146   1.505
  900   2HB   ASP  70           HB1      ASP 117  23.540   5.658   1.309
  901    H    GLY  71           HN       GLY 118  20.005   6.468   1.439
  902   1HA   GLY  71           HA2      GLY 118  19.854   3.986   2.893
  903   2HA   GLY  71           HA1      GLY 118  18.635   5.263   2.916
   
  No H/Q in entry =         903
  Start of MODEL   25
    1   1H    MET   1           HT1      MET   1  -8.702  -2.239   8.869
    2   2H    MET   1           HT3      MET   1  -9.472  -2.712  10.305
    3   3H    MET   1           HT2      MET   1  -9.714  -1.148   9.684
    4    HA   MET   1           HA       MET   1  -8.052  -0.419  10.923
    5   1HB   MET   1           HB2      MET   1  -6.890  -1.908  12.458
    6   2HB   MET   1           HB1      MET   1  -8.576  -2.410  12.360
    7   1HG   MET   1           HG2      MET   1  -7.953  -4.146  10.702
    8   2HG   MET   1           HG1      MET   1  -6.260  -3.679  10.856
    9   1HE   MET   1           HE3      MET   1  -7.093  -6.305  10.929
   10   2HE   MET   1           HE2      MET   1  -5.632  -6.535  11.892
   11   3HE   MET   1           HE1      MET   1  -7.170  -7.182  12.460
   12    H    VAL   2           HN       VAL   2  -5.567  -0.380  11.042
   13    HA   VAL   2           HA       VAL   2  -4.506  -0.935   8.302
   14    HB   VAL   2           HB       VAL   2  -3.471   0.806  10.559
   15   1HG1  VAL   2          HG13      VAL   2  -2.435   0.316   7.753
   16   2HG1  VAL   2          HG12      VAL   2  -1.917   1.656   8.773
   17   3HG1  VAL   2          HG11      VAL   2  -1.584  -0.003   9.266
   18   1HG2  VAL   2          HG23      VAL   2  -5.511   1.629   9.438
   19   2HG2  VAL   2          HG22      VAL   2  -4.119   2.640   9.045
   20   3HG2  VAL   2          HG21      VAL   2  -4.713   1.461   7.877
   21    H    LYS   3           HN       LYS   3  -2.544  -2.086   8.007
   22    HA   LYS   3           HA       LYS   3  -1.451  -3.555  10.390
   23   1HB   LYS   3           HB2      LYS   3  -2.943  -5.002   8.951
   24   2HB   LYS   3           HB1      LYS   3  -1.880  -4.664   7.591
   25   1HG   LYS   3           HG2      LYS   3  -1.011  -6.691   8.345
   26   2HG   LYS   3           HG1      LYS   3   0.010  -5.549   9.203
   27   1HD   LYS   3           HD2      LYS   3  -1.477  -5.729  11.183
   28   2HD   LYS   3           HD1      LYS   3  -2.447  -6.923  10.318
   29   1HE   LYS   3           HE2      LYS   3   0.505  -7.190  10.962
   30   2HE   LYS   3           HE1      LYS   3  -0.805  -8.013  11.816
   31   1HZ   LYS   3           HZ2      LYS   3  -1.448  -8.948   9.588
   32   2HZ   LYS   3           HZ1      LYS   3   0.019  -8.346   8.990
   33   3HZ   LYS   3           HZ3      LYS   3   0.030  -9.523  10.216
   34    H    GLN   4           HN       GLN   4   0.777  -3.300  10.502
   35    HA   GLN   4           HA       GLN   4   2.154  -2.106   8.133
   36   1HB   GLN   4           HB2      GLN   4   2.433  -0.981  10.325
   37   2HB   GLN   4           HB1      GLN   4   3.127  -2.464  10.983
   38   1HG   GLN   4           HG2      GLN   4   4.967  -2.363   9.369
   39   2HG   GLN   4           HG1      GLN   4   4.278  -0.907   8.638
   40   1HE2  GLN   4          HE22      GLN   4   6.200   1.007  10.916
   41   2HE2  GLN   4          HE21      GLN   4   5.827   0.681   9.292
   42    H    ILE   5           HN       ILE   5   3.362  -3.422   6.881
   43    HA   ILE   5           HA       ILE   5   4.088  -6.144   7.892
   44    HB   ILE   5           HB       ILE   5   4.188  -5.074   5.068
   45   1HG1  ILE   5          HG12      ILE   5   1.887  -4.893   5.808
   46   2HG1  ILE   5          HG11      ILE   5   2.022  -6.321   4.784
   47   1HG2  ILE   5          HG22      ILE   5   4.222  -7.844   6.273
   48   2HG2  ILE   5          HG21      ILE   5   4.034  -7.506   4.562
   49   3HG2  ILE   5          HG23      ILE   5   5.524  -7.058   5.370
   50   1HD1  ILE   5          HD13      ILE   5   2.438  -7.606   7.020
   51   2HD1  ILE   5          HD12      ILE   5   1.739  -6.173   7.778
   52   3HD1  ILE   5          HD11      ILE   5   0.795  -7.118   6.626
   53    H    GLU   6           HN       GLU   6   6.154  -6.150   8.720
   54    HA   GLU   6           HA       GLU   6   8.158  -4.279   7.561
   55   1HB   GLU   6           HB2      GLU   6   8.293  -6.022  10.037
   56   2HB   GLU   6           HB1      GLU   6   9.514  -4.856   9.534
   57   1HG   GLU   6           HG2      GLU   6   6.631  -4.124  10.086
   58   2HG   GLU   6           HG1      GLU   6   7.925  -3.997  11.279
   59    H    SER   7           HN       SER   7   7.127  -7.367   6.963
   60    HA   SER   7           HA       SER   7   9.726  -8.059   5.698
   61   1HB   SER   7           HB2      SER   7   9.738 -10.309   6.712
   62   2HB   SER   7           HB1      SER   7   9.856  -9.046   7.944
   63    HG   SER   7           HG       SER   7   8.286 -10.562   8.533
   64    H    LYS   8           HN       LYS   8   9.529  -9.725   4.076
   65    HA   LYS   8           HA       LYS   8   7.038  -9.750   2.628
   66   1HB   LYS   8           HB2      LYS   8   9.392 -10.153   1.703
   67   2HB   LYS   8           HB1      LYS   8   9.267 -11.768   2.390
   68   1HG   LYS   8           HG2      LYS   8   7.224 -12.185   1.050
   69   2HG   LYS   8           HG1      LYS   8   7.362 -10.564   0.364
   70   1HD   LYS   8           HD2      LYS   8   8.297 -12.284  -1.162
   71   2HD   LYS   8           HD1      LYS   8   9.523 -11.132  -0.637
   72   1HE   LYS   8           HE2      LYS   8  10.033 -13.726  -0.590
   73   2HE   LYS   8           HE1      LYS   8  10.605 -12.688   0.718
   74   1HZ   LYS   8           HZ3      LYS   8   7.941 -13.924   0.908
   75   2HZ   LYS   8           HZ2      LYS   8   9.316 -14.867   1.236
   76   3HZ   LYS   8           HZ1      LYS   8   9.004 -13.471   2.150
   77    H    THR   9           HN       THR   9   8.501 -11.861   5.040
   78    HA   THR   9           HA       THR   9   6.870 -14.157   4.701
   79    HB   THR   9           HB       THR   9   7.907 -12.986   7.294
   80    HG1  THR   9           HG1      THR   9   9.648 -13.389   6.087
   81   1HG2  THR   9          HG21      THR   9   6.895 -15.737   6.547
   82   2HG2  THR   9          HG23      THR   9   7.823 -15.412   8.013
   83   3HG2  THR   9          HG22      THR   9   6.248 -14.655   7.778
   84    H    ALA  10           HN       ALA  10   6.320 -11.317   6.785
   85    HA   ALA  10           HA       ALA  10   3.697 -12.209   7.574
   86   1HB   ALA  10           HB3      ALA  10   5.139  -9.563   7.719
   87   2HB   ALA  10           HB2      ALA  10   3.453  -9.706   8.209
   88   3HB   ALA  10           HB1      ALA  10   4.698 -10.642   9.041
   89    H    PHE  11           HN       PHE  11   4.965 -10.379   4.868
   90    HA   PHE  11           HA       PHE  11   2.552  -9.169   3.942
   91   1HB   PHE  11           HB2      PHE  11   4.904  -8.826   3.004
   92   2HB   PHE  11           HB1      PHE  11   4.729 -10.368   2.197
   93    HD1  PHE  11           HD1      PHE  11   2.750  -7.210   2.664
   94    HD2  PHE  11           HD2      PHE  11   3.974 -10.341  -0.010
   95    HE1  PHE  11           HE1      PHE  11   1.521  -6.112   0.815
   96    HE2  PHE  11           HE2      PHE  11   2.742  -9.246  -1.848
   97    HZ   PHE  11           HZ       PHE  11   1.514  -7.139  -1.436
   98    H    GLN  12           HN       GLN  12   3.953 -12.358   3.285
   99    HA   GLN  12           HA       GLN  12   1.908 -13.248   1.479
  100   1HB   GLN  12           HB2      GLN  12   3.714 -14.793   3.385
  101   2HB   GLN  12           HB1      GLN  12   2.783 -15.516   2.072
  102   1HG   GLN  12           HG2      GLN  12   4.879 -13.354   1.712
  103   2HG   GLN  12           HG1      GLN  12   5.155 -15.073   1.433
  104   1HE2  GLN  12          HE22      GLN  12   2.992 -15.142  -1.493
  105   2HE2  GLN  12          HE21      GLN  12   3.373 -16.077  -0.128
  106    H    GLU  13           HN       GLU  13   2.327 -13.550   4.996
  107    HA   GLU  13           HA       GLU  13  -0.048 -15.081   5.491
  108   1HB   GLU  13           HB2      GLU  13   1.735 -13.348   7.193
  109   2HB   GLU  13           HB1      GLU  13   0.255 -14.007   7.868
  110   1HG   GLU  13           HG2      GLU  13   2.180 -15.490   8.324
  111   2HG   GLU  13           HG1      GLU  13   0.992 -16.288   7.296
  112    H    ALA  14           HN       ALA  14   0.552 -11.595   5.334
  113    HA   ALA  14           HA       ALA  14  -2.034 -10.832   6.328
  114   1HB   ALA  14           HB3      ALA  14   0.050  -9.353   6.076
  115   2HB   ALA  14           HB2      ALA  14  -0.388  -9.218   4.371
  116   3HB   ALA  14           HB1      ALA  14  -1.491  -8.630   5.617
  117    H    LEU  15           HN       LEU  15  -0.763 -11.428   3.059
  118    HA   LEU  15           HA       LEU  15  -3.101 -10.649   1.633
  119   1HB   LEU  15           HB2      LEU  15  -0.995 -12.731   1.028
  120   2HB   LEU  15           HB1      LEU  15  -2.254 -12.278  -0.111
  121    HG   LEU  15           HG       LEU  15  -0.339 -10.298   1.135
  122   1HD1  LEU  15          HD11      LEU  15  -0.115 -11.971  -1.362
  123   2HD1  LEU  15          HD13      LEU  15   0.635 -10.376  -1.298
  124   3HD1  LEU  15          HD12      LEU  15   1.111 -11.620  -0.143
  125   1HD2  LEU  15          HD21      LEU  15  -2.489 -10.153  -0.969
  126   2HD2  LEU  15          HD23      LEU  15  -2.112  -9.017   0.323
  127   3HD2  LEU  15          HD22      LEU  15  -1.091  -9.088  -1.106
  128    H    ASP  16           HN       ASP  16  -2.154 -13.703   3.153
  129    HA   ASP  16           HA       ASP  16  -4.433 -15.197   2.236
  130   1HB   ASP  16           HB2      ASP  16  -2.253 -16.148   3.149
  131   2HB   ASP  16           HB1      ASP  16  -2.837 -15.718   4.760
  132    H    ALA  17           HN       ALA  17  -3.801 -13.253   5.123
  133    HA   ALA  17           HA       ALA  17  -6.170 -14.050   6.554
  134   1HB   ALA  17           HB1      ALA  17  -4.050 -12.865   7.442
  135   2HB   ALA  17           HB3      ALA  17  -4.816 -11.377   6.890
  136   3HB   ALA  17           HB2      ALA  17  -5.607 -12.375   8.112
  137    H    ALA  18           HN       ALA  18  -5.507 -11.449   4.251
  138    HA   ALA  18           HA       ALA  18  -7.931  -9.992   4.654
  139   1HB   ALA  18           HB1      ALA  18  -6.031  -9.120   3.332
  140   2HB   ALA  18           HB3      ALA  18  -6.337 -10.341   2.098
  141   3HB   ALA  18           HB2      ALA  18  -7.531  -9.078   2.405
  142    H    GLY  19           HN       GLY  19  -7.188 -12.895   2.843
  143   1HA   GLY  19           HA2      GLY  19  -8.623 -14.468   1.862
  144   2HA   GLY  19           HA1      GLY  19  -9.955 -13.673   2.705
  145    H    ASP  20           HN       ASP  20 -11.460 -13.030   1.253
  146    HA   ASP  20           HA       ASP  20 -10.651 -12.316  -1.502
  147   1HB   ASP  20           HB2      ASP  20 -13.376 -12.625  -0.218
  148   2HB   ASP  20           HB1      ASP  20 -13.095 -12.285  -1.926
  149    H    LYS  21           HN       LYS  21 -10.735 -10.590   1.282
  150    HA   LYS  21           HA       LYS  21 -12.293  -8.271   0.454
  151   1HB   LYS  21           HB2      LYS  21 -10.161  -8.655   2.580
  152   2HB   LYS  21           HB1      LYS  21 -11.028  -7.140   2.340
  153   1HG   LYS  21           HG2      LYS  21 -13.181  -8.551   2.593
  154   2HG   LYS  21           HG1      LYS  21 -12.126  -9.806   3.247
  155   1HD   LYS  21           HD2      LYS  21 -11.224  -7.943   4.816
  156   2HD   LYS  21           HD1      LYS  21 -12.667  -7.045   4.348
  157   1HE   LYS  21           HE2      LYS  21 -14.048  -9.017   5.064
  158   2HE   LYS  21           HE1      LYS  21 -12.572  -9.766   5.675
  159   1HZ   LYS  21           HZ3      LYS  21 -13.253  -7.034   6.507
  160   2HZ   LYS  21           HZ2      LYS  21 -14.051  -8.343   7.235
  161   3HZ   LYS  21           HZ1      LYS  21 -12.360  -8.218   7.330
  162    H    LEU  22           HN       LEU  22 -11.431  -6.257  -0.394
  163    HA   LEU  22           HA       LEU  22  -9.284  -6.526  -2.236
  164   1HB   LEU  22           HB2      LEU  22 -11.228  -4.622  -1.741
  165   2HB   LEU  22           HB1      LEU  22  -9.793  -3.796  -1.168
  166    HG   LEU  22           HG       LEU  22 -10.218  -4.939  -3.929
  167   1HD1  LEU  22          HD11      LEU  22 -10.551  -2.252  -2.712
  168   2HD1  LEU  22          HD13      LEU  22  -9.608  -2.252  -4.203
  169   3HD1  LEU  22          HD12      LEU  22 -11.237  -2.914  -4.190
  170   1HD2  LEU  22          HD21      LEU  22  -7.779  -3.759  -2.595
  171   2HD2  LEU  22          HD23      LEU  22  -7.903  -5.234  -3.559
  172   3HD2  LEU  22          HD22      LEU  22  -7.994  -3.662  -4.339
  173    H    VAL  23           HN       VAL  23  -7.105  -5.431  -2.025
  174    HA   VAL  23           HA       VAL  23  -6.220  -4.917   0.747
  175    HB   VAL  23           HB       VAL  23  -5.014  -7.038  -1.061
  176   1HG1  VAL  23          HG12      VAL  23  -4.025  -5.683   1.447
  177   2HG1  VAL  23          HG11      VAL  23  -3.541  -7.337   1.078
  178   3HG1  VAL  23          HG13      VAL  23  -3.150  -6.036  -0.043
  179   1HG2  VAL  23          HG21      VAL  23  -6.571  -7.105   1.525
  180   2HG2  VAL  23          HG23      VAL  23  -6.831  -8.045   0.055
  181   3HG2  VAL  23          HG22      VAL  23  -5.460  -8.408   1.100
  182    H    VAL  24           HN       VAL  24  -5.348  -2.912   0.466
  183    HA   VAL  24           HA       VAL  24  -3.807  -2.368  -2.034
  184    HB   VAL  24           HB       VAL  24  -4.723  -0.418   0.109
  185   1HG1  VAL  24          HG12      VAL  24  -2.757   0.260  -1.297
  186   2HG1  VAL  24          HG11      VAL  24  -3.751   0.023  -2.734
  187   3HG1  VAL  24          HG13      VAL  24  -4.173   1.276  -1.567
  188   1HG2  VAL  24          HG22      VAL  24  -5.971  -1.305  -2.502
  189   2HG2  VAL  24          HG21      VAL  24  -6.707  -1.282  -0.900
  190   3HG2  VAL  24          HG23      VAL  24  -6.376   0.232  -1.738
  191    H    VAL  25           HN       VAL  25  -1.606  -1.762  -1.893
  192    HA   VAL  25           HA       VAL  25  -0.345  -1.961   0.833
  193    HB   VAL  25           HB       VAL  25   0.847  -2.970  -1.764
  194   1HG1  VAL  25          HG11      VAL  25   2.387  -2.262   0.128
  195   2HG1  VAL  25          HG13      VAL  25   1.661  -3.551   1.090
  196   3HG1  VAL  25          HG12      VAL  25   2.546  -3.940  -0.385
  197   1HG2  VAL  25          HG22      VAL  25  -1.207  -4.246  -0.960
  198   2HG2  VAL  25          HG21      VAL  25   0.273  -5.195  -1.068
  199   3HG2  VAL  25          HG23      VAL  25  -0.293  -4.624   0.500
  200    H    ASP  26           HN       ASP  26   0.681  -0.097   1.336
  201    HA   ASP  26           HA       ASP  26   1.474   1.756  -0.880
  202   1HB   ASP  26           HB2      ASP  26   0.062   2.651   0.972
  203   2HB   ASP  26           HB1      ASP  26   1.340   2.250   2.118
  204    H    PHE  27           HN       PHE  27   3.574   1.707  -1.494
  205    HA   PHE  27           HA       PHE  27   5.641   0.600   0.344
  206   1HB   PHE  27           HB2      PHE  27   5.617   1.207  -2.620
  207   2HB   PHE  27           HB1      PHE  27   7.105   0.816  -1.753
  208    HD1  PHE  27           HD1      PHE  27   7.311  -1.391  -0.571
  209    HD2  PHE  27           HD2      PHE  27   4.036  -0.491  -3.202
  210    HE1  PHE  27           HE1      PHE  27   6.800  -3.812  -0.760
  211    HE2  PHE  27           HE2      PHE  27   3.525  -2.911  -3.379
  212    HZ   PHE  27           HZ       PHE  27   4.904  -4.570  -2.161
  213    H    SER  28           HN       SER  28   4.365   3.393   0.482
  214    HA   SER  28           HA       SER  28   6.209   5.348  -0.364
  215   1HB   SER  28           HB2      SER  28   4.563   5.372   2.180
  216   2HB   SER  28           HB1      SER  28   5.310   6.775   1.427
  217    HG   SER  28           HG       SER  28   3.812   5.293  -0.309
  218    H    ALA  29           HN       ALA  29   7.977   6.342   0.603
  219    HA   ALA  29           HA       ALA  29   9.515   4.608   2.428
  220   1HB   ALA  29           HB3      ALA  29  10.119   7.045   0.761
  221   2HB   ALA  29           HB2      ALA  29  11.215   6.599   2.070
  222   3HB   ALA  29           HB1      ALA  29  10.909   5.471   0.747
  223    H    THR  30           HN       THR  30   9.538   4.947   4.607
  224    HA   THR  30           HA       THR  30   7.939   7.042   5.755
  225    HB   THR  30           HB       THR  30   8.327   4.922   6.946
  226    HG1  THR  30           HG1      THR  30   8.974   5.886   8.957
  227   1HG2  THR  30          HG22      THR  30  10.657   4.569   6.151
  228   2HG2  THR  30          HG21      THR  30  11.193   5.875   7.208
  229   3HG2  THR  30          HG23      THR  30  10.517   4.403   7.902
  230    H    TRP  31           HN       TRP  31  11.361   6.742   4.962
  231    HA   TRP  31           HA       TRP  31  12.128   9.090   6.521
  232   1HB   TRP  31           HB2      TRP  31  14.260   8.934   5.318
  233   2HB   TRP  31           HB1      TRP  31  13.770   7.349   5.917
  234    HD1  TRP  31           HD1      TRP  31  13.310   5.503   4.200
  235    HE1  TRP  31           HE1      TRP  31  13.533   5.329   1.633
  236    HE3  TRP  31           HE3      TRP  31  13.902  10.420   3.065
  237    HZ2  TRP  31           HZ2      TRP  31  13.873   7.088  -0.611
  238    HZ3  TRP  31           HZ3      TRP  31  14.142  11.159   0.721
  239    HH2  TRP  31           HH2      TRP  31  14.132   9.500  -1.117
  240    H    CYS  32           HN       CYS  32  10.640   8.617   3.427
  241    HA   CYS  32           HA       CYS  32  11.530  11.219   2.371
  242   1HB   CYS  32           HB2      CYS  32  11.040   9.204   0.905
  243   2HB   CYS  32           HB1      CYS  32   9.343   9.392   1.317
  244    H    GLY  33           HN       GLY  33  10.599  13.073   2.974
  245   1HA   GLY  33           HA2      GLY  33   8.419  13.230   4.789
  246   2HA   GLY  33           HA1      GLY  33   9.086  14.588   3.896
  247    HA   PRO  34           HA       PRO  34   5.611  14.808   1.210
  248   1HB   PRO  34           HB2      PRO  34   6.478  13.873  -1.330
  249   2HB   PRO  34           HB1      PRO  34   6.542  15.537  -0.736
  250   1HG   PRO  34           HG2      PRO  34   8.735  13.587  -1.038
  251   2HG   PRO  34           HG1      PRO  34   8.816  15.346  -0.886
  252   1HD   PRO  34           HD2      PRO  34   9.512  13.500   1.116
  253   2HD   PRO  34           HD1      PRO  34   9.201  15.230   1.387
  254    H    ALA  35           HN       ALA  35   7.257  11.689   0.948
  255    HA   ALA  35           HA       ALA  35   4.891  10.304  -0.037
  256   1HB   ALA  35           HB1      ALA  35   7.459   9.622  -0.098
  257   2HB   ALA  35           HB3      ALA  35   7.077   8.877   1.453
  258   3HB   ALA  35           HB2      ALA  35   6.209   8.383   0.000
  259    H    LYS  36           HN       LYS  36   6.532  10.543   3.135
  260    HA   LYS  36           HA       LYS  36   4.568   9.089   4.623
  261   1HB   LYS  36           HB2      LYS  36   6.862   9.819   5.457
  262   2HB   LYS  36           HB1      LYS  36   6.185  11.435   5.655
  263   1HG   LYS  36           HG2      LYS  36   4.381  10.413   7.101
  264   2HG   LYS  36           HG1      LYS  36   5.278   8.895   7.037
  265   1HD   LYS  36           HD2      LYS  36   7.252  10.015   8.007
  266   2HD   LYS  36           HD1      LYS  36   6.363  11.534   8.070
  267   1HE   LYS  36           HE2      LYS  36   4.702  10.486   9.581
  268   2HE   LYS  36           HE1      LYS  36   5.631   8.988   9.545
  269   1HZ   LYS  36           HZ3      LYS  36   7.548  10.647  10.218
  270   2HZ   LYS  36           HZ2      LYS  36   6.241  11.530  10.849
  271   3HZ   LYS  36           HZ1      LYS  36   6.532   9.940  11.379
  272    H    MET  37           HN       MET  37   4.795  12.375   3.497
  273    HA   MET  37           HA       MET  37   2.787  13.620   5.035
  274   1HB   MET  37           HB2      MET  37   4.391  14.743   3.441
  275   2HB   MET  37           HB1      MET  37   3.387  14.163   2.115
  276   1HG   MET  37           HG2      MET  37   2.668  16.395   2.577
  277   2HG   MET  37           HG1      MET  37   1.427  15.329   3.228
  278   1HE   MET  37           HE3      MET  37   0.891  14.881   5.442
  279   2HE   MET  37           HE2      MET  37   1.203  15.955   6.797
  280   3HE   MET  37           HE1      MET  37   0.344  16.560   5.384
  281    H    ILE  38           HN       ILE  38   2.528  11.412   2.332
  282    HA   ILE  38           HA       ILE  38  -0.315  11.986   1.889
  283    HB   ILE  38           HB       ILE  38   1.454   9.798   0.766
  284   1HG1  ILE  38          HG12      ILE  38   0.545  12.435  -0.435
  285   2HG1  ILE  38          HG11      ILE  38   2.128  12.166   0.281
  286   1HG2  ILE  38          HG23      ILE  38  -1.399  10.638   0.272
  287   2HG2  ILE  38          HG22      ILE  38  -0.447   9.988  -1.061
  288   3HG2  ILE  38          HG21      ILE  38  -0.719   9.014   0.377
  289   1HD1  ILE  38          HD11      ILE  38   1.988  10.061  -1.477
  290   2HD1  ILE  38          HD13      ILE  38   1.082  11.311  -2.332
  291   3HD1  ILE  38          HD12      ILE  38   2.741  11.613  -1.823
  292    H    LYS  39           HN       LYS  39   1.241  10.246   4.281
  293    HA   LYS  39           HA       LYS  39  -0.272   7.849   4.243
  294   1HB   LYS  39           HB2      LYS  39   0.487   7.372   6.401
  295   2HB   LYS  39           HB1      LYS  39   1.778   8.316   5.685
  296   1HG   LYS  39           HG2      LYS  39   1.264  10.225   6.982
  297   2HG   LYS  39           HG1      LYS  39  -0.342   9.640   7.412
  298   1HD   LYS  39           HD2      LYS  39   2.269   8.388   8.308
  299   2HD   LYS  39           HD1      LYS  39   1.278   9.470   9.280
  300   1HE   LYS  39           HE2      LYS  39   0.395   7.488  10.046
  301   2HE   LYS  39           HE1      LYS  39  -0.605   7.628   8.602
  302   1HZ   LYS  39           HZ3      LYS  39   1.804   6.489   7.827
  303   2HZ   LYS  39           HZ2      LYS  39   1.321   5.673   9.238
  304   3HZ   LYS  39           HZ1      LYS  39   0.281   5.744   7.894
  305    HA   PRO  40           HA       PRO  40  -3.435  10.133   7.139
  306   1HB   PRO  40           HB2      PRO  40  -3.893  12.548   5.463
  307   2HB   PRO  40           HB1      PRO  40  -3.768  12.406   7.227
  308   1HG   PRO  40           HG2      PRO  40  -1.812  13.542   5.761
  309   2HG   PRO  40           HG1      PRO  40  -1.458  12.591   7.213
  310   1HD   PRO  40           HD2      PRO  40  -1.173  11.817   4.345
  311   2HD   PRO  40           HD1      PRO  40  -0.133  11.385   5.718
  312    H    PHE  41           HN       PHE  41  -3.575  10.770   3.585
  313    HA   PHE  41           HA       PHE  41  -6.391  10.115   3.469
  314   1HB   PHE  41           HB2      PHE  41  -4.195  10.317   1.387
  315   2HB   PHE  41           HB1      PHE  41  -5.815   9.771   0.965
  316    HD1  PHE  41           HD2      PHE  41  -3.938  12.546   2.571
  317    HD2  PHE  41           HD1      PHE  41  -7.575  11.317   0.652
  318    HE1  PHE  41           HE2      PHE  41  -4.704  14.907   2.510
  319    HE2  PHE  41           HE1      PHE  41  -8.348  13.673   0.595
  320    HZ   PHE  41           HZ       PHE  41  -6.910  15.471   1.524
  321    H    PHE  42           HN       PHE  42  -3.409   8.280   2.784
  322    HA   PHE  42           HA       PHE  42  -4.712   5.839   2.053
  323   1HB   PHE  42           HB2      PHE  42  -2.336   6.278   1.595
  324   2HB   PHE  42           HB1      PHE  42  -1.989   6.309   3.327
  325    HD1  PHE  42           HD1      PHE  42  -3.110   4.136   0.519
  326    HD2  PHE  42           HD2      PHE  42  -1.748   4.303   4.590
  327    HE1  PHE  42           HE1      PHE  42  -2.861   1.673   0.538
  328    HE2  PHE  42           HE2      PHE  42  -1.493   1.833   4.604
  329    HZ   PHE  42           HZ       PHE  42  -2.063   0.519   2.576
  330    H    HIS  43           HN       HIS  43  -3.350   6.866   5.177
  331    HA   HIS  43           HA       HIS  43  -4.276   4.603   6.677
  332   1HB   HIS  43           HB2      HIS  43  -2.401   6.023   7.383
  333   2HB   HIS  43           HB1      HIS  43  -3.488   7.395   7.568
  334    HD1  HIS  43           HD1      HIS  43  -2.399   4.242   9.217
  335    HD2  HIS  43           HD2      HIS  43  -5.254   7.212   9.811
  336    HE1  HIS  43           HE1      HIS  43  -3.373   3.842  11.525
  337    H    SER  44           HN       SER  44  -5.648   7.878   6.231
  338    HA   SER  44           HA       SER  44  -7.794   7.591   8.094
  339   1HB   SER  44           HB2      SER  44  -7.664   9.255   5.569
  340   2HB   SER  44           HB1      SER  44  -8.891   9.416   6.815
  341    HG   SER  44           HG       SER  44  -6.791  10.752   6.834
  342    H    LEU  45           HN       LEU  45  -7.579   6.808   4.640
  343    HA   LEU  45           HA       LEU  45 -10.321   6.209   4.230
  344   1HB   LEU  45           HB2      LEU  45  -7.843   5.142   2.892
  345   2HB   LEU  45           HB1      LEU  45  -9.459   4.727   2.351
  346    HG   LEU  45           HG       LEU  45  -8.632   7.621   2.659
  347   1HD1  LEU  45          HD11      LEU  45  -8.287   5.865   0.208
  348   2HD1  LEU  45          HD13      LEU  45  -8.055   7.613   0.249
  349   3HD1  LEU  45          HD12      LEU  45  -6.979   6.560   1.167
  350   1HD2  LEU  45          HD22      LEU  45 -10.746   6.144   1.067
  351   2HD2  LEU  45          HD21      LEU  45 -10.989   7.329   2.350
  352   3HD2  LEU  45          HD23      LEU  45 -10.346   7.839   0.794
  353    H    SER  46           HN       SER  46  -7.848   4.366   5.843
  354    HA   SER  46           HA       SER  46  -8.850   1.757   5.538
  355   1HB   SER  46           HB2      SER  46  -7.666   2.997   8.042
  356   2HB   SER  46           HB1      SER  46  -7.834   1.272   7.744
  357    HG   SER  46           HG       SER  46  -6.121   3.150   6.573
  358    H    GLU  47           HN       GLU  47  -9.985   4.385   7.612
  359    HA   GLU  47           HA       GLU  47 -12.040   2.626   8.817
  360   1HB   GLU  47           HB2      GLU  47 -11.372   5.581   9.122
  361   2HB   GLU  47           HB1      GLU  47 -12.733   4.809   9.934
  362   1HG   GLU  47           HG2      GLU  47 -10.916   4.782  11.499
  363   2HG   GLU  47           HG1      GLU  47 -11.062   3.137  10.885
  364    H    LYS  48           HN       LYS  48 -11.658   4.579   6.013
  365    HA   LYS  48           HA       LYS  48 -14.504   5.277   5.769
  366   1HB   LYS  48           HB2      LYS  48 -12.707   6.672   4.694
  367   2HB   LYS  48           HB1      LYS  48 -12.364   5.316   3.617
  368   1HG   LYS  48           HG2      LYS  48 -14.735   5.362   2.850
  369   2HG   LYS  48           HG1      LYS  48 -15.007   6.783   3.859
  370   1HD   LYS  48           HD2      LYS  48 -13.238   7.989   2.602
  371   2HD   LYS  48           HD1      LYS  48 -13.031   6.571   1.574
  372   1HE   LYS  48           HE2      LYS  48 -14.503   8.177   0.464
  373   2HE   LYS  48           HE1      LYS  48 -15.411   6.730   0.898
  374   1HZ   LYS  48           HZ2      LYS  48 -15.317   8.865   2.876
  375   2HZ   LYS  48           HZ1      LYS  48 -16.239   9.166   1.482
  376   3HZ   LYS  48           HZ3      LYS  48 -16.596   7.826   2.457
  377    H    TYR  49           HN       TYR  49 -12.231   2.871   4.582
  378    HA   TYR  49           HA       TYR  49 -14.552   1.247   3.560
  379   1HB   TYR  49           HB2      TYR  49 -11.704   1.399   2.489
  380   2HB   TYR  49           HB1      TYR  49 -12.908   0.220   1.964
  381    HD1  TYR  49           HD2      TYR  49 -15.228   1.214   1.204
  382    HD2  TYR  49           HD1      TYR  49 -11.566   3.459   1.364
  383    HE1  TYR  49           HE2      TYR  49 -16.182   2.883  -0.364
  384    HE2  TYR  49           HE1      TYR  49 -12.522   5.126  -0.198
  385    HH   TYR  49           HH       TYR  49 -15.899   5.037  -1.149
  386    H    SER  50           HN       SER  50 -14.401   0.775   5.982
  387    HA   SER  50           HA       SER  50 -12.210  -0.712   7.047
  388   1HB   SER  50           HB2      SER  50 -13.697  -1.233   8.862
  389   2HB   SER  50           HB1      SER  50 -14.068   0.402   8.356
  390    HG   SER  50           HG       SER  50 -15.912  -0.266   7.465
  391    H    ASN  51           HN       ASN  51 -14.439  -1.467   4.643
  392    HA   ASN  51           HA       ASN  51 -14.413  -4.381   5.169
  393   1HB   ASN  51           HB2      ASN  51 -16.446  -3.160   4.221
  394   2HB   ASN  51           HB1      ASN  51 -15.512  -2.946   2.741
  395   1HD2  ASN  51          HD22      ASN  51 -16.269  -6.183   1.605
  396   2HD2  ASN  51          HD21      ASN  51 -15.821  -4.588   1.231
  397    H    VAL  52           HN       VAL  52 -12.206  -2.304   4.166
  398    HA   VAL  52           HA       VAL  52 -11.008  -4.186   2.181
  399    HB   VAL  52           HB       VAL  52 -11.010  -1.154   2.171
  400   1HG1  VAL  52          HG11      VAL  52  -9.128  -3.131   0.904
  401   2HG1  VAL  52          HG13      VAL  52  -9.533  -1.657   0.022
  402   3HG1  VAL  52          HG12      VAL  52  -8.780  -1.560   1.612
  403   1HG2  VAL  52          HG22      VAL  52 -11.893  -3.282   0.191
  404   2HG2  VAL  52          HG21      VAL  52 -12.927  -2.139   1.048
  405   3HG2  VAL  52          HG23      VAL  52 -11.810  -1.563  -0.191
  406    H    ILE  53           HN       ILE  53  -8.785  -4.605   2.559
  407    HA   ILE  53           HA       ILE  53  -7.815  -3.658   5.233
  408    HB   ILE  53           HB       ILE  53  -6.611  -5.787   3.445
  409   1HG1  ILE  53          HG12      ILE  53  -8.888  -6.478   3.860
  410   2HG1  ILE  53          HG11      ILE  53  -7.857  -7.392   4.957
  411   1HG2  ILE  53          HG21      ILE  53  -5.408  -4.673   5.517
  412   2HG2  ILE  53          HG23      ILE  53  -6.491  -5.691   6.458
  413   3HG2  ILE  53          HG22      ILE  53  -5.357  -6.420   5.322
  414   1HD1  ILE  53          HD11      ILE  53  -8.335  -5.489   6.658
  415   2HD1  ILE  53          HD13      ILE  53  -9.666  -5.064   5.584
  416   3HD1  ILE  53          HD12      ILE  53  -9.620  -6.657   6.339
  417    H    PHE  54           HN       PHE  54  -6.297  -2.050   5.282
  418    HA   PHE  54           HA       PHE  54  -4.744  -1.459   2.779
  419   1HB   PHE  54           HB2      PHE  54  -5.261   0.215   5.258
  420   2HB   PHE  54           HB1      PHE  54  -4.207   0.705   3.935
  421    HD1  PHE  54           HD1      PHE  54  -7.709  -0.423   4.642
  422    HD2  PHE  54           HD2      PHE  54  -5.104   1.838   2.083
  423    HE1  PHE  54           HE1      PHE  54  -9.675   0.466   3.420
  424    HE2  PHE  54           HE2      PHE  54  -7.073   2.721   0.856
  425    HZ   PHE  54           HZ       PHE  54  -9.357   2.032   1.530
  426    H    LEU  55           HN       LEU  55  -2.594  -1.982   2.760
  427    HA   LEU  55           HA       LEU  55  -1.239  -2.537   5.381
  428   1HB   LEU  55           HB2      LEU  55  -0.639  -3.635   2.619
  429   2HB   LEU  55           HB1      LEU  55   0.462  -3.801   3.985
  430    HG   LEU  55           HG       LEU  55  -1.135  -5.128   5.205
  431   1HD1  LEU  55          HD13      LEU  55  -3.067  -4.216   3.091
  432   2HD1  LEU  55          HD12      LEU  55  -3.332  -5.758   3.898
  433   3HD1  LEU  55          HD11      LEU  55  -3.260  -4.277   4.842
  434   1HD2  LEU  55          HD22      LEU  55   0.212  -6.167   3.318
  435   2HD2  LEU  55          HD21      LEU  55  -1.222  -7.071   3.808
  436   3HD2  LEU  55          HD23      LEU  55  -1.252  -6.093   2.340
  437    H    GLU  56           HN       GLU  56   0.610  -1.491   5.849
  438    HA   GLU  56           HA       GLU  56   1.547   0.609   3.921
  439   1HB   GLU  56           HB2      GLU  56   0.641   1.383   6.163
  440   2HB   GLU  56           HB1      GLU  56   1.979   0.518   6.924
  441   1HG   GLU  56           HG2      GLU  56   3.550   1.851   5.448
  442   2HG   GLU  56           HG1      GLU  56   2.159   2.825   4.971
  443    H    VAL  57           HN       VAL  57   3.602   0.326   3.154
  444    HA   VAL  57           HA       VAL  57   5.360  -1.672   4.561
  445    HB   VAL  57           HB       VAL  57   5.041  -1.280   1.578
  446   1HG1  VAL  57          HG12      VAL  57   6.565  -3.311   3.231
  447   2HG1  VAL  57          HG11      VAL  57   6.369  -3.372   1.483
  448   3HG1  VAL  57          HG13      VAL  57   7.274  -2.052   2.219
  449   1HG2  VAL  57          HG21      VAL  57   3.963  -3.367   3.488
  450   2HG2  VAL  57          HG23      VAL  57   3.033  -2.272   2.470
  451   3HG2  VAL  57          HG22      VAL  57   3.979  -3.565   1.736
  452    H    ASP  58           HN       ASP  58   7.409  -1.014   4.912
  453    HA   ASP  58           HA       ASP  58   8.269   1.677   3.959
  454   1HB   ASP  58           HB2      ASP  58   8.400   0.947   6.393
  455   2HB   ASP  58           HB1      ASP  58   9.638  -0.205   5.882
  456    H    VAL  59           HN       VAL  59   9.548   1.699   2.102
  457    HA   VAL  59           HA       VAL  59  10.690  -0.752   1.050
  458    HB   VAL  59           HB       VAL  59  11.874   0.740  -0.538
  459   1HG1  VAL  59          HG11      VAL  59   8.973   1.375   0.017
  460   2HG1  VAL  59          HG13      VAL  59   9.809   1.860  -1.456
  461   3HG1  VAL  59          HG12      VAL  59   9.601   0.151  -1.083
  462   1HG2  VAL  59          HG23      VAL  59  10.745   2.929   1.231
  463   2HG2  VAL  59          HG22      VAL  59  12.446   2.585   0.923
  464   3HG2  VAL  59          HG21      VAL  59  11.425   3.207  -0.373
  465    H    ASP  60           HN       ASP  60  11.656   1.493   3.472
  466    HA   ASP  60           HA       ASP  60  14.531   0.791   3.211
  467   1HB   ASP  60           HB2      ASP  60  12.935   2.755   4.837
  468   2HB   ASP  60           HB1      ASP  60  14.594   2.379   5.275
  469    H    ASP  61           HN       ASP  61  11.868   0.328   5.574
  470    HA   ASP  61           HA       ASP  61  13.679  -1.415   7.189
  471   1HB   ASP  61           HB2      ASP  61  10.827  -0.519   7.728
  472   2HB   ASP  61           HB1      ASP  61  11.839  -1.445   8.828
  473    H    ALA  62           HN       ALA  62  11.119  -1.540   4.892
  474    HA   ALA  62           HA       ALA  62  10.899  -4.509   5.232
  475   1HB   ALA  62           HB3      ALA  62   8.816  -2.921   5.582
  476   2HB   ALA  62           HB2      ALA  62   8.794  -2.879   3.819
  477   3HB   ALA  62           HB1      ALA  62   8.631  -4.418   4.668
  478    H    GLN  63           HN       GLN  63  12.963  -3.231   3.806
  479    HA   GLN  63           HA       GLN  63  12.493  -2.845   1.044
  480   1HB   GLN  63           HB2      GLN  63  14.895  -3.128   0.771
  481   2HB   GLN  63           HB1      GLN  63  14.602  -2.248   2.272
  482   1HG   GLN  63           HG2      GLN  63  14.703  -4.488   3.471
  483   2HG   GLN  63           HG1      GLN  63  15.287  -5.182   1.959
  484   1HE2  GLN  63          HE22      GLN  63  18.202  -4.045   4.106
  485   2HE2  GLN  63          HE21      GLN  63  16.860  -5.033   4.429
  486    H    ASP  64           HN       ASP  64  12.636  -5.799   2.895
  487    HA   ASP  64           HA       ASP  64  13.335  -7.551   0.745
  488   1HB   ASP  64           HB2      ASP  64  12.169  -9.307   2.155
  489   2HB   ASP  64           HB1      ASP  64  13.438  -8.412   2.984
  490    H    VAL  65           HN       VAL  65  10.252  -6.186   1.840
  491    HA   VAL  65           HA       VAL  65   8.637  -7.780   0.039
  492    HB   VAL  65           HB       VAL  65   7.923  -5.058   1.169
  493   1HG1  VAL  65          HG12      VAL  65   6.452  -6.178  -0.550
  494   2HG1  VAL  65          HG11      VAL  65   6.209  -7.493   0.601
  495   3HG1  VAL  65          HG13      VAL  65   5.656  -5.863   0.991
  496   1HG2  VAL  65          HG22      VAL  65   8.085  -7.742   2.519
  497   2HG2  VAL  65          HG21      VAL  65   8.589  -6.167   3.119
  498   3HG2  VAL  65          HG23      VAL  65   6.877  -6.572   3.036
  499    H    ALA  66           HN       ALA  66   9.945  -4.480  -0.018
  500    HA   ALA  66           HA       ALA  66   8.799  -3.813  -2.562
  501   1HB   ALA  66           HB3      ALA  66   9.769  -2.283  -0.670
  502   2HB   ALA  66           HB2      ALA  66  11.296  -2.501  -1.526
  503   3HB   ALA  66           HB1      ALA  66   9.910  -1.788  -2.355
  504    H    SER  67           HN       SER  67  11.984  -5.096  -1.613
  505    HA   SER  67           HA       SER  67  13.202  -4.886  -4.187
  506   1HB   SER  67           HB2      SER  67  14.762  -6.600  -3.403
  507   2HB   SER  67           HB1      SER  67  14.440  -5.464  -2.098
  508    HG   SER  67           HG       SER  67  13.695  -8.126  -2.407
  509    H    GLU  68           HN       GLU  68  11.008  -7.263  -2.808
  510    HA   GLU  68           HA       GLU  68  11.279  -9.275  -4.812
  511   1HB   GLU  68           HB2      GLU  68  10.059  -9.574  -2.641
  512   2HB   GLU  68           HB1      GLU  68   8.771  -8.543  -3.266
  513   1HG   GLU  68           HG2      GLU  68   8.569 -10.156  -5.219
  514   2HG   GLU  68           HG1      GLU  68   9.669 -11.224  -4.352
  515    H    ALA  69           HN       ALA  69   9.240  -6.383  -4.614
  516    HA   ALA  69           HA       ALA  69   7.995  -6.986  -7.212
  517   1HB   ALA  69           HB2      ALA  69   7.696  -4.668  -5.292
  518   2HB   ALA  69           HB1      ALA  69   6.784  -4.836  -6.795
  519   3HB   ALA  69           HB3      ALA  69   6.587  -6.023  -5.506
  520    H    GLU  70           HN       GLU  70  10.932  -5.725  -6.406
  521    HA   GLU  70           HA       GLU  70  12.450  -4.330  -7.528
  522   1HB   GLU  70           HB2      GLU  70  10.610  -4.864  -9.883
  523   2HB   GLU  70           HB1      GLU  70  12.239  -4.208  -9.979
  524   1HG   GLU  70           HG2      GLU  70  11.535  -6.920  -8.839
  525   2HG   GLU  70           HG1      GLU  70  12.169  -6.633 -10.458
  526    H    VAL  71           HN       VAL  71  10.656  -2.873  -6.032
  527    HA   VAL  71           HA       VAL  71   9.124  -0.999  -7.566
  528    HB   VAL  71           HB       VAL  71  10.465  -0.493  -4.880
  529   1HG1  VAL  71          HG11      VAL  71   8.138   0.757  -6.369
  530   2HG1  VAL  71          HG13      VAL  71   8.432   1.029  -4.652
  531   3HG1  VAL  71          HG12      VAL  71   9.629   1.540  -5.848
  532   1HG2  VAL  71          HG21      VAL  71   7.890  -1.916  -5.634
  533   2HG2  VAL  71          HG23      VAL  71   9.151  -2.449  -4.523
  534   3HG2  VAL  71          HG22      VAL  71   8.068  -1.137  -4.061
  535    H    LYS  72           HN       LYS  72   9.818   0.723  -8.751
  536    HA   LYS  72           HA       LYS  72  12.732   1.319  -8.721
  537   1HB   LYS  72           HB2      LYS  72  10.601   1.995 -10.762
  538   2HB   LYS  72           HB1      LYS  72  12.324   2.321 -10.936
  539   1HG   LYS  72           HG2      LYS  72  11.328  -0.496 -10.421
  540   2HG   LYS  72           HG1      LYS  72  11.370   0.168 -12.053
  541   1HD   LYS  72           HD2      LYS  72  13.805   0.690 -11.720
  542   2HD   LYS  72           HD1      LYS  72  13.728  -0.146 -10.170
  543   1HE   LYS  72           HE2      LYS  72  12.989  -2.203 -11.309
  544   2HE   LYS  72           HE1      LYS  72  13.080  -1.377 -12.864
  545   1HZ   LYS  72           HZ1      LYS  72  15.503  -0.876 -11.824
  546   2HZ   LYS  72           HZ3      LYS  72  15.200  -2.424 -11.201
  547   3HZ   LYS  72           HZ2      LYS  72  15.162  -2.164 -12.879
  548    H    ALA  73           HN       ALA  73   9.758   2.625  -7.652
  549    HA   ALA  73           HA       ALA  73  11.109   5.064  -6.816
  550   1HB   ALA  73           HB1      ALA  73  10.359   5.342  -9.288
  551   2HB   ALA  73           HB3      ALA  73   8.746   5.532  -8.599
  552   3HB   ALA  73           HB2      ALA  73  10.038   6.644  -8.146
  553    H    THR  74           HN       THR  74   9.818   6.376  -5.362
  554    HA   THR  74           HA       THR  74   7.344   5.014  -4.346
  555    HB   THR  74           HB       THR  74   8.032   5.576  -2.074
  556    HG1  THR  74           HG1      THR  74   9.159   7.555  -3.159
  557   1HG2  THR  74          HG22      THR  74   9.261   3.664  -3.390
  558   2HG2  THR  74          HG21      THR  74  10.650   4.744  -3.265
  559   3HG2  THR  74          HG23      THR  74   9.856   4.162  -1.807
  560    HA   PRO  75           HA       PRO  75   5.901   5.658  -2.637
  561   1HB   PRO  75           HB2      PRO  75   3.284   6.551  -2.727
  562   2HB   PRO  75           HB1      PRO  75   4.481   7.080  -1.536
  563   1HG   PRO  75           HG2      PRO  75   3.391   8.549  -3.870
  564   2HG   PRO  75           HG1      PRO  75   4.101   9.180  -2.377
  565   1HD   PRO  75           HD2      PRO  75   5.374   9.029  -4.924
  566   2HD   PRO  75           HD1      PRO  75   6.165   9.412  -3.369
  567    H    THR  76           HN       THR  76   4.908   3.744  -3.279
  568    HA   THR  76           HA       THR  76   3.586   3.696  -5.969
  569    HB   THR  76           HB       THR  76   5.508   1.608  -4.897
  570    HG1  THR  76           HG1      THR  76   5.791   3.183  -7.205
  571   1HG2  THR  76          HG21      THR  76   3.757   1.769  -7.347
  572   2HG2  THR  76          HG23      THR  76   5.220   0.788  -7.336
  573   3HG2  THR  76          HG22      THR  76   3.916   0.438  -6.202
  574    H    PHE  77           HN       PHE  77   1.659   2.740  -5.928
  575    HA   PHE  77           HA       PHE  77   0.824   1.287  -3.441
  576   1HB   PHE  77           HB2      PHE  77  -0.855   2.695  -5.537
  577   2HB   PHE  77           HB1      PHE  77  -1.470   1.915  -4.078
  578    HD1  PHE  77           HD1      PHE  77  -1.055   2.883  -1.857
  579    HD2  PHE  77           HD2      PHE  77   0.368   4.783  -5.437
  580    HE1  PHE  77           HE1      PHE  77  -0.614   4.962  -0.579
  581    HE2  PHE  77           HE2      PHE  77   0.816   6.865  -4.158
  582    HZ   PHE  77           HZ       PHE  77   0.323   6.953  -1.728
  583    H    GLN  78           HN       GLN  78   0.311  -0.836  -3.630
  584    HA   GLN  78           HA       GLN  78  -0.174  -1.943  -6.380
  585   1HB   GLN  78           HB2      GLN  78   1.313  -3.157  -4.050
  586   2HB   GLN  78           HB1      GLN  78   0.748  -4.103  -5.427
  587   1HG   GLN  78           HG2      GLN  78   2.017  -2.553  -6.931
  588   2HG   GLN  78           HG1      GLN  78   2.690  -1.775  -5.499
  589   1HE2  GLN  78          HE22      GLN  78   5.308  -4.158  -5.913
  590   2HE2  GLN  78          HE21      GLN  78   4.870  -2.535  -6.135
  591    H    PHE  79           HN       PHE  79  -1.876  -3.254  -6.620
  592    HA   PHE  79           HA       PHE  79  -3.696  -3.533  -4.251
  593   1HB   PHE  79           HB2      PHE  79  -4.235  -3.509  -7.232
  594   2HB   PHE  79           HB1      PHE  79  -5.461  -3.810  -5.995
  595    HD1  PHE  79           HD2      PHE  79  -2.977  -1.336  -7.221
  596    HD2  PHE  79           HD1      PHE  79  -6.373  -2.031  -4.694
  597    HE1  PHE  79           HE2      PHE  79  -3.168   1.098  -6.811
  598    HE2  PHE  79           HE1      PHE  79  -6.571   0.403  -4.284
  599    HZ   PHE  79           HZ       PHE  79  -4.969   1.968  -5.340
  600    H    PHE  80           HN       PHE  80  -4.183  -5.505  -3.522
  601    HA   PHE  80           HA       PHE  80  -3.512  -7.867  -5.218
  602   1HB   PHE  80           HB2      PHE  80  -3.047  -7.476  -2.263
  603   2HB   PHE  80           HB1      PHE  80  -2.992  -9.056  -3.043
  604    HD1  PHE  80           HD2      PHE  80  -1.318  -5.754  -2.751
  605    HD2  PHE  80           HD1      PHE  80  -1.212  -9.647  -4.587
  606    HE1  PHE  80           HE2      PHE  80   1.033  -5.382  -3.428
  607    HE2  PHE  80           HE1      PHE  80   1.140  -9.262  -5.260
  608    HZ   PHE  80           HZ       PHE  80   2.263  -7.128  -4.681
  609    H    LYS  81           HN       LYS  81  -4.952  -9.581  -5.136
  610    HA   LYS  81           HA       LYS  81  -7.312  -9.372  -3.368
  611   1HB   LYS  81           HB2      LYS  81  -7.700  -8.156  -5.627
  612   2HB   LYS  81           HB1      LYS  81  -7.618  -9.752  -6.360
  613   1HG   LYS  81           HG2      LYS  81  -9.933  -9.377  -5.997
  614   2HG   LYS  81           HG1      LYS  81  -9.438 -10.440  -4.689
  615   1HD   LYS  81           HD2      LYS  81  -9.430  -8.674  -3.100
  616   2HD   LYS  81           HD1      LYS  81  -9.483  -7.440  -4.358
  617   1HE   LYS  81           HE2      LYS  81 -11.743  -8.158  -4.979
  618   2HE   LYS  81           HE1      LYS  81 -11.686  -9.427  -3.755
  619   1HZ   LYS  81           HZ3      LYS  81 -11.184  -7.514  -2.155
  620   2HZ   LYS  81           HZ2      LYS  81 -11.779  -6.503  -3.382
  621   3HZ   LYS  81           HZ1      LYS  81 -12.779  -7.695  -2.699
  622    H    LYS  82           HN       LYS  82  -7.708 -11.396  -2.605
  623    HA   LYS  82           HA       LYS  82  -7.509 -13.717  -2.327
  624   1HB   LYS  82           HB2      LYS  82  -7.594 -13.681  -5.365
  625   2HB   LYS  82           HB1      LYS  82  -7.835 -15.103  -4.351
  626   1HG   LYS  82           HG2      LYS  82  -9.720 -13.719  -3.223
  627   2HG   LYS  82           HG1      LYS  82  -9.607 -12.685  -4.642
  628   1HD   LYS  82           HD2      LYS  82  -9.877 -14.766  -6.062
  629   2HD   LYS  82           HD1      LYS  82 -10.267 -15.629  -4.573
  630   1HE   LYS  82           HE2      LYS  82 -12.084 -13.940  -4.151
  631   2HE   LYS  82           HE1      LYS  82 -11.757 -13.268  -5.749
  632   1HZ   LYS  82           HZ2      LYS  82 -12.151 -15.538  -6.649
  633   2HZ   LYS  82           HZ1      LYS  82 -12.687 -16.010  -5.106
  634   3HZ   LYS  82           HZ3      LYS  82 -13.524 -14.809  -5.966
  635    H    GLY  83           HN       GLY  83  -5.029 -12.152  -2.492
  636   1HA   GLY  83           HA2      GLY  83  -2.758 -12.737  -2.333
  637   2HA   GLY  83           HA1      GLY  83  -3.198 -14.384  -2.775
  638    H    GLN  84           HN       GLN  84  -4.238 -11.816  -4.882
  639    HA   GLN  84           HA       GLN  84  -1.982 -12.410  -6.753
  640   1HB   GLN  84           HB2      GLN  84  -4.930 -12.257  -7.430
  641   2HB   GLN  84           HB1      GLN  84  -3.631 -12.364  -8.616
  642   1HG   GLN  84           HG2      GLN  84  -2.893 -14.502  -7.530
  643   2HG   GLN  84           HG1      GLN  84  -4.324 -14.417  -6.500
  644   1HE2  GLN  84          HE22      GLN  84  -6.410 -14.575  -9.654
  645   2HE2  GLN  84          HE21      GLN  84  -6.136 -13.345  -8.514
  646    H    LYS  85           HN       LYS  85  -1.228 -10.602  -7.918
  647    HA   LYS  85           HA       LYS  85  -2.068  -7.976  -6.928
  648   1HB   LYS  85           HB2      LYS  85   0.296  -8.562  -7.517
  649   2HB   LYS  85           HB1      LYS  85  -0.187  -8.614  -9.211
  650   1HG   LYS  85           HG2      LYS  85  -1.003  -6.245  -8.978
  651   2HG   LYS  85           HG1      LYS  85  -0.316  -6.220  -7.355
  652   1HD   LYS  85           HD2      LYS  85   1.257  -6.830  -9.871
  653   2HD   LYS  85           HD1      LYS  85   1.229  -5.261  -9.071
  654   1HE   LYS  85           HE2      LYS  85   1.947  -6.629  -6.945
  655   2HE   LYS  85           HE1      LYS  85   2.439  -7.848  -8.121
  656   1HZ   LYS  85           HZ3      LYS  85   3.367  -5.412  -9.059
  657   2HZ   LYS  85           HZ2      LYS  85   3.743  -5.453  -7.402
  658   3HZ   LYS  85           HZ1      LYS  85   4.284  -6.693  -8.430
  659    H    VAL  86           HN       VAL  86  -3.630  -6.725  -7.799
  660    HA   VAL  86           HA       VAL  86  -4.537  -7.290 -10.600
  661    HB   VAL  86           HB       VAL  86  -6.798  -6.469  -9.784
  662   1HG1  VAL  86          HG11      VAL  86  -6.064  -8.929 -10.032
  663   2HG1  VAL  86          HG13      VAL  86  -5.870  -8.924  -8.279
  664   3HG1  VAL  86          HG12      VAL  86  -7.453  -8.616  -8.993
  665   1HG2  VAL  86          HG22      VAL  86  -5.835  -5.375  -7.720
  666   2HG2  VAL  86          HG21      VAL  86  -7.216  -6.424  -7.403
  667   3HG2  VAL  86          HG23      VAL  86  -5.582  -6.989  -7.053
  668    H    GLY  87           HN       GLY  87  -2.730  -5.122  -9.066
  669   1HA   GLY  87           HA2      GLY  87  -3.253  -3.050 -10.957
  670   2HA   GLY  87           HA1      GLY  87  -4.061  -2.629  -9.451
  671    H    GLU  88           HN       GLU  88  -1.845  -1.272 -10.751
  672    HA   GLU  88           HA       GLU  88  -0.126  -0.915  -8.447
  673   1HB   GLU  88           HB2      GLU  88   1.113  -2.768  -9.176
  674   2HB   GLU  88           HB1      GLU  88   0.856  -2.399 -10.873
  675   1HG   GLU  88           HG2      GLU  88   3.178  -1.959 -10.248
  676   2HG   GLU  88           HG1      GLU  88   2.396  -0.439 -10.643
  677    H    PHE  89           HN       PHE  89   0.712   1.133  -8.453
  678    HA   PHE  89           HA       PHE  89   1.231   2.557 -10.921
  679   1HB   PHE  89           HB2      PHE  89  -0.499   4.158 -10.945
  680   2HB   PHE  89           HB1      PHE  89  -1.329   2.640 -10.639
  681    HD1  PHE  89           HD1      PHE  89   0.134   5.617  -8.901
  682    HD2  PHE  89           HD2      PHE  89  -2.711   2.406  -8.738
  683    HE1  PHE  89           HE1      PHE  89  -0.856   6.602  -6.849
  684    HE2  PHE  89           HE2      PHE  89  -3.705   3.389  -6.688
  685    HZ   PHE  89           HZ       PHE  89  -2.788   5.494  -5.745
  686    H    SER  90           HN       SER  90   2.109   4.706 -10.543
  687    HA   SER  90           HA       SER  90   3.123   5.103  -7.743
  688   1HB   SER  90           HB2      SER  90   5.227   5.919  -8.731
  689   2HB   SER  90           HB1      SER  90   4.925   4.247  -9.206
  690    HG   SER  90           HG       SER  90   5.515   5.978 -10.864
  691    H    GLY  91           HN       GLY  91   3.759   7.333  -7.292
  692   1HA   GLY  91           HA2      GLY  91   3.735   9.695  -8.205
  693   2HA   GLY  91           HA1      GLY  91   2.151   9.324  -8.877
  694    H    ALA  92           HN       ALA  92   3.104  11.297  -6.745
  695    HA   ALA  92           HA       ALA  92   1.829  10.348  -4.293
  696   1HB   ALA  92           HB3      ALA  92   3.015  12.963  -5.220
  697   2HB   ALA  92           HB2      ALA  92   2.135  12.869  -3.698
  698   3HB   ALA  92           HB1      ALA  92   3.587  11.894  -3.943
  699    H    ASN  93           HN       ASN  93  -0.204   9.843  -5.722
  700    HA   ASN  93           HA       ASN  93  -2.019  12.240  -5.717
  701   1HB   ASN  93           HB2      ASN  93  -1.485  11.255  -7.994
  702   2HB   ASN  93           HB1      ASN  93  -2.300   9.784  -7.460
  703   1HD2  ASN  93          HD22      ASN  93  -5.091  12.599  -7.013
  704   2HD2  ASN  93          HD21      ASN  93  -3.826  12.338  -5.912
  705    H    LYS  94           HN       LYS  94  -2.927  11.942  -3.681
  706    HA   LYS  94           HA       LYS  94  -3.631   9.366  -2.595
  707   1HB   LYS  94           HB2      LYS  94  -4.927  10.774  -0.937
  708   2HB   LYS  94           HB1      LYS  94  -3.219  11.165  -1.087
  709   1HG   LYS  94           HG2      LYS  94  -4.918  12.681  -2.975
  710   2HG   LYS  94           HG1      LYS  94  -5.312  13.005  -1.297
  711   1HD   LYS  94           HD2      LYS  94  -2.453  13.061  -2.263
  712   2HD   LYS  94           HD1      LYS  94  -3.503  14.461  -2.427
  713   1HE   LYS  94           HE2      LYS  94  -3.881  14.526  -0.023
  714   2HE   LYS  94           HE1      LYS  94  -2.938  13.052   0.198
  715   1HZ   LYS  94           HZ2      LYS  94  -1.015  14.220  -0.732
  716   2HZ   LYS  94           HZ1      LYS  94  -1.934  15.644  -0.844
  717   3HZ   LYS  94           HZ3      LYS  94  -1.595  14.975   0.675
  718    H    GLU  95           HN       GLU  95  -5.484  11.762  -4.442
  719    HA   GLU  95           HA       GLU  95  -8.070  10.610  -4.011
  720   1HB   GLU  95           HB2      GLU  95  -7.006  12.198  -6.365
  721   2HB   GLU  95           HB1      GLU  95  -8.708  11.884  -6.037
  722   1HG   GLU  95           HG2      GLU  95  -6.848  13.292  -4.107
  723   2HG   GLU  95           HG1      GLU  95  -7.936  14.127  -5.212
  724    H    LYS  96           HN       LYS  96  -5.443   9.839  -6.163
  725    HA   LYS  96           HA       LYS  96  -6.806   8.216  -8.064
  726   1HB   LYS  96           HB2      LYS  96  -4.419   9.049  -8.112
  727   2HB   LYS  96           HB1      LYS  96  -4.023   7.782  -6.972
  728   1HG   LYS  96           HG2      LYS  96  -4.490   6.061  -8.506
  729   2HG   LYS  96           HG1      LYS  96  -5.393   7.132  -9.578
  730   1HD   LYS  96           HD2      LYS  96  -2.488   7.751  -9.038
  731   2HD   LYS  96           HD1      LYS  96  -2.882   6.443 -10.157
  732   1HE   LYS  96           HE2      LYS  96  -4.191   7.945 -11.541
  733   2HE   LYS  96           HE1      LYS  96  -3.983   9.258 -10.385
  734   1HZ   LYS  96           HZ1      LYS  96  -1.798   7.915 -11.882
  735   2HZ   LYS  96           HZ3      LYS  96  -2.440   9.444 -12.239
  736   3HZ   LYS  96           HZ2      LYS  96  -1.607   9.194 -10.779
  737    H    LEU  97           HN       LEU  97  -5.489   7.485  -4.859
  738    HA   LEU  97           HA       LEU  97  -5.756   4.660  -4.887
  739   1HB   LEU  97           HB2      LEU  97  -6.057   6.710  -2.672
  740   2HB   LEU  97           HB1      LEU  97  -6.126   4.982  -2.366
  741    HG   LEU  97           HG       LEU  97  -3.787   6.262  -3.787
  742   1HD1  LEU  97          HD11      LEU  97  -4.082   7.335  -1.578
  743   2HD1  LEU  97          HD13      LEU  97  -4.124   5.750  -0.813
  744   3HD1  LEU  97          HD12      LEU  97  -2.646   6.313  -1.591
  745   1HD2  LEU  97          HD21      LEU  97  -4.511   3.554  -3.273
  746   2HD2  LEU  97          HD23      LEU  97  -2.953   4.146  -3.841
  747   3HD2  LEU  97          HD22      LEU  97  -3.236   3.919  -2.118
  748    H    GLU  98           HN       GLU  98  -8.013   7.255  -4.208
  749    HA   GLU  98           HA       GLU  98 -10.184   5.636  -3.267
  750   1HB   GLU  98           HB2      GLU  98 -10.024   8.111  -2.992
  751   2HB   GLU  98           HB1      GLU  98 -10.338   8.296  -4.716
  752   1HG   GLU  98           HG2      GLU  98 -12.438   8.597  -3.588
  753   2HG   GLU  98           HG1      GLU  98 -12.505   7.010  -4.351
  754    H    ALA  99           HN       ALA  99  -9.347   6.726  -6.554
  755    HA   ALA  99           HA       ALA  99 -11.747   5.673  -7.729
  756   1HB   ALA  99           HB2      ALA  99 -10.318   7.396  -8.815
  757   2HB   ALA  99           HB1      ALA  99  -9.081   6.168  -9.080
  758   3HB   ALA  99           HB3      ALA  99 -10.649   6.026  -9.873
  759    H    THR 100           HN       THR 100  -8.468   4.275  -7.441
  760    HA   THR 100           HA       THR 100  -9.102   1.921  -8.945
  761    HB   THR 100           HB       THR 100  -7.080   2.092  -6.697
  762    HG1  THR 100           HG1      THR 100  -6.744   3.799  -8.120
  763   1HG2  THR 100          HG21      THR 100  -7.337   0.423  -9.214
  764   2HG2  THR 100          HG23      THR 100  -5.895   0.457  -8.202
  765   3HG2  THR 100          HG22      THR 100  -7.419  -0.150  -7.549
  766    H    ILE 101           HN       ILE 101  -9.342   2.651  -5.479
  767    HA   ILE 101           HA       ILE 101 -10.023   0.019  -4.581
  768    HB   ILE 101           HB       ILE 101 -10.742   2.776  -3.535
  769   1HG1  ILE 101          HG12      ILE 101  -8.912   0.731  -2.259
  770   2HG1  ILE 101          HG11      ILE 101  -8.312   1.787  -3.536
  771   1HG2  ILE 101          HG22      ILE 101 -11.362   0.034  -2.418
  772   2HG2  ILE 101          HG21      ILE 101 -11.267   1.460  -1.385
  773   3HG2  ILE 101          HG23      ILE 101 -12.469   1.383  -2.674
  774   1HD1  ILE 101          HD12      ILE 101  -9.112   3.760  -2.194
  775   2HD1  ILE 101          HD11      ILE 101  -9.525   2.646  -0.891
  776   3HD1  ILE 101          HD13      ILE 101  -7.844   2.832  -1.394
  777    H    ASN 102           HN       ASN 102 -12.129   2.780  -5.455
  778    HA   ASN 102           HA       ASN 102 -14.601   1.376  -5.211
  779   1HB   ASN 102           HB2      ASN 102 -14.304   3.887  -5.477
  780   2HB   ASN 102           HB1      ASN 102 -14.004   3.598  -7.191
  781   1HD2  ASN 102          HD22      ASN 102 -17.504   3.993  -7.595
  782   2HD2  ASN 102          HD21      ASN 102 -15.970   4.655  -7.892
  783    H    GLU 103           HN       GLU 103 -12.244   1.629  -7.781
  784    HA   GLU 103           HA       GLU 103 -13.816   0.433  -9.849
  785   1HB   GLU 103           HB2      GLU 103 -11.664   1.765 -10.113
  786   2HB   GLU 103           HB1      GLU 103 -10.809   0.331  -9.558
  787   1HG   GLU 103           HG2      GLU 103 -10.789   0.224 -11.952
  788   2HG   GLU 103           HG1      GLU 103 -11.972  -0.965 -11.408
  789    H    LEU 104           HN       LEU 104 -11.561  -0.924  -7.459
  790    HA   LEU 104           HA       LEU 104 -12.127  -3.663  -8.477
  791   1HB   LEU 104           HB2      LEU 104 -10.134  -2.687  -6.418
  792   2HB   LEU 104           HB1      LEU 104 -10.259  -4.338  -7.012
  793    HG   LEU 104           HG       LEU 104  -9.619  -1.896  -8.701
  794   1HD1  LEU 104          HD13      LEU 104  -7.901  -4.191  -7.707
  795   2HD1  LEU 104          HD12      LEU 104  -7.375  -2.978  -8.876
  796   3HD1  LEU 104          HD11      LEU 104  -7.770  -2.500  -7.225
  797   1HD2  LEU 104          HD21      LEU 104 -10.073  -4.815  -9.342
  798   2HD2  LEU 104          HD23      LEU 104 -10.644  -3.390 -10.210
  799   3HD2  LEU 104          HD22      LEU 104  -8.953  -3.870 -10.325
  800    H    VAL 105           HN       VAL 105 -13.470  -1.612  -6.191
  801    HA   VAL 105           HA       VAL 105 -13.739  -3.402  -3.953
  802    HB   VAL 105           HB       VAL 105 -14.268  -0.880  -3.994
  803   1HG1  VAL 105          HG13      VAL 105 -15.874  -1.264  -6.016
  804   2HG1  VAL 105          HG12      VAL 105 -17.041  -1.755  -4.793
  805   3HG1  VAL 105          HG11      VAL 105 -16.361  -0.127  -4.762
  806   1HG2  VAL 105          HG22      VAL 105 -16.151  -2.905  -2.760
  807   2HG2  VAL 105          HG21      VAL 105 -14.730  -2.170  -2.017
  808   3HG2  VAL 105          HG23      VAL 105 -16.161  -1.192  -2.338
  809    HA   PRO  59           HA       PRO 106  14.412  15.922 -13.867
  810   1HB   PRO  59           HB2      PRO 106  16.978  15.564 -12.338
  811   2HB   PRO  59           HB1      PRO 106  16.518  14.921 -13.929
  812   1HG   PRO  59           HG2      PRO 106  18.147  17.007 -13.733
  813   2HG   PRO  59           HG1      PRO 106  16.911  16.934 -15.003
  814   1HD   PRO  59           HD2      PRO 106  16.955  18.598 -12.518
  815   2HD   PRO  59           HD1      PRO 106  16.219  18.949 -14.098
  816    H    ALA  60           HN       ALA 107  15.223  16.909 -10.574
  817    HA   ALA  60           HA       ALA 107  14.164  14.398  -9.430
  818   1HB   ALA  60           HB3      ALA 107  16.130  15.716  -8.453
  819   2HB   ALA  60           HB2      ALA 107  14.945  16.915  -7.935
  820   3HB   ALA  60           HB1      ALA 107  14.863  15.268  -7.313
  821    H    THR  61           HN       THR 108  12.033  14.162  -8.992
  822    HA   THR  61           HA       THR 108  10.298  16.610  -8.871
  823    HB   THR  61           HB       THR 108   9.444  13.738  -9.355
  824    HG1  THR  61           HG1      THR 108   9.690  15.745 -11.317
  825   1HG2  THR  61          HG21      THR 108   7.745  15.401  -8.534
  826   2HG2  THR  61          HG23      THR 108   8.064  16.362  -9.977
  827   3HG2  THR  61          HG22      THR 108   7.382  14.742 -10.128
  828    H    LEU  62           HN       LEU 109   9.331  17.066  -6.948
  829    HA   LEU  62           HA       LEU 109   9.944  15.569  -4.575
  830   1HB   LEU  62           HB2      LEU 109   7.950  17.771  -5.150
  831   2HB   LEU  62           HB1      LEU 109   8.197  17.105  -3.539
  832    HG   LEU  62           HG       LEU 109  10.452  18.232  -5.225
  833   1HD1  LEU  62          HD13      LEU 109   8.732  19.962  -4.783
  834   2HD1  LEU  62          HD12      LEU 109   8.846  19.621  -3.057
  835   3HD1  LEU  62          HD11      LEU 109  10.231  20.293  -3.918
  836   1HD2  LEU  62          HD21      LEU 109  10.163  17.277  -2.374
  837   2HD2  LEU  62          HD23      LEU 109  11.457  16.958  -3.528
  838   3HD2  LEU  62          HD22      LEU 109  11.343  18.530  -2.747
  839    H    LYS  63           HN       LYS 110   7.259  15.548  -6.804
  840    HA   LYS  63           HA       LYS 110   5.311  14.209  -5.234
  841   1HB   LYS  63           HB2      LYS 110   5.877  14.019  -8.210
  842   2HB   LYS  63           HB1      LYS 110   4.396  13.465  -7.436
  843   1HG   LYS  63           HG2      LYS 110   5.402  16.326  -7.329
  844   2HG   LYS  63           HG1      LYS 110   4.207  15.745  -8.481
  845   1HD   LYS  63           HD2      LYS 110   2.862  14.967  -6.409
  846   2HD   LYS  63           HD1      LYS 110   3.941  16.007  -5.479
  847   1HE   LYS  63           HE2      LYS 110   3.332  17.921  -6.922
  848   2HE   LYS  63           HE1      LYS 110   2.219  16.886  -7.814
  849   1HZ   LYS  63           HZ3      LYS 110   2.059  17.379  -4.891
  850   2HZ   LYS  63           HZ2      LYS 110   1.149  18.224  -6.051
  851   3HZ   LYS  63           HZ1      LYS 110   0.930  16.552  -5.848
  852    H    ILE  64           HN       ILE 111   8.264  13.114  -6.647
  853    HA   ILE  64           HA       ILE 111   7.680  10.284  -5.804
  854    HB   ILE  64           HB       ILE 111   9.229  11.277  -8.226
  855   1HG1  ILE  64          HG12      ILE 111   6.813  11.239  -8.588
  856   2HG1  ILE  64          HG11      ILE 111   7.572   9.937  -9.493
  857   1HG2  ILE  64          HG21      ILE 111   8.947   8.486  -7.089
  858   2HG2  ILE  64          HG23      ILE 111   9.518   8.829  -8.722
  859   3HG2  ILE  64          HG22      ILE 111  10.441   9.394  -7.331
  860   1HD1  ILE  64          HD11      ILE 111   7.031   8.567  -7.240
  861   2HD1  ILE  64          HD13      ILE 111   5.775   9.796  -7.112
  862   3HD1  ILE  64          HD12      ILE 111   5.845   8.749  -8.528
  863    H    CYS  65           HN       CYS 112   9.376   9.299  -4.596
  864    HA   CYS  65           HA       CYS 112  11.715  11.057  -3.970
  865   1HB   CYS  65           HB2      CYS 112  11.136   8.496  -2.479
  866   2HB   CYS  65           HB1      CYS 112  11.960   9.941  -1.915
  867    H    SER  66           HN       SER 113  13.637  10.522  -4.944
  868    HA   SER  66           HA       SER 113  13.788   8.200  -6.684
  869   1HB   SER  66           HB2      SER 113  15.920  10.177  -5.826
  870   2HB   SER  66           HB1      SER 113  16.111   8.986  -7.109
  871    HG   SER  66           HG       SER 113  14.615  10.033  -8.306
  872    H    TRP  67           HN       TRP 114  14.880   6.278  -6.392
  873    HA   TRP  67           HA       TRP 114  15.556   5.468  -3.678
  874   1HB   TRP  67           HB2      TRP 114  15.797   4.088  -6.368
  875   2HB   TRP  67           HB1      TRP 114  16.292   3.325  -4.856
  876    HD1  TRP  67           HD1      TRP 114  13.186   5.335  -5.949
  877    HE1  TRP  67           HE1      TRP 114  11.083   4.083  -5.143
  878    HE3  TRP  67           HE3      TRP 114  15.343   1.295  -3.707
  879    HZ2  TRP  67           HZ2      TRP 114  10.431   1.708  -3.703
  880    HZ3  TRP  67           HZ3      TRP 114  13.963  -0.435  -2.626
  881    HH2  TRP  67           HH2      TRP 114  11.507  -0.230  -2.633
  882    H    ASN  68           HN       ASN 115  17.197   7.107  -6.140
  883    HA   ASN  68           HA       ASN 115  19.834   6.133  -6.055
  884   1HB   ASN  68           HB2      ASN 115  18.824   8.996  -6.162
  885   2HB   ASN  68           HB1      ASN 115  20.518   8.557  -6.388
  886   1HD2  ASN  68          HD22      ASN 115  18.596   6.505  -9.231
  887   2HD2  ASN  68          HD21      ASN 115  18.608   6.044  -7.599
  888    H    VAL  69           HN       VAL 116  17.932   7.350  -3.510
  889    HA   VAL  69           HA       VAL 116  19.929   8.565  -1.861
  890    HB   VAL  69           HB       VAL 116  18.363   7.978   0.029
  891   1HG1  VAL  69          HG13      VAL 116  18.112  10.029  -1.401
  892   2HG1  VAL  69          HG12      VAL 116  16.979   9.129  -2.409
  893   3HG1  VAL  69          HG11      VAL 116  16.590   9.454  -0.719
  894   1HG2  VAL  69          HG22      VAL 116  17.591   5.822  -1.189
  895   2HG2  VAL  69          HG21      VAL 116  16.353   6.774  -0.375
  896   3HG2  VAL  69          HG23      VAL 116  16.540   6.883  -2.123
  897    H    ASP  70           HN       ASP 117  21.262   7.665  -0.241
  898    HA   ASP  70           HA       ASP 117  22.342   5.074  -0.726
  899   1HB   ASP  70           HB2      ASP 117  22.493   6.873   1.705
  900   2HB   ASP  70           HB1      ASP 117  23.397   5.363   1.563
  901    H    GLY  71           HN       GLY 118  19.908   6.171   1.622
  902   1HA   GLY  71           HA2      GLY 118  18.433   3.802   1.713
  903   2HA   GLY  71           HA1      GLY 118  19.692   3.602   2.933
   
  No H/Q in entry =         903
  Start of MODEL   26
    1   1H    MET   1           HT2      MET   1  -8.881  -1.519   9.607
    2   2H    MET   1           HT1      MET   1  -9.245  -2.251  11.096
    3   3H    MET   1           HT3      MET   1  -9.663  -0.631  10.825
    4    HA   MET   1           HA       MET   1  -7.670   0.113  11.423
    5   1HB   MET   1           HB2      MET   1  -7.320  -2.809  12.167
    6   2HB   MET   1           HB1      MET   1  -6.306  -1.494  12.759
    7   1HG   MET   1           HG2      MET   1  -9.307  -1.670  13.156
    8   2HG   MET   1           HG1      MET   1  -8.107  -2.109  14.370
    9   1HE   MET   1           HE2      MET   1 -10.365  -0.206  14.943
   10   2HE   MET   1           HE1      MET   1  -9.098  -0.427  16.148
   11   3HE   MET   1           HE3      MET   1  -9.636   1.200  15.709
   12    H    VAL   2           HN       VAL   2  -5.224  -0.106  11.143
   13    HA   VAL   2           HA       VAL   2  -4.666  -1.031   8.359
   14    HB   VAL   2           HB       VAL   2  -3.126   0.804  10.222
   15   1HG1  VAL   2          HG12      VAL   2  -2.560  -0.262   7.451
   16   2HG1  VAL   2          HG11      VAL   2  -1.903   1.288   7.980
   17   3HG1  VAL   2          HG13      VAL   2  -1.481  -0.188   8.845
   18   1HG2  VAL   2          HG22      VAL   2  -5.327   1.605   9.188
   19   2HG2  VAL   2          HG21      VAL   2  -3.906   2.581   8.814
   20   3HG2  VAL   2          HG23      VAL   2  -4.536   1.445   7.621
   21    H    LYS   3           HN       LYS   3  -2.536  -2.091   7.973
   22    HA   LYS   3           HA       LYS   3  -1.513  -3.645  10.324
   23   1HB   LYS   3           HB2      LYS   3  -3.007  -5.037   8.854
   24   2HB   LYS   3           HB1      LYS   3  -1.937  -4.691   7.504
   25   1HG   LYS   3           HG2      LYS   3  -1.244  -6.818   8.314
   26   2HG   LYS   3           HG1      LYS   3  -0.049  -5.684   8.929
   27   1HD   LYS   3           HD2      LYS   3  -0.992  -5.717  11.119
   28   2HD   LYS   3           HD1      LYS   3  -2.458  -6.522  10.555
   29   1HE   LYS   3           HE2      LYS   3  -1.021  -8.156  11.655
   30   2HE   LYS   3           HE1      LYS   3  -1.069  -8.502   9.926
   31   1HZ   LYS   3           HZ2      LYS   3   0.996  -6.647  10.661
   32   2HZ   LYS   3           HZ1      LYS   3   1.181  -8.169  11.395
   33   3HZ   LYS   3           HZ3      LYS   3   1.083  -8.050   9.706
   34    H    GLN   4           HN       GLN   4   0.677  -3.495  10.500
   35    HA   GLN   4           HA       GLN   4   2.175  -2.201   8.268
   36   1HB   GLN   4           HB2      GLN   4   2.360  -1.221  10.548
   37   2HB   GLN   4           HB1      GLN   4   3.020  -2.745  11.134
   38   1HG   GLN   4           HG2      GLN   4   4.890  -2.540   9.495
   39   2HG   GLN   4           HG1      GLN   4   4.242  -0.977   8.990
   40   1HE2  GLN   4          HE22      GLN   4   6.560   0.251  11.417
   41   2HE2  GLN   4          HE21      GLN   4   6.329  -0.027   9.760
   42    H    ILE   5           HN       ILE   5   3.388  -3.457   6.979
   43    HA   ILE   5           HA       ILE   5   4.061  -6.243   7.825
   44    HB   ILE   5           HB       ILE   5   4.360  -4.937   5.115
   45   1HG1  ILE   5          HG12      ILE   5   2.028  -4.785   5.754
   46   2HG1  ILE   5          HG11      ILE   5   2.206  -6.080   4.574
   47   1HG2  ILE   5          HG22      ILE   5   5.610  -7.091   5.679
   48   2HG2  ILE   5          HG21      ILE   5   4.027  -7.864   5.785
   49   3HG2  ILE   5          HG23      ILE   5   4.555  -7.140   4.272
   50   1HD1  ILE   5          HD11      ILE   5   2.448  -7.636   6.661
   51   2HD1  ILE   5          HD13      ILE   5   1.736  -6.286   7.543
   52   3HD1  ILE   5          HD12      ILE   5   0.842  -7.053   6.231
   53    H    GLU   6           HN       GLU   6   6.066  -6.357   8.783
   54    HA   GLU   6           HA       GLU   6   8.165  -4.410   7.959
   55   1HB   GLU   6           HB2      GLU   6   8.084  -6.383  10.258
   56   2HB   GLU   6           HB1      GLU   6   9.367  -5.207   9.960
   57   1HG   GLU   6           HG2      GLU   6   6.467  -4.426  10.343
   58   2HG   GLU   6           HG1      GLU   6   7.636  -4.490  11.665
   59    H    SER   7           HN       SER   7   7.146  -7.419   7.016
   60    HA   SER   7           HA       SER   7   9.782  -7.990   5.817
   61   1HB   SER   7           HB2      SER   7   9.864 -10.307   6.674
   62   2HB   SER   7           HB1      SER   7   9.963  -9.133   7.988
   63    HG   SER   7           HG       SER   7   8.212 -11.080   7.661
   64    H    LYS   8           HN       LYS   8   9.671  -9.647   4.155
   65    HA   LYS   8           HA       LYS   8   7.227  -9.603   2.632
   66   1HB   LYS   8           HB2      LYS   8   9.584  -9.998   1.712
   67   2HB   LYS   8           HB1      LYS   8   9.451 -11.630   2.368
   68   1HG   LYS   8           HG2      LYS   8   7.425 -12.024   1.035
   69   2HG   LYS   8           HG1      LYS   8   7.529 -10.389   0.386
   70   1HD   LYS   8           HD2      LYS   8   8.461 -11.995  -1.214
   71   2HD   LYS   8           HD1      LYS   8   9.729 -10.931  -0.611
   72   1HE   LYS   8           HE2      LYS   8  10.695 -12.617   0.700
   73   2HE   LYS   8           HE1      LYS   8   9.210 -13.574   0.743
   74   1HZ   LYS   8           HZ1      LYS   8  10.799 -13.078  -1.714
   75   2HZ   LYS   8           HZ3      LYS   8  10.955 -14.465  -0.752
   76   3HZ   LYS   8           HZ2      LYS   8   9.485 -14.140  -1.540
   77    H    THR   9           HN       THR   9   8.611 -11.763   5.023
   78    HA   THR   9           HA       THR   9   6.986 -14.040   4.580
   79    HB   THR   9           HB       THR   9   7.883 -13.010   7.281
   80    HG1  THR   9           HG1      THR   9   9.320 -14.757   5.609
   81   1HG2  THR   9          HG21      THR   9   7.406 -15.806   6.209
   82   2HG2  THR   9          HG23      THR   9   7.963 -15.409   7.836
   83   3HG2  THR   9          HG22      THR   9   6.346 -14.937   7.318
   84    H    ALA  10           HN       ALA  10   6.434 -11.209   6.658
   85    HA   ALA  10           HA       ALA  10   3.803 -12.051   7.483
   86   1HB   ALA  10           HB2      ALA  10   5.097  -9.307   7.418
   87   2HB   ALA  10           HB1      ALA  10   3.537  -9.651   8.166
   88   3HB   ALA  10           HB3      ALA  10   5.005 -10.395   8.803
   89    H    PHE  11           HN       PHE  11   5.087 -10.316   4.714
   90    HA   PHE  11           HA       PHE  11   2.686  -9.108   3.767
   91   1HB   PHE  11           HB2      PHE  11   5.043  -8.816   2.830
   92   2HB   PHE  11           HB1      PHE  11   4.840 -10.361   2.034
   93    HD1  PHE  11           HD1      PHE  11   2.973  -7.128   2.468
   94    HD2  PHE  11           HD2      PHE  11   4.030 -10.365  -0.153
   95    HE1  PHE  11           HE1      PHE  11   1.774  -6.019   0.603
   96    HE2  PHE  11           HE2      PHE  11   2.829  -9.258  -2.010
   97    HZ   PHE  11           HZ       PHE  11   1.702  -7.086  -1.634
   98    H    GLN  12           HN       GLN  12   4.074 -12.324   3.172
   99    HA   GLN  12           HA       GLN  12   2.007 -13.247   1.407
  100   1HB   GLN  12           HB2      GLN  12   3.729 -14.840   3.343
  101   2HB   GLN  12           HB1      GLN  12   2.874 -15.491   1.946
  102   1HG   GLN  12           HG2      GLN  12   5.058 -13.385   1.823
  103   2HG   GLN  12           HG1      GLN  12   5.276 -15.095   1.449
  104   1HE2  GLN  12          HE22      GLN  12   3.232 -14.865  -1.566
  105   2HE2  GLN  12          HE21      GLN  12   3.478 -15.902  -0.247
  106    H    GLU  13           HN       GLU  13   2.467 -13.483   4.906
  107    HA   GLU  13           HA       GLU  13   0.115 -15.009   5.487
  108   1HB   GLU  13           HB2      GLU  13   1.771 -13.088   7.142
  109   2HB   GLU  13           HB1      GLU  13   0.487 -14.077   7.819
  110   1HG   GLU  13           HG2      GLU  13   2.878 -15.178   6.313
  111   2HG   GLU  13           HG1      GLU  13   2.760 -15.106   8.075
  112    H    ALA  14           HN       ALA  14   0.681 -11.532   5.257
  113    HA   ALA  14           HA       ALA  14  -1.880 -10.763   6.303
  114   1HB   ALA  14           HB2      ALA  14   0.258  -9.338   5.944
  115   2HB   ALA  14           HB1      ALA  14  -0.319  -9.149   4.287
  116   3HB   ALA  14           HB3      ALA  14  -1.299  -8.573   5.633
  117    H    LEU  15           HN       LEU  15  -0.663 -11.370   3.024
  118    HA   LEU  15           HA       LEU  15  -3.018 -10.621   1.625
  119   1HB   LEU  15           HB2      LEU  15  -0.885 -12.674   1.016
  120   2HB   LEU  15           HB1      LEU  15  -2.158 -12.247  -0.126
  121    HG   LEU  15           HG       LEU  15  -0.325 -10.183   1.113
  122   1HD1  LEU  15          HD13      LEU  15   0.058 -11.917  -1.324
  123   2HD1  LEU  15          HD12      LEU  15   0.789 -10.317  -1.228
  124   3HD1  LEU  15          HD11      LEU  15   1.207 -11.547  -0.038
  125   1HD2  LEU  15          HD23      LEU  15  -2.281 -10.221  -1.194
  126   2HD2  LEU  15          HD22      LEU  15  -2.192  -9.089   0.151
  127   3HD2  LEU  15          HD21      LEU  15  -0.987  -9.026  -1.125
  128    H    ASP  16           HN       ASP  16  -2.029 -13.675   3.127
  129    HA   ASP  16           HA       ASP  16  -4.342 -15.131   2.241
  130   1HB   ASP  16           HB2      ASP  16  -2.170 -16.150   3.068
  131   2HB   ASP  16           HB1      ASP  16  -2.697 -15.740   4.703
  132    H    ALA  17           HN       ALA  17  -3.636 -13.134   5.056
  133    HA   ALA  17           HA       ALA  17  -5.924 -13.927   6.611
  134   1HB   ALA  17           HB2      ALA  17  -4.272 -11.389   6.627
  135   2HB   ALA  17           HB1      ALA  17  -5.530 -11.749   7.810
  136   3HB   ALA  17           HB3      ALA  17  -4.100 -12.776   7.704
  137    H    ALA  18           HN       ALA  18  -5.389 -11.310   4.281
  138    HA   ALA  18           HA       ALA  18  -7.896  -9.997   4.607
  139   1HB   ALA  18           HB3      ALA  18  -6.007  -9.063   3.301
  140   2HB   ALA  18           HB2      ALA  18  -6.248 -10.317   2.082
  141   3HB   ALA  18           HB1      ALA  18  -7.494  -9.098   2.354
  142    H    GLY  19           HN       GLY  19  -6.945 -12.815   2.700
  143   1HA   GLY  19           HA2      GLY  19  -8.267 -14.484   1.722
  144   2HA   GLY  19           HA1      GLY  19  -9.644 -13.824   2.606
  145    H    ASP  20           HN       ASP  20 -11.236 -13.218   1.204
  146    HA   ASP  20           HA       ASP  20 -10.534 -12.500  -1.569
  147   1HB   ASP  20           HB2      ASP  20 -13.231 -12.787  -0.213
  148   2HB   ASP  20           HB1      ASP  20 -12.971 -12.541  -1.941
  149    H    LYS  21           HN       LYS  21 -10.619 -10.760   1.222
  150    HA   LYS  21           HA       LYS  21 -12.166  -8.450   0.357
  151   1HB   LYS  21           HB2      LYS  21 -10.054  -8.817   2.510
  152   2HB   LYS  21           HB1      LYS  21 -10.938  -7.313   2.263
  153   1HG   LYS  21           HG2      LYS  21 -13.074  -8.799   2.459
  154   2HG   LYS  21           HG1      LYS  21 -11.991  -9.987   3.181
  155   1HD   LYS  21           HD2      LYS  21 -11.229  -8.054   4.734
  156   2HD   LYS  21           HD1      LYS  21 -12.685  -7.224   4.185
  157   1HE   LYS  21           HE2      LYS  21 -14.036  -9.193   4.901
  158   2HE   LYS  21           HE1      LYS  21 -12.566  -9.935   5.531
  159   1HZ   LYS  21           HZ1      LYS  21 -13.321  -7.222   6.383
  160   2HZ   LYS  21           HZ3      LYS  21 -14.068  -8.567   7.097
  161   3HZ   LYS  21           HZ2      LYS  21 -12.384  -8.386   7.197
  162    H    LEU  22           HN       LEU  22 -11.321  -6.462  -0.495
  163    HA   LEU  22           HA       LEU  22  -9.152  -6.694  -2.324
  164   1HB   LEU  22           HB2      LEU  22 -11.151  -4.848  -1.847
  165   2HB   LEU  22           HB1      LEU  22  -9.743  -3.973  -1.280
  166    HG   LEU  22           HG       LEU  22 -10.121  -5.172  -4.029
  167   1HD1  LEU  22          HD13      LEU  22 -10.660  -2.525  -2.858
  168   2HD1  LEU  22          HD12      LEU  22  -9.597  -2.426  -4.254
  169   3HD1  LEU  22          HD11      LEU  22 -11.172  -3.199  -4.400
  170   1HD2  LEU  22          HD21      LEU  22  -7.738  -3.866  -2.701
  171   2HD2  LEU  22          HD23      LEU  22  -7.791  -5.361  -3.639
  172   3HD2  LEU  22          HD22      LEU  22  -7.948  -3.811  -4.449
  173    H    VAL  23           HN       VAL  23  -7.008  -5.549  -2.099
  174    HA   VAL  23           HA       VAL  23  -6.177  -4.971   0.678
  175    HB   VAL  23           HB       VAL  23  -4.872  -7.076  -1.075
  176   1HG1  VAL  23          HG13      VAL  23  -4.034  -5.734   1.497
  177   2HG1  VAL  23          HG12      VAL  23  -3.398  -7.302   1.015
  178   3HG1  VAL  23          HG11      VAL  23  -3.112  -5.888   0.004
  179   1HG2  VAL  23          HG22      VAL  23  -6.383  -7.175   1.544
  180   2HG2  VAL  23          HG21      VAL  23  -6.751  -8.041   0.052
  181   3HG2  VAL  23          HG23      VAL  23  -5.332  -8.480   1.001
  182    H    VAL  24           HN       VAL  24  -5.301  -2.996   0.443
  183    HA   VAL  24           HA       VAL  24  -3.794  -2.374  -2.059
  184    HB   VAL  24           HB       VAL  24  -4.739  -0.502   0.145
  185   1HG1  VAL  24          HG11      VAL  24  -2.774   0.247  -1.238
  186   2HG1  VAL  24          HG13      VAL  24  -3.783   0.078  -2.677
  187   3HG1  VAL  24          HG12      VAL  24  -4.200   1.261  -1.441
  188   1HG2  VAL  24          HG21      VAL  24  -5.939  -1.276  -2.523
  189   2HG2  VAL  24          HG23      VAL  24  -6.686  -1.414  -0.934
  190   3HG2  VAL  24          HG22      VAL  24  -6.412   0.175  -1.647
  191    H    VAL  25           HN       VAL  25  -1.584  -1.835  -1.925
  192    HA   VAL  25           HA       VAL  25  -0.315  -2.055   0.797
  193    HB   VAL  25           HB       VAL  25   0.839  -3.011  -1.841
  194   1HG1  VAL  25          HG11      VAL  25   2.424  -2.296   0.017
  195   2HG1  VAL  25          HG13      VAL  25   1.736  -3.605   0.975
  196   3HG1  VAL  25          HG12      VAL  25   2.594  -3.964  -0.521
  197   1HG2  VAL  25          HG21      VAL  25  -1.155  -4.328  -1.037
  198   2HG2  VAL  25          HG23      VAL  25   0.339  -5.261  -1.098
  199   3HG2  VAL  25          HG22      VAL  25  -0.264  -4.663   0.447
  200    H    ASP  26           HN       ASP  26   0.662  -0.182   1.333
  201    HA   ASP  26           HA       ASP  26   1.464   1.711  -0.843
  202   1HB   ASP  26           HB2      ASP  26   0.008   2.588   0.941
  203   2HB   ASP  26           HB1      ASP  26   1.216   2.159   2.151
  204    H    PHE  27           HN       PHE  27   3.539   1.676  -1.444
  205    HA   PHE  27           HA       PHE  27   5.636   0.598   0.370
  206   1HB   PHE  27           HB2      PHE  27   5.590   1.281  -2.584
  207   2HB   PHE  27           HB1      PHE  27   7.069   0.826  -1.723
  208    HD1  PHE  27           HD1      PHE  27   7.214  -1.424  -0.605
  209    HD2  PHE  27           HD2      PHE  27   3.981  -0.355  -3.224
  210    HE1  PHE  27           HE1      PHE  27   6.651  -3.825  -0.888
  211    HE2  PHE  27           HE2      PHE  27   3.419  -2.748  -3.491
  212    HZ   PHE  27           HZ       PHE  27   4.747  -4.485  -2.336
  213    H    SER  28           HN       SER  28   4.334   3.338   0.611
  214    HA   SER  28           HA       SER  28   6.149   5.333  -0.252
  215   1HB   SER  28           HB2      SER  28   4.492   5.312   2.288
  216   2HB   SER  28           HB1      SER  28   5.222   6.728   1.550
  217    HG   SER  28           HG       SER  28   2.872   5.917   1.073
  218    H    ALA  29           HN       ALA  29   7.948   6.257   0.687
  219    HA   ALA  29           HA       ALA  29   9.408   4.529   2.578
  220   1HB   ALA  29           HB3      ALA  29  10.067   6.768   0.722
  221   2HB   ALA  29           HB2      ALA  29  11.034   6.708   2.196
  222   3HB   ALA  29           HB1      ALA  29  11.002   5.324   1.102
  223    H    THR  30           HN       THR  30   9.289   4.887   4.740
  224    HA   THR  30           HA       THR  30   7.750   7.081   5.797
  225    HB   THR  30           HB       THR  30   7.995   4.928   6.994
  226    HG1  THR  30           HG1      THR  30   8.116   5.853   8.940
  227   1HG2  THR  30          HG22      THR  30  10.415   4.639   6.270
  228   2HG2  THR  30          HG21      THR  30  10.845   5.765   7.558
  229   3HG2  THR  30          HG23      THR  30  10.071   4.228   7.949
  230    H    TRP  31           HN       TRP  31  11.152   6.490   5.189
  231    HA   TRP  31           HA       TRP  31  12.157   8.757   6.675
  232   1HB   TRP  31           HB2      TRP  31  14.232   8.356   5.472
  233   2HB   TRP  31           HB1      TRP  31  13.543   6.824   5.998
  234    HD1  TRP  31           HD1      TRP  31  12.899   5.106   4.203
  235    HE1  TRP  31           HE1      TRP  31  13.135   5.005   1.638
  236    HE3  TRP  31           HE3      TRP  31  13.992   9.987   3.250
  237    HZ2  TRP  31           HZ2      TRP  31  13.665   6.791  -0.534
  238    HZ3  TRP  31           HZ3      TRP  31  14.326  10.770   0.929
  239    HH2  TRP  31           HH2      TRP  31  14.163   9.184  -0.963
  240    H    CYS  32           HN       CYS  32  10.696   8.426   3.516
  241    HA   CYS  32           HA       CYS  32  11.745  11.020   2.589
  242   1HB   CYS  32           HB2      CYS  32  11.148   8.964   1.108
  243   2HB   CYS  32           HB1      CYS  32   9.475   9.460   1.320
  244    H    GLY  33           HN       GLY  33  10.898  12.839   3.408
  245   1HA   GLY  33           HA2      GLY  33   8.624  12.957   5.079
  246   2HA   GLY  33           HA1      GLY  33   9.368  14.355   4.311
  247    HA   PRO  34           HA       PRO  34   6.211  14.871   1.268
  248   1HB   PRO  34           HB2      PRO  34   7.556  13.300  -0.885
  249   2HB   PRO  34           HB1      PRO  34   7.024  14.988  -0.894
  250   1HG   PRO  34           HG2      PRO  34   9.643  14.300  -0.723
  251   2HG   PRO  34           HG1      PRO  34   8.996  15.758   0.052
  252   1HD   PRO  34           HD2      PRO  34   9.852  13.192   1.304
  253   2HD   PRO  34           HD1      PRO  34   9.819  14.824   2.009
  254    H    ALA  35           HN       ALA  35   7.468  11.551   1.227
  255    HA   ALA  35           HA       ALA  35   4.943  10.415   0.296
  256   1HB   ALA  35           HB1      ALA  35   7.441   9.518   0.114
  257   2HB   ALA  35           HB3      ALA  35   7.046   8.754   1.652
  258   3HB   ALA  35           HB2      ALA  35   6.088   8.397   0.214
  259    H    LYS  36           HN       LYS  36   6.688  10.476   3.428
  260    HA   LYS  36           HA       LYS  36   4.690   9.086   4.922
  261   1HB   LYS  36           HB2      LYS  36   7.031   9.664   5.714
  262   2HB   LYS  36           HB1      LYS  36   6.458  11.313   5.977
  263   1HG   LYS  36           HG2      LYS  36   4.655  10.377   7.463
  264   2HG   LYS  36           HG1      LYS  36   5.411   8.792   7.299
  265   1HD   LYS  36           HD2      LYS  36   7.516   9.695   8.223
  266   2HD   LYS  36           HD1      LYS  36   6.759  11.280   8.393
  267   1HE   LYS  36           HE2      LYS  36   5.083  10.309   9.932
  268   2HE   LYS  36           HE1      LYS  36   5.860   8.733   9.776
  269   1HZ   LYS  36           HZ3      LYS  36   7.576  10.969  10.508
  270   2HZ   LYS  36           HZ2      LYS  36   6.470  10.447  11.689
  271   3HZ   LYS  36           HZ1      LYS  36   7.601   9.359  11.041
  272    H    MET  37           HN       MET  37   5.028  12.410   3.899
  273    HA   MET  37           HA       MET  37   3.042  13.650   5.505
  274   1HB   MET  37           HB2      MET  37   4.690  14.805   3.988
  275   2HB   MET  37           HB1      MET  37   3.716  14.281   2.619
  276   1HG   MET  37           HG2      MET  37   2.999  16.501   3.111
  277   2HG   MET  37           HG1      MET  37   1.742  15.446   3.747
  278   1HE   MET  37           HE1      MET  37   2.572  18.534   4.413
  279   2HE   MET  37           HE3      MET  37   1.088  17.768   4.997
  280   3HE   MET  37           HE2      MET  37   2.159  18.593   6.125
  281    H    ILE  38           HN       ILE  38   2.812  11.663   2.629
  282    HA   ILE  38           HA       ILE  38  -0.013  12.288   2.182
  283    HB   ILE  38           HB       ILE  38   1.763  10.169   0.920
  284   1HG1  ILE  38          HG12      ILE  38   0.849  12.827  -0.221
  285   2HG1  ILE  38          HG11      ILE  38   2.372  12.650   0.644
  286   1HG2  ILE  38          HG22      ILE  38  -1.063  11.097   0.407
  287   2HG2  ILE  38          HG21      ILE  38  -0.081  10.464  -0.912
  288   3HG2  ILE  38          HG23      ILE  38  -0.430   9.452   0.483
  289   1HD1  ILE  38          HD13      ILE  38   2.916  10.762  -0.989
  290   2HD1  ILE  38          HD12      ILE  38   1.541  11.323  -1.938
  291   3HD1  ILE  38          HD11      ILE  38   2.915  12.394  -1.647
  292    H    LYS  39           HN       LYS  39   1.505  10.354   4.455
  293    HA   LYS  39           HA       LYS  39  -0.012   7.971   4.269
  294   1HB   LYS  39           HB2      LYS  39   0.722   7.369   6.405
  295   2HB   LYS  39           HB1      LYS  39   2.006   8.386   5.784
  296   1HG   LYS  39           HG2      LYS  39   1.447  10.185   7.208
  297   2HG   LYS  39           HG1      LYS  39  -0.165   9.568   7.547
  298   1HD   LYS  39           HD2      LYS  39   2.405   8.206   8.393
  299   2HD   LYS  39           HD1      LYS  39   1.442   9.253   9.434
  300   1HE   LYS  39           HE2      LYS  39   0.455   7.273  10.053
  301   2HE   LYS  39           HE1      LYS  39  -0.486   7.505   8.582
  302   1HZ   LYS  39           HZ2      LYS  39   1.808   6.354   7.702
  303   2HZ   LYS  39           HZ1      LYS  39   1.532   5.561   9.179
  304   3HZ   LYS  39           HZ3      LYS  39   0.334   5.548   7.975
  305    HA   PRO  40           HA       PRO  40  -3.226  10.109   7.277
  306   1HB   PRO  40           HB2      PRO  40  -3.657  12.612   5.729
  307   2HB   PRO  40           HB1      PRO  40  -3.557  12.379   7.483
  308   1HG   PRO  40           HG2      PRO  40  -1.580  13.582   6.108
  309   2HG   PRO  40           HG1      PRO  40  -1.241  12.549   7.504
  310   1HD   PRO  40           HD2      PRO  40  -0.945  11.940   4.597
  311   2HD   PRO  40           HD1      PRO  40   0.092  11.429   5.944
  312    H    PHE  41           HN       PHE  41  -3.292  10.905   3.770
  313    HA   PHE  41           HA       PHE  41  -6.121  10.364   3.528
  314   1HB   PHE  41           HB2      PHE  41  -3.838  10.475   1.544
  315   2HB   PHE  41           HB1      PHE  41  -5.466  10.042   1.057
  316    HD1  PHE  41           HD2      PHE  41  -3.502  12.690   2.776
  317    HD2  PHE  41           HD1      PHE  41  -7.102  11.701   0.646
  318    HE1  PHE  41           HE2      PHE  41  -4.105  15.091   2.687
  319    HE2  PHE  41           HE1      PHE  41  -7.707  14.106   0.564
  320    HZ   PHE  41           HZ       PHE  41  -6.211  15.800   1.581
  321    H    PHE  42           HN       PHE  42  -3.198   8.434   2.880
  322    HA   PHE  42           HA       PHE  42  -4.579   6.065   2.054
  323   1HB   PHE  42           HB2      PHE  42  -2.195   6.453   1.616
  324   2HB   PHE  42           HB1      PHE  42  -1.850   6.414   3.349
  325    HD1  PHE  42           HD1      PHE  42  -3.091   4.385   0.485
  326    HD2  PHE  42           HD2      PHE  42  -1.617   4.351   4.519
  327    HE1  PHE  42           HE1      PHE  42  -2.924   1.914   0.403
  328    HE2  PHE  42           HE2      PHE  42  -1.449   1.876   4.436
  329    HZ   PHE  42           HZ       PHE  42  -2.103   0.658   2.377
  330    H    HIS  43           HN       HIS  43  -3.186   6.963   5.197
  331    HA   HIS  43           HA       HIS  43  -4.167   4.670   6.602
  332   1HB   HIS  43           HB2      HIS  43  -2.268   6.029   7.371
  333   2HB   HIS  43           HB1      HIS  43  -3.335   7.411   7.611
  334    HD1  HIS  43           HD1      HIS  43  -2.270   4.200   9.140
  335    HD2  HIS  43           HD2      HIS  43  -5.159   7.117   9.807
  336    HE1  HIS  43           HE1      HIS  43  -3.269   3.706  11.418
  337    H    SER  44           HN       SER  44  -5.507   7.959   6.195
  338    HA   SER  44           HA       SER  44  -7.686   7.653   8.024
  339   1HB   SER  44           HB2      SER  44  -7.484   9.389   5.550
  340   2HB   SER  44           HB1      SER  44  -8.753   9.511   6.764
  341    HG   SER  44           HG       SER  44  -7.353  10.843   7.635
  342    H    LEU  45           HN       LEU  45  -7.361   6.831   4.596
  343    HA   LEU  45           HA       LEU  45 -10.116   6.333   4.111
  344   1HB   LEU  45           HB2      LEU  45  -7.619   5.256   2.818
  345   2HB   LEU  45           HB1      LEU  45  -9.223   4.856   2.233
  346    HG   LEU  45           HG       LEU  45  -8.415   7.739   2.656
  347   1HD1  LEU  45          HD13      LEU  45  -6.718   6.715   1.171
  348   2HD1  LEU  45          HD12      LEU  45  -8.006   6.114   0.126
  349   3HD1  LEU  45          HD11      LEU  45  -7.745   7.849   0.293
  350   1HD2  LEU  45          HD22      LEU  45 -10.543   6.291   1.079
  351   2HD2  LEU  45          HD21      LEU  45 -10.733   7.571   2.273
  352   3HD2  LEU  45          HD23      LEU  45 -10.080   7.941   0.680
  353    H    SER  46           HN       SER  46  -7.778   4.470   5.863
  354    HA   SER  46           HA       SER  46  -8.810   1.867   5.514
  355   1HB   SER  46           HB2      SER  46  -7.771   3.111   8.084
  356   2HB   SER  46           HB1      SER  46  -7.940   1.386   7.775
  357    HG   SER  46           HG       SER  46  -6.096   3.221   6.783
  358    H    GLU  47           HN       GLU  47  -9.994   4.552   7.518
  359    HA   GLU  47           HA       GLU  47 -12.176   2.879   8.611
  360   1HB   GLU  47           HB2      GLU  47 -11.436   5.809   8.927
  361   2HB   GLU  47           HB1      GLU  47 -12.857   5.084   9.673
  362   1HG   GLU  47           HG2      GLU  47 -11.123   5.023  11.320
  363   2HG   GLU  47           HG1      GLU  47 -11.289   3.373  10.720
  364    H    LYS  48           HN       LYS  48 -11.638   4.909   5.844
  365    HA   LYS  48           HA       LYS  48 -14.466   5.643   5.524
  366   1HB   LYS  48           HB2      LYS  48 -12.621   7.042   4.542
  367   2HB   LYS  48           HB1      LYS  48 -12.248   5.708   3.450
  368   1HG   LYS  48           HG2      LYS  48 -14.603   5.804   2.598
  369   2HG   LYS  48           HG1      LYS  48 -14.873   7.220   3.612
  370   1HD   LYS  48           HD2      LYS  48 -13.032   8.394   2.429
  371   2HD   LYS  48           HD1      LYS  48 -12.830   6.987   1.387
  372   1HE   LYS  48           HE2      LYS  48 -15.116   7.230   0.551
  373   2HE   LYS  48           HE1      LYS  48 -15.395   8.583   1.650
  374   1HZ   LYS  48           HZ2      LYS  48 -13.367   8.514  -0.522
  375   2HZ   LYS  48           HZ1      LYS  48 -14.847   9.344  -0.580
  376   3HZ   LYS  48           HZ3      LYS  48 -13.653   9.818   0.529
  377    H    TYR  49           HN       TYR  49 -12.199   3.226   4.355
  378    HA   TYR  49           HA       TYR  49 -14.512   1.648   3.247
  379   1HB   TYR  49           HB2      TYR  49 -11.644   1.760   2.221
  380   2HB   TYR  49           HB1      TYR  49 -12.886   0.659   1.631
  381    HD1  TYR  49           HD2      TYR  49 -15.119   1.760   0.823
  382    HD2  TYR  49           HD1      TYR  49 -11.390   3.863   1.188
  383    HE1  TYR  49           HE2      TYR  49 -15.949   3.500  -0.732
  384    HE2  TYR  49           HE1      TYR  49 -12.226   5.598  -0.371
  385    HH   TYR  49           HH       TYR  49 -14.943   5.196  -2.301
  386    H    SER  50           HN       SER  50 -14.336   1.101   5.695
  387    HA   SER  50           HA       SER  50 -12.139  -0.450   6.661
  388   1HB   SER  50           HB2      SER  50 -13.593  -1.041   8.480
  389   2HB   SER  50           HB1      SER  50 -13.973   0.614   8.048
  390    HG   SER  50           HG       SER  50 -15.769  -0.989   8.317
  391    H    ASN  51           HN       ASN  51 -14.284  -1.039   4.215
  392    HA   ASN  51           HA       ASN  51 -14.586  -3.925   4.554
  393   1HB   ASN  51           HB2      ASN  51 -16.347  -2.921   3.320
  394   2HB   ASN  51           HB1      ASN  51 -15.231  -1.951   2.363
  395   1HD2  ASN  51          HD22      ASN  51 -16.336  -5.507   0.919
  396   2HD2  ASN  51          HD21      ASN  51 -17.143  -4.730   2.194
  397    H    VAL  52           HN       VAL  52 -12.224  -1.765   3.253
  398    HA   VAL  52           HA       VAL  52 -10.907  -4.013   1.802
  399    HB   VAL  52           HB       VAL  52 -10.570  -1.004   1.635
  400   1HG1  VAL  52          HG12      VAL  52  -8.820  -3.247   0.697
  401   2HG1  VAL  52          HG11      VAL  52  -9.076  -1.915  -0.431
  402   3HG1  VAL  52          HG13      VAL  52  -8.389  -1.606   1.161
  403   1HG2  VAL  52          HG23      VAL  52 -11.743  -3.138  -0.164
  404   2HG2  VAL  52          HG22      VAL  52 -12.492  -1.649   0.409
  405   3HG2  VAL  52          HG21      VAL  52 -11.214  -1.584  -0.799
  406    H    ILE  53           HN       ILE  53  -8.684  -4.469   2.291
  407    HA   ILE  53           HA       ILE  53  -7.884  -3.570   5.037
  408    HB   ILE  53           HB       ILE  53  -6.634  -5.742   3.330
  409   1HG1  ILE  53          HG12      ILE  53  -8.978  -6.323   3.591
  410   2HG1  ILE  53          HG11      ILE  53  -8.035  -7.324   4.689
  411   1HG2  ILE  53          HG23      ILE  53  -5.510  -4.704   5.454
  412   2HG2  ILE  53          HG22      ILE  53  -6.707  -5.632   6.342
  413   3HG2  ILE  53          HG21      ILE  53  -5.559  -6.453   5.286
  414   1HD1  ILE  53          HD12      ILE  53  -8.519  -5.480   6.453
  415   2HD1  ILE  53          HD11      ILE  53  -9.782  -4.955   5.342
  416   3HD1  ILE  53          HD13      ILE  53  -9.830  -6.581   6.025
  417    H    PHE  54           HN       PHE  54  -6.417  -1.912   5.114
  418    HA   PHE  54           HA       PHE  54  -4.694  -1.364   2.730
  419   1HB   PHE  54           HB2      PHE  54  -5.267   0.290   5.209
  420   2HB   PHE  54           HB1      PHE  54  -4.210   0.793   3.894
  421    HD1  PHE  54           HD1      PHE  54  -7.710  -0.317   4.614
  422    HD2  PHE  54           HD2      PHE  54  -5.102   1.888   2.008
  423    HE1  PHE  54           HE1      PHE  54  -9.679   0.564   3.385
  424    HE2  PHE  54           HE2      PHE  54  -7.074   2.751   0.770
  425    HZ   PHE  54           HZ       PHE  54  -9.355   2.088   1.458
  426    H    LEU  55           HN       LEU  55  -2.564  -1.936   2.783
  427    HA   LEU  55           HA       LEU  55  -1.289  -2.508   5.441
  428   1HB   LEU  55           HB2      LEU  55  -0.651  -3.631   2.694
  429   2HB   LEU  55           HB1      LEU  55   0.391  -3.852   4.098
  430    HG   LEU  55           HG       LEU  55  -1.386  -5.058   5.266
  431   1HD1  LEU  55          HD11      LEU  55  -3.048  -4.163   2.929
  432   2HD1  LEU  55          HD13      LEU  55  -3.442  -5.681   3.741
  433   3HD1  LEU  55          HD12      LEU  55  -3.430  -4.184   4.651
  434   1HD2  LEU  55          HD22      LEU  55  -0.968  -6.009   2.420
  435   2HD2  LEU  55          HD21      LEU  55   0.048  -6.376   3.812
  436   3HD2  LEU  55          HD23      LEU  55  -1.593  -7.013   3.731
  437    H    GLU  56           HN       GLU  56   0.640  -1.529   5.923
  438    HA   GLU  56           HA       GLU  56   1.607   0.553   3.991
  439   1HB   GLU  56           HB2      GLU  56   0.797   1.346   6.270
  440   2HB   GLU  56           HB1      GLU  56   2.128   0.433   6.981
  441   1HG   GLU  56           HG2      GLU  56   3.725   1.713   5.549
  442   2HG   GLU  56           HG1      GLU  56   2.374   2.680   4.953
  443    H    VAL  57           HN       VAL  57   3.659   0.265   3.219
  444    HA   VAL  57           HA       VAL  57   5.368  -1.831   4.531
  445    HB   VAL  57           HB       VAL  57   5.058  -1.309   1.561
  446   1HG1  VAL  57          HG13      VAL  57   6.541  -3.410   3.156
  447   2HG1  VAL  57          HG12      VAL  57   6.267  -3.496   1.418
  448   3HG1  VAL  57          HG11      VAL  57   7.246  -2.193   2.091
  449   1HG2  VAL  57          HG22      VAL  57   3.905  -3.437   3.376
  450   2HG2  VAL  57          HG21      VAL  57   3.019  -2.285   2.376
  451   3HG2  VAL  57          HG23      VAL  57   3.954  -3.575   1.618
  452    H    ASP  58           HN       ASP  58   7.403  -1.149   4.971
  453    HA   ASP  58           HA       ASP  58   8.280   1.548   4.085
  454   1HB   ASP  58           HB2      ASP  58   8.389   0.751   6.504
  455   2HB   ASP  58           HB1      ASP  58   9.640  -0.377   5.978
  456    H    VAL  59           HN       VAL  59   9.590   1.642   2.267
  457    HA   VAL  59           HA       VAL  59  10.725  -0.768   1.112
  458    HB   VAL  59           HB       VAL  59  11.974   0.822  -0.366
  459   1HG1  VAL  59          HG12      VAL  59   9.044   1.458   0.096
  460   2HG1  VAL  59          HG11      VAL  59   9.949   1.846  -1.367
  461   3HG1  VAL  59          HG13      VAL  59   9.681   0.164  -0.921
  462   1HG2  VAL  59          HG23      VAL  59  12.318   2.579   1.398
  463   2HG2  VAL  59          HG22      VAL  59  11.655   3.223  -0.103
  464   3HG2  VAL  59          HG21      VAL  59  10.603   2.967   1.287
  465    H    ASP  60           HN       ASP  60  11.699   1.409   3.597
  466    HA   ASP  60           HA       ASP  60  14.551   0.621   3.402
  467   1HB   ASP  60           HB2      ASP  60  12.981   2.603   5.032
  468   2HB   ASP  60           HB1      ASP  60  14.608   2.159   5.512
  469    H    ASP  61           HN       ASP  61  11.866   0.237   5.781
  470    HA   ASP  61           HA       ASP  61  13.610  -1.639   7.315
  471   1HB   ASP  61           HB2      ASP  61  10.768  -0.745   7.915
  472   2HB   ASP  61           HB1      ASP  61  11.837  -1.645   8.984
  473    H    ALA  62           HN       ALA  62  11.284  -1.617   4.864
  474    HA   ALA  62           HA       ALA  62  10.825  -4.559   5.168
  475   1HB   ALA  62           HB1      ALA  62   8.864  -2.618   5.318
  476   2HB   ALA  62           HB3      ALA  62   8.806  -3.041   3.608
  477   3HB   ALA  62           HB2      ALA  62   8.568  -4.287   4.836
  478    H    GLN  63           HN       GLN  63  13.004  -3.281   3.847
  479    HA   GLN  63           HA       GLN  63  12.648  -2.883   1.063
  480   1HB   GLN  63           HB2      GLN  63  15.056  -3.210   0.880
  481   2HB   GLN  63           HB1      GLN  63  14.715  -2.299   2.351
  482   1HG   GLN  63           HG2      GLN  63  14.720  -4.544   3.574
  483   2HG   GLN  63           HG1      GLN  63  15.416  -5.229   2.104
  484   1HE2  GLN  63          HE22      GLN  63  17.821  -3.293   4.653
  485   2HE2  GLN  63          HE21      GLN  63  16.242  -3.777   5.043
  486    H    ASP  64           HN       ASP  64  12.762  -5.821   2.947
  487    HA   ASP  64           HA       ASP  64  13.426  -7.580   0.779
  488   1HB   ASP  64           HB2      ASP  64  12.304  -9.325   2.236
  489   2HB   ASP  64           HB1      ASP  64  13.597  -8.431   3.023
  490    H    VAL  65           HN       VAL  65  10.393  -6.240   2.038
  491    HA   VAL  65           HA       VAL  65   8.668  -7.770   0.314
  492    HB   VAL  65           HB       VAL  65   8.039  -4.990   1.332
  493   1HG1  VAL  65          HG12      VAL  65   6.399  -7.499   0.887
  494   2HG1  VAL  65          HG11      VAL  65   5.770  -5.975   1.516
  495   3HG1  VAL  65          HG13      VAL  65   6.398  -6.057  -0.130
  496   1HG2  VAL  65          HG21      VAL  65   8.206  -7.565   2.892
  497   2HG2  VAL  65          HG23      VAL  65   8.900  -5.998   3.290
  498   3HG2  VAL  65          HG22      VAL  65   7.159  -6.244   3.396
  499    H    ALA  66           HN       ALA  66  10.069  -4.499   0.088
  500    HA   ALA  66           HA       ALA  66   8.838  -3.908  -2.452
  501   1HB   ALA  66           HB2      ALA  66   9.841  -2.299  -0.641
  502   2HB   ALA  66           HB1      ALA  66  11.354  -2.551  -1.516
  503   3HB   ALA  66           HB3      ALA  66   9.955  -1.867  -2.346
  504    H    SER  67           HN       SER  67  12.001  -5.201  -1.511
  505    HA   SER  67           HA       SER  67  13.257  -4.994  -4.050
  506   1HB   SER  67           HB2      SER  67  14.771  -6.742  -3.254
  507   2HB   SER  67           HB1      SER  67  14.440  -5.608  -1.948
  508    HG   SER  67           HG       SER  67  13.946  -7.413  -0.948
  509    H    GLU  68           HN       GLU  68  11.099  -7.464  -2.732
  510    HA   GLU  68           HA       GLU  68  11.379  -9.357  -4.857
  511   1HB   GLU  68           HB2      GLU  68  10.271  -9.785  -2.641
  512   2HB   GLU  68           HB1      GLU  68   8.910  -8.807  -3.184
  513   1HG   GLU  68           HG2      GLU  68   9.905 -11.183  -4.768
  514   2HG   GLU  68           HG1      GLU  68   8.698 -11.350  -3.492
  515    H    ALA  69           HN       ALA  69   9.291  -6.545  -4.411
  516    HA   ALA  69           HA       ALA  69   7.882  -7.011  -6.937
  517   1HB   ALA  69           HB3      ALA  69   6.845  -5.987  -4.869
  518   2HB   ALA  69           HB2      ALA  69   7.814  -4.548  -5.186
  519   3HB   ALA  69           HB1      ALA  69   6.600  -5.068  -6.352
  520    H    GLU  70           HN       GLU  70  10.909  -5.800  -6.262
  521    HA   GLU  70           HA       GLU  70  12.380  -4.409  -7.452
  522   1HB   GLU  70           HB2      GLU  70  10.459  -5.177  -9.667
  523   2HB   GLU  70           HB1      GLU  70  11.952  -4.282  -9.935
  524   1HG   GLU  70           HG2      GLU  70  12.506  -6.556 -10.327
  525   2HG   GLU  70           HG1      GLU  70  13.146  -6.189  -8.727
  526    H    VAL  71           HN       VAL  71  10.601  -2.930  -5.955
  527    HA   VAL  71           HA       VAL  71   9.056  -1.067  -7.479
  528    HB   VAL  71           HB       VAL  71  10.466  -0.529  -4.840
  529   1HG1  VAL  71          HG12      VAL  71   8.050   0.648  -6.249
  530   2HG1  VAL  71          HG11      VAL  71   8.411   0.942  -4.550
  531   3HG1  VAL  71          HG13      VAL  71   9.541   1.475  -5.797
  532   1HG2  VAL  71          HG23      VAL  71   7.834  -1.924  -5.464
  533   2HG2  VAL  71          HG22      VAL  71   9.202  -2.573  -4.563
  534   3HG2  VAL  71          HG21      VAL  71   8.223  -1.277  -3.870
  535    H    LYS  72           HN       LYS  72   9.686   0.724  -8.609
  536    HA   LYS  72           HA       LYS  72  12.603   1.332  -8.695
  537   1HB   LYS  72           HB2      LYS  72  10.396   1.899 -10.688
  538   2HB   LYS  72           HB1      LYS  72  12.087   2.346 -10.902
  539   1HG   LYS  72           HG2      LYS  72  11.312  -0.528 -10.352
  540   2HG   LYS  72           HG1      LYS  72  11.251   0.120 -11.989
  541   1HD   LYS  72           HD2      LYS  72  13.672   0.859 -11.659
  542   2HD   LYS  72           HD1      LYS  72  13.673  -0.100 -10.181
  543   1HE   LYS  72           HE2      LYS  72  14.555  -1.469 -11.974
  544   2HE   LYS  72           HE1      LYS  72  12.960  -2.085 -11.543
  545   1HZ   LYS  72           HZ3      LYS  72  13.175  -0.051 -13.649
  546   2HZ   LYS  72           HZ2      LYS  72  13.590  -1.656 -14.019
  547   3HZ   LYS  72           HZ1      LYS  72  12.029  -1.286 -13.457
  548    H    ALA  73           HN       ALA  73   9.620   2.576  -7.589
  549    HA   ALA  73           HA       ALA  73  10.933   5.057  -6.795
  550   1HB   ALA  73           HB2      ALA  73  10.105   5.301  -9.257
  551   2HB   ALA  73           HB1      ALA  73   8.506   5.447  -8.525
  552   3HB   ALA  73           HB3      ALA  73   9.779   6.595  -8.110
  553    H    THR  74           HN       THR  74   9.671   6.295  -5.299
  554    HA   THR  74           HA       THR  74   7.186   4.963  -4.296
  555    HB   THR  74           HB       THR  74   7.909   5.373  -2.006
  556    HG1  THR  74           HG1      THR  74  10.273   6.250  -2.070
  557   1HG2  THR  74          HG21      THR  74  10.173   4.258  -3.648
  558   2HG2  THR  74          HG23      THR  74  10.038   4.116  -1.898
  559   3HG2  THR  74          HG22      THR  74   8.837   3.351  -2.940
  560    HA   PRO  75           HA       PRO  75   5.819   5.599  -2.521
  561   1HB   PRO  75           HB2      PRO  75   3.248   6.609  -2.499
  562   2HB   PRO  75           HB1      PRO  75   4.501   7.030  -1.328
  563   1HG   PRO  75           HG2      PRO  75   3.403   8.663  -3.539
  564   2HG   PRO  75           HG1      PRO  75   4.227   9.175  -2.059
  565   1HD   PRO  75           HD2      PRO  75   5.357   9.043  -4.687
  566   2HD   PRO  75           HD1      PRO  75   6.230   9.372  -3.163
  567    H    THR  76           HN       THR  76   4.805   3.747  -3.212
  568    HA   THR  76           HA       THR  76   3.387   3.816  -5.845
  569    HB   THR  76           HB       THR  76   5.323   1.677  -4.926
  570    HG1  THR  76           HG1      THR  76   6.239   2.522  -7.058
  571   1HG2  THR  76          HG22      THR  76   3.536   1.952  -7.352
  572   2HG2  THR  76          HG21      THR  76   4.931   0.872  -7.321
  573   3HG2  THR  76          HG23      THR  76   3.596   0.623  -6.196
  574    H    PHE  77           HN       PHE  77   1.497   2.812  -5.834
  575    HA   PHE  77           HA       PHE  77   0.698   1.305  -3.372
  576   1HB   PHE  77           HB2      PHE  77  -1.010   2.753  -5.423
  577   2HB   PHE  77           HB1      PHE  77  -1.601   1.950  -3.965
  578    HD1  PHE  77           HD1      PHE  77  -1.028   2.851  -1.707
  579    HD2  PHE  77           HD2      PHE  77   0.089   4.888  -5.326
  580    HE1  PHE  77           HE1      PHE  77  -0.596   4.919  -0.409
  581    HE2  PHE  77           HE2      PHE  77   0.526   6.958  -4.026
  582    HZ   PHE  77           HZ       PHE  77   0.180   6.976  -1.568
  583    H    GLN  78           HN       GLN  78   0.185  -0.819  -3.629
  584    HA   GLN  78           HA       GLN  78  -0.285  -1.850  -6.414
  585   1HB   GLN  78           HB2      GLN  78   1.227  -3.119  -4.120
  586   2HB   GLN  78           HB1      GLN  78   0.736  -3.996  -5.568
  587   1HG   GLN  78           HG2      GLN  78   1.963  -2.258  -6.924
  588   2HG   GLN  78           HG1      GLN  78   2.598  -1.609  -5.415
  589   1HE2  GLN  78          HE22      GLN  78   5.299  -3.853  -6.016
  590   2HE2  GLN  78          HE21      GLN  78   4.807  -2.230  -6.079
  591    H    PHE  79           HN       PHE  79  -1.994  -3.183  -6.656
  592    HA   PHE  79           HA       PHE  79  -3.751  -3.550  -4.252
  593   1HB   PHE  79           HB2      PHE  79  -4.375  -3.531  -7.218
  594   2HB   PHE  79           HB1      PHE  79  -5.558  -3.839  -5.939
  595    HD1  PHE  79           HD2      PHE  79  -3.133  -1.352  -7.250
  596    HD2  PHE  79           HD1      PHE  79  -6.469  -2.053  -4.647
  597    HE1  PHE  79           HE2      PHE  79  -3.336   1.085  -6.859
  598    HE2  PHE  79           HE1      PHE  79  -6.673   0.380  -4.243
  599    HZ   PHE  79           HZ       PHE  79  -5.113   1.948  -5.349
  600    H    PHE  80           HN       PHE  80  -4.202  -5.543  -3.558
  601    HA   PHE  80           HA       PHE  80  -3.511  -7.875  -5.287
  602   1HB   PHE  80           HB2      PHE  80  -2.970  -7.482  -2.343
  603   2HB   PHE  80           HB1      PHE  80  -2.932  -9.063  -3.118
  604    HD1  PHE  80           HD2      PHE  80  -1.277  -5.763  -2.869
  605    HD2  PHE  80           HD1      PHE  80  -1.185  -9.659  -4.693
  606    HE1  PHE  80           HE2      PHE  80   1.058  -5.375  -3.596
  607    HE2  PHE  80           HE1      PHE  80   1.153  -9.262  -5.419
  608    HZ   PHE  80           HZ       PHE  80   2.274  -7.118  -4.869
  609    H    LYS  81           HN       LYS  81  -4.958  -9.624  -5.167
  610    HA   LYS  81           HA       LYS  81  -7.221  -9.423  -3.252
  611   1HB   LYS  81           HB2      LYS  81  -7.794  -8.190  -5.442
  612   2HB   LYS  81           HB1      LYS  81  -7.730  -9.767  -6.226
  613   1HG   LYS  81           HG2      LYS  81  -9.384 -10.545  -4.410
  614   2HG   LYS  81           HG1      LYS  81  -9.610  -8.836  -4.048
  615   1HD   LYS  81           HD2      LYS  81  -9.960  -9.964  -6.840
  616   2HD   LYS  81           HD1      LYS  81 -11.282  -9.853  -5.685
  617   1HE   LYS  81           HE2      LYS  81 -10.860  -7.402  -5.480
  618   2HE   LYS  81           HE1      LYS  81  -9.620  -7.537  -6.726
  619   1HZ   LYS  81           HZ3      LYS  81 -11.735  -8.783  -7.851
  620   2HZ   LYS  81           HZ2      LYS  81 -12.485  -7.529  -6.984
  621   3HZ   LYS  81           HZ1      LYS  81 -11.289  -7.171  -8.136
  622    H    LYS  82           HN       LYS  82  -7.620 -11.467  -2.505
  623    HA   LYS  82           HA       LYS  82  -7.406 -13.785  -2.253
  624   1HB   LYS  82           HB2      LYS  82  -7.528 -13.683  -5.290
  625   2HB   LYS  82           HB1      LYS  82  -7.616 -15.157  -4.331
  626   1HG   LYS  82           HG2      LYS  82  -9.578 -14.030  -3.099
  627   2HG   LYS  82           HG1      LYS  82  -9.593 -12.878  -4.434
  628   1HD   LYS  82           HD2      LYS  82  -9.684 -14.899  -5.995
  629   2HD   LYS  82           HD1      LYS  82 -10.015 -15.870  -4.561
  630   1HE   LYS  82           HE2      LYS  82 -11.968 -14.394  -4.066
  631   2HE   LYS  82           HE1      LYS  82 -11.670 -13.545  -5.585
  632   1HZ   LYS  82           HZ2      LYS  82 -11.950 -16.476  -5.548
  633   2HZ   LYS  82           HZ1      LYS  82 -13.333 -15.488  -5.552
  634   3HZ   LYS  82           HZ3      LYS  82 -12.217 -15.393  -6.827
  635    H    GLY  83           HN       GLY  83  -5.017 -12.029  -2.543
  636   1HA   GLY  83           HA2      GLY  83  -2.707 -12.444  -2.392
  637   2HA   GLY  83           HA1      GLY  83  -3.035 -14.147  -2.717
  638    H    GLN  84           HN       GLN  84  -4.293 -11.706  -4.876
  639    HA   GLN  84           HA       GLN  84  -2.163 -12.360  -6.862
  640   1HB   GLN  84           HB2      GLN  84  -5.156 -12.256  -7.295
  641   2HB   GLN  84           HB1      GLN  84  -3.989 -12.264  -8.615
  642   1HG   GLN  84           HG2      GLN  84  -4.061 -14.399  -6.468
  643   2HG   GLN  84           HG1      GLN  84  -4.932 -14.540  -7.995
  644   1HE2  GLN  84          HE22      GLN  84  -1.175 -13.990  -9.178
  645   2HE2  GLN  84          HE21      GLN  84  -2.223 -12.741  -8.686
  646    H    LYS  85           HN       LYS  85  -1.355 -10.624  -7.994
  647    HA   LYS  85           HA       LYS  85  -2.208  -7.947  -7.160
  648   1HB   LYS  85           HB2      LYS  85   0.180  -8.510  -7.582
  649   2HB   LYS  85           HB1      LYS  85  -0.210  -8.758  -9.284
  650   1HG   LYS  85           HG2      LYS  85  -1.015  -6.415  -9.429
  651   2HG   LYS  85           HG1      LYS  85  -0.603  -6.178  -7.735
  652   1HD   LYS  85           HD2      LYS  85   1.292  -5.317  -8.803
  653   2HD   LYS  85           HD1      LYS  85   1.792  -6.972  -8.470
  654   1HE   LYS  85           HE2      LYS  85   0.522  -6.167 -11.104
  655   2HE   LYS  85           HE1      LYS  85   2.258  -6.099 -10.832
  656   1HZ   LYS  85           HZ2      LYS  85   1.878  -8.523 -10.006
  657   2HZ   LYS  85           HZ1      LYS  85   0.492  -8.432 -10.987
  658   3HZ   LYS  85           HZ3      LYS  85   2.028  -8.191 -11.667
  659    H    VAL  86           HN       VAL  86  -3.678  -6.710  -8.193
  660    HA   VAL  86           HA       VAL  86  -4.433  -7.422 -11.007
  661    HB   VAL  86           HB       VAL  86  -6.733  -6.641 -10.408
  662   1HG1  VAL  86          HG12      VAL  86  -5.965  -9.070 -10.315
  663   2HG1  VAL  86          HG11      VAL  86  -5.800  -8.856  -8.570
  664   3HG1  VAL  86          HG13      VAL  86  -7.379  -8.678  -9.338
  665   1HG2  VAL  86          HG22      VAL  86  -6.023  -5.248  -8.458
  666   2HG2  VAL  86          HG21      VAL  86  -7.305  -6.385  -8.046
  667   3HG2  VAL  86          HG23      VAL  86  -5.642  -6.729  -7.577
  668    H    GLY  87           HN       GLY  87  -2.874  -5.086  -9.255
  669   1HA   GLY  87           HA2      GLY  87  -3.084  -3.147 -11.351
  670   2HA   GLY  87           HA1      GLY  87  -4.173  -2.677 -10.052
  671    H    GLU  88           HN       GLU  88  -1.872  -1.216 -10.939
  672    HA   GLU  88           HA       GLU  88  -0.610  -0.725  -8.376
  673   1HB   GLU  88           HB2      GLU  88   0.804  -2.580  -8.962
  674   2HB   GLU  88           HB1      GLU  88   0.997  -1.988 -10.607
  675   1HG   GLU  88           HG2      GLU  88   1.896  -0.339  -8.242
  676   2HG   GLU  88           HG1      GLU  88   2.936  -1.585  -8.925
  677    H    PHE  89           HN       PHE  89   0.457   1.277  -8.344
  678    HA   PHE  89           HA       PHE  89   1.038   2.702 -10.792
  679   1HB   PHE  89           HB2      PHE  89  -0.665   4.326 -10.833
  680   2HB   PHE  89           HB1      PHE  89  -1.514   2.809 -10.580
  681    HD1  PHE  89           HD1      PHE  89  -0.122   5.773  -8.772
  682    HD2  PHE  89           HD2      PHE  89  -2.896   2.502  -8.689
  683    HE1  PHE  89           HE1      PHE  89  -1.167   6.709  -6.724
  684    HE2  PHE  89           HE2      PHE  89  -3.933   3.433  -6.645
  685    HZ   PHE  89           HZ       PHE  89  -3.080   5.538  -5.659
  686    H    SER  90           HN       SER  90   1.977   4.802 -10.387
  687    HA   SER  90           HA       SER  90   2.866   5.208  -7.556
  688   1HB   SER  90           HB2      SER  90   5.041   5.932  -8.427
  689   2HB   SER  90           HB1      SER  90   4.708   4.262  -8.890
  690    HG   SER  90           HG       SER  90   5.388   6.111 -10.502
  691    H    GLY  91           HN       GLY  91   3.515   7.400  -7.075
  692   1HA   GLY  91           HA2      GLY  91   3.588   9.755  -7.997
  693   2HA   GLY  91           HA1      GLY  91   2.035   9.410  -8.745
  694    H    ALA  92           HN       ALA  92   2.916  11.348  -6.562
  695    HA   ALA  92           HA       ALA  92   1.568  10.440  -4.153
  696   1HB   ALA  92           HB3      ALA  92   2.551  13.122  -5.135
  697   2HB   ALA  92           HB2      ALA  92   1.755  12.929  -3.579
  698   3HB   ALA  92           HB1      ALA  92   3.278  12.098  -3.902
  699    H    ASN  93           HN       ASN  93  -0.413   9.825  -5.703
  700    HA   ASN  93           HA       ASN  93  -2.287  12.181  -5.750
  701   1HB   ASN  93           HB2      ASN  93  -1.656  11.179  -8.010
  702   2HB   ASN  93           HB1      ASN  93  -2.513   9.729  -7.496
  703   1HD2  ASN  93          HD22      ASN  93  -5.239  12.650  -7.169
  704   2HD2  ASN  93          HD21      ASN  93  -3.997  12.405  -6.041
  705    H    LYS  94           HN       LYS  94  -3.204  11.816  -3.719
  706    HA   LYS  94           HA       LYS  94  -3.915   9.202  -2.727
  707   1HB   LYS  94           HB2      LYS  94  -5.271  10.548  -1.096
  708   2HB   LYS  94           HB1      LYS  94  -3.562  10.961  -1.165
  709   1HG   LYS  94           HG2      LYS  94  -5.194  12.527  -3.072
  710   2HG   LYS  94           HG1      LYS  94  -5.701  12.765  -1.403
  711   1HD   LYS  94           HD2      LYS  94  -3.298  13.238  -0.817
  712   2HD   LYS  94           HD1      LYS  94  -2.926  13.190  -2.543
  713   1HE   LYS  94           HE2      LYS  94  -4.684  14.953  -2.892
  714   2HE   LYS  94           HE1      LYS  94  -4.841  15.065  -1.138
  715   1HZ   LYS  94           HZ2      LYS  94  -2.418  15.537  -1.065
  716   2HZ   LYS  94           HZ1      LYS  94  -2.422  15.625  -2.763
  717   3HZ   LYS  94           HZ3      LYS  94  -3.327  16.736  -1.855
  718    H    GLU  95           HN       GLU  95  -5.713  11.618  -4.619
  719    HA   GLU  95           HA       GLU  95  -8.319  10.516  -4.197
  720   1HB   GLU  95           HB2      GLU  95  -7.222  11.988  -6.617
  721   2HB   GLU  95           HB1      GLU  95  -8.928  11.742  -6.252
  722   1HG   GLU  95           HG2      GLU  95  -7.002  13.181  -4.409
  723   2HG   GLU  95           HG1      GLU  95  -8.063  14.001  -5.553
  724    H    LYS  96           HN       LYS  96  -5.668   9.676  -6.289
  725    HA   LYS  96           HA       LYS  96  -7.013   8.029  -8.171
  726   1HB   LYS  96           HB2      LYS  96  -4.618   8.857  -8.195
  727   2HB   LYS  96           HB1      LYS  96  -4.240   7.576  -7.056
  728   1HG   LYS  96           HG2      LYS  96  -4.702   5.869  -8.606
  729   2HG   LYS  96           HG1      LYS  96  -5.626   6.944  -9.659
  730   1HD   LYS  96           HD2      LYS  96  -3.562   8.191 -10.196
  731   2HD   LYS  96           HD1      LYS  96  -2.636   7.093  -9.170
  732   1HE   LYS  96           HE2      LYS  96  -3.288   5.190 -10.587
  733   2HE   LYS  96           HE1      LYS  96  -4.265   6.260 -11.593
  734   1HZ   LYS  96           HZ2      LYS  96  -1.351   6.608 -11.163
  735   2HZ   LYS  96           HZ1      LYS  96  -2.016   5.778 -12.488
  736   3HZ   LYS  96           HZ3      LYS  96  -2.332   7.430 -12.277
  737    H    LEU  97           HN       LEU  97  -5.807   7.381  -4.919
  738    HA   LEU  97           HA       LEU  97  -6.091   4.547  -4.899
  739   1HB   LEU  97           HB2      LEU  97  -6.413   6.661  -2.758
  740   2HB   LEU  97           HB1      LEU  97  -6.563   4.950  -2.395
  741    HG   LEU  97           HG       LEU  97  -4.133   6.194  -3.696
  742   1HD1  LEU  97          HD11      LEU  97  -4.680   5.483  -0.802
  743   2HD1  LEU  97          HD13      LEU  97  -3.103   5.951  -1.436
  744   3HD1  LEU  97          HD12      LEU  97  -4.440   7.102  -1.448
  745   1HD2  LEU  97          HD23      LEU  97  -4.879   3.426  -2.749
  746   2HD2  LEU  97          HD22      LEU  97  -3.994   3.910  -4.195
  747   3HD2  LEU  97          HD21      LEU  97  -3.204   3.941  -2.630
  748    H    GLU  98           HN       GLU  98  -8.321   7.178  -4.296
  749    HA   GLU  98           HA       GLU  98 -10.523   5.630  -3.371
  750   1HB   GLU  98           HB2      GLU  98 -10.300   8.127  -3.237
  751   2HB   GLU  98           HB1      GLU  98 -10.658   8.205  -4.961
  752   1HG   GLU  98           HG2      GLU  98 -12.509   6.796  -3.033
  753   2HG   GLU  98           HG1      GLU  98 -12.630   8.529  -3.326
  754    H    ALA  99           HN       ALA  99  -9.701   6.662  -6.683
  755    HA   ALA  99           HA       ALA  99 -12.077   5.521  -7.829
  756   1HB   ALA  99           HB1      ALA  99 -10.758   7.252  -8.981
  757   2HB   ALA  99           HB3      ALA  99  -9.413   6.123  -9.140
  758   3HB   ALA  99           HB2      ALA  99 -10.925   5.815  -9.990
  759    H    THR 100           HN       THR 100  -8.761   4.218  -7.547
  760    HA   THR 100           HA       THR 100  -9.350   1.827  -9.013
  761    HB   THR 100           HB       THR 100  -7.266   2.111  -6.837
  762    HG1  THR 100           HG1      THR 100  -6.645   3.667  -8.141
  763   1HG2  THR 100          HG22      THR 100  -7.512   0.387  -9.319
  764   2HG2  THR 100          HG21      THR 100  -6.085   0.456  -8.286
  765   3HG2  THR 100          HG23      THR 100  -7.606  -0.166  -7.647
  766    H    ILE 101           HN       ILE 101  -9.535   2.574  -5.543
  767    HA   ILE 101           HA       ILE 101 -10.128  -0.075  -4.615
  768    HB   ILE 101           HB       ILE 101 -10.917   2.675  -3.593
  769   1HG1  ILE 101          HG12      ILE 101  -9.018   0.667  -2.357
  770   2HG1  ILE 101          HG11      ILE 101  -8.475   1.813  -3.581
  771   1HG2  ILE 101          HG23      ILE 101 -11.549  -0.068  -2.512
  772   2HG2  ILE 101          HG22      ILE 101 -11.367   1.305  -1.419
  773   3HG2  ILE 101          HG21      ILE 101 -12.610   1.330  -2.667
  774   1HD1  ILE 101          HD13      ILE 101  -9.311   3.680  -2.174
  775   2HD1  ILE 101          HD12      ILE 101  -9.793   2.516  -0.941
  776   3HD1  ILE 101          HD11      ILE 101  -8.086   2.725  -1.337
  777    H    ASN 102           HN       ASN 102 -12.268   2.612  -5.548
  778    HA   ASN 102           HA       ASN 102 -14.730   1.214  -5.279
  779   1HB   ASN 102           HB2      ASN 102 -14.510   3.692  -5.597
  780   2HB   ASN 102           HB1      ASN 102 -14.048   3.397  -7.278
  781   1HD2  ASN 102          HD22      ASN 102 -17.924   3.558  -6.395
  782   2HD2  ASN 102          HD21      ASN 102 -16.687   4.168  -5.404
  783    H    GLU 103           HN       GLU 103 -12.402   1.439  -7.884
  784    HA   GLU 103           HA       GLU 103 -13.974   0.152  -9.902
  785   1HB   GLU 103           HB2      GLU 103 -11.856   1.552 -10.174
  786   2HB   GLU 103           HB1      GLU 103 -10.961   0.135  -9.643
  787   1HG   GLU 103           HG2      GLU 103 -12.898   0.038 -11.967
  788   2HG   GLU 103           HG1      GLU 103 -11.182   0.399 -12.169
  789    H    LEU 104           HN       LEU 104 -11.656  -1.077  -7.492
  790    HA   LEU 104           HA       LEU 104 -12.147  -3.859  -8.419
  791   1HB   LEU 104           HB2      LEU 104 -10.187  -2.683  -6.446
  792   2HB   LEU 104           HB1      LEU 104 -10.329  -4.410  -6.758
  793    HG   LEU 104           HG       LEU 104  -9.710  -2.314  -8.857
  794   1HD1  LEU 104          HD13      LEU 104  -7.895  -4.237  -7.392
  795   2HD1  LEU 104          HD12      LEU 104  -7.411  -3.246  -8.768
  796   3HD1  LEU 104          HD11      LEU 104  -7.886  -2.482  -7.252
  797   1HD2  LEU 104          HD21      LEU 104 -10.050  -5.309  -8.892
  798   2HD2  LEU 104          HD23      LEU 104 -10.576  -4.115 -10.079
  799   3HD2  LEU 104          HD22      LEU 104  -8.881  -4.577  -9.993
  800    H    VAL 105           HN       VAL 105 -13.532  -1.766  -6.145
  801    HA   VAL 105           HA       VAL 105 -13.795  -3.585  -3.934
  802    HB   VAL 105           HB       VAL 105 -14.309  -1.060  -3.922
  803   1HG1  VAL 105          HG12      VAL 105 -15.960  -1.399  -5.913
  804   2HG1  VAL 105          HG11      VAL 105 -17.102  -1.907  -4.675
  805   3HG1  VAL 105          HG13      VAL 105 -16.414  -0.285  -4.625
  806   1HG2  VAL 105          HG21      VAL 105 -14.749  -2.587  -2.021
  807   2HG2  VAL 105          HG23      VAL 105 -15.988  -1.339  -2.144
  808   3HG2  VAL 105          HG22      VAL 105 -16.326  -2.975  -2.708
  809    HA   PRO  59           HA       PRO 106  12.828  15.946 -15.050
  810   1HB   PRO  59           HB2      PRO 106  15.431  14.739 -14.178
  811   2HB   PRO  59           HB1      PRO 106  14.526  14.499 -15.688
  812   1HG   PRO  59           HG2      PRO 106  16.705  16.035 -15.618
  813   2HG   PRO  59           HG1      PRO 106  15.308  16.463 -16.625
  814   1HD   PRO  59           HD2      PRO 106  16.212  17.687 -14.044
  815   2HD   PRO  59           HD1      PRO 106  15.383  18.446 -15.424
  816    H    ALA  60           HN       ALA 107  14.487  16.335 -11.946
  817    HA   ALA  60           HA       ALA 107  13.289  13.962 -10.756
  818   1HB   ALA  60           HB2      ALA 107  14.570  16.393  -9.472
  819   2HB   ALA  60           HB1      ALA 107  14.146  14.902  -8.628
  820   3HB   ALA  60           HB3      ALA 107  15.387  14.885  -9.879
  821    H    THR  61           HN       THR 108  11.292  13.796  -9.855
  822    HA   THR  61           HA       THR 108   9.637  16.284  -9.607
  823    HB   THR  61           HB       THR 108   8.686  13.407  -9.624
  824    HG1  THR  61           HG1      THR 108   8.583  13.530 -11.754
  825   1HG2  THR  61          HG21      THR 108   7.216  15.255  -8.709
  826   2HG2  THR  61          HG23      THR 108   7.244  15.974 -10.314
  827   3HG2  THR  61          HG22      THR 108   6.533  14.376 -10.072
  828    H    LEU  62           HN       LEU 109   8.989  16.931  -7.589
  829    HA   LEU  62           HA       LEU 109  10.001  15.635  -5.222
  830   1HB   LEU  62           HB2      LEU 109   7.908  17.785  -5.617
  831   2HB   LEU  62           HB1      LEU 109   8.445  17.249  -4.027
  832    HG   LEU  62           HG       LEU 109  10.429  18.175  -6.113
  833   1HD1  LEU  62          HD11      LEU 109   8.912  19.876  -4.113
  834   2HD1  LEU  62          HD13      LEU 109  10.336  20.415  -5.004
  835   3HD1  LEU  62          HD12      LEU 109   8.855  20.012  -5.872
  836   1HD2  LEU  62          HD23      LEU 109  10.426  17.911  -3.089
  837   2HD2  LEU  62          HD22      LEU 109  11.475  17.090  -4.243
  838   3HD2  LEU  62          HD21      LEU 109  11.662  18.815  -3.959
  839    H    LYS  63           HN       LYS 110   7.000  15.469  -6.982
  840    HA   LYS  63           HA       LYS 110   5.361  14.255  -5.000
  841   1HB   LYS  63           HB2      LYS 110   5.350  13.820  -8.007
  842   2HB   LYS  63           HB1      LYS 110   4.017  13.463  -6.914
  843   1HG   LYS  63           HG2      LYS 110   5.188  16.240  -7.077
  844   2HG   LYS  63           HG1      LYS 110   3.954  15.709  -8.211
  845   1HD   LYS  63           HD2      LYS 110   2.472  15.149  -6.284
  846   2HD   LYS  63           HD1      LYS 110   3.695  15.799  -5.192
  847   1HE   LYS  63           HE2      LYS 110   2.312  17.335  -7.404
  848   2HE   LYS  63           HE1      LYS 110   1.993  17.503  -5.677
  849   1HZ   LYS  63           HZ1      LYS 110   4.632  17.966  -6.957
  850   2HZ   LYS  63           HZ3      LYS 110   3.537  19.194  -6.547
  851   3HZ   LYS  63           HZ2      LYS 110   4.236  18.236  -5.329
  852    H    ILE  64           HN       ILE 111   8.151  13.112  -6.537
  853    HA   ILE  64           HA       ILE 111   7.579  10.279  -5.697
  854    HB   ILE  64           HB       ILE 111   9.049  11.275  -8.164
  855   1HG1  ILE  64          HG12      ILE 111   6.626  11.247  -8.444
  856   2HG1  ILE  64          HG11      ILE 111   7.344   9.939  -9.378
  857   1HG2  ILE  64          HG21      ILE 111   8.893   8.529  -6.924
  858   2HG2  ILE  64          HG23      ILE 111   9.217   8.762  -8.644
  859   3HG2  ILE  64          HG22      ILE 111  10.322   9.426  -7.439
  860   1HD1  ILE  64          HD11      ILE 111   6.877   8.572  -7.112
  861   2HD1  ILE  64          HD13      ILE 111   5.640   9.811  -6.930
  862   3HD1  ILE  64          HD12      ILE 111   5.643   8.767  -8.349
  863    H    CYS  65           HN       CYS 112   9.286   9.273  -4.562
  864    HA   CYS  65           HA       CYS 112  11.672  10.975  -3.979
  865   1HB   CYS  65           HB2      CYS 112  10.931   8.379  -2.595
  866   2HB   CYS  65           HB1      CYS 112  12.071   9.598  -2.045
  867    H    SER  66           HN       SER 113  13.639  10.375  -4.872
  868    HA   SER  66           HA       SER 113  13.652   8.119  -6.739
  869   1HB   SER  66           HB2      SER 113  15.874  10.012  -5.903
  870   2HB   SER  66           HB1      SER 113  15.948   8.880  -7.251
  871    HG   SER  66           HG       SER 113  15.266  11.162  -7.663
  872    H    TRP  67           HN       TRP 114  14.881   6.199  -6.555
  873    HA   TRP  67           HA       TRP 114  15.546   5.357  -3.824
  874   1HB   TRP  67           HB2      TRP 114  15.755   3.950  -6.504
  875   2HB   TRP  67           HB1      TRP 114  16.233   3.208  -4.973
  876    HD1  TRP  67           HD1      TRP 114  13.157   5.199  -6.196
  877    HE1  TRP  67           HE1      TRP 114  11.049   4.032  -5.288
  878    HE3  TRP  67           HE3      TRP 114  15.294   1.324  -3.678
  879    HZ2  TRP  67           HZ2      TRP 114  10.382   1.776  -3.672
  880    HZ3  TRP  67           HZ3      TRP 114  13.911  -0.314  -2.462
  881    HH2  TRP  67           HH2      TRP 114  11.446  -0.100  -2.466
  882    H    ASN  68           HN       ASN 115  17.184   6.843  -6.418
  883    HA   ASN  68           HA       ASN 115  19.823   5.817  -6.104
  884   1HB   ASN  68           HB2      ASN 115  18.836   8.594  -6.851
  885   2HB   ASN  68           HB1      ASN 115  20.521   8.084  -6.973
  886   1HD2  ASN  68          HD22      ASN 115  18.544   5.481  -9.288
  887   2HD2  ASN  68          HD21      ASN 115  18.559   5.398  -7.590
  888    H    VAL  69           HN       VAL 116  17.792   7.466  -4.013
  889    HA   VAL  69           HA       VAL 116  19.617   9.079  -2.513
  890    HB   VAL  69           HB       VAL 116  17.170   9.286  -2.344
  891   1HG1  VAL  69          HG12      VAL 116  16.847   6.742  -2.529
  892   2HG1  VAL  69          HG11      VAL 116  17.187   6.683  -0.801
  893   3HG1  VAL  69          HG13      VAL 116  15.795   7.583  -1.396
  894   1HG2  VAL  69          HG22      VAL 116  18.794   9.823  -0.398
  895   2HG2  VAL  69          HG21      VAL 116  17.080   9.688  -0.015
  896   3HG2  VAL  69          HG23      VAL 116  18.173   8.352   0.347
  897    H    ASP  70           HN       ASP 117  20.927   8.537  -0.755
  898    HA   ASP  70           HA       ASP 117  21.972   5.901  -0.597
  899   1HB   ASP  70           HB2      ASP 117  22.034   8.191   1.392
  900   2HB   ASP  70           HB1      ASP 117  22.967   6.705   1.583
  901    H    GLY  71           HN       GLY 118  19.448   7.536   1.273
  902   1HA   GLY  71           HA2      GLY 118  17.763   6.626   2.643
  903   2HA   GLY  71           HA1      GLY 118  18.180   5.046   1.977
   
  No H/Q in entry =         903
  Start of MODEL   27
    1   1H    MET   1           HT3      MET   1  -8.564  -2.557   8.964
    2   2H    MET   1           HT2      MET   1  -9.094  -3.210  10.440
    3   3H    MET   1           HT1      MET   1  -9.709  -1.722   9.894
    4    HA   MET   1           HA       MET   1  -8.090  -0.620  10.897
    5   1HB   MET   1           HB2      MET   1  -7.134  -3.396  11.660
    6   2HB   MET   1           HB1      MET   1  -6.551  -1.899  12.390
    7   1HG   MET   1           HG2      MET   1  -9.441  -2.828  12.405
    8   2HG   MET   1           HG1      MET   1  -8.319  -2.979  13.760
    9   1HE   MET   1           HE3      MET   1 -10.830  -1.857  14.324
   10   2HE   MET   1           HE2      MET   1  -9.645  -1.445  15.561
   11   3HE   MET   1           HE1      MET   1 -10.720  -0.198  14.932
   12    H    VAL   2           HN       VAL   2  -5.519  -0.522  11.109
   13    HA   VAL   2           HA       VAL   2  -4.475  -0.932   8.339
   14    HB   VAL   2           HB       VAL   2  -3.477   0.777  10.639
   15   1HG1  VAL   2          HG13      VAL   2  -2.426   0.277   7.842
   16   2HG1  VAL   2          HG12      VAL   2  -2.013   1.728   8.758
   17   3HG1  VAL   2          HG11      VAL   2  -1.553   0.138   9.368
   18   1HG2  VAL   2          HG21      VAL   2  -4.795   1.427   7.986
   19   2HG2  VAL   2          HG23      VAL   2  -5.553   1.562   9.570
   20   3HG2  VAL   2          HG22      VAL   2  -4.206   2.616   9.144
   21    H    LYS   3           HN       LYS   3  -2.533  -2.101   7.987
   22    HA   LYS   3           HA       LYS   3  -1.369  -3.522  10.363
   23   1HB   LYS   3           HB2      LYS   3  -2.873  -5.047   9.110
   24   2HB   LYS   3           HB1      LYS   3  -1.959  -4.712   7.637
   25   1HG   LYS   3           HG2      LYS   3  -0.037  -5.798   8.427
   26   2HG   LYS   3           HG1      LYS   3  -0.554  -5.741  10.104
   27   1HD   LYS   3           HD2      LYS   3  -2.424  -7.309   9.515
   28   2HD   LYS   3           HD1      LYS   3  -1.749  -7.430   7.889
   29   1HE   LYS   3           HE2      LYS   3  -0.934  -9.304   9.214
   30   2HE   LYS   3           HE1      LYS   3   0.409  -8.205   8.892
   31   1HZ   LYS   3           HZ2      LYS   3  -0.833  -7.331  11.221
   32   2HZ   LYS   3           HZ1      LYS   3  -0.644  -9.011  11.376
   33   3HZ   LYS   3           HZ3      LYS   3   0.707  -8.034  11.064
   34    H    GLN   4           HN       GLN   4   0.791  -3.277  10.463
   35    HA   GLN   4           HA       GLN   4   2.194  -2.086   8.125
   36   1HB   GLN   4           HB2      GLN   4   2.459  -0.991  10.341
   37   2HB   GLN   4           HB1      GLN   4   3.138  -2.486  10.987
   38   1HG   GLN   4           HG2      GLN   4   4.970  -2.364   9.312
   39   2HG   GLN   4           HG1      GLN   4   4.297  -0.853   8.704
   40   1HE2  GLN   4          HE22      GLN   4   6.562   0.677  10.981
   41   2HE2  GLN   4          HE21      GLN   4   6.251   0.329   9.349
   42    H    ILE   5           HN       ILE   5   3.414  -3.350   6.864
   43    HA   ILE   5           HA       ILE   5   4.104  -6.117   7.758
   44    HB   ILE   5           HB       ILE   5   4.324  -4.823   5.029
   45   1HG1  ILE   5          HG12      ILE   5   1.988  -4.816   5.716
   46   2HG1  ILE   5          HG11      ILE   5   2.228  -6.042   4.477
   47   1HG2  ILE   5          HG21      ILE   5   5.654  -6.988   5.656
   48   2HG2  ILE   5          HG23      ILE   5   4.091  -7.781   5.510
   49   3HG2  ILE   5          HG22      ILE   5   4.776  -6.920   4.137
   50   1HD1  ILE   5          HD12      ILE   5   2.510  -7.719   6.391
   51   2HD1  ILE   5          HD11      ILE   5   1.899  -6.458   7.452
   52   3HD1  ILE   5          HD13      ILE   5   0.887  -7.078   6.154
   53    H    GLU   6           HN       GLU   6   6.111  -6.140   8.739
   54    HA   GLU   6           HA       GLU   6   8.232  -4.295   7.760
   55   1HB   GLU   6           HB2      GLU   6   8.170  -6.135  10.182
   56   2HB   GLU   6           HB1      GLU   6   9.424  -4.956   9.808
   57   1HG   GLU   6           HG2      GLU   6   8.089  -3.753  11.305
   58   2HG   GLU   6           HG1      GLU   6   7.437  -3.241   9.753
   59    H    SER   7           HN       SER   7   7.090  -7.341   7.092
   60    HA   SER   7           HA       SER   7   9.654  -8.120   5.863
   61   1HB   SER   7           HB2      SER   7   9.670 -10.360   6.903
   62   2HB   SER   7           HB1      SER   7   9.850  -9.092   8.118
   63    HG   SER   7           HG       SER   7   7.707 -10.800   7.572
   64    H    LYS   8           HN       LYS   8   9.395  -9.865   4.326
   65    HA   LYS   8           HA       LYS   8   6.916  -9.822   2.891
   66   1HB   LYS   8           HB2      LYS   8   9.218 -10.471   1.980
   67   2HB   LYS   8           HB1      LYS   8   8.973 -12.034   2.760
   68   1HG   LYS   8           HG2      LYS   8   6.672 -12.027   1.502
   69   2HG   LYS   8           HG1      LYS   8   7.428 -10.795   0.492
   70   1HD   LYS   8           HD2      LYS   8   8.676 -13.511   1.006
   71   2HD   LYS   8           HD1      LYS   8   7.646 -13.158  -0.380
   72   1HE   LYS   8           HE2      LYS   8  10.229 -11.733   0.310
   73   2HE   LYS   8           HE1      LYS   8  10.006 -12.903  -0.990
   74   1HZ   LYS   8           HZ3      LYS   8   8.012 -10.996  -1.270
   75   2HZ   LYS   8           HZ2      LYS   8   9.452 -10.139  -0.992
   76   3HZ   LYS   8           HZ1      LYS   8   9.353 -11.247  -2.276
   77    H    THR   9           HN       THR   9   8.263 -11.902   5.373
   78    HA   THR   9           HA       THR   9   6.543 -14.103   5.175
   79    HB   THR   9           HB       THR   9   7.483 -12.825   7.751
   80    HG1  THR   9           HG1      THR   9   9.230 -14.334   7.450
   81   1HG2  THR   9          HG23      THR   9   6.490 -15.577   6.995
   82   2HG2  THR   9          HG22      THR   9   7.450 -15.293   8.447
   83   3HG2  THR   9          HG21      THR   9   5.883 -14.505   8.259
   84    H    ALA  10           HN       ALA  10   6.025 -11.103   7.021
   85    HA   ALA  10           HA       ALA  10   3.346 -11.822   7.804
   86   1HB   ALA  10           HB1      ALA  10   4.758 -10.101   8.971
   87   2HB   ALA  10           HB3      ALA  10   4.540  -9.040   7.580
   88   3HB   ALA  10           HB2      ALA  10   3.148  -9.514   8.554
   89    H    PHE  11           HN       PHE  11   4.742 -10.250   4.979
   90    HA   PHE  11           HA       PHE  11   2.410  -9.028   3.902
   91   1HB   PHE  11           HB2      PHE  11   4.796  -8.893   3.009
   92   2HB   PHE  11           HB1      PHE  11   4.548 -10.475   2.300
   93    HD1  PHE  11           HD1      PHE  11   2.831  -7.153   2.501
   94    HD2  PHE  11           HD2      PHE  11   3.793 -10.569   0.082
   95    HE1  PHE  11           HE1      PHE  11   1.743  -6.078   0.551
   96    HE2  PHE  11           HE2      PHE  11   2.699  -9.495  -1.870
   97    HZ   PHE  11           HZ       PHE  11   1.675  -7.249  -1.631
   98    H    GLN  12           HN       GLN  12   3.683 -12.324   3.520
   99    HA   GLN  12           HA       GLN  12   1.599 -13.296   1.799
  100   1HB   GLN  12           HB2      GLN  12   3.328 -14.742   3.841
  101   2HB   GLN  12           HB1      GLN  12   2.389 -15.529   2.575
  102   1HG   GLN  12           HG2      GLN  12   4.589 -13.498   2.089
  103   2HG   GLN  12           HG1      GLN  12   4.782 -15.245   1.946
  104   1HE2  GLN  12          HE22      GLN  12   2.910 -15.469  -1.105
  105   2HE2  GLN  12          HE21      GLN  12   3.370 -16.348   0.272
  106    H    GLU  13           HN       GLU  13   2.013 -13.282   5.332
  107    HA   GLU  13           HA       GLU  13  -0.355 -14.758   5.983
  108   1HB   GLU  13           HB2      GLU  13   1.262 -12.732   7.548
  109   2HB   GLU  13           HB1      GLU  13  -0.063 -13.639   8.248
  110   1HG   GLU  13           HG2      GLU  13   2.376 -14.899   6.957
  111   2HG   GLU  13           HG1      GLU  13   2.166 -14.680   8.694
  112    H    ALA  14           HN       ALA  14   0.201 -11.264   5.572
  113    HA   ALA  14           HA       ALA  14  -2.427 -10.485   6.456
  114   1HB   ALA  14           HB1      ALA  14  -0.418  -9.105   4.654
  115   2HB   ALA  14           HB3      ALA  14  -1.898  -8.344   5.236
  116   3HB   ALA  14           HB2      ALA  14  -0.652  -8.837   6.381
  117    H    LEU  15           HN       LEU  15  -1.050 -11.228   3.267
  118    HA   LEU  15           HA       LEU  15  -3.353 -10.587   1.724
  119   1HB   LEU  15           HB2      LEU  15  -1.172 -12.656   1.345
  120   2HB   LEU  15           HB1      LEU  15  -2.385 -12.303   0.117
  121    HG   LEU  15           HG       LEU  15  -0.598 -10.174   1.323
  122   1HD1  LEU  15          HD13      LEU  15  -0.124 -12.061  -0.980
  123   2HD1  LEU  15          HD12      LEU  15   0.561 -10.435  -1.023
  124   3HD1  LEU  15          HD11      LEU  15   0.993 -11.538   0.281
  125   1HD2  LEU  15          HD22      LEU  15  -2.477 -10.313  -1.044
  126   2HD2  LEU  15          HD21      LEU  15  -2.435  -9.124   0.254
  127   3HD2  LEU  15          HD23      LEU  15  -1.184  -9.116  -0.981
  128    H    ASP  16           HN       ASP  16  -2.340 -13.536   3.408
  129    HA   ASP  16           HA       ASP  16  -4.612 -15.094   2.577
  130   1HB   ASP  16           HB2      ASP  16  -2.402 -15.982   3.518
  131   2HB   ASP  16           HB1      ASP  16  -3.023 -15.541   5.114
  132    H    ALA  17           HN       ALA  17  -3.982 -13.027   5.399
  133    HA   ALA  17           HA       ALA  17  -6.343 -13.780   6.860
  134   1HB   ALA  17           HB3      ALA  17  -4.736 -11.216   6.945
  135   2HB   ALA  17           HB2      ALA  17  -5.947 -11.693   8.136
  136   3HB   ALA  17           HB1      ALA  17  -4.468 -12.640   7.952
  137    H    ALA  18           HN       ALA  18  -5.700 -11.199   4.504
  138    HA   ALA  18           HA       ALA  18  -8.204  -9.850   4.795
  139   1HB   ALA  18           HB2      ALA  18  -6.271  -8.914   3.526
  140   2HB   ALA  18           HB1      ALA  18  -6.532 -10.132   2.277
  141   3HB   ALA  18           HB3      ALA  18  -7.761  -8.906   2.582
  142    H    GLY  19           HN       GLY  19  -7.268 -12.775   3.141
  143   1HA   GLY  19           HA2      GLY  19  -8.578 -14.426   2.120
  144   2HA   GLY  19           HA1      GLY  19  -9.985 -13.656   2.858
  145    H    ASP  20           HN       ASP  20 -11.432 -13.148   1.282
  146    HA   ASP  20           HA       ASP  20 -10.483 -12.509  -1.441
  147   1HB   ASP  20           HB2      ASP  20 -13.297 -12.775  -0.340
  148   2HB   ASP  20           HB1      ASP  20 -12.867 -12.596  -2.041
  149    H    LYS  21           HN       LYS  21 -10.771 -10.704   1.276
  150    HA   LYS  21           HA       LYS  21 -12.310  -8.450   0.257
  151   1HB   LYS  21           HB2      LYS  21 -10.321  -8.629   2.549
  152   2HB   LYS  21           HB1      LYS  21 -11.363  -7.243   2.223
  153   1HG   LYS  21           HG2      LYS  21 -13.359  -8.593   2.540
  154   2HG   LYS  21           HG1      LYS  21 -12.390 -10.056   2.695
  155   1HD   LYS  21           HD2      LYS  21 -12.823  -9.531   4.935
  156   2HD   LYS  21           HD1      LYS  21 -11.250  -8.776   4.691
  157   1HE   LYS  21           HE2      LYS  21 -12.738  -7.212   5.833
  158   2HE   LYS  21           HE1      LYS  21 -12.399  -6.614   4.211
  159   1HZ   LYS  21           HZ3      LYS  21 -14.612  -8.282   4.022
  160   2HZ   LYS  21           HZ2      LYS  21 -14.884  -7.277   5.364
  161   3HZ   LYS  21           HZ1      LYS  21 -14.568  -6.597   3.840
  162    H    LEU  22           HN       LEU  22 -11.429  -6.426  -0.514
  163    HA   LEU  22           HA       LEU  22  -9.230  -6.664  -2.286
  164   1HB   LEU  22           HB2      LEU  22 -11.209  -4.789  -1.816
  165   2HB   LEU  22           HB1      LEU  22  -9.795  -3.942  -1.215
  166    HG   LEU  22           HG       LEU  22 -10.210  -5.046  -4.002
  167   1HD1  LEU  22          HD11      LEU  22 -10.499  -2.381  -2.736
  168   2HD1  LEU  22          HD13      LEU  22  -9.496  -2.356  -4.184
  169   3HD1  LEU  22          HD12      LEU  22 -11.139  -2.980  -4.260
  170   1HD2  LEU  22          HD23      LEU  22  -7.744  -3.961  -2.641
  171   2HD2  LEU  22          HD22      LEU  22  -7.895  -5.414  -3.635
  172   3HD2  LEU  22          HD21      LEU  22  -7.943  -3.823  -4.383
  173    H    VAL  23           HN       VAL  23  -7.077  -5.546  -2.045
  174    HA   VAL  23           HA       VAL  23  -6.243  -4.946   0.729
  175    HB   VAL  23           HB       VAL  23  -4.855  -7.021  -1.005
  176   1HG1  VAL  23          HG13      VAL  23  -4.245  -5.780   1.683
  177   2HG1  VAL  23          HG12      VAL  23  -3.596  -7.353   1.224
  178   3HG1  VAL  23          HG11      VAL  23  -3.190  -5.924   0.277
  179   1HG2  VAL  23          HG21      VAL  23  -6.530  -7.263   1.503
  180   2HG2  VAL  23          HG23      VAL  23  -6.885  -7.956  -0.076
  181   3HG2  VAL  23          HG22      VAL  23  -5.526  -8.564   0.865
  182    H    VAL  24           HN       VAL  24  -5.262  -3.005   0.493
  183    HA   VAL  24           HA       VAL  24  -3.832  -2.427  -2.070
  184    HB   VAL  24           HB       VAL  24  -4.732  -0.514   0.113
  185   1HG1  VAL  24          HG13      VAL  24  -2.809   0.244  -1.285
  186   2HG1  VAL  24          HG12      VAL  24  -3.787  -0.013  -2.728
  187   3HG1  VAL  24          HG11      VAL  24  -4.257   1.215  -1.552
  188   1HG2  VAL  24          HG23      VAL  24  -6.017  -1.425  -2.469
  189   2HG2  VAL  24          HG22      VAL  24  -6.725  -1.367  -0.855
  190   3HG2  VAL  24          HG21      VAL  24  -6.415   0.129  -1.735
  191    H    VAL  25           HN       VAL  25  -1.620  -1.815  -1.982
  192    HA   VAL  25           HA       VAL  25  -0.302  -2.029   0.711
  193    HB   VAL  25           HB       VAL  25   0.805  -3.007  -1.937
  194   1HG1  VAL  25          HG13      VAL  25   1.780  -3.221   0.911
  195   2HG1  VAL  25          HG12      VAL  25   2.508  -4.066  -0.453
  196   3HG1  VAL  25          HG11      VAL  25   2.542  -2.302  -0.386
  197   1HG2  VAL  25          HG22      VAL  25  -1.146  -4.337  -1.002
  198   2HG2  VAL  25          HG21      VAL  25   0.357  -5.245  -1.157
  199   3HG2  VAL  25          HG23      VAL  25  -0.155  -4.649   0.420
  200    H    ASP  26           HN       ASP  26   0.775  -0.211   1.248
  201    HA   ASP  26           HA       ASP  26   1.477   1.745  -0.910
  202   1HB   ASP  26           HB2      ASP  26   0.088   2.478   1.080
  203   2HB   ASP  26           HB1      ASP  26   1.497   2.180   2.100
  204    H    PHE  27           HN       PHE  27   3.585   1.751  -1.567
  205    HA   PHE  27           HA       PHE  27   5.691   0.570   0.180
  206   1HB   PHE  27           HB2      PHE  27   5.594   1.307  -2.755
  207   2HB   PHE  27           HB1      PHE  27   7.115   0.922  -1.942
  208    HD1  PHE  27           HD1      PHE  27   7.484  -1.291  -0.944
  209    HD2  PHE  27           HD2      PHE  27   3.981  -0.413  -3.264
  210    HE1  PHE  27           HE1      PHE  27   7.063  -3.711  -1.218
  211    HE2  PHE  27           HE2      PHE  27   3.559  -2.836  -3.523
  212    HZ   PHE  27           HZ       PHE  27   5.095  -4.491  -2.510
  213    H    SER  28           HN       SER  28   4.438   3.357   0.477
  214    HA   SER  28           HA       SER  28   6.300   5.310  -0.347
  215   1HB   SER  28           HB2      SER  28   4.630   5.306   2.178
  216   2HB   SER  28           HB1      SER  28   5.405   6.710   1.459
  217    HG   SER  28           HG       SER  28   4.063   5.530  -0.461
  218    H    ALA  29           HN       ALA  29   8.059   6.296   0.668
  219    HA   ALA  29           HA       ALA  29   9.597   4.498   2.424
  220   1HB   ALA  29           HB3      ALA  29  10.183   6.935   0.781
  221   2HB   ALA  29           HB2      ALA  29  11.221   6.645   2.179
  222   3HB   ALA  29           HB1      ALA  29  11.089   5.429   0.905
  223    H    THR  30           HN       THR  30   9.523   4.701   4.609
  224    HA   THR  30           HA       THR  30   7.932   6.740   5.841
  225    HB   THR  30           HB       THR  30   8.377   4.535   6.909
  226    HG1  THR  30           HG1      THR  30   8.890   6.974   8.125
  227   1HG2  THR  30          HG21      THR  30  10.783   4.419   6.188
  228   2HG2  THR  30          HG23      THR  30  11.158   5.630   7.415
  229   3HG2  THR  30          HG22      THR  30  10.536   4.053   7.897
  230    H    TRP  31           HN       TRP  31  11.367   6.452   5.081
  231    HA   TRP  31           HA       TRP  31  12.186   8.740   6.671
  232   1HB   TRP  31           HB2      TRP  31  14.283   8.613   5.447
  233   2HB   TRP  31           HB1      TRP  31  13.772   6.998   5.931
  234    HD1  TRP  31           HD1      TRP  31  13.324   5.285   4.113
  235    HE1  TRP  31           HE1      TRP  31  13.524   5.256   1.547
  236    HE3  TRP  31           HE3      TRP  31  13.862  10.278   3.231
  237    HZ2  TRP  31           HZ2      TRP  31  13.840   7.114  -0.598
  238    HZ3  TRP  31           HZ3      TRP  31  14.090  11.122   0.914
  239    HH2  TRP  31           HH2      TRP  31  14.079   9.547  -1.001
  240    H    CYS  32           HN       CYS  32  10.790   8.431   3.467
  241    HA   CYS  32           HA       CYS  32  11.697  11.106   2.662
  242   1HB   CYS  32           HB2      CYS  32  11.216   9.085   1.114
  243   2HB   CYS  32           HB1      CYS  32   9.520   9.507   1.312
  244    H    GLY  33           HN       GLY  33  10.781  12.879   3.482
  245   1HA   GLY  33           HA2      GLY  33   8.416  12.927   5.048
  246   2HA   GLY  33           HA1      GLY  33   9.197  14.350   4.369
  247    HA   PRO  34           HA       PRO  34   6.229  14.939   1.142
  248   1HB   PRO  34           HB2      PRO  34   7.674  13.344  -0.925
  249   2HB   PRO  34           HB1      PRO  34   7.135  15.032  -0.986
  250   1HG   PRO  34           HG2      PRO  34   9.752  14.333  -0.668
  251   2HG   PRO  34           HG1      PRO  34   9.069  15.821   0.005
  252   1HD   PRO  34           HD2      PRO  34   9.909  13.352   1.419
  253   2HD   PRO  34           HD1      PRO  34   9.733  15.002   2.062
  254    H    ALA  35           HN       ALA  35   7.491  11.633   1.199
  255    HA   ALA  35           HA       ALA  35   4.999  10.477   0.199
  256   1HB   ALA  35           HB1      ALA  35   7.507   9.598   0.090
  257   2HB   ALA  35           HB3      ALA  35   7.074   8.839   1.621
  258   3HB   ALA  35           HB2      ALA  35   6.160   8.467   0.159
  259    H    LYS  36           HN       LYS  36   6.667  10.588   3.362
  260    HA   LYS  36           HA       LYS  36   4.675   9.183   4.838
  261   1HB   LYS  36           HB2      LYS  36   6.948   9.736   5.698
  262   2HB   LYS  36           HB1      LYS  36   6.472  11.432   5.800
  263   1HG   LYS  36           HG2      LYS  36   4.667  10.837   7.363
  264   2HG   LYS  36           HG1      LYS  36   5.117   9.140   7.247
  265   1HD   LYS  36           HD2      LYS  36   6.196   9.849   9.221
  266   2HD   LYS  36           HD1      LYS  36   7.474   9.918   8.011
  267   1HE   LYS  36           HE2      LYS  36   7.285  12.295   7.813
  268   2HE   LYS  36           HE1      LYS  36   5.769  12.323   8.713
  269   1HZ   LYS  36           HZ3      LYS  36   7.047  11.410  10.629
  270   2HZ   LYS  36           HZ2      LYS  36   8.473  11.690   9.748
  271   3HZ   LYS  36           HZ1      LYS  36   7.470  12.990  10.185
  272    H    MET  37           HN       MET  37   4.925  12.523   3.798
  273    HA   MET  37           HA       MET  37   2.884  13.692   5.380
  274   1HB   MET  37           HB2      MET  37   4.485  14.910   3.858
  275   2HB   MET  37           HB1      MET  37   3.512  14.368   2.491
  276   1HG   MET  37           HG2      MET  37   1.515  15.441   3.573
  277   2HG   MET  37           HG1      MET  37   2.595  16.106   4.797
  278   1HE   MET  37           HE1      MET  37   0.651  17.587   3.276
  279   2HE   MET  37           HE3      MET  37   1.760  18.775   3.977
  280   3HE   MET  37           HE2      MET  37   1.314  18.876   2.275
  281    H    ILE  38           HN       ILE  38   2.699  11.557   2.630
  282    HA   ILE  38           HA       ILE  38  -0.139  12.120   2.127
  283    HB   ILE  38           HB       ILE  38   1.564   9.866   1.016
  284   1HG1  ILE  38          HG12      ILE  38   1.077  12.603  -0.212
  285   2HG1  ILE  38          HG11      ILE  38   2.544  12.184   0.663
  286   1HG2  ILE  38          HG22      ILE  38  -1.092  11.100   0.287
  287   2HG2  ILE  38          HG21      ILE  38  -0.119  10.297  -0.940
  288   3HG2  ILE  38          HG23      ILE  38  -0.672   9.399   0.468
  289   1HD1  ILE  38          HD13      ILE  38   2.679  10.168  -0.966
  290   2HD1  ILE  38          HD12      ILE  38   1.549  11.088  -1.953
  291   3HD1  ILE  38          HD11      ILE  38   3.129  11.762  -1.562
  292    H    LYS  39           HN       LYS  39   1.420  10.295   4.493
  293    HA   LYS  39           HA       LYS  39  -0.084   7.896   4.327
  294   1HB   LYS  39           HB2      LYS  39   0.700   7.280   6.432
  295   2HB   LYS  39           HB1      LYS  39   1.972   8.292   5.779
  296   1HG   LYS  39           HG2      LYS  39   1.463  10.089   7.229
  297   2HG   LYS  39           HG1      LYS  39  -0.142   9.474   7.609
  298   1HD   LYS  39           HD2      LYS  39   2.467   8.160   8.415
  299   2HD   LYS  39           HD1      LYS  39   1.458   9.147   9.470
  300   1HE   LYS  39           HE2      LYS  39   0.551   7.116  10.053
  301   2HE   LYS  39           HE1      LYS  39  -0.389   7.333   8.575
  302   1HZ   LYS  39           HZ2      LYS  39   2.235   6.265   8.112
  303   2HZ   LYS  39           HZ1      LYS  39   1.275   5.262   9.094
  304   3HZ   LYS  39           HZ3      LYS  39   0.724   5.718   7.554
  305    HA   PRO  40           HA       PRO  40  -3.230   9.990   7.395
  306   1HB   PRO  40           HB2      PRO  40  -3.681  12.491   5.840
  307   2HB   PRO  40           HB1      PRO  40  -3.589  12.261   7.596
  308   1HG   PRO  40           HG2      PRO  40  -1.609  13.473   6.251
  309   2HG   PRO  40           HG1      PRO  40  -1.265  12.404   7.621
  310   1HD   PRO  40           HD2      PRO  40  -0.998  11.855   4.690
  311   2HD   PRO  40           HD1      PRO  40   0.063  11.333   6.018
  312    H    PHE  41           HN       PHE  41  -3.328  10.773   3.889
  313    HA   PHE  41           HA       PHE  41  -6.154  10.221   3.643
  314   1HB   PHE  41           HB2      PHE  41  -3.883  10.217   1.639
  315   2HB   PHE  41           HB1      PHE  41  -5.563   9.946   1.201
  316    HD1  PHE  41           HD2      PHE  41  -3.320  12.382   2.921
  317    HD2  PHE  41           HD1      PHE  41  -7.016  11.736   0.829
  318    HE1  PHE  41           HE2      PHE  41  -3.709  14.833   2.860
  319    HE2  PHE  41           HE1      PHE  41  -7.411  14.185   0.772
  320    HZ   PHE  41           HZ       PHE  41  -5.756  15.733   1.782
  321    H    PHE  42           HN       PHE  42  -3.241   8.297   2.908
  322    HA   PHE  42           HA       PHE  42  -4.616   5.924   2.107
  323   1HB   PHE  42           HB2      PHE  42  -2.231   6.312   1.651
  324   2HB   PHE  42           HB1      PHE  42  -1.874   6.266   3.381
  325    HD1  PHE  42           HD1      PHE  42  -3.145   4.236   0.520
  326    HD2  PHE  42           HD2      PHE  42  -1.617   4.195   4.538
  327    HE1  PHE  42           HE1      PHE  42  -2.979   1.766   0.441
  328    HE2  PHE  42           HE2      PHE  42  -1.450   1.725   4.451
  329    HZ   PHE  42           HZ       PHE  42  -2.137   0.507   2.399
  330    H    HIS  43           HN       HIS  43  -3.192   6.824   5.224
  331    HA   HIS  43           HA       HIS  43  -4.155   4.543   6.653
  332   1HB   HIS  43           HB2      HIS  43  -2.279   5.917   7.420
  333   2HB   HIS  43           HB1      HIS  43  -3.347   7.305   7.617
  334    HD1  HIS  43           HD1      HIS  43  -2.302   4.128   9.254
  335    HD2  HIS  43           HD2      HIS  43  -5.175   7.087   9.788
  336    HE1  HIS  43           HE1      HIS  43  -3.361   3.700  11.521
  337    H    SER  44           HN       SER  44  -5.507   7.840   6.274
  338    HA   SER  44           HA       SER  44  -7.709   7.491   8.052
  339   1HB   SER  44           HB2      SER  44  -7.505   9.262   5.610
  340   2HB   SER  44           HB1      SER  44  -8.760   9.374   6.837
  341    HG   SER  44           HG       SER  44  -7.394  10.327   8.119
  342    H    LEU  45           HN       LEU  45  -7.412   6.810   4.579
  343    HA   LEU  45           HA       LEU  45 -10.160   6.266   4.099
  344   1HB   LEU  45           HB2      LEU  45  -7.661   5.217   2.784
  345   2HB   LEU  45           HB1      LEU  45  -9.271   4.865   2.178
  346    HG   LEU  45           HG       LEU  45  -8.405   7.721   2.687
  347   1HD1  LEU  45          HD12      LEU  45  -6.729   6.696   1.186
  348   2HD1  LEU  45          HD11      LEU  45  -8.025   6.144   0.125
  349   3HD1  LEU  45          HD13      LEU  45  -7.725   7.870   0.326
  350   1HD2  LEU  45          HD22      LEU  45 -10.532   6.370   1.019
  351   2HD2  LEU  45          HD21      LEU  45 -10.729   7.565   2.302
  352   3HD2  LEU  45          HD23      LEU  45 -10.058   8.045   0.750
  353    H    SER  46           HN       SER  46  -7.786   4.433   5.799
  354    HA   SER  46           HA       SER  46  -8.753   1.820   5.418
  355   1HB   SER  46           HB2      SER  46  -7.715   3.067   7.984
  356   2HB   SER  46           HB1      SER  46  -7.839   1.341   7.672
  357    HG   SER  46           HG       SER  46  -6.185   3.267   6.426
  358    H    GLU  47           HN       GLU  47  -9.976   4.412   7.522
  359    HA   GLU  47           HA       GLU  47 -12.143   2.687   8.520
  360   1HB   GLU  47           HB2      GLU  47 -11.596   5.660   8.841
  361   2HB   GLU  47           HB1      GLU  47 -12.929   4.806   9.617
  362   1HG   GLU  47           HG2      GLU  47 -10.016   4.042   9.943
  363   2HG   GLU  47           HG1      GLU  47 -10.895   5.061  11.080
  364    H    LYS  48           HN       LYS  48 -11.637   4.774   5.768
  365    HA   LYS  48           HA       LYS  48 -14.484   5.363   5.408
  366   1HB   LYS  48           HB2      LYS  48 -12.697   6.816   4.415
  367   2HB   LYS  48           HB1      LYS  48 -12.275   5.494   3.327
  368   1HG   LYS  48           HG2      LYS  48 -14.633   5.476   2.488
  369   2HG   LYS  48           HG1      LYS  48 -14.975   6.872   3.502
  370   1HD   LYS  48           HD2      LYS  48 -12.749   6.890   1.472
  371   2HD   LYS  48           HD1      LYS  48 -14.392   7.325   1.037
  372   1HE   LYS  48           HE2      LYS  48 -14.341   9.028   2.910
  373   2HE   LYS  48           HE1      LYS  48 -12.621   8.689   3.081
  374   1HZ   LYS  48           HZ1      LYS  48 -13.013   9.069   0.399
  375   2HZ   LYS  48           HZ3      LYS  48 -13.954  10.271   1.137
  376   3HZ   LYS  48           HZ2      LYS  48 -12.293  10.161   1.484
  377    H    TYR  49           HN       TYR  49 -12.140   2.992   4.343
  378    HA   TYR  49           HA       TYR  49 -14.388   1.346   3.206
  379   1HB   TYR  49           HB2      TYR  49 -11.507   1.527   2.240
  380   2HB   TYR  49           HB1      TYR  49 -12.709   0.388   1.631
  381    HD1  TYR  49           HD2      TYR  49 -14.918   1.362   0.739
  382    HD2  TYR  49           HD1      TYR  49 -11.357   3.695   1.293
  383    HE1  TYR  49           HE2      TYR  49 -15.814   3.086  -0.796
  384    HE2  TYR  49           HE1      TYR  49 -12.253   5.420  -0.249
  385    HH   TYR  49           HH       TYR  49 -14.347   5.098  -2.364
  386    H    SER  50           HN       SER  50 -14.291   0.874   5.647
  387    HA   SER  50           HA       SER  50 -12.130  -0.623   6.769
  388   1HB   SER  50           HB2      SER  50 -13.674  -1.168   8.529
  389   2HB   SER  50           HB1      SER  50 -14.039   0.472   8.027
  390    HG   SER  50           HG       SER  50 -15.982  -0.411   7.918
  391    H    ASN  51           HN       ASN  51 -14.330  -1.383   4.325
  392    HA   ASN  51           HA       ASN  51 -14.297  -4.290   4.877
  393   1HB   ASN  51           HB2      ASN  51 -16.320  -3.085   3.905
  394   2HB   ASN  51           HB1      ASN  51 -15.381  -2.886   2.425
  395   1HD2  ASN  51          HD22      ASN  51 -15.994  -6.173   1.343
  396   2HD2  ASN  51          HD21      ASN  51 -15.449  -4.610   0.967
  397    H    VAL  52           HN       VAL  52 -12.083  -2.231   3.906
  398    HA   VAL  52           HA       VAL  52 -10.850  -4.127   1.960
  399    HB   VAL  52           HB       VAL  52 -10.889  -1.094   1.901
  400   1HG1  VAL  52          HG12      VAL  52  -8.912  -3.041   0.734
  401   2HG1  VAL  52          HG11      VAL  52  -9.332  -1.599  -0.191
  402   3HG1  VAL  52          HG13      VAL  52  -8.636  -1.443   1.419
  403   1HG2  VAL  52          HG22      VAL  52 -11.706  -3.300  -0.015
  404   2HG2  VAL  52          HG21      VAL  52 -12.733  -2.066   0.717
  405   3HG2  VAL  52          HG23      VAL  52 -11.550  -1.614  -0.509
  406    H    ILE  53           HN       ILE  53  -8.646  -4.541   2.361
  407    HA   ILE  53           HA       ILE  53  -7.715  -3.620   5.048
  408    HB   ILE  53           HB       ILE  53  -6.515  -5.761   3.271
  409   1HG1  ILE  53          HG12      ILE  53  -8.792  -6.440   3.732
  410   2HG1  ILE  53          HG11      ILE  53  -7.743  -7.349   4.815
  411   1HG2  ILE  53          HG21      ILE  53  -5.176  -4.710   5.197
  412   2HG2  ILE  53          HG23      ILE  53  -6.344  -5.470   6.274
  413   3HG2  ILE  53          HG22      ILE  53  -5.342  -6.462   5.217
  414   1HD1  ILE  53          HD11      ILE  53  -8.180  -5.399   6.498
  415   2HD1  ILE  53          HD13      ILE  53  -9.554  -5.032   5.458
  416   3HD1  ILE  53          HD12      ILE  53  -9.446  -6.602   6.251
  417    H    PHE  54           HN       PHE  54  -6.287  -1.988   5.129
  418    HA   PHE  54           HA       PHE  54  -4.693  -1.320   2.698
  419   1HB   PHE  54           HB2      PHE  54  -5.294   0.206   5.251
  420   2HB   PHE  54           HB1      PHE  54  -4.217   0.798   3.988
  421    HD1  PHE  54           HD1      PHE  54  -7.726  -0.413   4.562
  422    HD2  PHE  54           HD2      PHE  54  -5.084   1.914   2.112
  423    HE1  PHE  54           HE1      PHE  54  -9.668   0.464   3.283
  424    HE2  PHE  54           HE2      PHE  54  -7.017   2.777   0.828
  425    HZ   PHE  54           HZ       PHE  54  -9.307   2.047   1.414
  426    H    LEU  55           HN       LEU  55  -2.537  -1.822   2.650
  427    HA   LEU  55           HA       LEU  55  -1.178  -2.558   5.229
  428   1HB   LEU  55           HB2      LEU  55  -0.702  -3.552   2.410
  429   2HB   LEU  55           HB1      LEU  55   0.523  -3.722   3.662
  430    HG   LEU  55           HG       LEU  55  -0.799  -5.211   4.917
  431   1HD1  LEU  55          HD13      LEU  55  -3.144  -4.198   3.312
  432   2HD1  LEU  55          HD12      LEU  55  -3.222  -5.674   4.275
  433   3HD1  LEU  55          HD11      LEU  55  -2.900  -4.131   5.059
  434   1HD2  LEU  55          HD22      LEU  55   0.037  -6.201   2.802
  435   2HD2  LEU  55          HD21      LEU  55  -1.453  -6.970   3.352
  436   3HD2  LEU  55          HD23      LEU  55  -1.498  -5.803   2.029
  437    H    GLU  56           HN       GLU  56   0.844  -1.710   5.650
  438    HA   GLU  56           HA       GLU  56   1.736   0.521   3.844
  439   1HB   GLU  56           HB2      GLU  56   0.898   1.199   6.159
  440   2HB   GLU  56           HB1      GLU  56   2.255   0.287   6.825
  441   1HG   GLU  56           HG2      GLU  56   3.790   1.659   5.363
  442   2HG   GLU  56           HG1      GLU  56   2.399   2.660   4.947
  443    H    VAL  57           HN       VAL  57   3.743   0.214   3.017
  444    HA   VAL  57           HA       VAL  57   5.501  -1.878   4.273
  445    HB   VAL  57           HB       VAL  57   5.004  -1.313   1.338
  446   1HG1  VAL  57          HG13      VAL  57   6.894  -3.236   2.711
  447   2HG1  VAL  57          HG12      VAL  57   6.480  -3.309   1.003
  448   3HG1  VAL  57          HG11      VAL  57   7.335  -1.906   1.639
  449   1HG2  VAL  57          HG23      VAL  57   3.237  -2.580   2.548
  450   2HG2  VAL  57          HG22      VAL  57   4.052  -3.548   1.316
  451   3HG2  VAL  57          HG21      VAL  57   4.451  -3.765   3.013
  452    H    ASP  58           HN       ASP  58   7.541  -1.224   4.653
  453    HA   ASP  58           HA       ASP  58   8.369   1.503   3.777
  454   1HB   ASP  58           HB2      ASP  58   8.476   0.724   6.206
  455   2HB   ASP  58           HB1      ASP  58   9.750  -0.390   5.685
  456    H    VAL  59           HN       VAL  59   9.656   1.548   1.923
  457    HA   VAL  59           HA       VAL  59  10.801  -0.873   0.836
  458    HB   VAL  59           HB       VAL  59  12.054   0.656  -0.672
  459   1HG1  VAL  59          HG11      VAL  59   9.140   1.294  -0.156
  460   2HG1  VAL  59          HG13      VAL  59  10.014   1.877  -1.572
  461   3HG1  VAL  59          HG12      VAL  59   9.799   0.145  -1.317
  462   1HG2  VAL  59          HG22      VAL  59  11.001   2.756   1.241
  463   2HG2  VAL  59          HG21      VAL  59  12.676   2.448   0.781
  464   3HG2  VAL  59          HG23      VAL  59  11.557   3.149  -0.387
  465    H    ASP  60           HN       ASP  60  11.786   1.380   3.260
  466    HA   ASP  60           HA       ASP  60  14.629   0.584   3.111
  467   1HB   ASP  60           HB2      ASP  60  13.022   2.616   4.630
  468   2HB   ASP  60           HB1      ASP  60  14.659   2.233   5.134
  469    H    ASP  61           HN       ASP  61  11.923   0.179   5.461
  470    HA   ASP  61           HA       ASP  61  13.716  -1.562   7.106
  471   1HB   ASP  61           HB2      ASP  61  10.864  -0.642   7.640
  472   2HB   ASP  61           HB1      ASP  61  11.878  -1.556   8.750
  473    H    ALA  62           HN       ALA  62  11.200  -1.687   4.762
  474    HA   ALA  62           HA       ALA  62  10.973  -4.656   5.103
  475   1HB   ALA  62           HB1      ALA  62   8.857  -3.267   5.545
  476   2HB   ALA  62           HB3      ALA  62   8.878  -2.891   3.824
  477   3HB   ALA  62           HB2      ALA  62   8.708  -4.560   4.354
  478    H    GLN  63           HN       GLN  63  13.042  -3.478   3.672
  479    HA   GLN  63           HA       GLN  63  12.533  -3.047   0.907
  480   1HB   GLN  63           HB2      GLN  63  14.916  -3.322   0.592
  481   2HB   GLN  63           HB1      GLN  63  14.666  -2.502   2.133
  482   1HG   GLN  63           HG2      GLN  63  14.778  -4.783   3.240
  483   2HG   GLN  63           HG1      GLN  63  15.326  -5.417   1.688
  484   1HE2  GLN  63          HE22      GLN  63  18.568  -4.660   3.011
  485   2HE2  GLN  63          HE21      GLN  63  17.452  -5.910   2.745
  486    H    ASP  64           HN       ASP  64  12.534  -5.952   2.770
  487    HA   ASP  64           HA       ASP  64  13.218  -7.849   0.750
  488   1HB   ASP  64           HB2      ASP  64  11.819  -9.428   2.170
  489   2HB   ASP  64           HB1      ASP  64  13.093  -8.581   3.044
  490    H    VAL  65           HN       VAL  65  10.126  -6.333   1.642
  491    HA   VAL  65           HA       VAL  65   8.553  -7.864  -0.244
  492    HB   VAL  65           HB       VAL  65   7.940  -5.117   0.889
  493   1HG1  VAL  65          HG11      VAL  65   6.488  -5.931  -0.965
  494   2HG1  VAL  65          HG13      VAL  65   6.121  -7.372  -0.019
  495   3HG1  VAL  65          HG12      VAL  65   5.608  -5.785   0.555
  496   1HG2  VAL  65          HG23      VAL  65   7.814  -7.851   2.133
  497   2HG2  VAL  65          HG22      VAL  65   8.284  -6.316   2.856
  498   3HG2  VAL  65          HG21      VAL  65   6.584  -6.664   2.564
  499    H    ALA  66           HN       ALA  66  10.009  -4.635  -0.257
  500    HA   ALA  66           HA       ALA  66   9.016  -3.877  -2.840
  501   1HB   ALA  66           HB1      ALA  66   9.925  -2.419  -0.907
  502   2HB   ALA  66           HB3      ALA  66  11.515  -2.754  -1.593
  503   3HB   ALA  66           HB2      ALA  66  10.288  -1.936  -2.560
  504    H    SER  67           HN       SER  67  12.097  -5.333  -1.786
  505    HA   SER  67           HA       SER  67  13.445  -5.083  -4.288
  506   1HB   SER  67           HB2      SER  67  14.923  -6.839  -3.492
  507   2HB   SER  67           HB1      SER  67  14.526  -5.788  -2.134
  508    HG   SER  67           HG       SER  67  13.711  -8.402  -2.703
  509    H    GLU  68           HN       GLU  68  11.171  -7.482  -3.068
  510    HA   GLU  68           HA       GLU  68  11.463  -9.355  -5.215
  511   1HB   GLU  68           HB2      GLU  68  10.302  -9.796  -3.005
  512   2HB   GLU  68           HB1      GLU  68   8.946  -8.837  -3.598
  513   1HG   GLU  68           HG2      GLU  68  10.050 -11.213  -5.121
  514   2HG   GLU  68           HG1      GLU  68   8.747 -11.361  -3.945
  515    H    ALA  69           HN       ALA  69   9.378  -6.514  -4.757
  516    HA   ALA  69           HA       ALA  69   8.063  -6.944  -7.342
  517   1HB   ALA  69           HB2      ALA  69   6.817  -5.970  -5.440
  518   2HB   ALA  69           HB1      ALA  69   7.913  -4.588  -5.448
  519   3HB   ALA  69           HB3      ALA  69   6.850  -4.879  -6.825
  520    H    GLU  70           HN       GLU  70  11.054  -5.694  -6.491
  521    HA   GLU  70           HA       GLU  70  12.558  -4.300  -7.636
  522   1HB   GLU  70           HB2      GLU  70  10.720  -4.902  -9.967
  523   2HB   GLU  70           HB1      GLU  70  12.323  -4.196 -10.093
  524   1HG   GLU  70           HG2      GLU  70  11.724  -6.908  -8.895
  525   2HG   GLU  70           HG1      GLU  70  12.312  -6.633 -10.533
  526    H    VAL  71           HN       VAL  71  10.790  -2.820  -6.168
  527    HA   VAL  71           HA       VAL  71   9.223  -0.988  -7.706
  528    HB   VAL  71           HB       VAL  71  10.620  -0.375  -5.083
  529   1HG1  VAL  71          HG11      VAL  71   8.161   0.684  -6.504
  530   2HG1  VAL  71          HG13      VAL  71   8.504   1.016  -4.808
  531   3HG1  VAL  71          HG12      VAL  71   9.618   1.571  -6.063
  532   1HG2  VAL  71          HG21      VAL  71   8.074  -1.923  -5.674
  533   2HG2  VAL  71          HG23      VAL  71   9.450  -2.433  -4.696
  534   3HG2  VAL  71          HG22      VAL  71   8.372  -1.167  -4.110
  535    H    LYS  72           HN       LYS  72   9.821   0.807  -8.847
  536    HA   LYS  72           HA       LYS  72  12.723   1.463  -8.939
  537   1HB   LYS  72           HB2      LYS  72  10.512   2.045 -10.922
  538   2HB   LYS  72           HB1      LYS  72  12.212   2.454 -11.146
  539   1HG   LYS  72           HG2      LYS  72  12.602  -0.126 -10.688
  540   2HG   LYS  72           HG1      LYS  72  10.906  -0.272 -11.137
  541   1HD   LYS  72           HD2      LYS  72  13.029   1.067 -12.846
  542   2HD   LYS  72           HD1      LYS  72  12.446  -0.581 -13.077
  543   1HE   LYS  72           HE2      LYS  72  10.139   0.308 -13.373
  544   2HE   LYS  72           HE1      LYS  72  10.783   1.946 -13.246
  545   1HZ   LYS  72           HZ1      LYS  72  12.278   1.375 -15.125
  546   2HZ   LYS  72           HZ3      LYS  72  11.433  -0.083 -15.308
  547   3HZ   LYS  72           HZ2      LYS  72  10.629   1.398 -15.536
  548    H    ALA  73           HN       ALA  73   9.742   2.702  -7.783
  549    HA   ALA  73           HA       ALA  73  11.053   5.174  -6.959
  550   1HB   ALA  73           HB1      ALA  73   8.932   5.205  -9.095
  551   2HB   ALA  73           HB3      ALA  73   9.219   6.600  -8.053
  552   3HB   ALA  73           HB2      ALA  73  10.507   6.003  -9.096
  553    H    THR  74           HN       THR  74   9.768   6.396  -5.431
  554    HA   THR  74           HA       THR  74   7.289   5.044  -4.444
  555    HB   THR  74           HB       THR  74   8.021   5.377  -2.147
  556    HG1  THR  74           HG1      THR  74  10.486   6.238  -2.461
  557   1HG2  THR  74          HG22      THR  74  10.152   4.210  -3.907
  558   2HG2  THR  74          HG21      THR  74  10.228   4.138  -2.152
  559   3HG2  THR  74          HG23      THR  74   8.901   3.358  -3.013
  560    HA   PRO  75           HA       PRO  75   5.915   5.671  -2.613
  561   1HB   PRO  75           HB2      PRO  75   3.349   6.705  -2.621
  562   2HB   PRO  75           HB1      PRO  75   4.597   7.126  -1.442
  563   1HG   PRO  75           HG2      PRO  75   3.541   8.742  -3.686
  564   2HG   PRO  75           HG1      PRO  75   4.337   9.263  -2.199
  565   1HD   PRO  75           HD2      PRO  75   5.519   9.124  -4.788
  566   2HD   PRO  75           HD1      PRO  75   6.366   9.432  -3.246
  567    H    THR  76           HN       THR  76   4.890   3.816  -3.314
  568    HA   THR  76           HA       THR  76   3.468   3.915  -5.948
  569    HB   THR  76           HB       THR  76   5.405   1.754  -5.076
  570    HG1  THR  76           HG1      THR  76   5.576   3.553  -7.252
  571   1HG2  THR  76          HG22      THR  76   3.577   2.105  -7.461
  572   2HG2  THR  76          HG21      THR  76   4.981   1.041  -7.511
  573   3HG2  THR  76          HG23      THR  76   3.681   0.729  -6.362
  574    H    PHE  77           HN       PHE  77   1.594   2.865  -5.954
  575    HA   PHE  77           HA       PHE  77   0.824   1.337  -3.497
  576   1HB   PHE  77           HB2      PHE  77  -0.885   2.797  -5.529
  577   2HB   PHE  77           HB1      PHE  77  -1.481   1.964  -4.088
  578    HD1  PHE  77           HD1      PHE  77  -0.856   2.779  -1.818
  579    HD2  PHE  77           HD2      PHE  77   0.197   4.935  -5.384
  580    HE1  PHE  77           HE1      PHE  77  -0.367   4.793  -0.456
  581    HE2  PHE  77           HE2      PHE  77   0.687   6.951  -4.020
  582    HZ   PHE  77           HZ       PHE  77   0.406   6.879  -1.555
  583    H    GLN  78           HN       GLN  78   0.358  -0.784  -3.729
  584    HA   GLN  78           HA       GLN  78  -0.144  -1.851  -6.496
  585   1HB   GLN  78           HB2      GLN  78   1.389  -3.092  -4.196
  586   2HB   GLN  78           HB1      GLN  78   0.896  -3.983  -5.634
  587   1HG   GLN  78           HG2      GLN  78   2.107  -2.256  -7.020
  588   2HG   GLN  78           HG1      GLN  78   2.745  -1.579  -5.526
  589   1HE2  GLN  78          HE22      GLN  78   5.471  -3.815  -6.020
  590   2HE2  GLN  78          HE21      GLN  78   4.974  -2.192  -6.036
  591    H    PHE  79           HN       PHE  79  -1.863  -3.183  -6.703
  592    HA   PHE  79           HA       PHE  79  -3.608  -3.486  -4.282
  593   1HB   PHE  79           HB2      PHE  79  -4.223  -3.500  -7.251
  594   2HB   PHE  79           HB1      PHE  79  -5.413  -3.840  -5.989
  595    HD1  PHE  79           HD2      PHE  79  -3.015  -1.292  -7.241
  596    HD2  PHE  79           HD1      PHE  79  -6.376  -2.089  -4.693
  597    HE1  PHE  79           HE2      PHE  79  -3.265   1.135  -6.819
  598    HE2  PHE  79           HE1      PHE  79  -6.629   0.338  -4.265
  599    HZ   PHE  79           HZ       PHE  79  -5.077   1.952  -5.330
  600    H    PHE  80           HN       PHE  80  -4.141  -5.443  -3.553
  601    HA   PHE  80           HA       PHE  80  -3.469  -7.835  -5.196
  602   1HB   PHE  80           HB2      PHE  80  -2.863  -7.357  -2.282
  603   2HB   PHE  80           HB1      PHE  80  -2.875  -8.965  -3.004
  604    HD1  PHE  80           HD2      PHE  80  -1.129  -5.699  -2.906
  605    HD2  PHE  80           HD1      PHE  80  -1.207  -9.642  -4.622
  606    HE1  PHE  80           HE2      PHE  80   1.199  -5.408  -3.703
  607    HE2  PHE  80           HE1      PHE  80   1.119  -9.345  -5.413
  608    HZ   PHE  80           HZ       PHE  80   2.325  -7.230  -4.948
  609    H    LYS  81           HN       LYS  81  -4.872  -9.552  -5.007
  610    HA   LYS  81           HA       LYS  81  -7.096  -9.376  -3.076
  611   1HB   LYS  81           HB2      LYS  81  -7.656  -8.089  -5.261
  612   2HB   LYS  81           HB1      LYS  81  -7.679  -9.670  -6.039
  613   1HG   LYS  81           HG2      LYS  81  -9.333 -10.378  -4.211
  614   2HG   LYS  81           HG1      LYS  81  -9.453  -8.668  -3.804
  615   1HD   LYS  81           HD2      LYS  81  -9.999  -8.261  -6.278
  616   2HD   LYS  81           HD1      LYS  81 -10.207 -10.007  -6.409
  617   1HE   LYS  81           HE2      LYS  81 -11.929  -9.957  -4.653
  618   2HE   LYS  81           HE1      LYS  81 -11.702  -8.219  -4.462
  619   1HZ   LYS  81           HZ2      LYS  81 -12.477  -9.464  -7.042
  620   2HZ   LYS  81           HZ1      LYS  81 -13.615  -8.928  -5.903
  621   3HZ   LYS  81           HZ3      LYS  81 -12.545  -7.821  -6.615
  622    H    LYS  82           HN       LYS  82  -7.509 -11.453  -2.409
  623    HA   LYS  82           HA       LYS  82  -7.302 -13.782  -2.229
  624   1HB   LYS  82           HB2      LYS  82  -7.300 -13.648  -5.266
  625   2HB   LYS  82           HB1      LYS  82  -7.557 -15.093  -4.293
  626   1HG   LYS  82           HG2      LYS  82  -9.487 -13.755  -3.186
  627   2HG   LYS  82           HG1      LYS  82  -9.347 -12.686  -4.582
  628   1HD   LYS  82           HD2      LYS  82  -9.573 -14.709  -6.061
  629   2HD   LYS  82           HD1      LYS  82  -9.922 -15.659  -4.617
  630   1HE   LYS  82           HE2      LYS  82 -11.847 -14.214  -4.115
  631   2HE   LYS  82           HE1      LYS  82 -11.493 -13.239  -5.544
  632   1HZ   LYS  82           HZ2      LYS  82 -11.774 -15.223  -6.907
  633   2HZ   LYS  82           HZ1      LYS  82 -12.172 -16.126  -5.526
  634   3HZ   LYS  82           HZ3      LYS  82 -13.187 -14.868  -6.034
  635    H    GLY  83           HN       GLY  83  -4.848 -12.099  -2.374
  636   1HA   GLY  83           HA2      GLY  83  -2.559 -12.601  -2.196
  637   2HA   GLY  83           HA1      GLY  83  -2.938 -14.272  -2.599
  638    H    GLN  84           HN       GLN  84  -4.130 -11.883  -4.782
  639    HA   GLN  84           HA       GLN  84  -1.848 -12.397  -6.648
  640   1HB   GLN  84           HB2      GLN  84  -4.811 -12.375  -7.269
  641   2HB   GLN  84           HB1      GLN  84  -3.541 -12.404  -8.491
  642   1HG   GLN  84           HG2      GLN  84  -2.657 -14.504  -7.426
  643   2HG   GLN  84           HG1      GLN  84  -4.074 -14.504  -6.375
  644   1HE2  GLN  84          HE22      GLN  84  -6.208 -14.775  -9.470
  645   2HE2  GLN  84          HE21      GLN  84  -5.999 -13.558  -8.301
  646    H    LYS  85           HN       LYS  85  -1.195 -10.631  -7.881
  647    HA   LYS  85           HA       LYS  85  -2.090  -8.004  -6.942
  648   1HB   LYS  85           HB2      LYS  85   0.295  -8.541  -7.496
  649   2HB   LYS  85           HB1      LYS  85  -0.179  -8.633  -9.194
  650   1HG   LYS  85           HG2      LYS  85  -1.127  -6.283  -8.930
  651   2HG   LYS  85           HG1      LYS  85  -0.325  -6.225  -7.364
  652   1HD   LYS  85           HD2      LYS  85   1.097  -6.834  -9.966
  653   2HD   LYS  85           HD1      LYS  85   1.022  -5.231  -9.242
  654   1HE   LYS  85           HE2      LYS  85   3.057  -6.023  -8.411
  655   2HE   LYS  85           HE1      LYS  85   1.962  -6.465  -7.108
  656   1HZ   LYS  85           HZ3      LYS  85   1.855  -8.549  -8.901
  657   2HZ   LYS  85           HZ2      LYS  85   3.501  -8.139  -8.807
  658   3HZ   LYS  85           HZ1      LYS  85   2.640  -8.541  -7.398
  659    H    VAL  86           HN       VAL  86  -3.563  -6.721  -7.924
  660    HA   VAL  86           HA       VAL  86  -4.506  -7.507 -10.658
  661    HB   VAL  86           HB       VAL  86  -6.731  -6.613  -9.955
  662   1HG1  VAL  86          HG13      VAL  86  -6.006  -9.073  -9.794
  663   2HG1  VAL  86          HG12      VAL  86  -5.817  -8.787  -8.063
  664   3HG1  VAL  86          HG11      VAL  86  -7.396  -8.593  -8.824
  665   1HG2  VAL  86          HG21      VAL  86  -5.850  -5.175  -8.111
  666   2HG2  VAL  86          HG23      VAL  86  -7.156  -6.234  -7.582
  667   3HG2  VAL  86          HG22      VAL  86  -5.484  -6.632  -7.187
  668    H    GLY  87           HN       GLY  87  -2.626  -5.246  -9.321
  669   1HA   GLY  87           HA2      GLY  87  -2.855  -3.388 -11.397
  670   2HA   GLY  87           HA1      GLY  87  -3.989  -2.820 -10.182
  671    H    GLU  88           HN       GLU  88  -1.790  -1.315 -11.012
  672    HA   GLU  88           HA       GLU  88  -0.516  -0.760  -8.468
  673   1HB   GLU  88           HB2      GLU  88   0.921  -2.584  -9.065
  674   2HB   GLU  88           HB1      GLU  88   1.076  -2.001 -10.716
  675   1HG   GLU  88           HG2      GLU  88   1.968  -0.288  -8.399
  676   2HG   GLU  88           HG1      GLU  88   3.021  -1.557  -9.025
  677    H    PHE  89           HN       PHE  89   0.514   1.310  -8.470
  678    HA   PHE  89           HA       PHE  89   1.015   2.713 -10.963
  679   1HB   PHE  89           HB2      PHE  89  -0.659   4.389 -10.920
  680   2HB   PHE  89           HB1      PHE  89  -1.526   2.877 -10.693
  681    HD1  PHE  89           HD1      PHE  89  -0.087   5.798  -8.898
  682    HD2  PHE  89           HD2      PHE  89  -2.840   2.511  -8.723
  683    HE1  PHE  89           HE1      PHE  89  -1.049   6.722  -6.805
  684    HE2  PHE  89           HE2      PHE  89  -3.803   3.428  -6.625
  685    HZ   PHE  89           HZ       PHE  89  -2.916   5.544  -5.670
  686    H    SER  90           HN       SER  90   1.883   4.899 -10.560
  687    HA   SER  90           HA       SER  90   2.923   5.234  -7.766
  688   1HB   SER  90           HB2      SER  90   5.017   6.063  -8.758
  689   2HB   SER  90           HB1      SER  90   4.697   4.403  -9.267
  690    HG   SER  90           HG       SER  90   3.484   6.106 -10.938
  691    H    GLY  91           HN       GLY  91   3.644   7.464  -7.331
  692   1HA   GLY  91           HA2      GLY  91   3.572   9.842  -8.147
  693   2HA   GLY  91           HA1      GLY  91   1.988   9.486  -8.822
  694    H    ALA  92           HN       ALA  92   2.926  11.389  -6.635
  695    HA   ALA  92           HA       ALA  92   1.706  10.351  -4.196
  696   1HB   ALA  92           HB1      ALA  92   2.791  13.008  -5.096
  697   2HB   ALA  92           HB3      ALA  92   1.952  12.860  -3.555
  698   3HB   ALA  92           HB2      ALA  92   3.426  11.937  -3.857
  699    H    ASN  93           HN       ASN  93  -0.307   9.859  -5.765
  700    HA   ASN  93           HA       ASN  93  -2.204  12.182  -5.636
  701   1HB   ASN  93           HB2      ASN  93  -1.653  11.291  -7.940
  702   2HB   ASN  93           HB1      ASN  93  -2.394   9.767  -7.452
  703   1HD2  ASN  93          HD22      ASN  93  -5.296  12.471  -6.935
  704   2HD2  ASN  93          HD21      ASN  93  -4.001  12.270  -5.857
  705    H    LYS  94           HN       LYS  94  -3.063  11.768  -3.587
  706    HA   LYS  94           HA       LYS  94  -3.754   9.140  -2.622
  707   1HB   LYS  94           HB2      LYS  94  -5.042  10.432  -0.916
  708   2HB   LYS  94           HB1      LYS  94  -3.352  10.894  -1.049
  709   1HG   LYS  94           HG2      LYS  94  -5.071  12.465  -2.863
  710   2HG   LYS  94           HG1      LYS  94  -5.569  12.636  -1.187
  711   1HD   LYS  94           HD2      LYS  94  -3.188  13.169  -0.593
  712   2HD   LYS  94           HD1      LYS  94  -2.806  13.155  -2.320
  713   1HE   LYS  94           HE2      LYS  94  -4.493  14.919  -2.695
  714   2HE   LYS  94           HE1      LYS  94  -4.855  14.932  -0.967
  715   1HZ   LYS  94           HZ3      LYS  94  -2.143  15.412  -2.056
  716   2HZ   LYS  94           HZ2      LYS  94  -3.245  16.666  -1.740
  717   3HZ   LYS  94           HZ1      LYS  94  -2.687  15.680  -0.473
  718    H    GLU  95           HN       GLU  95  -5.570  11.591  -4.418
  719    HA   GLU  95           HA       GLU  95  -8.184  10.500  -4.027
  720   1HB   GLU  95           HB2      GLU  95  -7.013  12.061  -6.350
  721   2HB   GLU  95           HB1      GLU  95  -8.731  11.762  -6.114
  722   1HG   GLU  95           HG2      GLU  95  -6.960  13.165  -4.095
  723   2HG   GLU  95           HG1      GLU  95  -7.986  14.001  -5.262
  724    H    LYS  96           HN       LYS  96  -5.566   9.669  -6.173
  725    HA   LYS  96           HA       LYS  96  -6.964   8.122  -8.098
  726   1HB   LYS  96           HB2      LYS  96  -4.552   8.912  -8.101
  727   2HB   LYS  96           HB1      LYS  96  -4.194   7.575  -7.024
  728   1HG   LYS  96           HG2      LYS  96  -4.712   5.951  -8.646
  729   2HG   LYS  96           HG1      LYS  96  -5.594   7.104  -9.652
  730   1HD   LYS  96           HD2      LYS  96  -3.493   8.307 -10.123
  731   2HD   LYS  96           HD1      LYS  96  -2.609   7.146  -9.132
  732   1HE   LYS  96           HE2      LYS  96  -3.380   5.317 -10.622
  733   2HE   LYS  96           HE1      LYS  96  -4.202   6.507 -11.630
  734   1HZ   LYS  96           HZ3      LYS  96  -1.930   7.620 -11.753
  735   2HZ   LYS  96           HZ2      LYS  96  -1.308   6.142 -11.192
  736   3HZ   LYS  96           HZ1      LYS  96  -2.163   6.205 -12.659
  737    H    LEU  97           HN       LEU  97  -5.723   7.349  -4.895
  738    HA   LEU  97           HA       LEU  97  -6.038   4.524  -4.925
  739   1HB   LEU  97           HB2      LEU  97  -6.313   6.587  -2.725
  740   2HB   LEU  97           HB1      LEU  97  -6.422   4.865  -2.412
  741    HG   LEU  97           HG       LEU  97  -4.054   6.187  -3.749
  742   1HD1  LEU  97          HD13      LEU  97  -4.583   5.477  -0.852
  743   2HD1  LEU  97          HD12      LEU  97  -2.967   5.783  -1.485
  744   3HD1  LEU  97          HD11      LEU  97  -4.180   7.065  -1.513
  745   1HD2  LEU  97          HD22      LEU  97  -4.729   3.385  -2.862
  746   2HD2  LEU  97          HD21      LEU  97  -3.885   3.924  -4.311
  747   3HD2  LEU  97          HD23      LEU  97  -3.057   3.919  -2.763
  748    H    GLU  98           HN       GLU  98  -8.241   7.157  -4.239
  749    HA   GLU  98           HA       GLU  98 -10.415   5.575  -3.286
  750   1HB   GLU  98           HB2      GLU  98 -10.265   8.030  -3.027
  751   2HB   GLU  98           HB1      GLU  98 -10.532   8.217  -4.759
  752   1HG   GLU  98           HG2      GLU  98 -12.726   7.066  -4.526
  753   2HG   GLU  98           HG1      GLU  98 -12.459   6.953  -2.784
  754    H    ALA  99           HN       ALA  99  -9.641   6.662  -6.601
  755    HA   ALA  99           HA       ALA  99 -12.047   5.509  -7.705
  756   1HB   ALA  99           HB2      ALA  99 -10.636   7.288  -8.820
  757   2HB   ALA  99           HB1      ALA  99  -9.450   6.033  -9.182
  758   3HB   ALA  99           HB3      ALA  99 -11.071   5.941  -9.871
  759    H    THR 100           HN       THR 100  -8.691   4.295  -7.502
  760    HA   THR 100           HA       THR 100  -9.180   1.883  -8.959
  761    HB   THR 100           HB       THR 100  -7.159   2.243  -6.728
  762    HG1  THR 100           HG1      THR 100  -7.174   3.094  -9.423
  763   1HG2  THR 100          HG23      THR 100  -7.255   0.531  -9.225
  764   2HG2  THR 100          HG22      THR 100  -5.850   0.677  -8.168
  765   3HG2  THR 100          HG21      THR 100  -7.345  -0.034  -7.559
  766    H    ILE 101           HN       ILE 101  -9.447   2.623  -5.484
  767    HA   ILE 101           HA       ILE 101 -10.014  -0.054  -4.584
  768    HB   ILE 101           HB       ILE 101 -10.886   2.667  -3.536
  769   1HG1  ILE 101          HG12      ILE 101  -8.894   0.739  -2.322
  770   2HG1  ILE 101          HG11      ILE 101  -8.406   1.922  -3.533
  771   1HG2  ILE 101          HG23      ILE 101 -11.276  -0.110  -2.388
  772   2HG2  ILE 101          HG22      ILE 101 -11.342   1.348  -1.398
  773   3HG2  ILE 101          HG21      ILE 101 -12.508   1.115  -2.698
  774   1HD1  ILE 101          HD12      ILE 101  -9.378   3.727  -2.086
  775   2HD1  ILE 101          HD11      ILE 101  -9.710   2.508  -0.855
  776   3HD1  ILE 101          HD13      ILE 101  -8.044   2.868  -1.314
  777    H    ASN 102           HN       ASN 102 -12.147   2.639  -5.529
  778    HA   ASN 102           HA       ASN 102 -14.605   1.212  -5.335
  779   1HB   ASN 102           HB2      ASN 102 -14.478   3.679  -5.576
  780   2HB   ASN 102           HB1      ASN 102 -13.890   3.479  -7.230
  781   1HD2  ASN 102          HD22      ASN 102 -17.836   3.354  -6.547
  782   2HD2  ASN 102          HD21      ASN 102 -16.706   3.888  -5.399
  783    H    GLU 103           HN       GLU 103 -12.192   1.466  -7.875
  784    HA   GLU 103           HA       GLU 103 -13.732   0.225  -9.944
  785   1HB   GLU 103           HB2      GLU 103 -11.567   1.586 -10.138
  786   2HB   GLU 103           HB1      GLU 103 -10.726   0.122  -9.644
  787   1HG   GLU 103           HG2      GLU 103 -12.623   0.227 -12.004
  788   2HG   GLU 103           HG1      GLU 103 -10.879   0.429 -12.147
  789    H    LEU 104           HN       LEU 104 -11.533  -1.083  -7.456
  790    HA   LEU 104           HA       LEU 104 -12.058  -3.848  -8.437
  791   1HB   LEU 104           HB2      LEU 104 -10.131  -2.779  -6.368
  792   2HB   LEU 104           HB1      LEU 104 -10.295  -4.482  -6.773
  793    HG   LEU 104           HG       LEU 104  -9.619  -2.334  -8.800
  794   1HD1  LEU 104          HD11      LEU 104  -7.852  -4.059  -7.070
  795   2HD1  LEU 104          HD13      LEU 104  -7.289  -3.420  -8.614
  796   3HD1  LEU 104          HD12      LEU 104  -7.772  -2.317  -7.328
  797   1HD2  LEU 104          HD22      LEU 104  -9.734  -5.355  -8.837
  798   2HD2  LEU 104          HD21      LEU 104 -10.414  -4.213  -9.996
  799   3HD2  LEU 104          HD23      LEU 104  -8.677  -4.493  -9.951
  800    H    VAL 105           HN       VAL 105 -13.443  -1.749  -6.185
  801    HA   VAL 105           HA       VAL 105 -13.786  -3.521  -3.955
  802    HB   VAL 105           HB       VAL 105 -14.308  -1.006  -4.029
  803   1HG1  VAL 105          HG13      VAL 105 -15.842  -1.382  -6.094
  804   2HG1  VAL 105          HG12      VAL 105 -17.050  -1.893  -4.926
  805   3HG1  VAL 105          HG11      VAL 105 -16.388  -0.259  -4.853
  806   1HG2  VAL 105          HG23      VAL 105 -16.269  -2.995  -2.852
  807   2HG2  VAL 105          HG22      VAL 105 -14.850  -2.305  -2.063
  808   3HG2  VAL 105          HG21      VAL 105 -16.242  -1.284  -2.425
  809    HA   PRO  59           HA       PRO 106  14.770  15.359 -13.395
  810   1HB   PRO  59           HB2      PRO 106  17.190  15.271 -11.611
  811   2HB   PRO  59           HB1      PRO 106  16.896  14.434 -13.149
  812   1HG   PRO  59           HG2      PRO 106  18.447  16.583 -13.061
  813   2HG   PRO  59           HG1      PRO 106  17.330  16.323 -14.415
  814   1HD   PRO  59           HD2      PRO 106  17.108  18.256 -12.137
  815   2HD   PRO  59           HD1      PRO 106  16.521  18.411 -13.810
  816    H    ALA  60           HN       ALA 107  15.205  16.768 -10.190
  817    HA   ALA  60           HA       ALA 107  14.101  14.355  -8.876
  818   1HB   ALA  60           HB2      ALA 107  14.972  17.031  -7.742
  819   2HB   ALA  60           HB1      ALA 107  14.485  15.631  -6.788
  820   3HB   ALA  60           HB3      ALA 107  15.944  15.560  -7.776
  821    H    THR  61           HN       THR 108  11.939  14.140  -8.524
  822    HA   THR  61           HA       THR 108  10.191  16.575  -8.755
  823    HB   THR  61           HB       THR 108   9.449  13.652  -9.109
  824    HG1  THR  61           HG1      THR 108  10.560  14.070 -10.882
  825   1HG2  THR  61          HG23      THR 108   7.606  15.152  -8.385
  826   2HG2  THR  61          HG22      THR 108   7.950  16.211  -9.750
  827   3HG2  THR  61          HG21      THR 108   7.369  14.570 -10.029
  828    H    LEU  62           HN       LEU 109   9.077  17.181  -6.934
  829    HA   LEU  62           HA       LEU 109   9.528  15.898  -4.409
  830   1HB   LEU  62           HB2      LEU 109   7.465  17.926  -5.297
  831   2HB   LEU  62           HB1      LEU 109   7.666  17.426  -3.622
  832    HG   LEU  62           HG       LEU 109   9.941  18.536  -5.283
  833   1HD1  LEU  62          HD11      LEU 109   8.125  20.200  -5.145
  834   2HD1  LEU  62          HD13      LEU 109   8.085  20.014  -3.391
  835   3HD1  LEU  62          HD12      LEU 109   9.512  20.694  -4.174
  836   1HD2  LEU  62          HD22      LEU 109   9.501  17.988  -2.337
  837   2HD2  LEU  62          HD21      LEU 109  10.823  17.436  -3.363
  838   3HD2  LEU  62          HD23      LEU 109  10.730  19.126  -2.883
  839    H    LYS  63           HN       LYS 110   6.966  15.618  -6.790
  840    HA   LYS  63           HA       LYS 110   5.055  14.253  -5.162
  841   1HB   LYS  63           HB2      LYS 110   5.577  14.002  -8.142
  842   2HB   LYS  63           HB1      LYS 110   4.107  13.493  -7.316
  843   1HG   LYS  63           HG2      LYS 110   5.170  16.330  -7.425
  844   2HG   LYS  63           HG1      LYS 110   3.825  15.706  -8.375
  845   1HD   LYS  63           HD2      LYS 110   2.823  15.069  -6.022
  846   2HD   LYS  63           HD1      LYS 110   3.961  16.268  -5.414
  847   1HE   LYS  63           HE2      LYS 110   3.001  17.972  -6.870
  848   2HE   LYS  63           HE1      LYS 110   1.923  16.785  -7.599
  849   1HZ   LYS  63           HZ1      LYS 110   1.888  17.245  -4.685
  850   2HZ   LYS  63           HZ3      LYS 110   1.038  18.278  -5.730
  851   3HZ   LYS  63           HZ2      LYS 110   0.665  16.621  -5.687
  852    H    ILE  64           HN       ILE 111   8.051  13.235  -6.553
  853    HA   ILE  64           HA       ILE 111   7.513  10.398  -5.700
  854    HB   ILE  64           HB       ILE 111   9.052  11.378  -8.130
  855   1HG1  ILE  64          HG12      ILE 111   6.642  11.350  -8.528
  856   2HG1  ILE  64          HG11      ILE 111   7.402  10.021  -9.394
  857   1HG2  ILE  64          HG23      ILE 111   8.807   8.653  -6.868
  858   2HG2  ILE  64          HG22      ILE 111   9.215   8.856  -8.572
  859   3HG2  ILE  64          HG21      ILE 111  10.272   9.519  -7.326
  860   1HD1  ILE  64          HD11      ILE 111   6.826   8.692  -7.139
  861   2HD1  ILE  64          HD13      ILE 111   5.588   9.938  -7.019
  862   3HD1  ILE  64          HD12      ILE 111   5.644   8.879  -8.426
  863    H    CYS  65           HN       CYS 112   9.207   9.439  -4.507
  864    HA   CYS  65           HA       CYS 112  11.551  11.171  -3.872
  865   1HB   CYS  65           HB2      CYS 112  10.714   8.583  -2.526
  866   2HB   CYS  65           HB1      CYS 112  11.947   9.700  -1.966
  867    H    SER  66           HN       SER 113  13.478  10.666  -4.870
  868    HA   SER  66           HA       SER 113  13.598   8.356  -6.645
  869   1HB   SER  66           HB2      SER 113  15.723  10.364  -5.854
  870   2HB   SER  66           HB1      SER 113  15.902   9.160  -7.125
  871    HG   SER  66           HG       SER 113  15.167  11.315  -7.781
  872    H    TRP  67           HN       TRP 114  14.884   6.518  -6.458
  873    HA   TRP  67           HA       TRP 114  15.554   5.644  -3.753
  874   1HB   TRP  67           HB2      TRP 114  15.903   4.349  -6.481
  875   2HB   TRP  67           HB1      TRP 114  16.366   3.565  -4.968
  876    HD1  TRP  67           HD1      TRP 114  13.242   5.492  -6.190
  877    HE1  TRP  67           HE1      TRP 114  11.151   4.223  -5.418
  878    HE3  TRP  67           HE3      TRP 114  15.400   1.523  -3.797
  879    HZ2  TRP  67           HZ2      TRP 114  10.481   1.885  -3.960
  880    HZ3  TRP  67           HZ3      TRP 114  14.002  -0.210  -2.733
  881    HH2  TRP  67           HH2      TRP 114  11.542  -0.037  -2.832
  882    H    ASN  68           HN       ASN 115  17.172   7.414  -6.172
  883    HA   ASN  68           HA       ASN 115  19.845   6.550  -6.026
  884   1HB   ASN  68           HB2      ASN 115  18.729   9.380  -6.125
  885   2HB   ASN  68           HB1      ASN 115  20.440   8.996  -6.334
  886   1HD2  ASN  68          HD22      ASN 115  18.613   6.920  -9.230
  887   2HD2  ASN  68          HD21      ASN 115  18.623   6.437  -7.603
  888    H    VAL  69           HN       VAL 116  17.826   7.680  -3.512
  889    HA   VAL  69           HA       VAL 116  19.734   8.963  -1.821
  890    HB   VAL  69           HB       VAL 116  18.186   8.270   0.041
  891   1HG1  VAL  69          HG12      VAL 116  17.867  10.287  -1.542
  892   2HG1  VAL  69          HG11      VAL 116  16.638   9.308  -2.342
  893   3HG1  VAL  69          HG13      VAL 116  16.452   9.743  -0.645
  894   1HG2  VAL  69          HG23      VAL 116  17.562   6.082  -1.192
  895   2HG2  VAL  69          HG22      VAL 116  16.245   6.959  -0.421
  896   3HG2  VAL  69          HG21      VAL 116  16.480   7.078  -2.162
  897    H    ASP  70           HN       ASP 117  21.084   8.154  -0.212
  898    HA   ASP  70           HA       ASP 117  22.357   5.663  -0.720
  899   1HB   ASP  70           HB2      ASP 117  22.332   7.432   1.744
  900   2HB   ASP  70           HB1      ASP 117  23.375   6.018   1.570
  901    H    GLY  71           HN       GLY 118  19.798   6.577   1.558
  902   1HA   GLY  71           HA2      GLY 118  18.127   5.119   2.430
  903   2HA   GLY  71           HA1      GLY 118  19.031   3.741   1.804
   
  No H/Q in entry =         903
  Start of MODEL   28
    1   1H    MET   1           HT1      MET   1  -8.701  -2.798   9.138
    2   2H    MET   1           HT3      MET   1  -9.452  -2.980  10.650
    3   3H    MET   1           HT2      MET   1  -9.749  -1.588   9.718
    4    HA   MET   1           HA       MET   1  -8.152  -0.583  10.847
    5   1HB   MET   1           HB2      MET   1  -6.894  -1.728  12.551
    6   2HB   MET   1           HB1      MET   1  -8.498  -2.461  12.520
    7   1HG   MET   1           HG2      MET   1  -7.577  -4.267  11.035
    8   2HG   MET   1           HG1      MET   1  -5.975  -3.575  11.253
    9   1HE   MET   1           HE1      MET   1  -9.079  -4.887  12.689
   10   2HE   MET   1           HE3      MET   1  -8.656  -5.775  14.157
   11   3HE   MET   1           HE2      MET   1  -8.900  -4.035  14.218
   12    H    VAL   2           HN       VAL   2  -5.594  -0.505  10.939
   13    HA   VAL   2           HA       VAL   2  -4.612  -1.148   8.190
   14    HB   VAL   2           HB       VAL   2  -3.554   0.686  10.375
   15   1HG1  VAL   2          HG12      VAL   2  -2.496   0.205   7.565
   16   2HG1  VAL   2          HG11      VAL   2  -1.936   1.465   8.659
   17   3HG1  VAL   2          HG13      VAL   2  -1.667  -0.229   9.060
   18   1HG2  VAL   2          HG23      VAL   2  -4.827   1.196   7.666
   19   2HG2  VAL   2          HG22      VAL   2  -5.551   1.535   9.238
   20   3HG2  VAL   2          HG21      VAL   2  -4.139   2.446   8.702
   21    H    LYS   3           HN       LYS   3  -2.508  -2.183   7.927
   22    HA   LYS   3           HA       LYS   3  -1.464  -3.636  10.333
   23   1HB   LYS   3           HB2      LYS   3  -2.882  -5.116   8.862
   24   2HB   LYS   3           HB1      LYS   3  -1.775  -4.775   7.537
   25   1HG   LYS   3           HG2      LYS   3  -0.927  -6.797   8.365
   26   2HG   LYS   3           HG1      LYS   3   0.082  -5.613   9.193
   27   1HD   LYS   3           HD2      LYS   3  -1.383  -5.744  11.177
   28   2HD   LYS   3           HD1      LYS   3  -2.416  -6.896  10.339
   29   1HE   LYS   3           HE2      LYS   3   0.531  -7.361  10.859
   30   2HE   LYS   3           HE1      LYS   3  -0.758  -7.947  11.911
   31   1HZ   LYS   3           HZ1      LYS   3  -1.722  -9.049   9.928
   32   2HZ   LYS   3           HZ3      LYS   3  -0.328  -8.633   9.061
   33   3HZ   LYS   3           HZ2      LYS   3  -0.215  -9.672  10.395
   34    H    GLN   4           HN       GLN   4   0.765  -3.369  10.522
   35    HA   GLN   4           HA       GLN   4   2.187  -2.093   8.229
   36   1HB   GLN   4           HB2      GLN   4   2.438  -1.065  10.480
   37   2HB   GLN   4           HB1      GLN   4   3.120  -2.580  11.079
   38   1HG   GLN   4           HG2      GLN   4   4.941  -2.408   9.383
   39   2HG   GLN   4           HG1      GLN   4   4.281  -0.866   8.854
   40   1HE2  GLN   4          HE22      GLN   4   6.611   0.504  11.169
   41   2HE2  GLN   4          HE21      GLN   4   6.254   0.266   9.527
   42    H    ILE   5           HN       ILE   5   3.401  -3.367   6.919
   43    HA   ILE   5           HA       ILE   5   4.100  -6.133   7.815
   44    HB   ILE   5           HB       ILE   5   4.278  -4.917   5.059
   45   1HG1  ILE   5          HG12      ILE   5   1.965  -4.771   5.756
   46   2HG1  ILE   5          HG11      ILE   5   2.118  -6.120   4.633
   47   1HG2  ILE   5          HG22      ILE   5   5.595  -6.995   5.545
   48   2HG2  ILE   5          HG21      ILE   5   4.069  -7.813   5.893
   49   3HG2  ILE   5          HG23      ILE   5   4.383  -7.170   4.284
   50   1HD1  ILE   5          HD13      ILE   5   2.478  -7.547   6.812
   51   2HD1  ILE   5          HD12      ILE   5   1.706  -6.181   7.610
   52   3HD1  ILE   5          HD11      ILE   5   0.846  -7.066   6.352
   53    H    GLU   6           HN       GLU   6   6.144  -6.182   8.723
   54    HA   GLU   6           HA       GLU   6   8.237  -4.331   7.710
   55   1HB   GLU   6           HB2      GLU   6   8.271  -6.254  10.068
   56   2HB   GLU   6           HB1      GLU   6   9.513  -5.069   9.677
   57   1HG   GLU   6           HG2      GLU   6   8.224  -3.956  11.296
   58   2HG   GLU   6           HG1      GLU   6   7.591  -3.328   9.777
   59    H    SER   7           HN       SER   7   7.105  -7.389   6.954
   60    HA   SER   7           HA       SER   7   9.683  -8.045   5.659
   61   1HB   SER   7           HB2      SER   7   9.781 -10.319   6.616
   62   2HB   SER   7           HB1      SER   7   9.930  -9.091   7.874
   63    HG   SER   7           HG       SER   7   8.329 -10.186   8.720
   64    H    LYS   8           HN       LYS   8   9.490  -9.771   4.074
   65    HA   LYS   8           HA       LYS   8   6.983  -9.801   2.652
   66   1HB   LYS   8           HB2      LYS   8   9.277 -10.276   1.650
   67   2HB   LYS   8           HB1      LYS   8   9.194 -11.858   2.430
   68   1HG   LYS   8           HG2      LYS   8   6.943 -12.165   1.254
   69   2HG   LYS   8           HG1      LYS   8   7.369 -10.746   0.296
   70   1HD   LYS   8           HD2      LYS   8   9.083 -13.240   0.526
   71   2HD   LYS   8           HD1      LYS   8   7.996 -12.899  -0.822
   72   1HE   LYS   8           HE2      LYS   8   9.280 -10.664  -1.031
   73   2HE   LYS   8           HE1      LYS   8  10.494 -11.421  -0.006
   74   1HZ   LYS   8           HZ3      LYS   8   9.571 -13.030  -2.230
   75   2HZ   LYS   8           HZ2      LYS   8  10.442 -11.633  -2.662
   76   3HZ   LYS   8           HZ1      LYS   8  11.144 -12.792  -1.634
   77    H    THR   9           HN       THR   9   8.467 -11.848   5.076
   78    HA   THR   9           HA       THR   9   6.827 -14.128   4.816
   79    HB   THR   9           HB       THR   9   7.831 -12.929   7.415
   80    HG1  THR   9           HG1      THR   9   9.048 -14.385   5.359
   81   1HG2  THR   9          HG21      THR   9   7.137 -15.777   6.635
   82   2HG2  THR   9          HG23      THR   9   7.835 -15.282   8.179
   83   3HG2  THR   9          HG22      THR   9   6.210 -14.750   7.735
   84    H    ALA  10           HN       ALA  10   6.267 -11.167   6.714
   85    HA   ALA  10           HA       ALA  10   3.633 -11.987   7.613
   86   1HB   ALA  10           HB3      ALA  10   5.022  -9.293   7.471
   87   2HB   ALA  10           HB2      ALA  10   3.394  -9.494   8.115
   88   3HB   ALA  10           HB1      ALA  10   4.757 -10.290   8.901
   89    H    PHE  11           HN       PHE  11   4.903 -10.335   4.802
   90    HA   PHE  11           HA       PHE  11   2.509  -9.149   3.845
   91   1HB   PHE  11           HB2      PHE  11   4.861  -8.886   2.915
   92   2HB   PHE  11           HB1      PHE  11   4.670 -10.446   2.149
   93    HD1  PHE  11           HD1      PHE  11   2.826  -7.200   2.508
   94    HD2  PHE  11           HD2      PHE  11   3.862 -10.498  -0.043
   95    HE1  PHE  11           HE1      PHE  11   1.664  -6.103   0.616
   96    HE2  PHE  11           HE2      PHE  11   2.695  -9.402  -1.935
   97    HZ   PHE  11           HZ       PHE  11   1.599  -7.205  -1.600
   98    H    GLN  12           HN       GLN  12   3.872 -12.388   3.351
   99    HA   GLN  12           HA       GLN  12   1.806 -13.358   1.603
  100   1HB   GLN  12           HB2      GLN  12   3.600 -14.847   3.560
  101   2HB   GLN  12           HB1      GLN  12   2.691 -15.590   2.243
  102   1HG   GLN  12           HG2      GLN  12   4.828 -13.459   1.904
  103   2HG   GLN  12           HG1      GLN  12   5.057 -15.186   1.613
  104   1HE2  GLN  12          HE22      GLN  12   3.509 -12.938  -1.310
  105   2HE2  GLN  12          HE21      GLN  12   4.268 -12.294   0.066
  106    H    GLU  13           HN       GLU  13   2.233 -13.521   5.119
  107    HA   GLU  13           HA       GLU  13  -0.129 -15.062   5.663
  108   1HB   GLU  13           HB2      GLU  13   1.721 -13.307   7.262
  109   2HB   GLU  13           HB1      GLU  13   0.259 -13.936   8.007
  110   1HG   GLU  13           HG2      GLU  13   2.228 -15.418   8.391
  111   2HG   GLU  13           HG1      GLU  13   0.951 -16.234   7.492
  112    H    ALA  14           HN       ALA  14   0.497 -11.578   5.506
  113    HA   ALA  14           HA       ALA  14  -2.068 -10.741   6.460
  114   1HB   ALA  14           HB2      ALA  14   0.048  -9.312   6.092
  115   2HB   ALA  14           HB1      ALA  14  -0.436  -9.243   4.400
  116   3HB   ALA  14           HB3      ALA  14  -1.492  -8.579   5.646
  117    H    LEU  15           HN       LEU  15  -0.823 -11.419   3.198
  118    HA   LEU  15           HA       LEU  15  -3.165 -10.694   1.772
  119   1HB   LEU  15           HB2      LEU  15  -1.039 -12.768   1.208
  120   2HB   LEU  15           HB1      LEU  15  -2.310 -12.360   0.060
  121    HG   LEU  15           HG       LEU  15  -0.472 -10.276   1.264
  122   1HD1  LEU  15          HD12      LEU  15  -0.095 -12.053  -1.146
  123   2HD1  LEU  15          HD11      LEU  15   0.637 -10.452  -1.082
  124   3HD1  LEU  15          HD13      LEU  15   1.060 -11.661   0.130
  125   1HD2  LEU  15          HD21      LEU  15  -2.486 -10.345  -0.987
  126   2HD2  LEU  15          HD23      LEU  15  -2.286  -9.149   0.291
  127   3HD2  LEU  15          HD22      LEU  15  -1.147  -9.205  -1.050
  128    H    ASP  16           HN       ASP  16  -2.213 -13.730   3.359
  129    HA   ASP  16           HA       ASP  16  -4.532 -15.183   2.461
  130   1HB   ASP  16           HB2      ASP  16  -2.409 -16.238   3.358
  131   2HB   ASP  16           HB1      ASP  16  -2.924 -15.745   4.973
  132    H    ALA  17           HN       ALA  17  -3.834 -13.210   5.319
  133    HA   ALA  17           HA       ALA  17  -6.197 -13.906   6.795
  134   1HB   ALA  17           HB3      ALA  17  -4.124 -12.722   7.679
  135   2HB   ALA  17           HB2      ALA  17  -4.750 -11.257   6.923
  136   3HB   ALA  17           HB1      ALA  17  -5.669 -12.050   8.202
  137    H    ALA  18           HN       ALA  18  -5.515 -11.333   4.456
  138    HA   ALA  18           HA       ALA  18  -7.941  -9.886   4.783
  139   1HB   ALA  18           HB1      ALA  18  -6.284 -10.325   2.283
  140   2HB   ALA  18           HB3      ALA  18  -7.549  -9.109   2.451
  141   3HB   ALA  18           HB2      ALA  18  -6.092  -9.004   3.435
  142    H    GLY  19           HN       GLY  19  -7.166 -12.825   3.021
  143   1HA   GLY  19           HA2      GLY  19  -8.592 -14.438   2.090
  144   2HA   GLY  19           HA1      GLY  19  -9.933 -13.624   2.904
  145    H    ASP  20           HN       ASP  20 -11.434 -12.986   1.454
  146    HA   ASP  20           HA       ASP  20 -10.650 -12.394  -1.337
  147   1HB   ASP  20           HB2      ASP  20 -13.367 -12.653  -0.026
  148   2HB   ASP  20           HB1      ASP  20 -13.095 -12.393  -1.749
  149    H    LYS  21           HN       LYS  21 -10.701 -10.602   1.375
  150    HA   LYS  21           HA       LYS  21 -12.254  -8.302   0.477
  151   1HB   LYS  21           HB2      LYS  21 -10.161  -8.632   2.651
  152   2HB   LYS  21           HB1      LYS  21 -11.040  -7.133   2.362
  153   1HG   LYS  21           HG2      LYS  21 -13.179  -8.626   2.592
  154   2HG   LYS  21           HG1      LYS  21 -12.090  -9.774   3.371
  155   1HD   LYS  21           HD2      LYS  21 -11.332  -7.798   4.843
  156   2HD   LYS  21           HD1      LYS  21 -12.764  -6.960   4.243
  157   1HE   LYS  21           HE2      LYS  21 -14.182  -8.816   5.063
  158   2HE   LYS  21           HE1      LYS  21 -12.743  -9.622   5.687
  159   1HZ   LYS  21           HZ3      LYS  21 -12.864  -6.918   6.544
  160   2HZ   LYS  21           HZ2      LYS  21 -14.275  -7.755   6.991
  161   3HZ   LYS  21           HZ1      LYS  21 -12.751  -8.333   7.471
  162    H    LEU  22           HN       LEU  22 -11.364  -6.300  -0.379
  163    HA   LEU  22           HA       LEU  22  -9.180  -6.608  -2.176
  164   1HB   LEU  22           HB2      LEU  22 -11.120  -4.682  -1.737
  165   2HB   LEU  22           HB1      LEU  22  -9.684  -3.859  -1.167
  166    HG   LEU  22           HG       LEU  22 -10.106  -5.048  -3.911
  167   1HD1  LEU  22          HD13      LEU  22 -10.457  -2.357  -2.739
  168   2HD1  LEU  22          HD12      LEU  22  -9.422  -2.348  -4.160
  169   3HD1  LEU  22          HD11      LEU  22 -11.052  -3.013  -4.260
  170   1HD2  LEU  22          HD22      LEU  22  -7.646  -3.903  -2.578
  171   2HD2  LEU  22          HD21      LEU  22  -7.793  -5.381  -3.532
  172   3HD2  LEU  22          HD23      LEU  22  -7.849  -3.812  -4.324
  173    H    VAL  23           HN       VAL  23  -7.008  -5.578  -1.950
  174    HA   VAL  23           HA       VAL  23  -6.158  -4.986   0.830
  175    HB   VAL  23           HB       VAL  23  -4.840  -7.061  -0.949
  176   1HG1  VAL  23          HG13      VAL  23  -4.040  -5.747   1.646
  177   2HG1  VAL  23          HG12      VAL  23  -3.415  -7.327   1.184
  178   3HG1  VAL  23          HG11      VAL  23  -3.094  -5.923   0.169
  179   1HG2  VAL  23          HG23      VAL  23  -6.393  -7.235   1.638
  180   2HG2  VAL  23          HG22      VAL  23  -6.741  -8.053   0.115
  181   3HG2  VAL  23          HG21      VAL  23  -5.339  -8.527   1.071
  182    H    VAL  24           HN       VAL  24  -5.282  -2.992   0.562
  183    HA   VAL  24           HA       VAL  24  -3.802  -2.405  -1.963
  184    HB   VAL  24           HB       VAL  24  -4.580  -0.498   0.261
  185   1HG1  VAL  24          HG11      VAL  24  -2.739   0.204  -1.258
  186   2HG1  VAL  24          HG13      VAL  24  -3.810  -0.044  -2.636
  187   3HG1  VAL  24          HG12      VAL  24  -4.178   1.205  -1.447
  188   1HG2  VAL  24          HG22      VAL  24  -6.034  -1.306  -2.262
  189   2HG2  VAL  24          HG21      VAL  24  -6.639  -1.364  -0.610
  190   3HG2  VAL  24          HG23      VAL  24  -6.381   0.188  -1.402
  191    H    VAL  25           HN       VAL  25  -1.577  -1.796  -1.867
  192    HA   VAL  25           HA       VAL  25  -0.273  -2.034   0.835
  193    HB   VAL  25           HB       VAL  25   0.923  -2.980  -1.780
  194   1HG1  VAL  25          HG13      VAL  25   2.446  -2.302   0.125
  195   2HG1  VAL  25          HG12      VAL  25   1.709  -3.599   1.068
  196   3HG1  VAL  25          HG11      VAL  25   2.614  -3.979  -0.397
  197   1HG2  VAL  25          HG22      VAL  25  -1.116  -4.297  -1.047
  198   2HG2  VAL  25          HG21      VAL  25   0.373  -5.235  -1.126
  199   3HG2  VAL  25          HG23      VAL  25  -0.245  -4.687   0.432
  200    H    ASP  26           HN       ASP  26   0.734  -0.167   1.361
  201    HA   ASP  26           HA       ASP  26   1.496   1.743  -0.813
  202   1HB   ASP  26           HB2      ASP  26   0.099   2.593   1.043
  203   2HB   ASP  26           HB1      ASP  26   1.349   2.139   2.195
  204    H    PHE  27           HN       PHE  27   3.575   1.729  -1.451
  205    HA   PHE  27           HA       PHE  27   5.689   0.573   0.299
  206   1HB   PHE  27           HB2      PHE  27   5.517   1.218  -2.647
  207   2HB   PHE  27           HB1      PHE  27   7.067   0.875  -1.873
  208    HD1  PHE  27           HD1      PHE  27   7.401  -1.319  -0.694
  209    HD2  PHE  27           HD2      PHE  27   3.982  -0.534  -3.175
  210    HE1  PHE  27           HE1      PHE  27   6.972  -3.755  -0.871
  211    HE2  PHE  27           HE2      PHE  27   3.554  -2.970  -3.341
  212    HZ   PHE  27           HZ       PHE  27   5.049  -4.580  -2.197
  213    H    SER  28           HN       SER  28   4.447   3.341   0.580
  214    HA   SER  28           HA       SER  28   6.281   5.316  -0.268
  215   1HB   SER  28           HB2      SER  28   4.658   5.247   2.283
  216   2HB   SER  28           HB1      SER  28   5.390   6.679   1.581
  217    HG   SER  28           HG       SER  28   3.058   6.064   1.086
  218    H    ALA  29           HN       ALA  29   8.065   6.269   0.690
  219    HA   ALA  29           HA       ALA  29   9.624   4.538   2.494
  220   1HB   ALA  29           HB2      ALA  29  10.166   7.040   0.898
  221   2HB   ALA  29           HB1      ALA  29  11.265   6.596   2.205
  222   3HB   ALA  29           HB3      ALA  29  11.012   5.498   0.846
  223    H    THR  30           HN       THR  30   9.585   4.833   4.686
  224    HA   THR  30           HA       THR  30   7.966   6.913   5.845
  225    HB   THR  30           HB       THR  30   8.346   4.757   6.994
  226    HG1  THR  30           HG1      THR  30   9.304   5.896   9.003
  227   1HG2  THR  30          HG22      THR  30  10.819   4.711   6.192
  228   2HG2  THR  30          HG21      THR  30  11.140   5.675   7.633
  229   3HG2  THR  30          HG23      THR  30  10.444   4.064   7.789
  230    H    TRP  31           HN       TRP  31  11.431   6.545   5.194
  231    HA   TRP  31           HA       TRP  31  12.231   8.887   6.716
  232   1HB   TRP  31           HB2      TRP  31  14.344   8.735   5.490
  233   2HB   TRP  31           HB1      TRP  31  13.847   7.138   6.049
  234    HD1  TRP  31           HD1      TRP  31  13.372   5.343   4.290
  235    HE1  TRP  31           HE1      TRP  31  13.534   5.226   1.722
  236    HE3  TRP  31           HE3      TRP  31  13.935  10.295   3.241
  237    HZ2  TRP  31           HZ2      TRP  31  13.828   7.011  -0.483
  238    HZ3  TRP  31           HZ3      TRP  31  14.132  11.064   0.896
  239    HH2  TRP  31           HH2      TRP  31  14.082   9.429  -0.966
  240    H    CYS  32           HN       CYS  32  10.853   8.456   3.525
  241    HA   CYS  32           HA       CYS  32  11.714  11.119   2.628
  242   1HB   CYS  32           HB2      CYS  32  11.253   9.080   1.116
  243   2HB   CYS  32           HB1      CYS  32   9.543   9.405   1.379
  244    H    GLY  33           HN       GLY  33  10.750  12.918   3.352
  245   1HA   GLY  33           HA2      GLY  33   8.462  12.877   5.053
  246   2HA   GLY  33           HA1      GLY  33   9.165  14.327   4.344
  247    HA   PRO  34           HA       PRO  34   6.089  14.786   1.192
  248   1HB   PRO  34           HB2      PRO  34   7.534  13.246  -0.914
  249   2HB   PRO  34           HB1      PRO  34   6.943  14.915  -0.953
  250   1HG   PRO  34           HG2      PRO  34   9.587  14.298  -0.704
  251   2HG   PRO  34           HG1      PRO  34   8.878  15.758   0.001
  252   1HD   PRO  34           HD2      PRO  34   9.816  13.295   1.364
  253   2HD   PRO  34           HD1      PRO  34   9.633  14.935   2.024
  254    H    ALA  35           HN       ALA  35   7.416  11.477   1.160
  255    HA   ALA  35           HA       ALA  35   4.924  10.298   0.203
  256   1HB   ALA  35           HB2      ALA  35   7.454   9.438   0.106
  257   2HB   ALA  35           HB1      ALA  35   6.998   8.654   1.617
  258   3HB   ALA  35           HB3      ALA  35   6.107   8.306   0.134
  259    H    LYS  36           HN       LYS  36   6.596  10.373   3.376
  260    HA   LYS  36           HA       LYS  36   4.594   8.965   4.847
  261   1HB   LYS  36           HB2      LYS  36   6.908   9.495   5.673
  262   2HB   LYS  36           HB1      LYS  36   6.406  11.175   5.872
  263   1HG   LYS  36           HG2      LYS  36   4.572  10.379   7.395
  264   2HG   LYS  36           HG1      LYS  36   5.249   8.754   7.284
  265   1HD   LYS  36           HD2      LYS  36   7.403   9.601   8.175
  266   2HD   LYS  36           HD1      LYS  36   6.699  11.216   8.314
  267   1HE   LYS  36           HE2      LYS  36   5.026  10.383   9.891
  268   2HE   LYS  36           HE1      LYS  36   5.635   8.738   9.705
  269   1HZ   LYS  36           HZ1      LYS  36   7.860  10.114  10.339
  270   2HZ   LYS  36           HZ3      LYS  36   6.688  10.928  11.257
  271   3HZ   LYS  36           HZ2      LYS  36   6.906   9.253  11.450
  272    H    MET  37           HN       MET  37   4.926  12.337   3.947
  273    HA   MET  37           HA       MET  37   2.926  13.477   5.598
  274   1HB   MET  37           HB2      MET  37   4.587  14.715   4.181
  275   2HB   MET  37           HB1      MET  37   3.632  14.284   2.769
  276   1HG   MET  37           HG2      MET  37   2.392  15.709   5.124
  277   2HG   MET  37           HG1      MET  37   3.195  16.597   3.833
  278   1HE   MET  37           HE3      MET  37   2.795  15.899   1.320
  279   2HE   MET  37           HE2      MET  37   1.155  16.203   0.754
  280   3HE   MET  37           HE1      MET  37   1.971  17.403   1.757
  281    H    ILE  38           HN       ILE  38   2.687  11.619   2.649
  282    HA   ILE  38           HA       ILE  38  -0.129  12.285   2.211
  283    HB   ILE  38           HB       ILE  38   1.631  10.175   0.917
  284   1HG1  ILE  38          HG12      ILE  38   0.784  12.865  -0.195
  285   2HG1  ILE  38          HG11      ILE  38   2.280  12.666   0.719
  286   1HG2  ILE  38          HG23      ILE  38  -1.175  11.159   0.396
  287   2HG2  ILE  38          HG22      ILE  38  -0.189  10.567  -0.939
  288   3HG2  ILE  38          HG21      ILE  38  -0.564   9.505   0.412
  289   1HD1  ILE  38          HD13      ILE  38   2.858  10.796  -0.913
  290   2HD1  ILE  38          HD12      ILE  38   1.519  11.371  -1.898
  291   3HD1  ILE  38          HD11      ILE  38   2.893  12.431  -1.559
  292    H    LYS  39           HN       LYS  39   1.347  10.353   4.469
  293    HA   LYS  39           HA       LYS  39  -0.157   7.961   4.233
  294   1HB   LYS  39           HB2      LYS  39   0.535   7.338   6.377
  295   2HB   LYS  39           HB1      LYS  39   1.853   8.312   5.755
  296   1HG   LYS  39           HG2      LYS  39   1.292  10.155   7.151
  297   2HG   LYS  39           HG1      LYS  39  -0.302   9.514   7.532
  298   1HD   LYS  39           HD2      LYS  39   2.312   8.225   8.335
  299   2HD   LYS  39           HD1      LYS  39   1.333   9.247   9.384
  300   1HE   LYS  39           HE2      LYS  39   0.444   7.228  10.029
  301   2HE   LYS  39           HE1      LYS  39  -0.564   7.459   8.599
  302   1HZ   LYS  39           HZ1      LYS  39   1.565   6.348   7.491
  303   2HZ   LYS  39           HZ3      LYS  39   1.669   5.643   9.032
  304   3HZ   LYS  39           HZ2      LYS  39   0.262   5.440   8.099
  305    HA   PRO  40           HA       PRO  40  -3.370  10.066   7.240
  306   1HB   PRO  40           HB2      PRO  40  -3.814  12.578   5.713
  307   2HB   PRO  40           HB1      PRO  40  -3.711  12.330   7.466
  308   1HG   PRO  40           HG2      PRO  40  -1.742  13.562   6.101
  309   2HG   PRO  40           HG1      PRO  40  -1.393  12.515   7.486
  310   1HD   PRO  40           HD2      PRO  40  -1.106  11.938   4.569
  311   2HD   PRO  40           HD1      PRO  40  -0.055  11.422   5.910
  312    H    PHE  41           HN       PHE  41  -3.495  10.880   3.718
  313    HA   PHE  41           HA       PHE  41  -6.324  10.305   3.499
  314   1HB   PHE  41           HB2      PHE  41  -4.070  10.271   1.466
  315   2HB   PHE  41           HB1      PHE  41  -5.761  10.026   1.054
  316    HD1  PHE  41           HD2      PHE  41  -3.427  12.423   2.672
  317    HD2  PHE  41           HD1      PHE  41  -7.197  11.866   0.693
  318    HE1  PHE  41           HE2      PHE  41  -3.735  14.882   2.576
  319    HE2  PHE  41           HE1      PHE  41  -7.507  14.329   0.595
  320    HZ   PHE  41           HZ       PHE  41  -5.773  15.834   1.534
  321    H    PHE  42           HN       PHE  42  -3.392   8.428   2.779
  322    HA   PHE  42           HA       PHE  42  -4.665   6.011   1.974
  323   1HB   PHE  42           HB2      PHE  42  -2.287   6.482   1.598
  324   2HB   PHE  42           HB1      PHE  42  -1.989   6.468   3.337
  325    HD1  PHE  42           HD1      PHE  42  -3.138   4.367   0.488
  326    HD2  PHE  42           HD2      PHE  42  -1.622   4.431   4.506
  327    HE1  PHE  42           HE1      PHE  42  -2.842   1.908   0.414
  328    HE2  PHE  42           HE2      PHE  42  -1.322   1.970   4.433
  329    HZ   PHE  42           HZ       PHE  42  -1.934   0.706   2.386
  330    H    HIS  43           HN       HIS  43  -3.364   6.958   5.131
  331    HA   HIS  43           HA       HIS  43  -4.287   4.616   6.508
  332   1HB   HIS  43           HB2      HIS  43  -2.413   5.969   7.306
  333   2HB   HIS  43           HB1      HIS  43  -3.482   7.355   7.535
  334    HD1  HIS  43           HD1      HIS  43  -2.426   4.155   9.092
  335    HD2  HIS  43           HD2      HIS  43  -5.346   7.055   9.693
  336    HE1  HIS  43           HE1      HIS  43  -3.434   3.692  11.371
  337    H    SER  44           HN       SER  44  -5.601   7.935   6.261
  338    HA   SER  44           HA       SER  44  -7.784   7.558   8.040
  339   1HB   SER  44           HB2      SER  44  -7.630   9.409   5.644
  340   2HB   SER  44           HB1      SER  44  -8.832   9.500   6.919
  341    HG   SER  44           HG       SER  44  -7.421  10.480   8.115
  342    H    LEU  45           HN       LEU  45  -7.520   6.969   4.548
  343    HA   LEU  45           HA       LEU  45 -10.255   6.409   4.049
  344   1HB   LEU  45           HB2      LEU  45  -7.750   5.339   2.746
  345   2HB   LEU  45           HB1      LEU  45  -9.360   4.969   2.152
  346    HG   LEU  45           HG       LEU  45  -8.528   7.842   2.591
  347   1HD1  LEU  45          HD11      LEU  45  -8.059   6.170   0.099
  348   2HD1  LEU  45          HD13      LEU  45  -7.851   7.920   0.203
  349   3HD1  LEU  45          HD12      LEU  45  -6.803   6.845   1.132
  350   1HD2  LEU  45          HD21      LEU  45 -10.575   6.430   0.862
  351   2HD2  LEU  45          HD23      LEU  45 -10.868   7.584   2.163
  352   3HD2  LEU  45          HD22      LEU  45 -10.151   8.125   0.649
  353    H    SER  46           HN       SER  46  -7.837   4.485   5.679
  354    HA   SER  46           HA       SER  46  -8.881   1.911   5.305
  355   1HB   SER  46           HB2      SER  46  -7.775   3.128   7.848
  356   2HB   SER  46           HB1      SER  46  -7.994   1.405   7.571
  357    HG   SER  46           HG       SER  46  -6.730   2.148   5.486
  358    H    GLU  47           HN       GLU  47 -10.059   4.521   7.376
  359    HA   GLU  47           HA       GLU  47 -12.211   2.809   8.446
  360   1HB   GLU  47           HB2      GLU  47 -11.505   5.743   8.772
  361   2HB   GLU  47           HB1      GLU  47 -12.917   5.005   9.520
  362   1HG   GLU  47           HG2      GLU  47 -11.185   4.944  11.165
  363   2HG   GLU  47           HG1      GLU  47 -11.331   3.300  10.551
  364    H    LYS  48           HN       LYS  48 -11.686   4.794   5.676
  365    HA   LYS  48           HA       LYS  48 -14.522   5.463   5.306
  366   1HB   LYS  48           HB2      LYS  48 -12.674   6.890   4.339
  367   2HB   LYS  48           HB1      LYS  48 -12.307   5.560   3.237
  368   1HG   LYS  48           HG2      LYS  48 -14.637   5.614   2.407
  369   2HG   LYS  48           HG1      LYS  48 -14.973   6.982   3.463
  370   1HD   LYS  48           HD2      LYS  48 -13.212   8.285   2.316
  371   2HD   LYS  48           HD1      LYS  48 -12.917   6.918   1.243
  372   1HE   LYS  48           HE2      LYS  48 -15.169   7.053   0.360
  373   2HE   LYS  48           HE1      LYS  48 -15.593   8.310   1.524
  374   1HZ   LYS  48           HZ3      LYS  48 -13.368   9.293   0.358
  375   2HZ   LYS  48           HZ2      LYS  48 -14.131   8.510  -0.945
  376   3HZ   LYS  48           HZ1      LYS  48 -14.956   9.712  -0.071
  377    H    TYR  49           HN       TYR  49 -12.190   3.041   4.314
  378    HA   TYR  49           HA       TYR  49 -14.438   1.413   3.140
  379   1HB   TYR  49           HB2      TYR  49 -11.540   1.570   2.225
  380   2HB   TYR  49           HB1      TYR  49 -12.719   0.398   1.629
  381    HD1  TYR  49           HD2      TYR  49 -14.947   1.354   0.666
  382    HD2  TYR  49           HD1      TYR  49 -11.370   3.673   1.189
  383    HE1  TYR  49           HE2      TYR  49 -15.790   3.021  -0.964
  384    HE2  TYR  49           HE1      TYR  49 -12.211   5.338  -0.440
  385    HH   TYR  49           HH       TYR  49 -15.290   5.643  -1.333
  386    H    SER  50           HN       SER  50 -14.304   1.023   5.629
  387    HA   SER  50           HA       SER  50 -12.182  -0.486   6.762
  388   1HB   SER  50           HB2      SER  50 -13.738  -0.980   8.521
  389   2HB   SER  50           HB1      SER  50 -14.109   0.638   7.960
  390    HG   SER  50           HG       SER  50 -15.763  -1.349   8.106
  391    H    ASN  51           HN       ASN  51 -14.338  -1.302   4.303
  392    HA   ASN  51           HA       ASN  51 -14.313  -4.206   4.891
  393   1HB   ASN  51           HB2      ASN  51 -16.341  -3.022   3.929
  394   2HB   ASN  51           HB1      ASN  51 -15.411  -2.804   2.446
  395   1HD2  ASN  51          HD22      ASN  51 -16.026  -6.076   1.333
  396   2HD2  ASN  51          HD21      ASN  51 -15.487  -4.505   0.971
  397    H    VAL  52           HN       VAL  52 -12.108  -2.181   3.933
  398    HA   VAL  52           HA       VAL  52 -10.860  -4.054   1.974
  399    HB   VAL  52           HB       VAL  52 -10.865  -1.018   1.966
  400   1HG1  VAL  52          HG13      VAL  52  -8.911  -2.969   0.800
  401   2HG1  VAL  52          HG12      VAL  52  -9.364  -1.580  -0.192
  402   3HG1  VAL  52          HG11      VAL  52  -8.642  -1.334   1.396
  403   1HG2  VAL  52          HG23      VAL  52 -11.736  -3.151   0.003
  404   2HG2  VAL  52          HG22      VAL  52 -12.748  -1.944   0.795
  405   3HG2  VAL  52          HG21      VAL  52 -11.580  -1.447  -0.427
  406    H    ILE  53           HN       ILE  53  -8.676  -4.503   2.459
  407    HA   ILE  53           HA       ILE  53  -7.796  -3.552   5.161
  408    HB   ILE  53           HB       ILE  53  -6.586  -5.731   3.435
  409   1HG1  ILE  53          HG12      ILE  53  -8.887  -6.377   3.803
  410   2HG1  ILE  53          HG11      ILE  53  -7.892  -7.300   4.923
  411   1HG2  ILE  53          HG21      ILE  53  -5.365  -4.652   5.472
  412   2HG2  ILE  53          HG23      ILE  53  -6.527  -5.545   6.446
  413   3HG2  ILE  53          HG22      ILE  53  -5.434  -6.405   5.364
  414   1HD1  ILE  53          HD13      ILE  53  -8.372  -5.424   6.625
  415   2HD1  ILE  53          HD12      ILE  53  -9.650  -4.923   5.520
  416   3HD1  ILE  53          HD11      ILE  53  -9.695  -6.530   6.245
  417    H    PHE  54           HN       PHE  54  -6.353  -1.875   5.188
  418    HA   PHE  54           HA       PHE  54  -4.680  -1.345   2.772
  419   1HB   PHE  54           HB2      PHE  54  -5.278   0.311   5.242
  420   2HB   PHE  54           HB1      PHE  54  -4.181   0.819   3.964
  421    HD1  PHE  54           HD1      PHE  54  -7.709  -0.383   4.476
  422    HD2  PHE  54           HD2      PHE  54  -5.023   2.031   2.145
  423    HE1  PHE  54           HE1      PHE  54  -9.630   0.533   3.198
  424    HE2  PHE  54           HE2      PHE  54  -6.946   2.930   0.864
  425    HZ   PHE  54           HZ       PHE  54  -9.245   2.180   1.391
  426    H    LEU  55           HN       LEU  55  -2.564  -1.971   2.791
  427    HA   LEU  55           HA       LEU  55  -1.222  -2.524   5.420
  428   1HB   LEU  55           HB2      LEU  55  -0.686  -3.607   2.637
  429   2HB   LEU  55           HB1      LEU  55   0.469  -3.786   3.956
  430    HG   LEU  55           HG       LEU  55  -1.093  -5.099   5.233
  431   1HD1  LEU  55          HD12      LEU  55  -3.072  -4.211   3.142
  432   2HD1  LEU  55          HD11      LEU  55  -3.340  -5.687   4.072
  433   3HD1  LEU  55          HD13      LEU  55  -3.197  -4.144   4.902
  434   1HD2  LEU  55          HD21      LEU  55   0.176  -6.146   3.299
  435   2HD2  LEU  55          HD23      LEU  55  -1.254  -7.031   3.828
  436   3HD2  LEU  55          HD22      LEU  55  -1.315  -6.042   2.368
  437    H    GLU  56           HN       GLU  56   0.699  -1.506   5.869
  438    HA   GLU  56           HA       GLU  56   1.633   0.574   3.921
  439   1HB   GLU  56           HB2      GLU  56   0.811   1.400   6.163
  440   2HB   GLU  56           HB1      GLU  56   2.110   0.470   6.916
  441   1HG   GLU  56           HG2      GLU  56   3.755   1.728   5.490
  442   2HG   GLU  56           HG1      GLU  56   2.423   2.738   4.929
  443    H    VAL  57           HN       VAL  57   3.694   0.295   3.146
  444    HA   VAL  57           HA       VAL  57   5.425  -1.777   4.466
  445    HB   VAL  57           HB       VAL  57   5.077  -1.302   1.493
  446   1HG1  VAL  57          HG12      VAL  57   6.609  -3.354   3.102
  447   2HG1  VAL  57          HG11      VAL  57   6.301  -3.492   1.374
  448   3HG1  VAL  57          HG13      VAL  57   7.286  -2.164   1.987
  449   1HG2  VAL  57          HG22      VAL  57   3.997  -3.397   3.377
  450   2HG2  VAL  57          HG21      VAL  57   3.074  -2.287   2.372
  451   3HG2  VAL  57          HG23      VAL  57   4.004  -3.587   1.626
  452    H    ASP  58           HN       ASP  58   7.483  -1.130   4.855
  453    HA   ASP  58           HA       ASP  58   8.367   1.562   3.931
  454   1HB   ASP  58           HB2      ASP  58   8.487   0.837   6.359
  455   2HB   ASP  58           HB1      ASP  58   9.710  -0.336   5.856
  456    H    VAL  59           HN       VAL  59   9.650   1.609   2.091
  457    HA   VAL  59           HA       VAL  59  10.769  -0.828   0.971
  458    HB   VAL  59           HB       VAL  59  11.964   0.699  -0.578
  459   1HG1  VAL  59          HG11      VAL  59   9.079   1.369   0.040
  460   2HG1  VAL  59          HG13      VAL  59   9.911   1.915  -1.416
  461   3HG1  VAL  59          HG12      VAL  59   9.682   0.190  -1.126
  462   1HG2  VAL  59          HG23      VAL  59  10.953   2.815   1.343
  463   2HG2  VAL  59          HG22      VAL  59  12.624   2.491   0.875
  464   3HG2  VAL  59          HG21      VAL  59  11.501   3.185  -0.295
  465    H    ASP  60           HN       ASP  60  11.774   1.336   3.462
  466    HA   ASP  60           HA       ASP  60  14.638   0.622   3.160
  467   1HB   ASP  60           HB2      ASP  60  13.050   2.475   4.920
  468   2HB   ASP  60           HB1      ASP  60  14.716   2.089   5.305
  469    H    ASP  61           HN       ASP  61  12.018   0.059   5.545
  470    HA   ASP  61           HA       ASP  61  13.812  -1.814   7.029
  471   1HB   ASP  61           HB2      ASP  61  11.020  -0.790   7.655
  472   2HB   ASP  61           HB1      ASP  61  11.970  -1.851   8.695
  473    H    ALA  62           HN       ALA  62  11.145  -1.704   4.846
  474    HA   ALA  62           HA       ALA  62  10.777  -4.670   5.059
  475   1HB   ALA  62           HB2      ALA  62   8.779  -2.956   5.433
  476   2HB   ALA  62           HB1      ALA  62   8.784  -2.886   3.671
  477   3HB   ALA  62           HB3      ALA  62   8.521  -4.425   4.492
  478    H    GLN  63           HN       GLN  63  12.896  -3.352   3.737
  479    HA   GLN  63           HA       GLN  63  12.482  -2.903   0.977
  480   1HB   GLN  63           HB2      GLN  63  14.881  -3.112   0.766
  481   2HB   GLN  63           HB1      GLN  63  14.543  -2.324   2.300
  482   1HG   GLN  63           HG2      GLN  63  15.129  -5.279   1.976
  483   2HG   GLN  63           HG1      GLN  63  16.276  -4.068   2.521
  484   1HE2  GLN  63          HE22      GLN  63  14.986  -3.930   5.817
  485   2HE2  GLN  63          HE21      GLN  63  16.105  -3.294   4.711
  486    H    ASP  64           HN       ASP  64  12.516  -5.861   2.771
  487    HA   ASP  64           HA       ASP  64  13.286  -7.593   0.618
  488   1HB   ASP  64           HB2      ASP  64  12.077  -9.352   1.991
  489   2HB   ASP  64           HB1      ASP  64  13.338  -8.469   2.851
  490    H    VAL  65           HN       VAL  65  10.185  -6.256   1.677
  491    HA   VAL  65           HA       VAL  65   8.604  -7.802  -0.185
  492    HB   VAL  65           HB       VAL  65   7.919  -5.102   1.020
  493   1HG1  VAL  65          HG13      VAL  65   6.455  -6.079  -0.801
  494   2HG1  VAL  65          HG12      VAL  65   6.128  -7.434   0.279
  495   3HG1  VAL  65          HG11      VAL  65   5.630  -5.805   0.733
  496   1HG2  VAL  65          HG21      VAL  65   8.014  -7.840   2.248
  497   2HG2  VAL  65          HG23      VAL  65   8.427  -6.287   2.958
  498   3HG2  VAL  65          HG22      VAL  65   6.738  -6.740   2.750
  499    H    ALA  66           HN       ALA  66   9.952  -4.515  -0.166
  500    HA   ALA  66           HA       ALA  66   8.845  -3.800  -2.717
  501   1HB   ALA  66           HB1      ALA  66   9.754  -2.282  -0.796
  502   2HB   ALA  66           HB3      ALA  66  11.310  -2.491  -1.597
  503   3HB   ALA  66           HB2      ALA  66   9.959  -1.767  -2.469
  504    H    SER  67           HN       SER  67  12.044  -5.103  -1.762
  505    HA   SER  67           HA       SER  67  13.218  -4.807  -4.353
  506   1HB   SER  67           HB2      SER  67  14.818  -6.524  -3.655
  507   2HB   SER  67           HB1      SER  67  14.521  -5.414  -2.319
  508    HG   SER  67           HG       SER  67  13.147  -7.868  -2.703
  509    H    GLU  68           HN       GLU  68  11.109  -7.275  -2.982
  510    HA   GLU  68           HA       GLU  68  11.301  -9.186  -5.100
  511   1HB   GLU  68           HB2      GLU  68  10.230  -9.600  -2.874
  512   2HB   GLU  68           HB1      GLU  68   8.890  -8.567  -3.360
  513   1HG   GLU  68           HG2      GLU  68   8.535 -10.095  -5.339
  514   2HG   GLU  68           HG1      GLU  68   9.748 -11.173  -4.650
  515    H    ALA  69           HN       ALA  69   9.240  -6.321  -4.655
  516    HA   ALA  69           HA       ALA  69   7.845  -6.797  -7.195
  517   1HB   ALA  69           HB1      ALA  69   7.737  -4.527  -5.198
  518   2HB   ALA  69           HB3      ALA  69   6.749  -4.597  -6.657
  519   3HB   ALA  69           HB2      ALA  69   6.553  -5.819  -5.400
  520    H    GLU  70           HN       GLU  70  10.851  -5.550  -6.446
  521    HA   GLU  70           HA       GLU  70  12.348  -4.177  -7.634
  522   1HB   GLU  70           HB2      GLU  70  10.419  -4.768  -9.899
  523   2HB   GLU  70           HB1      GLU  70  11.996  -4.021 -10.092
  524   1HG   GLU  70           HG2      GLU  70  11.517  -6.758  -8.908
  525   2HG   GLU  70           HG1      GLU  70  12.027  -6.444 -10.566
  526    H    VAL  71           HN       VAL  71  10.580  -2.721  -6.109
  527    HA   VAL  71           HA       VAL  71   9.004  -0.870  -7.601
  528    HB   VAL  71           HB       VAL  71  10.449  -0.304  -4.998
  529   1HG1  VAL  71          HG12      VAL  71   7.945   0.791  -6.317
  530   2HG1  VAL  71          HG11      VAL  71   8.404   1.140  -4.654
  531   3HG1  VAL  71          HG13      VAL  71   9.440   1.667  -5.985
  532   1HG2  VAL  71          HG21      VAL  71   7.822  -1.728  -5.552
  533   2HG2  VAL  71          HG23      VAL  71   9.238  -2.393  -4.741
  534   3HG2  VAL  71          HG22      VAL  71   8.291  -1.126  -3.964
  535    H    LYS  72           HN       LYS  72   9.595   0.861  -8.796
  536    HA   LYS  72           HA       LYS  72  12.488   1.525  -8.940
  537   1HB   LYS  72           HB2      LYS  72  10.202   2.149 -10.828
  538   2HB   LYS  72           HB1      LYS  72  11.900   2.515 -11.121
  539   1HG   LYS  72           HG2      LYS  72  10.998  -0.320 -10.538
  540   2HG   LYS  72           HG1      LYS  72  10.939   0.341 -12.172
  541   1HD   LYS  72           HD2      LYS  72  13.385   0.914 -11.947
  542   2HD   LYS  72           HD1      LYS  72  13.388   0.027 -10.421
  543   1HE   LYS  72           HE2      LYS  72  12.608  -1.997 -11.576
  544   2HE   LYS  72           HE1      LYS  72  12.581  -1.119 -13.106
  545   1HZ   LYS  72           HZ1      LYS  72  15.051  -0.617 -12.375
  546   2HZ   LYS  72           HZ3      LYS  72  14.855  -2.088 -11.555
  547   3HZ   LYS  72           HZ2      LYS  72  14.636  -2.019 -13.240
  548    H    ALA  73           HN       ALA  73   9.540   2.753  -7.690
  549    HA   ALA  73           HA       ALA  73  10.887   5.207  -6.888
  550   1HB   ALA  73           HB3      ALA  73   9.072   5.200  -9.225
  551   2HB   ALA  73           HB2      ALA  73   8.782   6.489  -8.056
  552   3HB   ALA  73           HB1      ALA  73  10.368   6.324  -8.812
  553    H    THR  74           HN       THR  74   9.628   6.456  -5.353
  554    HA   THR  74           HA       THR  74   7.168   5.092  -4.324
  555    HB   THR  74           HB       THR  74   7.928   5.446  -2.039
  556    HG1  THR  74           HG1      THR  74   9.382   6.857  -1.575
  557   1HG2  THR  74          HG23      THR  74  10.097   4.315  -3.793
  558   2HG2  THR  74          HG22      THR  74  10.129   4.221  -2.038
  559   3HG2  THR  74          HG21      THR  74   8.834   3.433  -2.941
  560    HA   PRO  75           HA       PRO  75   5.798   5.704  -2.507
  561   1HB   PRO  75           HB2      PRO  75   3.216   6.708  -2.493
  562   2HB   PRO  75           HB1      PRO  75   4.464   7.119  -1.311
  563   1HG   PRO  75           HG2      PRO  75   3.385   8.765  -3.524
  564   2HG   PRO  75           HG1      PRO  75   4.174   9.269  -2.024
  565   1HD   PRO  75           HD2      PRO  75   5.361   9.191  -4.616
  566   2HD   PRO  75           HD1      PRO  75   6.208   9.466  -3.066
  567    H    THR  76           HN       THR  76   4.864   3.837  -3.228
  568    HA   THR  76           HA       THR  76   3.412   3.888  -5.851
  569    HB   THR  76           HB       THR  76   5.315   1.730  -4.894
  570    HG1  THR  76           HG1      THR  76   5.716   3.990  -6.240
  571   1HG2  THR  76          HG23      THR  76   3.490   1.985  -7.281
  572   2HG2  THR  76          HG22      THR  76   4.891   0.915  -7.296
  573   3HG2  THR  76          HG21      THR  76   3.600   0.658  -6.125
  574    H    PHE  77           HN       PHE  77   1.513   2.836  -5.814
  575    HA   PHE  77           HA       PHE  77   0.776   1.363  -3.305
  576   1HB   PHE  77           HB2      PHE  77  -1.009   2.765  -5.319
  577   2HB   PHE  77           HB1      PHE  77  -1.555   1.942  -3.854
  578    HD1  PHE  77           HD2      PHE  77   0.200   4.869  -5.209
  579    HD2  PHE  77           HD1      PHE  77  -1.135   2.902  -1.629
  580    HE1  PHE  77           HE2      PHE  77   0.620   6.944  -3.914
  581    HE2  PHE  77           HE1      PHE  77  -0.720   4.979  -0.332
  582    HZ   PHE  77           HZ       PHE  77   0.161   7.000  -1.475
  583    H    GLN  78           HN       GLN  78   0.228  -0.781  -3.513
  584    HA   GLN  78           HA       GLN  78  -0.243  -1.826  -6.289
  585   1HB   GLN  78           HB2      GLN  78   1.328  -3.094  -4.039
  586   2HB   GLN  78           HB1      GLN  78   0.807  -3.963  -5.480
  587   1HG   GLN  78           HG2      GLN  78   1.989  -2.225  -6.860
  588   2HG   GLN  78           HG1      GLN  78   2.640  -1.551  -5.368
  589   1HE2  GLN  78          HE22      GLN  78   5.367  -3.751  -5.805
  590   2HE2  GLN  78          HE21      GLN  78   4.845  -2.137  -5.757
  591    H    PHE  79           HN       PHE  79  -1.876  -3.226  -6.527
  592    HA   PHE  79           HA       PHE  79  -3.658  -3.581  -4.143
  593   1HB   PHE  79           HB2      PHE  79  -4.242  -3.507  -7.111
  594   2HB   PHE  79           HB1      PHE  79  -5.444  -3.850  -5.864
  595    HD1  PHE  79           HD2      PHE  79  -3.102  -1.322  -7.185
  596    HD2  PHE  79           HD1      PHE  79  -6.252  -2.125  -4.399
  597    HE1  PHE  79           HE2      PHE  79  -3.279   1.096  -6.699
  598    HE2  PHE  79           HE1      PHE  79  -6.430   0.294  -3.897
  599    HZ   PHE  79           HZ       PHE  79  -4.949   1.912  -5.050
  600    H    PHE  80           HN       PHE  80  -4.098  -5.533  -3.421
  601    HA   PHE  80           HA       PHE  80  -3.501  -7.905  -5.132
  602   1HB   PHE  80           HB2      PHE  80  -2.918  -7.513  -2.196
  603   2HB   PHE  80           HB1      PHE  80  -2.907  -9.092  -2.986
  604    HD1  PHE  80           HD2      PHE  80  -1.254  -5.784  -2.799
  605    HD2  PHE  80           HD1      PHE  80  -1.208  -9.706  -4.549
  606    HE1  PHE  80           HE2      PHE  80   1.057  -5.401  -3.600
  607    HE2  PHE  80           HE1      PHE  80   1.100  -9.322  -5.355
  608    HZ   PHE  80           HZ       PHE  80   2.235  -7.169  -4.880
  609    H    LYS  81           HN       LYS  81  -4.962  -9.604  -4.969
  610    HA   LYS  81           HA       LYS  81  -7.167  -9.362  -3.011
  611   1HB   LYS  81           HB2      LYS  81  -7.698  -8.058  -5.168
  612   2HB   LYS  81           HB1      LYS  81  -7.733  -9.625  -5.978
  613   1HG   LYS  81           HG2      LYS  81  -9.449 -10.373  -4.304
  614   2HG   LYS  81           HG1      LYS  81  -9.478  -8.729  -3.670
  615   1HD   LYS  81           HD2      LYS  81  -9.974  -7.974  -6.068
  616   2HD   LYS  81           HD1      LYS  81 -10.289  -9.671  -6.424
  617   1HE   LYS  81           HE2      LYS  81 -12.015  -9.726  -4.664
  618   2HE   LYS  81           HE1      LYS  81 -11.699  -8.029  -4.298
  619   1HZ   LYS  81           HZ1      LYS  81 -12.067  -8.175  -7.030
  620   2HZ   LYS  81           HZ3      LYS  81 -13.296  -9.136  -6.361
  621   3HZ   LYS  81           HZ2      LYS  81 -13.134  -7.511  -5.887
  622    H    LYS  82           HN       LYS  82  -7.638 -11.404  -2.299
  623    HA   LYS  82           HA       LYS  82  -7.534 -13.738  -2.108
  624   1HB   LYS  82           HB2      LYS  82  -7.665 -13.565  -5.147
  625   2HB   LYS  82           HB1      LYS  82  -7.843 -15.046  -4.215
  626   1HG   LYS  82           HG2      LYS  82  -9.726 -13.770  -2.955
  627   2HG   LYS  82           HG1      LYS  82  -9.690 -12.668  -4.328
  628   1HD   LYS  82           HD2      LYS  82  -9.922 -14.755  -5.806
  629   2HD   LYS  82           HD1      LYS  82 -10.329 -15.620  -4.326
  630   1HE   LYS  82           HE2      LYS  82 -12.126 -13.886  -3.915
  631   2HE   LYS  82           HE1      LYS  82 -11.800 -13.263  -5.534
  632   1HZ   LYS  82           HZ1      LYS  82 -12.232 -16.134  -5.264
  633   2HZ   LYS  82           HZ3      LYS  82 -13.590 -15.134  -5.079
  634   3HZ   LYS  82           HZ2      LYS  82 -12.685 -15.080  -6.517
  635    H    GLY  83           HN       GLY  83  -5.036 -12.132  -2.327
  636   1HA   GLY  83           HA2      GLY  83  -2.762 -12.723  -2.193
  637   2HA   GLY  83           HA1      GLY  83  -3.207 -14.371  -2.616
  638    H    GLN  84           HN       GLN  84  -4.374 -11.906  -4.756
  639    HA   GLN  84           HA       GLN  84  -2.141 -12.488  -6.664
  640   1HB   GLN  84           HB2      GLN  84  -5.104 -12.323  -7.259
  641   2HB   GLN  84           HB1      GLN  84  -3.842 -12.409  -8.488
  642   1HG   GLN  84           HG2      GLN  84  -3.060 -14.553  -7.471
  643   2HG   GLN  84           HG1      GLN  84  -4.434 -14.484  -6.364
  644   1HE2  GLN  84          HE22      GLN  84  -6.719 -14.654  -9.341
  645   2HE2  GLN  84          HE21      GLN  84  -6.419 -13.479  -8.155
  646    H    LYS  85           HN       LYS  85  -1.382 -10.759  -7.844
  647    HA   LYS  85           HA       LYS  85  -2.150  -8.068  -6.957
  648   1HB   LYS  85           HB2      LYS  85   0.203  -8.666  -7.419
  649   2HB   LYS  85           HB1      LYS  85  -0.208  -8.983  -9.103
  650   1HG   LYS  85           HG2      LYS  85  -0.943  -6.619  -9.343
  651   2HG   LYS  85           HG1      LYS  85  -0.458  -6.319  -7.675
  652   1HD   LYS  85           HD2      LYS  85   1.869  -7.111  -8.313
  653   2HD   LYS  85           HD1      LYS  85   1.330  -7.110  -9.993
  654   1HE   LYS  85           HE2      LYS  85   0.733  -4.708  -9.774
  655   2HE   LYS  85           HE1      LYS  85   1.351  -4.723  -8.121
  656   1HZ   LYS  85           HZ3      LYS  85   3.424  -5.747  -9.458
  657   2HZ   LYS  85           HZ2      LYS  85   2.789  -4.707 -10.642
  658   3HZ   LYS  85           HZ1      LYS  85   3.246  -4.092  -9.126
  659    H    VAL  86           HN       VAL  86  -3.606  -6.774  -7.978
  660    HA   VAL  86           HA       VAL  86  -4.456  -7.499 -10.760
  661    HB   VAL  86           HB       VAL  86  -6.725  -6.623 -10.101
  662   1HG1  VAL  86          HG11      VAL  86  -6.022  -9.103 -10.084
  663   2HG1  VAL  86          HG13      VAL  86  -5.933  -8.940  -8.331
  664   3HG1  VAL  86          HG12      VAL  86  -7.462  -8.669  -9.167
  665   1HG2  VAL  86          HG21      VAL  86  -5.825  -5.363  -8.101
  666   2HG2  VAL  86          HG23      VAL  86  -7.257  -6.337  -7.777
  667   3HG2  VAL  86          HG22      VAL  86  -5.669  -6.917  -7.282
  668    H    GLY  87           HN       GLY  87  -2.824  -5.180  -9.043
  669   1HA   GLY  87           HA2      GLY  87  -3.098  -3.242 -11.141
  670   2HA   GLY  87           HA1      GLY  87  -4.136  -2.771  -9.803
  671    H    GLU  88           HN       GLU  88  -1.917  -1.291 -10.777
  672    HA   GLU  88           HA       GLU  88  -0.562  -0.754  -8.283
  673   1HB   GLU  88           HB2      GLU  88   0.847  -2.595  -8.858
  674   2HB   GLU  88           HB1      GLU  88   1.001  -2.057 -10.522
  675   1HG   GLU  88           HG2      GLU  88   1.923  -0.318  -8.233
  676   2HG   GLU  88           HG1      GLU  88   2.963  -1.585  -8.873
  677    H    PHE  89           HN       PHE  89   0.531   1.255  -8.339
  678    HA   PHE  89           HA       PHE  89   1.024   2.594 -10.857
  679   1HB   PHE  89           HB2      PHE  89  -0.602   4.329 -10.799
  680   2HB   PHE  89           HB1      PHE  89  -1.486   2.820 -10.619
  681    HD1  PHE  89           HD1      PHE  89  -0.051   5.687  -8.758
  682    HD2  PHE  89           HD2      PHE  89  -2.839   2.424  -8.662
  683    HE1  PHE  89           HE1      PHE  89  -1.039   6.600  -6.675
  684    HE2  PHE  89           HE2      PHE  89  -3.828   3.340  -6.571
  685    HZ   PHE  89           HZ       PHE  89  -2.931   5.432  -5.590
  686    H    SER  90           HN       SER  90   1.932   4.778 -10.516
  687    HA   SER  90           HA       SER  90   2.993   5.184  -7.736
  688   1HB   SER  90           HB2      SER  90   5.087   5.979  -8.754
  689   2HB   SER  90           HB1      SER  90   4.772   4.296  -9.188
  690    HG   SER  90           HG       SER  90   4.408   4.892 -11.204
  691    H    GLY  91           HN       GLY  91   3.627   7.407  -7.291
  692   1HA   GLY  91           HA2      GLY  91   3.613   9.775  -8.161
  693   2HA   GLY  91           HA1      GLY  91   2.053   9.408  -8.900
  694    H    ALA  92           HN       ALA  92   2.979  11.299  -6.628
  695    HA   ALA  92           HA       ALA  92   1.613  10.291  -4.265
  696   1HB   ALA  92           HB1      ALA  92   2.901  12.880  -5.083
  697   2HB   ALA  92           HB3      ALA  92   1.906  12.835  -3.629
  698   3HB   ALA  92           HB2      ALA  92   3.330  11.799  -3.759
  699    H    ASN  93           HN       ASN  93  -0.396   9.861  -5.796
  700    HA   ASN  93           HA       ASN  93  -2.205  12.257  -5.641
  701   1HB   ASN  93           HB2      ASN  93  -1.758  11.426  -7.982
  702   2HB   ASN  93           HB1      ASN  93  -2.507   9.900  -7.518
  703   1HD2  ASN  93          HD22      ASN  93  -4.838  13.107  -8.335
  704   2HD2  ASN  93          HD21      ASN  93  -3.150  13.174  -8.471
  705    H    LYS  94           HN       LYS  94  -3.154  11.895  -3.687
  706    HA   LYS  94           HA       LYS  94  -3.808   9.289  -2.669
  707   1HB   LYS  94           HB2      LYS  94  -5.152  10.602  -1.017
  708   2HB   LYS  94           HB1      LYS  94  -3.467  11.081  -1.128
  709   1HG   LYS  94           HG2      LYS  94  -5.222  12.568  -2.998
  710   2HG   LYS  94           HG1      LYS  94  -5.665  12.808  -1.320
  711   1HD   LYS  94           HD2      LYS  94  -3.206  13.338  -0.867
  712   2HD   LYS  94           HD1      LYS  94  -2.988  13.368  -2.623
  713   1HE   LYS  94           HE2      LYS  94  -4.802  15.087  -2.763
  714   2HE   LYS  94           HE1      LYS  94  -4.889  15.095  -1.002
  715   1HZ   LYS  94           HZ3      LYS  94  -2.330  15.595  -2.401
  716   2HZ   LYS  94           HZ2      LYS  94  -3.450  16.852  -2.153
  717   3HZ   LYS  94           HZ1      LYS  94  -2.782  16.031  -0.824
  718    H    GLU  95           HN       GLU  95  -5.662  11.660  -4.551
  719    HA   GLU  95           HA       GLU  95  -8.240  10.488  -4.164
  720   1HB   GLU  95           HB2      GLU  95  -7.134  12.045  -6.523
  721   2HB   GLU  95           HB1      GLU  95  -8.838  11.682  -6.270
  722   1HG   GLU  95           HG2      GLU  95  -7.134  13.187  -4.269
  723   2HG   GLU  95           HG1      GLU  95  -8.141  13.974  -5.482
  724    H    LYS  96           HN       LYS  96  -5.566   9.702  -6.243
  725    HA   LYS  96           HA       LYS  96  -6.885   8.046  -8.145
  726   1HB   LYS  96           HB2      LYS  96  -4.522   8.951  -8.184
  727   2HB   LYS  96           HB1      LYS  96  -4.087   7.678  -7.067
  728   1HG   LYS  96           HG2      LYS  96  -4.604   5.975  -8.643
  729   2HG   LYS  96           HG1      LYS  96  -5.431   7.114  -9.708
  730   1HD   LYS  96           HD2      LYS  96  -3.309   8.296 -10.113
  731   2HD   LYS  96           HD1      LYS  96  -2.472   7.168  -9.046
  732   1HE   LYS  96           HE2      LYS  96  -3.017   5.303 -10.515
  733   2HE   LYS  96           HE1      LYS  96  -3.988   6.356 -11.541
  734   1HZ   LYS  96           HZ1      LYS  96  -1.155   6.978 -11.030
  735   2HZ   LYS  96           HZ3      LYS  96  -1.574   5.834 -12.211
  736   3HZ   LYS  96           HZ2      LYS  96  -2.132   7.435 -12.343
  737    H    LEU  97           HN       LEU  97  -5.658   7.439  -4.901
  738    HA   LEU  97           HA       LEU  97  -5.783   4.596  -4.908
  739   1HB   LEU  97           HB2      LEU  97  -6.247   6.664  -2.747
  740   2HB   LEU  97           HB1      LEU  97  -6.330   4.944  -2.401
  741    HG   LEU  97           HG       LEU  97  -3.917   6.226  -3.684
  742   1HD1  LEU  97          HD11      LEU  97  -4.532   5.775  -0.753
  743   2HD1  LEU  97          HD13      LEU  97  -2.932   6.177  -1.376
  744   3HD1  LEU  97          HD12      LEU  97  -4.260   7.323  -1.546
  745   1HD2  LEU  97          HD23      LEU  97  -4.635   3.512  -3.240
  746   2HD2  LEU  97          HD22      LEU  97  -3.046   4.123  -3.664
  747   3HD2  LEU  97          HD21      LEU  97  -3.468   3.886  -1.974
  748    H    GLU  98           HN       GLU  98  -8.212   7.082  -4.299
  749    HA   GLU  98           HA       GLU  98 -10.296   5.304  -3.467
  750   1HB   GLU  98           HB2      GLU  98 -10.426   7.740  -3.120
  751   2HB   GLU  98           HB1      GLU  98 -10.564   7.985  -4.860
  752   1HG   GLU  98           HG2      GLU  98 -12.665   6.667  -4.880
  753   2HG   GLU  98           HG1      GLU  98 -12.525   6.436  -3.137
  754    H    ALA  99           HN       ALA  99  -9.451   6.514  -6.725
  755    HA   ALA  99           HA       ALA  99 -11.716   5.246  -7.970
  756   1HB   ALA  99           HB2      ALA  99 -10.279   7.090  -8.981
  757   2HB   ALA  99           HB1      ALA  99  -9.077   5.849  -9.335
  758   3HB   ALA  99           HB3      ALA  99 -10.680   5.761 -10.066
  759    H    THR 100           HN       THR 100  -8.328   4.119  -7.580
  760    HA   THR 100           HA       THR 100  -8.816   1.690  -9.040
  761    HB   THR 100           HB       THR 100  -6.762   2.081  -6.840
  762    HG1  THR 100           HG1      THR 100  -6.408   2.528  -9.606
  763   1HG2  THR 100          HG23      THR 100  -6.938   0.302  -9.286
  764   2HG2  THR 100          HG22      THR 100  -5.508   0.445  -8.266
  765   3HG2  THR 100          HG21      THR 100  -7.002  -0.222  -7.604
  766    H    ILE 101           HN       ILE 101  -9.100   2.551  -5.611
  767    HA   ILE 101           HA       ILE 101  -9.784  -0.090  -4.648
  768    HB   ILE 101           HB       ILE 101 -10.511   2.692  -3.654
  769   1HG1  ILE 101          HG12      ILE 101  -8.601   0.665  -2.463
  770   2HG1  ILE 101          HG11      ILE 101  -8.084   1.865  -3.647
  771   1HG2  ILE 101          HG22      ILE 101 -11.082  -0.050  -2.509
  772   2HG2  ILE 101          HG21      ILE 101 -10.989   1.379  -1.479
  773   3HG2  ILE 101          HG23      ILE 101 -12.205   1.287  -2.754
  774   1HD1  ILE 101          HD12      ILE 101  -9.021   3.654  -2.140
  775   2HD1  ILE 101          HD11      ILE 101  -9.303   2.404  -0.929
  776   3HD1  ILE 101          HD13      ILE 101  -7.659   2.774  -1.447
  777    H    ASN 102           HN       ASN 102 -11.672   2.701  -5.717
  778    HA   ASN 102           HA       ASN 102 -14.272   1.565  -5.491
  779   1HB   ASN 102           HB2      ASN 102 -13.691   4.006  -5.881
  780   2HB   ASN 102           HB1      ASN 102 -13.325   3.589  -7.555
  781   1HD2  ASN 102          HD22      ASN 102 -17.165   2.569  -6.950
  782   2HD2  ASN 102          HD21      ASN 102 -15.877   1.693  -6.282
  783    H    GLU 103           HN       GLU 103 -11.840   1.486  -8.015
  784    HA   GLU 103           HA       GLU 103 -13.449   0.259 -10.045
  785   1HB   GLU 103           HB2      GLU 103 -11.228   1.465 -10.339
  786   2HB   GLU 103           HB1      GLU 103 -10.451   0.038  -9.674
  787   1HG   GLU 103           HG2      GLU 103 -12.298  -0.093 -12.072
  788   2HG   GLU 103           HG1      GLU 103 -10.557   0.138 -12.220
  789    H    LEU 104           HN       LEU 104 -11.309  -1.042  -7.520
  790    HA   LEU 104           HA       LEU 104 -11.955  -3.819  -8.361
  791   1HB   LEU 104           HB2      LEU 104 -10.022  -2.718  -6.323
  792   2HB   LEU 104           HB1      LEU 104 -10.219  -4.431  -6.660
  793    HG   LEU 104           HG       LEU 104  -9.424  -2.354  -8.725
  794   1HD1  LEU 104          HD12      LEU 104  -7.774  -4.210  -7.003
  795   2HD1  LEU 104          HD11      LEU 104  -7.153  -3.464  -8.477
  796   3HD1  LEU 104          HD13      LEU 104  -7.653  -2.458  -7.118
  797   1HD2  LEU 104          HD23      LEU 104  -9.672  -5.370  -8.720
  798   2HD2  LEU 104          HD22      LEU 104 -10.300  -4.222  -9.900
  799   3HD2  LEU 104          HD21      LEU 104  -8.575  -4.563  -9.837
  800    H    VAL 105           HN       VAL 105 -13.308  -1.579  -6.224
  801    HA   VAL 105           HA       VAL 105 -13.694  -3.223  -3.898
  802    HB   VAL 105           HB       VAL 105 -14.161  -0.719  -4.070
  803   1HG1  VAL 105          HG13      VAL 105 -15.658  -1.187  -6.195
  804   2HG1  VAL 105          HG12      VAL 105 -16.921  -1.474  -5.004
  805   3HG1  VAL 105          HG11      VAL 105 -16.115   0.090  -5.072
  806   1HG2  VAL 105          HG22      VAL 105 -16.224  -2.608  -2.898
  807   2HG2  VAL 105          HG21      VAL 105 -14.814  -1.932  -2.084
  808   3HG2  VAL 105          HG23      VAL 105 -16.163  -0.885  -2.528
  809    HA   PRO  59           HA       PRO 106  14.125  15.922 -13.839
  810   1HB   PRO  59           HB2      PRO 106  16.679  15.396 -12.353
  811   2HB   PRO  59           HB1      PRO 106  16.181  14.850 -13.967
  812   1HG   PRO  59           HG2      PRO 106  17.935  16.825 -13.677
  813   2HG   PRO  59           HG1      PRO 106  16.709  16.870 -14.959
  814   1HD   PRO  59           HD2      PRO 106  16.806  18.410 -12.388
  815   2HD   PRO  59           HD1      PRO 106  16.163  18.902 -13.971
  816    H    ALA  60           HN       ALA 107  15.043  16.871 -10.545
  817    HA   ALA  60           HA       ALA 107  13.936  14.385  -9.404
  818   1HB   ALA  60           HB3      ALA 107  15.901  15.545  -8.364
  819   2HB   ALA  60           HB2      ALA 107  14.852  16.907  -7.983
  820   3HB   ALA  60           HB1      ALA 107  14.555  15.333  -7.246
  821    H    THR  61           HN       THR 108  11.805  14.165  -8.964
  822    HA   THR  61           HA       THR 108  10.088  16.625  -8.870
  823    HB   THR  61           HB       THR 108   9.241  13.732  -9.244
  824    HG1  THR  61           HG1      THR 108   8.975  14.685 -11.483
  825   1HG2  THR  61          HG22      THR 108   7.527  15.371  -8.447
  826   2HG2  THR  61          HG21      THR 108   7.838  16.339  -9.887
  827   3HG2  THR  61          HG23      THR 108   7.167  14.715 -10.042
  828    H    LEU  62           HN       LEU 109   9.155  17.157  -6.936
  829    HA   LEU  62           HA       LEU 109   9.793  15.744  -4.521
  830   1HB   LEU  62           HB2      LEU 109   7.741  17.887  -5.136
  831   2HB   LEU  62           HB1      LEU 109   8.047  17.289  -3.510
  832    HG   LEU  62           HG       LEU 109  10.210  18.436  -5.301
  833   1HD1  LEU  62          HD12      LEU 109   8.460  20.125  -4.800
  834   2HD1  LEU  62          HD11      LEU 109   8.669  19.809  -3.078
  835   3HD1  LEU  62          HD13      LEU 109   9.991  20.509  -4.012
  836   1HD2  LEU  62          HD23      LEU 109  10.072  17.521  -2.429
  837   2HD2  LEU  62          HD22      LEU 109  11.318  17.207  -3.635
  838   3HD2  LEU  62          HD21      LEU 109  11.210  18.791  -2.880
  839    H    LYS  63           HN       LYS 110   7.071  15.597  -6.724
  840    HA   LYS  63           HA       LYS 110   5.207  14.237  -5.046
  841   1HB   LYS  63           HB2      LYS 110   5.600  13.978  -8.045
  842   2HB   LYS  63           HB1      LYS 110   4.162  13.481  -7.158
  843   1HG   LYS  63           HG2      LYS 110   5.227  16.310  -7.420
  844   2HG   LYS  63           HG1      LYS 110   3.777  15.661  -8.188
  845   1HD   LYS  63           HD2      LYS 110   3.027  15.125  -5.728
  846   2HD   LYS  63           HD1      LYS 110   4.251  16.317  -5.281
  847   1HE   LYS  63           HE2      LYS 110   3.172  18.009  -6.667
  848   2HE   LYS  63           HE1      LYS 110   1.994  16.832  -7.243
  849   1HZ   LYS  63           HZ2      LYS 110   1.666  16.559  -4.637
  850   2HZ   LYS  63           HZ1      LYS 110   2.167  18.183  -4.665
  851   3HZ   LYS  63           HZ3      LYS 110   0.802  17.702  -5.548
  852    H    ILE  64           HN       ILE 111   8.141  13.154  -6.515
  853    HA   ILE  64           HA       ILE 111   7.547  10.337  -5.635
  854    HB   ILE  64           HB       ILE 111   9.035  11.260  -8.118
  855   1HG1  ILE  64          HG12      ILE 111   6.589  11.230  -8.371
  856   2HG1  ILE  64          HG11      ILE 111   7.326   9.944  -9.316
  857   1HG2  ILE  64          HG23      ILE 111   8.810   8.538  -6.824
  858   2HG2  ILE  64          HG22      ILE 111   9.215   8.742  -8.527
  859   3HG2  ILE  64          HG21      ILE 111  10.276   9.406  -7.284
  860   1HD1  ILE  64          HD12      ILE 111   6.871   8.569  -7.027
  861   2HD1  ILE  64          HD11      ILE 111   5.585   9.762  -6.906
  862   3HD1  ILE  64          HD13      ILE 111   5.673   8.703  -8.311
  863    H    CYS  65           HN       CYS 112   9.261   9.367  -4.466
  864    HA   CYS  65           HA       CYS 112  11.603  11.109  -3.873
  865   1HB   CYS  65           HB2      CYS 112  10.912   8.471  -2.547
  866   2HB   CYS  65           HB1      CYS 112  12.007   9.707  -1.956
  867    H    SER  66           HN       SER 113  13.541  10.618  -4.870
  868    HA   SER  66           HA       SER 113  13.650   8.403  -6.759
  869   1HB   SER  66           HB2      SER 113  15.822  10.306  -5.821
  870   2HB   SER  66           HB1      SER 113  15.941   9.227  -7.206
  871    HG   SER  66           HG       SER 113  14.606  11.616  -6.914
  872    H    TRP  67           HN       TRP 114  14.806   6.451  -6.577
  873    HA   TRP  67           HA       TRP 114  15.508   5.565  -3.876
  874   1HB   TRP  67           HB2      TRP 114  15.731   4.244  -6.603
  875   2HB   TRP  67           HB1      TRP 114  16.212   3.451  -5.097
  876    HD1  TRP  67           HD1      TRP 114  13.115   5.480  -6.232
  877    HE1  TRP  67           HE1      TRP 114  11.024   4.263  -5.366
  878    HE3  TRP  67           HE3      TRP 114  15.274   1.491  -3.898
  879    HZ2  TRP  67           HZ2      TRP 114  10.370   1.957  -3.873
  880    HZ3  TRP  67           HZ3      TRP 114  13.886  -0.202  -2.757
  881    HH2  TRP  67           HH2      TRP 114  11.421   0.023  -2.753
  882    H    ASN  68           HN       ASN 115  17.114   7.216  -6.355
  883    HA   ASN  68           HA       ASN 115  19.749   6.219  -6.245
  884   1HB   ASN  68           HB2      ASN 115  18.730   9.062  -6.526
  885   2HB   ASN  68           HB1      ASN 115  20.424   8.608  -6.740
  886   1HD2  ASN  68          HD22      ASN 115  18.401   6.345  -9.362
  887   2HD2  ASN  68          HD21      ASN 115  18.399   6.048  -7.691
  888    H    VAL  69           HN       VAL 116  17.854   7.508  -3.757
  889    HA   VAL  69           HA       VAL 116  19.861   8.832  -2.188
  890    HB   VAL  69           HB       VAL 116  18.311   8.353  -0.264
  891   1HG1  VAL  69          HG12      VAL 116  17.109   9.450  -2.822
  892   2HG1  VAL  69          HG11      VAL 116  16.397   9.658  -1.221
  893   3HG1  VAL  69          HG13      VAL 116  17.972  10.361  -1.584
  894   1HG2  VAL  69          HG22      VAL 116  17.514   6.143  -1.158
  895   2HG2  VAL  69          HG21      VAL 116  16.195   7.220  -0.712
  896   3HG2  VAL  69          HG23      VAL 116  16.629   7.009  -2.405
  897    H    ASP  70           HN       ASP 117  21.232   7.995  -0.579
  898    HA   ASP  70           HA       ASP 117  22.235   5.352  -0.939
  899   1HB   ASP  70           HB2      ASP 117  22.461   7.313   1.358
  900   2HB   ASP  70           HB1      ASP 117  23.297   5.760   1.352
  901    H    GLY  71           HN       GLY 118  19.864   6.694   1.331
  902   1HA   GLY  71           HA2      GLY 118  18.152   5.555   2.494
  903   2HA   GLY  71           HA1      GLY 118  18.664   4.065   1.703
   
  No H/Q in entry =         903
  Start of MODEL   29
    1   1H    MET   1           HT3      MET   1  -8.932  -1.712   8.667
    2   2H    MET   1           HT2      MET   1  -8.739  -3.106   9.621
    3   3H    MET   1           HT1      MET   1  -9.844  -1.902  10.085
    4    HA   MET   1           HA       MET   1  -8.166  -0.400  10.674
    5   1HB   MET   1           HB2      MET   1  -7.320  -3.214  11.442
    6   2HB   MET   1           HB1      MET   1  -6.754  -1.743  12.232
    7   1HG   MET   1           HG2      MET   1  -9.673  -2.521  12.009
    8   2HG   MET   1           HG1      MET   1  -8.673  -2.856  13.422
    9   1HE   MET   1           HE3      MET   1  -7.067  -0.849  14.378
   10   2HE   MET   1           HE2      MET   1  -8.090   0.334  15.187
   11   3HE   MET   1           HE1      MET   1  -8.459  -1.382  15.329
   12    H    VAL   2           HN       VAL   2  -5.599  -0.324  10.963
   13    HA   VAL   2           HA       VAL   2  -4.467  -0.757   8.231
   14    HB   VAL   2           HB       VAL   2  -3.552   0.948  10.567
   15   1HG1  VAL   2          HG12      VAL   2  -2.364   0.476   7.816
   16   2HG1  VAL   2          HG11      VAL   2  -1.945   1.862   8.825
   17   3HG1  VAL   2          HG13      VAL   2  -1.580   0.226   9.376
   18   1HG2  VAL   2          HG21      VAL   2  -4.745   1.563   7.850
   19   2HG2  VAL   2          HG23      VAL   2  -5.531   1.795   9.411
   20   3HG2  VAL   2          HG22      VAL   2  -4.136   2.777   8.971
   21    H    LYS   3           HN       LYS   3  -2.563  -1.970   7.936
   22    HA   LYS   3           HA       LYS   3  -1.457  -3.391  10.336
   23   1HB   LYS   3           HB2      LYS   3  -3.008  -4.838   8.963
   24   2HB   LYS   3           HB1      LYS   3  -1.941  -4.593   7.586
   25   1HG   LYS   3           HG2      LYS   3  -1.132  -6.614   8.428
   26   2HG   LYS   3           HG1      LYS   3  -0.076  -5.464   9.240
   27   1HD   LYS   3           HD2      LYS   3  -0.750  -6.762  11.044
   28   2HD   LYS   3           HD1      LYS   3  -1.974  -5.503  11.099
   29   1HE   LYS   3           HE2      LYS   3  -3.527  -6.937   9.837
   30   2HE   LYS   3           HE1      LYS   3  -2.293  -8.192   9.731
   31   1HZ   LYS   3           HZ2      LYS   3  -2.494  -7.492  12.404
   32   2HZ   LYS   3           HZ1      LYS   3  -4.089  -7.649  11.838
   33   3HZ   LYS   3           HZ3      LYS   3  -3.000  -8.940  11.674
   34    H    GLN   4           HN       GLN   4   0.739  -3.180  10.445
   35    HA   GLN   4           HA       GLN   4   2.159  -2.031   8.081
   36   1HB   GLN   4           HB2      GLN   4   2.427  -0.866  10.258
   37   2HB   GLN   4           HB1      GLN   4   3.068  -2.348  10.964
   38   1HG   GLN   4           HG2      GLN   4   4.946  -2.319   9.372
   39   2HG   GLN   4           HG1      GLN   4   4.299  -0.860   8.621
   40   1HE2  GLN   4          HE22      GLN   4   6.294   1.015  10.852
   41   2HE2  GLN   4          HE21      GLN   4   5.902   0.667   9.237
   42    H    ILE   5           HN       ILE   5   3.325  -3.413   6.839
   43    HA   ILE   5           HA       ILE   5   4.026  -6.102   7.943
   44    HB   ILE   5           HB       ILE   5   4.229  -5.128   5.088
   45   1HG1  ILE   5          HG12      ILE   5   1.901  -4.916   5.693
   46   2HG1  ILE   5          HG11      ILE   5   2.078  -6.407   4.772
   47   1HG2  ILE   5          HG23      ILE   5   4.203  -7.846   6.407
   48   2HG2  ILE   5          HG22      ILE   5   4.077  -7.584   4.678
   49   3HG2  ILE   5          HG21      ILE   5   5.534  -7.096   5.526
   50   1HD1  ILE   5          HD13      ILE   5   2.359  -7.568   7.069
   51   2HD1  ILE   5          HD12      ILE   5   1.690  -6.084   7.745
   52   3HD1  ILE   5          HD11      ILE   5   0.740  -7.042   6.609
   53    H    GLU   6           HN       GLU   6   6.067  -6.145   8.805
   54    HA   GLU   6           HA       GLU   6   8.134  -4.308   7.728
   55   1HB   GLU   6           HB2      GLU   6   8.180  -6.149  10.141
   56   2HB   GLU   6           HB1      GLU   6   9.420  -4.972   9.713
   57   1HG   GLU   6           HG2      GLU   6   8.132  -3.795  11.280
   58   2HG   GLU   6           HG1      GLU   6   7.467  -3.244   9.745
   59    H    SER   7           HN       SER   7   7.048  -7.384   7.042
   60    HA   SER   7           HA       SER   7   9.658  -8.080   5.823
   61   1HB   SER   7           HB2      SER   7   9.684 -10.337   6.826
   62   2HB   SER   7           HB1      SER   7   9.816  -9.085   8.062
   63    HG   SER   7           HG       SER   7   7.270  -9.445   7.752
   64    H    LYS   8           HN       LYS   8   9.496  -9.782   4.238
   65    HA   LYS   8           HA       LYS   8   7.033  -9.802   2.747
   66   1HB   LYS   8           HB2      LYS   8   9.367 -10.267   1.815
   67   2HB   LYS   8           HB1      LYS   8   9.238 -11.865   2.553
   68   1HG   LYS   8           HG2      LYS   8   6.993 -12.069   1.298
   69   2HG   LYS   8           HG1      LYS   8   7.542 -10.679   0.360
   70   1HD   LYS   8           HD2      LYS   8   9.098 -13.264   0.671
   71   2HD   LYS   8           HD1      LYS   8   8.101 -12.859  -0.726
   72   1HE   LYS   8           HE2      LYS   8   9.520 -10.716  -0.893
   73   2HE   LYS   8           HE1      LYS   8  10.634 -11.515   0.216
   74   1HZ   LYS   8           HZ1      LYS   8   9.706 -12.675  -2.353
   75   2HZ   LYS   8           HZ3      LYS   8  11.183 -11.868  -2.146
   76   3HZ   LYS   8           HZ2      LYS   8  10.885 -13.318  -1.313
   77    H    THR   9           HN       THR   9   8.423 -11.854   5.224
   78    HA   THR   9           HA       THR   9   6.791 -14.142   4.888
   79    HB   THR   9           HB       THR   9   7.723 -12.963   7.519
   80    HG1  THR   9           HG1      THR   9   9.284 -14.899   6.715
   81   1HG2  THR   9          HG21      THR   9   6.908 -15.739   6.635
   82   2HG2  THR   9          HG23      THR   9   7.779 -15.422   8.135
   83   3HG2  THR   9          HG22      THR   9   6.167 -14.750   7.892
   84    H    ALA  10           HN       ALA  10   6.240 -11.246   6.885
   85    HA   ALA  10           HA       ALA  10   3.577 -12.044   7.675
   86   1HB   ALA  10           HB2      ALA  10   5.152  -9.475   7.775
   87   2HB   ALA  10           HB1      ALA  10   3.430  -9.462   8.158
   88   3HB   ALA  10           HB3      ALA  10   4.540 -10.447   9.111
   89    H    PHE  11           HN       PHE  11   4.921 -10.343   4.923
   90    HA   PHE  11           HA       PHE  11   2.555  -9.090   3.943
   91   1HB   PHE  11           HB2      PHE  11   4.942  -8.850   3.051
   92   2HB   PHE  11           HB1      PHE  11   4.721 -10.398   2.263
   93    HD1  PHE  11           HD1      PHE  11   2.924  -7.127   2.652
   94    HD2  PHE  11           HD2      PHE  11   3.950 -10.394   0.060
   95    HE1  PHE  11           HE1      PHE  11   1.775  -6.001   0.769
   96    HE2  PHE  11           HE2      PHE  11   2.795  -9.270  -1.817
   97    HZ   PHE  11           HZ       PHE  11   1.708  -7.075  -1.458
   98    H    GLN  12           HN       GLN  12   3.882 -12.331   3.412
   99    HA   GLN  12           HA       GLN  12   1.788 -13.202   1.637
  100   1HB   GLN  12           HB2      GLN  12   3.599 -14.787   3.499
  101   2HB   GLN  12           HB1      GLN  12   2.645 -15.472   2.185
  102   1HG   GLN  12           HG2      GLN  12   4.820 -13.377   1.862
  103   2HG   GLN  12           HG1      GLN  12   4.999 -15.093   1.498
  104   1HE2  GLN  12          HE22      GLN  12   3.470 -12.701  -1.306
  105   2HE2  GLN  12          HE21      GLN  12   4.304 -12.148   0.063
  106    H    GLU  13           HN       GLU  13   2.275 -13.473   5.154
  107    HA   GLU  13           HA       GLU  13  -0.092 -14.992   5.710
  108   1HB   GLU  13           HB2      GLU  13   1.501 -13.054   7.415
  109   2HB   GLU  13           HB1      GLU  13   0.215 -14.067   8.045
  110   1HG   GLU  13           HG2      GLU  13   2.669 -15.125   6.617
  111   2HG   GLU  13           HG1      GLU  13   2.489 -15.058   8.370
  112    H    ALA  14           HN       ALA  14   0.488 -11.516   5.440
  113    HA   ALA  14           HA       ALA  14  -2.089 -10.724   6.436
  114   1HB   ALA  14           HB3      ALA  14   0.059  -9.298   6.068
  115   2HB   ALA  14           HB2      ALA  14  -0.523  -9.124   4.413
  116   3HB   ALA  14           HB1      ALA  14  -1.506  -8.547   5.760
  117    H    LEU  15           HN       LEU  15  -0.834 -11.349   3.165
  118    HA   LEU  15           HA       LEU  15  -3.200 -10.627   1.761
  119   1HB   LEU  15           HB2      LEU  15  -1.022 -12.637   1.150
  120   2HB   LEU  15           HB1      LEU  15  -2.299 -12.226   0.008
  121    HG   LEU  15           HG       LEU  15  -0.477 -10.165   1.274
  122   1HD1  LEU  15          HD13      LEU  15  -0.172 -11.755  -1.272
  123   2HD1  LEU  15          HD12      LEU  15   0.585 -10.173  -1.077
  124   3HD1  LEU  15          HD11      LEU  15   1.013 -11.495   0.009
  125   1HD2  LEU  15          HD21      LEU  15  -2.585 -10.118  -0.880
  126   2HD2  LEU  15          HD23      LEU  15  -2.312  -8.978   0.437
  127   3HD2  LEU  15          HD22      LEU  15  -1.246  -8.975  -0.962
  128    H    ASP  16           HN       ASP  16  -2.164 -13.663   3.276
  129    HA   ASP  16           HA       ASP  16  -4.453 -15.175   2.400
  130   1HB   ASP  16           HB2      ASP  16  -2.238 -16.107   3.289
  131   2HB   ASP  16           HB1      ASP  16  -2.849 -15.723   4.900
  132    H    ALA  17           HN       ALA  17  -3.740 -13.218   5.251
  133    HA   ALA  17           HA       ALA  17  -6.073 -13.966   6.755
  134   1HB   ALA  17           HB3      ALA  17  -3.998 -12.806   7.648
  135   2HB   ALA  17           HB2      ALA  17  -4.609 -11.324   6.911
  136   3HB   ALA  17           HB1      ALA  17  -5.531 -12.120   8.188
  137    H    ALA  18           HN       ALA  18  -5.454 -11.412   4.382
  138    HA   ALA  18           HA       ALA  18  -7.887  -9.963   4.780
  139   1HB   ALA  18           HB1      ALA  18  -6.050 -10.278   2.400
  140   2HB   ALA  18           HB3      ALA  18  -7.491  -9.263   2.339
  141   3HB   ALA  18           HB2      ALA  18  -6.202  -8.896   3.485
  142    H    GLY  19           HN       GLY  19  -7.172 -12.938   3.087
  143   1HA   GLY  19           HA2      GLY  19  -8.627 -14.519   2.141
  144   2HA   GLY  19           HA1      GLY  19  -9.956 -13.644   2.904
  145    H    ASP  20           HN       ASP  20 -11.412 -13.164   1.332
  146    HA   ASP  20           HA       ASP  20 -10.476 -12.514  -1.400
  147   1HB   ASP  20           HB2      ASP  20 -13.270 -12.900  -0.287
  148   2HB   ASP  20           HB1      ASP  20 -12.868 -12.669  -1.990
  149    H    LYS  21           HN       LYS  21 -10.713 -10.717   1.282
  150    HA   LYS  21           HA       LYS  21 -12.347  -8.487   0.355
  151   1HB   LYS  21           HB2      LYS  21 -10.275  -8.736   2.557
  152   2HB   LYS  21           HB1      LYS  21 -11.190  -7.262   2.250
  153   1HG   LYS  21           HG2      LYS  21 -13.296  -8.717   2.469
  154   2HG   LYS  21           HG1      LYS  21 -12.233  -9.951   3.148
  155   1HD   LYS  21           HD2      LYS  21 -11.465  -8.327   4.857
  156   2HD   LYS  21           HD1      LYS  21 -12.580  -7.127   4.200
  157   1HE   LYS  21           HE2      LYS  21 -13.679  -8.155   6.073
  158   2HE   LYS  21           HE1      LYS  21 -14.446  -8.780   4.613
  159   1HZ   LYS  21           HZ3      LYS  21 -12.153 -10.249   5.670
  160   2HZ   LYS  21           HZ2      LYS  21 -13.612 -10.361   6.532
  161   3HZ   LYS  21           HZ1      LYS  21 -13.549 -10.828   4.900
  162    H    LEU  22           HN       LEU  22 -11.553  -6.455  -0.460
  163    HA   LEU  22           HA       LEU  22  -9.370  -6.613  -2.270
  164   1HB   LEU  22           HB2      LEU  22 -11.412  -4.808  -1.794
  165   2HB   LEU  22           HB1      LEU  22 -10.017  -3.914  -1.214
  166    HG   LEU  22           HG       LEU  22 -10.401  -5.070  -3.982
  167   1HD1  LEU  22          HD13      LEU  22 -10.789  -2.395  -2.754
  168   2HD1  LEU  22          HD12      LEU  22  -9.829  -2.364  -4.226
  169   3HD1  LEU  22          HD11      LEU  22 -11.444  -3.059  -4.247
  170   1HD2  LEU  22          HD21      LEU  22  -7.977  -3.872  -2.632
  171   2HD2  LEU  22          HD23      LEU  22  -8.073  -5.324  -3.627
  172   3HD2  LEU  22          HD22      LEU  22  -8.187  -3.737  -4.375
  173    H    VAL  23           HN       VAL  23  -7.230  -5.595  -2.053
  174    HA   VAL  23           HA       VAL  23  -6.403  -4.885   0.708
  175    HB   VAL  23           HB       VAL  23  -4.987  -6.955  -0.999
  176   1HG1  VAL  23          HG11      VAL  23  -4.344  -5.579   1.606
  177   2HG1  VAL  23          HG13      VAL  23  -3.693  -7.181   1.251
  178   3HG1  VAL  23          HG12      VAL  23  -3.311  -5.820   0.199
  179   1HG2  VAL  23          HG22      VAL  23  -6.698  -7.174   1.483
  180   2HG2  VAL  23          HG21      VAL  23  -6.889  -8.027  -0.049
  181   3HG2  VAL  23          HG23      VAL  23  -5.546  -8.427   1.021
  182    H    VAL  24           HN       VAL  24  -5.461  -2.962   0.475
  183    HA   VAL  24           HA       VAL  24  -4.043  -2.345  -2.080
  184    HB   VAL  24           HB       VAL  24  -4.953  -0.457   0.122
  185   1HG1  VAL  24          HG11      VAL  24  -3.052   0.316  -1.310
  186   2HG1  VAL  24          HG13      VAL  24  -4.069   0.077  -2.730
  187   3HG1  VAL  24          HG12      VAL  24  -4.509   1.286  -1.524
  188   1HG2  VAL  24          HG23      VAL  24  -6.227  -1.233  -2.513
  189   2HG2  VAL  24          HG22      VAL  24  -6.907  -1.454  -0.904
  190   3HG2  VAL  24          HG21      VAL  24  -6.717   0.170  -1.567
  191    H    VAL  25           HN       VAL  25  -1.830  -1.869  -2.001
  192    HA   VAL  25           HA       VAL  25  -0.519  -1.976   0.708
  193    HB   VAL  25           HB       VAL  25   0.509  -3.046  -1.933
  194   1HG1  VAL  25          HG11      VAL  25   1.747  -2.807   0.808
  195   2HG1  VAL  25          HG13      VAL  25   2.367  -3.907  -0.422
  196   3HG1  VAL  25          HG12      VAL  25   2.370  -2.168  -0.713
  197   1HG2  VAL  25          HG23      VAL  25  -1.266  -4.382  -0.671
  198   2HG2  VAL  25          HG22      VAL  25   0.253  -5.221  -0.981
  199   3HG2  VAL  25          HG21      VAL  25  -0.075  -4.556   0.617
  200    H    ASP  26           HN       ASP  26   0.491  -0.146   1.191
  201    HA   ASP  26           HA       ASP  26   1.154   1.790  -0.988
  202   1HB   ASP  26           HB2      ASP  26  -0.282   2.558   0.864
  203   2HB   ASP  26           HB1      ASP  26   0.995   2.167   2.013
  204    H    PHE  27           HN       PHE  27   3.257   1.520  -1.674
  205    HA   PHE  27           HA       PHE  27   5.370   0.790   0.302
  206   1HB   PHE  27           HB2      PHE  27   5.376   1.214  -2.709
  207   2HB   PHE  27           HB1      PHE  27   6.853   0.973  -1.778
  208    HD1  PHE  27           HD1      PHE  27   7.353  -1.177  -0.741
  209    HD2  PHE  27           HD2      PHE  27   3.772  -0.596  -3.040
  210    HE1  PHE  27           HE1      PHE  27   7.040  -3.634  -0.876
  211    HE2  PHE  27           HE2      PHE  27   3.457  -3.052  -3.156
  212    HZ   PHE  27           HZ       PHE  27   5.089  -4.570  -2.080
  213    H    SER  28           HN       SER  28   5.786   2.600   1.538
  214    HA   SER  28           HA       SER  28   6.538   5.111   0.063
  215   1HB   SER  28           HB2      SER  28   5.044   4.922   2.699
  216   2HB   SER  28           HB1      SER  28   5.609   6.407   1.942
  217    HG   SER  28           HG       SER  28   3.486   6.103   1.351
  218    H    ALA  29           HN       ALA  29   8.325   6.190   0.937
  219    HA   ALA  29           HA       ALA  29  10.036   4.509   2.654
  220   1HB   ALA  29           HB2      ALA  29  10.379   6.899   0.897
  221   2HB   ALA  29           HB1      ALA  29  11.474   6.797   2.275
  222   3HB   ALA  29           HB3      ALA  29  11.427   5.496   1.082
  223    H    THR  30           HN       THR  30   9.943   4.735   4.853
  224    HA   THR  30           HA       THR  30   8.356   6.807   6.063
  225    HB   THR  30           HB       THR  30   8.783   4.650   7.205
  226    HG1  THR  30           HG1      THR  30   8.339   5.966   8.779
  227   1HG2  THR  30          HG23      THR  30  11.168   4.468   6.385
  228   2HG2  THR  30          HG22      THR  30  11.610   5.649   7.618
  229   3HG2  THR  30          HG21      THR  30  10.944   4.086   8.092
  230    H    TRP  31           HN       TRP  31  11.756   6.453   5.257
  231    HA   TRP  31           HA       TRP  31  12.668   8.772   6.741
  232   1HB   TRP  31           HB2      TRP  31  14.694   8.593   5.394
  233   2HB   TRP  31           HB1      TRP  31  14.201   6.999   5.959
  234    HD1  TRP  31           HD1      TRP  31  13.556   5.235   4.202
  235    HE1  TRP  31           HE1      TRP  31  13.650   5.144   1.629
  236    HE3  TRP  31           HE3      TRP  31  14.260  10.175   3.191
  237    HZ2  TRP  31           HZ2      TRP  31  13.956   6.946  -0.569
  238    HZ3  TRP  31           HZ3      TRP  31  14.430  10.967   0.852
  239    HH2  TRP  31           HH2      TRP  31  14.278   9.362  -1.029
  240    H    CYS  32           HN       CYS  32  11.141   8.366   3.604
  241    HA   CYS  32           HA       CYS  32  11.942  11.050   2.703
  242   1HB   CYS  32           HB2      CYS  32  11.438   8.950   1.235
  243   2HB   CYS  32           HB1      CYS  32   9.749   9.379   1.467
  244    H    GLY  33           HN       GLY  33  10.995  12.797   3.530
  245   1HA   GLY  33           HA2      GLY  33   8.723  12.774   5.218
  246   2HA   GLY  33           HA1      GLY  33   9.399  14.216   4.470
  247    HA   PRO  34           HA       PRO  34   6.232  14.629   1.424
  248   1HB   PRO  34           HB2      PRO  34   7.650  13.150  -0.746
  249   2HB   PRO  34           HB1      PRO  34   7.035  14.812  -0.733
  250   1HG   PRO  34           HG2      PRO  34   9.688  14.247  -0.569
  251   2HG   PRO  34           HG1      PRO  34   8.971  15.667   0.211
  252   1HD   PRO  34           HD2      PRO  34   9.962  13.147   1.454
  253   2HD   PRO  34           HD1      PRO  34   9.823  14.771   2.170
  254    H    ALA  35           HN       ALA  35   7.623  11.358   1.417
  255    HA   ALA  35           HA       ALA  35   5.186  10.114   0.419
  256   1HB   ALA  35           HB2      ALA  35   7.679   9.258   0.342
  257   2HB   ALA  35           HB1      ALA  35   7.291   8.583   1.923
  258   3HB   ALA  35           HB3      ALA  35   6.357   8.103   0.505
  259    H    LYS  36           HN       LYS  36   6.800  10.145   3.626
  260    HA   LYS  36           HA       LYS  36   4.709   8.783   5.005
  261   1HB   LYS  36           HB2      LYS  36   7.014   9.221   5.914
  262   2HB   LYS  36           HB1      LYS  36   6.539  10.901   6.169
  263   1HG   LYS  36           HG2      LYS  36   4.631  10.088   7.587
  264   2HG   LYS  36           HG1      LYS  36   5.268   8.450   7.427
  265   1HD   LYS  36           HD2      LYS  36   7.395   9.161   8.443
  266   2HD   LYS  36           HD1      LYS  36   6.783  10.809   8.584
  267   1HE   LYS  36           HE2      LYS  36   5.064  10.108  10.137
  268   2HE   LYS  36           HE1      LYS  36   5.465   8.408   9.885
  269   1HZ   LYS  36           HZ3      LYS  36   7.816   9.710  10.581
  270   2HZ   LYS  36           HZ2      LYS  36   6.631  10.248  11.673
  271   3HZ   LYS  36           HZ1      LYS  36   6.944   8.586  11.505
  272    H    MET  37           HN       MET  37   5.168  12.197   4.236
  273    HA   MET  37           HA       MET  37   3.109  13.296   5.853
  274   1HB   MET  37           HB2      MET  37   4.849  14.590   4.580
  275   2HB   MET  37           HB1      MET  37   3.950  14.253   3.104
  276   1HG   MET  37           HG2      MET  37   3.278  16.439   3.902
  277   2HG   MET  37           HG1      MET  37   1.936  15.325   4.169
  278   1HE   MET  37           HE3      MET  37   5.165  16.826   5.761
  279   2HE   MET  37           HE2      MET  37   3.924  18.064   5.583
  280   3HE   MET  37           HE1      MET  37   4.456  17.585   7.192
  281    H    ILE  38           HN       ILE  38   2.965  11.547   2.828
  282    HA   ILE  38           HA       ILE  38   0.201  12.293   2.251
  283    HB   ILE  38           HB       ILE  38   2.039  10.190   1.063
  284   1HG1  ILE  38          HG12      ILE  38   0.981  12.729  -0.196
  285   2HG1  ILE  38          HG11      ILE  38   2.460  12.722   0.766
  286   1HG2  ILE  38          HG23      ILE  38  -0.823  10.927   0.446
  287   2HG2  ILE  38          HG22      ILE  38   0.239  10.308  -0.818
  288   3HG2  ILE  38          HG21      ILE  38  -0.103   9.324   0.601
  289   1HD1  ILE  38          HD13      ILE  38   3.364  10.946  -0.707
  290   2HD1  ILE  38          HD12      ILE  38   1.930  11.073  -1.715
  291   3HD1  ILE  38          HD11      ILE  38   3.038  12.440  -1.571
  292    H    LYS  39           HN       LYS  39   1.519  10.224   4.552
  293    HA   LYS  39           HA       LYS  39  -0.111   7.937   4.249
  294   1HB   LYS  39           HB2      LYS  39   0.526   7.230   6.376
  295   2HB   LYS  39           HB1      LYS  39   1.881   8.186   5.815
  296   1HG   LYS  39           HG2      LYS  39   1.397   9.972   7.285
  297   2HG   LYS  39           HG1      LYS  39  -0.257   9.449   7.561
  298   1HD   LYS  39           HD2      LYS  39   2.219   7.966   8.486
  299   2HD   LYS  39           HD1      LYS  39   1.202   8.987   9.499
  300   1HE   LYS  39           HE2      LYS  39   0.199   6.973   9.988
  301   2HE   LYS  39           HE1      LYS  39  -0.700   7.322   8.511
  302   1HZ   LYS  39           HZ1      LYS  39   1.845   6.073   8.041
  303   2HZ   LYS  39           HZ3      LYS  39   0.794   5.112   8.964
  304   3HZ   LYS  39           HZ2      LYS  39   0.308   5.673   7.434
  305    HA   PRO  40           HA       PRO  40  -3.311  10.076   7.276
  306   1HB   PRO  40           HB2      PRO  40  -3.637  12.594   5.712
  307   2HB   PRO  40           HB1      PRO  40  -3.635  12.352   7.470
  308   1HG   PRO  40           HG2      PRO  40  -1.560  13.516   6.236
  309   2HG   PRO  40           HG1      PRO  40  -1.310  12.418   7.604
  310   1HD   PRO  40           HD2      PRO  40  -0.922  11.904   4.684
  311   2HD   PRO  40           HD1      PRO  40   0.059  11.322   6.050
  312    H    PHE  41           HN       PHE  41  -3.324  10.867   3.769
  313    HA   PHE  41           HA       PHE  41  -6.167  10.431   3.505
  314   1HB   PHE  41           HB2      PHE  41  -3.876  10.313   1.523
  315   2HB   PHE  41           HB1      PHE  41  -5.558  10.094   1.070
  316    HD1  PHE  41           HD2      PHE  41  -3.181  12.490   2.640
  317    HD2  PHE  41           HD1      PHE  41  -7.006  11.923   0.769
  318    HE1  PHE  41           HE2      PHE  41  -3.487  14.953   2.520
  319    HE2  PHE  41           HE1      PHE  41  -7.313  14.383   0.650
  320    HZ   PHE  41           HZ       PHE  41  -5.553  15.897   1.522
  321    H    PHE  42           HN       PHE  42  -3.319   8.396   2.869
  322    HA   PHE  42           HA       PHE  42  -4.750   6.047   2.084
  323   1HB   PHE  42           HB2      PHE  42  -2.372   6.388   1.620
  324   2HB   PHE  42           HB1      PHE  42  -2.007   6.379   3.349
  325    HD1  PHE  42           HD1      PHE  42  -3.240   4.305   0.520
  326    HD2  PHE  42           HD2      PHE  42  -1.813   4.334   4.568
  327    HE1  PHE  42           HE1      PHE  42  -3.057   1.835   0.471
  328    HE2  PHE  42           HE2      PHE  42  -1.620   1.863   4.517
  329    HZ   PHE  42           HZ       PHE  42  -2.245   0.610   2.469
  330    H    HIS  43           HN       HIS  43  -3.356   6.977   5.221
  331    HA   HIS  43           HA       HIS  43  -4.325   4.698   6.658
  332   1HB   HIS  43           HB2      HIS  43  -2.465   6.148   7.422
  333   2HB   HIS  43           HB1      HIS  43  -3.599   7.479   7.647
  334    HD1  HIS  43           HD1      HIS  43  -2.370   4.362   9.217
  335    HD2  HIS  43           HD2      HIS  43  -5.467   7.075   9.804
  336    HE1  HIS  43           HE1      HIS  43  -3.384   3.809  11.472
  337    H    SER  44           HN       SER  44  -5.643   7.979   6.193
  338    HA   SER  44           HA       SER  44  -7.863   7.709   7.959
  339   1HB   SER  44           HB2      SER  44  -7.598   9.407   5.471
  340   2HB   SER  44           HB1      SER  44  -8.881   9.562   6.665
  341    HG   SER  44           HG       SER  44  -7.541  10.727   7.766
  342    H    LEU  45           HN       LEU  45  -7.480   6.875   4.535
  343    HA   LEU  45           HA       LEU  45 -10.218   6.348   4.001
  344   1HB   LEU  45           HB2      LEU  45  -7.688   5.259   2.791
  345   2HB   LEU  45           HB1      LEU  45  -9.268   4.795   2.192
  346    HG   LEU  45           HG       LEU  45  -8.542   7.719   2.490
  347   1HD1  LEU  45          HD11      LEU  45  -7.914   5.877   0.165
  348   2HD1  LEU  45          HD13      LEU  45  -7.931   7.636   0.040
  349   3HD1  LEU  45          HD12      LEU  45  -6.768   6.838   1.100
  350   1HD2  LEU  45          HD23      LEU  45 -10.523   6.136   0.828
  351   2HD2  LEU  45          HD22      LEU  45 -10.870   7.358   2.049
  352   3HD2  LEU  45          HD21      LEU  45 -10.158   7.828   0.511
  353    H    SER  46           HN       SER  46  -7.827   4.465   5.714
  354    HA   SER  46           HA       SER  46  -8.865   1.871   5.475
  355   1HB   SER  46           HB2      SER  46  -7.838   3.189   8.012
  356   2HB   SER  46           HB1      SER  46  -7.982   1.456   7.745
  357    HG   SER  46           HG       SER  46  -6.415   3.268   6.219
  358    H    GLU  47           HN       GLU  47  -9.989   4.554   7.488
  359    HA   GLU  47           HA       GLU  47 -12.162   2.921   8.615
  360   1HB   GLU  47           HB2      GLU  47 -11.441   5.867   8.840
  361   2HB   GLU  47           HB1      GLU  47 -12.824   5.134   9.653
  362   1HG   GLU  47           HG2      GLU  47 -11.047   5.105  11.254
  363   2HG   GLU  47           HG1      GLU  47 -11.176   3.451  10.655
  364    H    LYS  48           HN       LYS  48 -11.653   4.871   5.788
  365    HA   LYS  48           HA       LYS  48 -14.477   5.582   5.459
  366   1HB   LYS  48           HB2      LYS  48 -12.619   6.947   4.447
  367   2HB   LYS  48           HB1      LYS  48 -12.301   5.600   3.350
  368   1HG   LYS  48           HG2      LYS  48 -14.621   5.725   2.515
  369   2HG   LYS  48           HG1      LYS  48 -14.932   7.088   3.589
  370   1HD   LYS  48           HD2      LYS  48 -12.991   8.275   2.446
  371   2HD   LYS  48           HD1      LYS  48 -13.023   6.981   1.247
  372   1HE   LYS  48           HE2      LYS  48 -15.351   8.792   1.945
  373   2HE   LYS  48           HE1      LYS  48 -14.360   8.907   0.490
  374   1HZ   LYS  48           HZ3      LYS  48 -15.344   6.264   0.892
  375   2HZ   LYS  48           HZ2      LYS  48 -16.615   7.387   0.807
  376   3HZ   LYS  48           HZ1      LYS  48 -15.492   7.273  -0.463
  377    H    TYR  49           HN       TYR  49 -12.251   3.099   4.341
  378    HA   TYR  49           HA       TYR  49 -14.605   1.541   3.284
  379   1HB   TYR  49           HB2      TYR  49 -11.748   1.580   2.231
  380   2HB   TYR  49           HB1      TYR  49 -13.006   0.467   1.691
  381    HD1  TYR  49           HD2      TYR  49 -15.192   1.487   0.784
  382    HD2  TYR  49           HD1      TYR  49 -11.545   3.714   1.228
  383    HE1  TYR  49           HE2      TYR  49 -16.041   3.194  -0.801
  384    HE2  TYR  49           HE1      TYR  49 -12.395   5.416  -0.363
  385    HH   TYR  49           HH       TYR  49 -15.056   6.116  -1.048
  386    H    SER  50           HN       SER  50 -14.409   1.103   5.737
  387    HA   SER  50           HA       SER  50 -12.264  -0.430   6.795
  388   1HB   SER  50           HB2      SER  50 -13.737  -0.905   8.615
  389   2HB   SER  50           HB1      SER  50 -14.157   0.706   8.060
  390    HG   SER  50           HG       SER  50 -15.658  -1.538   8.114
  391    H    ASN  51           HN       ASN  51 -14.498  -1.214   4.397
  392    HA   ASN  51           HA       ASN  51 -14.489  -4.117   4.978
  393   1HB   ASN  51           HB2      ASN  51 -16.512  -2.910   4.023
  394   2HB   ASN  51           HB1      ASN  51 -15.588  -2.701   2.536
  395   1HD2  ASN  51          HD22      ASN  51 -16.258  -5.967   1.423
  396   2HD2  ASN  51          HD21      ASN  51 -15.720  -4.400   1.054
  397    H    VAL  52           HN       VAL  52 -12.241  -2.107   3.986
  398    HA   VAL  52           HA       VAL  52 -11.052  -4.020   2.026
  399    HB   VAL  52           HB       VAL  52 -11.021  -0.988   1.988
  400   1HG1  VAL  52          HG11      VAL  52  -9.161  -2.991   0.727
  401   2HG1  VAL  52          HG13      VAL  52  -9.534  -1.495  -0.131
  402   3HG1  VAL  52          HG12      VAL  52  -8.789  -1.438   1.462
  403   1HG2  VAL  52          HG22      VAL  52 -11.897  -3.133   0.030
  404   2HG2  VAL  52          HG21      VAL  52 -12.933  -1.983   0.875
  405   3HG2  VAL  52          HG23      VAL  52 -11.814  -1.417  -0.364
  406    H    ILE  53           HN       ILE  53  -8.817  -4.440   2.401
  407    HA   ILE  53           HA       ILE  53  -7.871  -3.556   5.105
  408    HB   ILE  53           HB       ILE  53  -6.690  -5.671   3.282
  409   1HG1  ILE  53          HG12      ILE  53  -9.000  -6.290   3.672
  410   2HG1  ILE  53          HG11      ILE  53  -7.992  -7.282   4.721
  411   1HG2  ILE  53          HG22      ILE  53  -5.487  -4.624   5.395
  412   2HG2  ILE  53          HG21      ILE  53  -6.584  -5.658   6.295
  413   3HG2  ILE  53          HG23      ILE  53  -5.456  -6.366   5.141
  414   1HD1  ILE  53          HD11      ILE  53  -8.407  -5.434   6.506
  415   2HD1  ILE  53          HD13      ILE  53  -9.736  -4.935   5.459
  416   3HD1  ILE  53          HD12      ILE  53  -9.719  -6.556   6.150
  417    H    PHE  54           HN       PHE  54  -6.361  -1.928   5.187
  418    HA   PHE  54           HA       PHE  54  -4.773  -1.298   2.718
  419   1HB   PHE  54           HB2      PHE  54  -5.370   0.331   5.207
  420   2HB   PHE  54           HB1      PHE  54  -4.315   0.866   3.908
  421    HD1  PHE  54           HD1      PHE  54  -7.788  -0.315   4.601
  422    HD2  PHE  54           HD2      PHE  54  -5.223   1.932   1.999
  423    HE1  PHE  54           HE1      PHE  54  -9.768   0.527   3.365
  424    HE2  PHE  54           HE2      PHE  54  -7.197   2.768   0.759
  425    HZ   PHE  54           HZ       PHE  54  -9.469   2.062   1.443
  426    H    LEU  55           HN       LEU  55  -2.630  -1.865   2.713
  427    HA   LEU  55           HA       LEU  55  -1.260  -2.368   5.340
  428   1HB   LEU  55           HB2      LEU  55  -0.698  -3.524   2.597
  429   2HB   LEU  55           HB1      LEU  55   0.402  -3.702   3.961
  430    HG   LEU  55           HG       LEU  55  -1.323  -4.894   5.224
  431   1HD1  LEU  55          HD13      LEU  55  -3.061  -4.076   2.922
  432   2HD1  LEU  55          HD12      LEU  55  -3.398  -5.605   3.736
  433   3HD1  LEU  55          HD11      LEU  55  -3.404  -4.108   4.649
  434   1HD2  LEU  55          HD22      LEU  55   0.169  -6.055   3.509
  435   2HD2  LEU  55          HD21      LEU  55  -1.282  -6.931   3.996
  436   3HD2  LEU  55          HD23      LEU  55  -1.239  -6.084   2.448
  437    H    GLU  56           HN       GLU  56   0.643  -1.334   5.765
  438    HA   GLU  56           HA       GLU  56   1.593   0.676   3.749
  439   1HB   GLU  56           HB2      GLU  56   0.752   1.598   5.947
  440   2HB   GLU  56           HB1      GLU  56   2.035   0.696   6.755
  441   1HG   GLU  56           HG2      GLU  56   3.708   1.879   5.308
  442   2HG   GLU  56           HG1      GLU  56   2.392   2.860   4.660
  443    H    VAL  57           HN       VAL  57   3.660   0.366   3.005
  444    HA   VAL  57           HA       VAL  57   5.354  -1.684   4.418
  445    HB   VAL  57           HB       VAL  57   5.039  -1.212   1.443
  446   1HG1  VAL  57          HG12      VAL  57   6.704  -3.161   3.053
  447   2HG1  VAL  57          HG11      VAL  57   6.434  -3.303   1.322
  448   3HG1  VAL  57          HG13      VAL  57   7.307  -1.914   1.962
  449   1HG2  VAL  57          HG23      VAL  57   3.129  -2.359   2.637
  450   2HG2  VAL  57          HG22      VAL  57   3.925  -3.355   1.419
  451   3HG2  VAL  57          HG21      VAL  57   4.269  -3.610   3.129
  452    H    ASP  58           HN       ASP  58   7.449  -1.122   4.785
  453    HA   ASP  58           HA       ASP  58   8.379   1.592   3.938
  454   1HB   ASP  58           HB2      ASP  58   8.468   0.774   6.362
  455   2HB   ASP  58           HB1      ASP  58   9.696  -0.380   5.824
  456    H    VAL  59           HN       VAL  59   9.644   1.617   2.109
  457    HA   VAL  59           HA       VAL  59  10.717  -0.810   0.964
  458    HB   VAL  59           HB       VAL  59  11.989   0.821  -0.517
  459   1HG1  VAL  59          HG13      VAL  59   8.996   1.030  -0.123
  460   2HG1  VAL  59          HG12      VAL  59   9.821   1.805  -1.472
  461   3HG1  VAL  59          HG11      VAL  59   9.868   0.054  -1.303
  462   1HG2  VAL  59          HG22      VAL  59  12.049   2.600   1.317
  463   2HG2  VAL  59          HG21      VAL  59  11.603   3.167  -0.294
  464   3HG2  VAL  59          HG23      VAL  59  10.358   2.919   0.929
  465    H    ASP  60           HN       ASP  60  11.792   1.385   3.397
  466    HA   ASP  60           HA       ASP  60  14.622   0.534   3.110
  467   1HB   ASP  60           HB2      ASP  60  13.165   2.601   4.735
  468   2HB   ASP  60           HB1      ASP  60  14.798   2.129   5.162
  469    H    ASP  61           HN       ASP  61  11.987   0.221   5.554
  470    HA   ASP  61           HA       ASP  61  13.761  -1.596   7.127
  471   1HB   ASP  61           HB2      ASP  61  10.953  -0.583   7.705
  472   2HB   ASP  61           HB1      ASP  61  11.903  -1.607   8.775
  473    H    ALA  62           HN       ALA  62  11.345  -1.663   4.742
  474    HA   ALA  62           HA       ALA  62  10.979  -4.612   5.114
  475   1HB   ALA  62           HB1      ALA  62   8.934  -2.920   5.437
  476   2HB   ALA  62           HB3      ALA  62   8.901  -2.989   3.677
  477   3HB   ALA  62           HB2      ALA  62   8.712  -4.465   4.617
  478    H    GLN  63           HN       GLN  63  13.061  -3.329   3.723
  479    HA   GLN  63           HA       GLN  63  12.621  -2.954   0.948
  480   1HB   GLN  63           HB2      GLN  63  15.022  -3.186   0.720
  481   2HB   GLN  63           HB1      GLN  63  14.708  -2.366   2.249
  482   1HG   GLN  63           HG2      GLN  63  14.811  -4.643   3.365
  483   2HG   GLN  63           HG1      GLN  63  15.419  -5.277   1.836
  484   1HE2  GLN  63          HE22      GLN  63  18.630  -3.782   2.176
  485   2HE2  GLN  63          HE21      GLN  63  17.545  -4.510   1.093
  486    H    ASP  64           HN       ASP  64  12.667  -5.844   2.850
  487    HA   ASP  64           HA       ASP  64  13.412  -7.722   0.827
  488   1HB   ASP  64           HB2      ASP  64  12.107  -9.356   2.268
  489   2HB   ASP  64           HB1      ASP  64  13.353  -8.450   3.120
  490    H    VAL  65           HN       VAL  65  10.298  -6.269   1.735
  491    HA   VAL  65           HA       VAL  65   8.756  -7.854  -0.140
  492    HB   VAL  65           HB       VAL  65   8.046  -5.125   0.988
  493   1HG1  VAL  65          HG13      VAL  65   6.637  -5.983  -0.858
  494   2HG1  VAL  65          HG12      VAL  65   6.331  -7.451   0.070
  495   3HG1  VAL  65          HG11      VAL  65   5.744  -5.896   0.660
  496   1HG2  VAL  65          HG22      VAL  65   8.069  -7.839   2.270
  497   2HG2  VAL  65          HG21      VAL  65   8.392  -6.265   2.985
  498   3HG2  VAL  65          HG23      VAL  65   6.733  -6.759   2.655
  499    H    ALA  66           HN       ALA  66  10.149  -4.588  -0.143
  500    HA   ALA  66           HA       ALA  66   9.144  -3.856  -2.726
  501   1HB   ALA  66           HB3      ALA  66  10.117  -2.375  -0.808
  502   2HB   ALA  66           HB2      ALA  66  11.671  -2.693  -1.579
  503   3HB   ALA  66           HB1      ALA  66  10.384  -1.895  -2.484
  504    H    SER  67           HN       SER  67  12.244  -5.303  -1.701
  505    HA   SER  67           HA       SER  67  13.541  -5.110  -4.235
  506   1HB   SER  67           HB2      SER  67  14.969  -6.950  -3.443
  507   2HB   SER  67           HB1      SER  67  14.703  -5.791  -2.143
  508    HG   SER  67           HG       SER  67  13.663  -8.372  -2.510
  509    H    GLU  68           HN       GLU  68  11.282  -7.475  -2.905
  510    HA   GLU  68           HA       GLU  68  11.426  -9.338  -5.088
  511   1HB   GLU  68           HB2      GLU  68  10.443  -9.908  -2.884
  512   2HB   GLU  68           HB1      GLU  68   9.131  -8.769  -3.179
  513   1HG   GLU  68           HG2      GLU  68   8.485 -10.073  -5.199
  514   2HG   GLU  68           HG1      GLU  68   9.756 -11.237  -4.830
  515    H    ALA  69           HN       ALA  69   9.514  -6.424  -4.481
  516    HA   ALA  69           HA       ALA  69   7.949  -6.804  -6.944
  517   1HB   ALA  69           HB3      ALA  69   6.896  -5.847  -4.926
  518   2HB   ALA  69           HB2      ALA  69   8.013  -4.486  -5.000
  519   3HB   ALA  69           HB1      ALA  69   6.832  -4.725  -6.286
  520    H    GLU  70           HN       GLU  70  11.035  -5.644  -6.361
  521    HA   GLU  70           HA       GLU  70  12.452  -4.217  -7.589
  522   1HB   GLU  70           HB2      GLU  70  10.446  -5.003  -9.719
  523   2HB   GLU  70           HB1      GLU  70  11.906  -4.078 -10.055
  524   1HG   GLU  70           HG2      GLU  70  12.445  -6.361 -10.478
  525   2HG   GLU  70           HG1      GLU  70  13.208  -5.951  -8.943
  526    H    VAL  71           HN       VAL  71  10.775  -2.740  -6.009
  527    HA   VAL  71           HA       VAL  71   9.130  -0.891  -7.454
  528    HB   VAL  71           HB       VAL  71  10.616  -0.405  -4.844
  529   1HG1  VAL  71          HG12      VAL  71   8.185   0.850  -6.160
  530   2HG1  VAL  71          HG11      VAL  71   8.619   1.116  -4.473
  531   3HG1  VAL  71          HG13      VAL  71   9.708   1.641  -5.762
  532   1HG2  VAL  71          HG21      VAL  71   7.971  -1.759  -5.488
  533   2HG2  VAL  71          HG23      VAL  71   9.315  -2.404  -4.549
  534   3HG2  VAL  71          HG22      VAL  71   8.323  -1.104  -3.889
  535    H    LYS  72           HN       LYS  72   9.694   0.859  -8.642
  536    HA   LYS  72           HA       LYS  72  12.580   1.550  -8.817
  537   1HB   LYS  72           HB2      LYS  72  10.298   2.113 -10.726
  538   2HB   LYS  72           HB1      LYS  72  11.983   2.544 -11.005
  539   1HG   LYS  72           HG2      LYS  72  11.170  -0.322 -10.446
  540   2HG   LYS  72           HG1      LYS  72  11.120   0.343 -12.077
  541   1HD   LYS  72           HD2      LYS  72  13.547   1.019 -11.780
  542   2HD   LYS  72           HD1      LYS  72  13.549   0.095 -10.280
  543   1HE   LYS  72           HE2      LYS  72  12.878  -1.928 -11.532
  544   2HE   LYS  72           HE1      LYS  72  12.925  -1.000 -13.033
  545   1HZ   LYS  72           HZ2      LYS  72  15.321  -0.483 -11.826
  546   2HZ   LYS  72           HZ1      LYS  72  15.077  -2.139 -11.540
  547   3HZ   LYS  72           HZ3      LYS  72  15.065  -1.543 -13.129
  548    H    ALA  73           HN       ALA  73   9.623   2.721  -7.586
  549    HA   ALA  73           HA       ALA  73  10.916   5.188  -6.763
  550   1HB   ALA  73           HB3      ALA  73   9.125   5.140  -9.118
  551   2HB   ALA  73           HB2      ALA  73   8.782   6.416  -7.952
  552   3HB   ALA  73           HB1      ALA  73  10.380   6.304  -8.690
  553    H    THR  74           HN       THR  74   9.625   6.399  -5.232
  554    HA   THR  74           HA       THR  74   7.163   5.008  -4.234
  555    HB   THR  74           HB       THR  74   7.920   5.330  -1.941
  556    HG1  THR  74           HG1      THR  74  10.020   6.754  -3.162
  557   1HG2  THR  74          HG22      THR  74  10.144   4.266  -3.672
  558   2HG2  THR  74          HG21      THR  74  10.070   4.081  -1.923
  559   3HG2  THR  74          HG23      THR  74   8.838   3.339  -2.941
  560    HA   PRO  75           HA       PRO  75   5.775   5.578  -2.413
  561   1HB   PRO  75           HB2      PRO  75   3.200   6.597  -2.411
  562   2HB   PRO  75           HB1      PRO  75   4.429   6.966  -1.194
  563   1HG   PRO  75           HG2      PRO  75   3.401   8.673  -3.394
  564   2HG   PRO  75           HG1      PRO  75   4.152   9.136  -1.862
  565   1HD   PRO  75           HD2      PRO  75   5.403   9.142  -4.413
  566   2HD   PRO  75           HD1      PRO  75   6.219   9.344  -2.839
  567    H    THR  76           HN       THR  76   4.738   3.745  -3.193
  568    HA   THR  76           HA       THR  76   3.380   3.922  -5.861
  569    HB   THR  76           HB       THR  76   5.229   1.689  -4.960
  570    HG1  THR  76           HG1      THR  76   6.354   2.578  -6.912
  571   1HG2  THR  76          HG21      THR  76   3.585   2.178  -7.442
  572   2HG2  THR  76          HG23      THR  76   4.943   1.057  -7.420
  573   3HG2  THR  76          HG22      THR  76   3.547   0.772  -6.381
  574    H    PHE  77           HN       PHE  77   1.473   2.864  -5.939
  575    HA   PHE  77           HA       PHE  77   0.601   1.404  -3.472
  576   1HB   PHE  77           HB2      PHE  77  -1.026   2.716  -5.670
  577   2HB   PHE  77           HB1      PHE  77  -1.678   1.965  -4.210
  578    HD1  PHE  77           HD2      PHE  77   0.214   4.806  -5.569
  579    HD2  PHE  77           HD1      PHE  77  -1.414   3.018  -2.018
  580    HE1  PHE  77           HE2      PHE  77   0.588   6.928  -4.332
  581    HE2  PHE  77           HE1      PHE  77  -1.041   5.136  -0.779
  582    HZ   PHE  77           HZ       PHE  77  -0.041   7.095  -1.934
  583    H    GLN  78           HN       GLN  78   0.193  -0.767  -3.665
  584    HA   GLN  78           HA       GLN  78  -0.197  -1.894  -6.424
  585   1HB   GLN  78           HB2      GLN  78   1.317  -3.047  -4.072
  586   2HB   GLN  78           HB1      GLN  78   0.849  -3.993  -5.479
  587   1HG   GLN  78           HG2      GLN  78   2.096  -2.398  -6.919
  588   2HG   GLN  78           HG1      GLN  78   2.635  -1.541  -5.473
  589   1HE2  GLN  78          HE22      GLN  78   5.435  -3.740  -5.662
  590   2HE2  GLN  78          HE21      GLN  78   4.900  -2.157  -5.951
  591    H    PHE  79           HN       PHE  79  -1.948  -3.158  -6.652
  592    HA   PHE  79           HA       PHE  79  -3.683  -3.531  -4.244
  593   1HB   PHE  79           HB2      PHE  79  -4.298  -3.537  -7.210
  594   2HB   PHE  79           HB1      PHE  79  -5.484  -3.850  -5.937
  595    HD1  PHE  79           HD2      PHE  79  -3.065  -1.346  -7.238
  596    HD2  PHE  79           HD1      PHE  79  -6.409  -2.074  -4.651
  597    HE1  PHE  79           HE2      PHE  79  -3.289   1.091  -6.848
  598    HE2  PHE  79           HE1      PHE  79  -6.628   0.364  -4.247
  599    HZ   PHE  79           HZ       PHE  79  -5.070   1.944  -5.352
  600    H    PHE  80           HN       PHE  80  -4.201  -5.502  -3.545
  601    HA   PHE  80           HA       PHE  80  -3.443  -7.869  -5.203
  602   1HB   PHE  80           HB2      PHE  80  -3.092  -7.429  -2.238
  603   2HB   PHE  80           HB1      PHE  80  -2.973  -9.016  -2.996
  604    HD1  PHE  80           HD2      PHE  80  -1.419  -5.674  -2.674
  605    HD2  PHE  80           HD1      PHE  80  -1.130  -9.567  -4.486
  606    HE1  PHE  80           HE2      PHE  80   0.938  -5.228  -3.279
  607    HE2  PHE  80           HE1      PHE  80   1.225  -9.110  -5.090
  608    HZ   PHE  80           HZ       PHE  80   2.261  -6.941  -4.485
  609    H    LYS  81           HN       LYS  81  -4.823  -9.646  -5.064
  610    HA   LYS  81           HA       LYS  81  -7.266  -9.386  -3.403
  611   1HB   LYS  81           HB2      LYS  81  -7.624  -8.310  -5.730
  612   2HB   LYS  81           HB1      LYS  81  -7.446  -9.934  -6.382
  613   1HG   LYS  81           HG2      LYS  81  -9.781  -9.705  -6.106
  614   2HG   LYS  81           HG1      LYS  81  -9.276 -10.613  -4.690
  615   1HD   LYS  81           HD2      LYS  81  -9.412  -8.700  -3.276
  616   2HD   LYS  81           HD1      LYS  81  -9.524  -7.600  -4.647
  617   1HE   LYS  81           HE2      LYS  81 -11.591  -9.731  -4.098
  618   2HE   LYS  81           HE1      LYS  81 -11.705  -8.103  -3.428
  619   1HZ   LYS  81           HZ3      LYS  81 -11.471  -7.281  -5.760
  620   2HZ   LYS  81           HZ2      LYS  81 -11.658  -8.887  -6.286
  621   3HZ   LYS  81           HZ1      LYS  81 -12.913  -8.113  -5.441
  622    H    LYS  82           HN       LYS  82  -7.511 -11.354  -2.479
  623    HA   LYS  82           HA       LYS  82  -7.282 -13.662  -2.112
  624   1HB   LYS  82           HB2      LYS  82  -7.336 -13.756  -5.157
  625   2HB   LYS  82           HB1      LYS  82  -7.483 -15.148  -4.094
  626   1HG   LYS  82           HG2      LYS  82  -9.470 -13.851  -3.030
  627   2HG   LYS  82           HG1      LYS  82  -9.422 -12.880  -4.497
  628   1HD   LYS  82           HD2      LYS  82  -9.490 -15.087  -5.790
  629   2HD   LYS  82           HD1      LYS  82  -9.921 -15.845  -4.257
  630   1HE   LYS  82           HE2      LYS  82 -11.863 -14.336  -4.052
  631   2HE   LYS  82           HE1      LYS  82 -11.433 -13.575  -5.583
  632   1HZ   LYS  82           HZ3      LYS  82 -11.470 -16.213  -6.190
  633   2HZ   LYS  82           HZ2      LYS  82 -12.756 -16.075  -5.089
  634   3HZ   LYS  82           HZ1      LYS  82 -12.730 -15.120  -6.494
  635    H    GLY  83           HN       GLY  83  -4.923 -11.852  -2.500
  636   1HA   GLY  83           HA2      GLY  83  -2.611 -12.235  -2.250
  637   2HA   GLY  83           HA1      GLY  83  -2.883 -13.941  -2.590
  638    H    GLN  84           HN       GLN  84  -4.337 -11.926  -4.911
  639    HA   GLN  84           HA       GLN  84  -2.052 -12.397  -6.793
  640   1HB   GLN  84           HB2      GLN  84  -4.985 -12.027  -7.465
  641   2HB   GLN  84           HB1      GLN  84  -3.694 -12.414  -8.597
  642   1HG   GLN  84           HG2      GLN  84  -4.540 -14.172  -6.277
  643   2HG   GLN  84           HG1      GLN  84  -5.013 -14.420  -7.956
  644   1HE2  GLN  84          HE22      GLN  84  -1.138 -15.186  -6.842
  645   2HE2  GLN  84          HE21      GLN  84  -2.100 -14.162  -5.887
  646    H    LYS  85           HN       LYS  85  -1.156 -10.656  -7.809
  647    HA   LYS  85           HA       LYS  85  -2.054  -7.976  -7.014
  648   1HB   LYS  85           HB2      LYS  85   0.353  -8.568  -7.314
  649   2HB   LYS  85           HB1      LYS  85   0.054  -8.788  -9.038
  650   1HG   LYS  85           HG2      LYS  85  -0.776  -6.430  -9.147
  651   2HG   LYS  85           HG1      LYS  85  -0.322  -6.227  -7.458
  652   1HD   LYS  85           HD2      LYS  85   1.602  -7.064  -9.638
  653   2HD   LYS  85           HD1      LYS  85   1.410  -5.404  -9.081
  654   1HE   LYS  85           HE2      LYS  85   1.877  -6.370  -6.716
  655   2HE   LYS  85           HE1      LYS  85   2.499  -7.778  -7.576
  656   1HZ   LYS  85           HZ1      LYS  85   3.407  -5.148  -8.454
  657   2HZ   LYS  85           HZ3      LYS  85   4.016  -5.733  -6.983
  658   3HZ   LYS  85           HZ2      LYS  85   4.240  -6.628  -8.409
  659    H    VAL  86           HN       VAL  86  -3.584  -6.877  -8.104
  660    HA   VAL  86           HA       VAL  86  -4.084  -7.564 -10.977
  661    HB   VAL  86           HB       VAL  86  -6.484  -7.049 -10.523
  662   1HG1  VAL  86          HG12      VAL  86  -5.423  -9.388 -10.396
  663   2HG1  VAL  86          HG11      VAL  86  -5.477  -9.200  -8.643
  664   3HG1  VAL  86          HG13      VAL  86  -6.972  -9.186  -9.579
  665   1HG2  VAL  86          HG22      VAL  86  -6.061  -5.638  -8.501
  666   2HG2  VAL  86          HG21      VAL  86  -7.247  -6.908  -8.205
  667   3HG2  VAL  86          HG23      VAL  86  -5.593  -7.093  -7.619
  668    H    GLY  87           HN       GLY  87  -2.679  -5.232  -9.271
  669   1HA   GLY  87           HA2      GLY  87  -3.125  -3.223 -11.258
  670   2HA   GLY  87           HA1      GLY  87  -4.149  -2.863  -9.872
  671    H    GLU  88           HN       GLU  88  -1.905  -1.316 -10.902
  672    HA   GLU  88           HA       GLU  88  -0.589  -0.731  -8.406
  673   1HB   GLU  88           HB2      GLU  88   0.842  -2.592  -8.895
  674   2HB   GLU  88           HB1      GLU  88   1.022  -2.093 -10.574
  675   1HG   GLU  88           HG2      GLU  88   2.278  -0.108  -9.890
  676   2HG   GLU  88           HG1      GLU  88   1.993  -0.475  -8.190
  677    H    PHE  89           HN       PHE  89   0.501   1.275  -8.476
  678    HA   PHE  89           HA       PHE  89   1.092   2.573 -10.994
  679   1HB   PHE  89           HB2      PHE  89  -0.514   4.337 -10.992
  680   2HB   PHE  89           HB1      PHE  89  -1.411   2.831 -10.874
  681    HD1  PHE  89           HD1      PHE  89  -0.059   5.668  -8.885
  682    HD2  PHE  89           HD2      PHE  89  -2.868   2.424  -9.028
  683    HE1  PHE  89           HE1      PHE  89  -1.200   6.576  -6.877
  684    HE2  PHE  89           HE2      PHE  89  -4.005   3.323  -7.011
  685    HZ   PHE  89           HZ       PHE  89  -3.183   5.415  -5.951
  686    H    SER  90           HN       SER  90   1.967   4.795 -10.622
  687    HA   SER  90           HA       SER  90   2.976   5.147  -7.816
  688   1HB   SER  90           HB2      SER  90   5.082   5.969  -8.782
  689   2HB   SER  90           HB1      SER  90   4.769   4.301  -9.277
  690    HG   SER  90           HG       SER  90   4.131   6.637 -10.775
  691    H    GLY  91           HN       GLY  91   3.595   7.347  -7.286
  692   1HA   GLY  91           HA2      GLY  91   3.598   9.738  -8.021
  693   2HA   GLY  91           HA1      GLY  91   2.089   9.414  -8.867
  694    H    ALA  92           HN       ALA  92   2.871  11.219  -6.508
  695    HA   ALA  92           HA       ALA  92   1.379  10.155  -4.250
  696   1HB   ALA  92           HB1      ALA  92   2.581  12.837  -4.934
  697   2HB   ALA  92           HB3      ALA  92   1.652  12.590  -3.454
  698   3HB   ALA  92           HB2      ALA  92   3.131  11.666  -3.737
  699    H    ASN  93           HN       ASN  93  -0.589   9.773  -5.865
  700    HA   ASN  93           HA       ASN  93  -2.368  12.201  -5.782
  701   1HB   ASN  93           HB2      ASN  93  -1.786  11.297  -8.096
  702   2HB   ASN  93           HB1      ASN  93  -2.652   9.828  -7.648
  703   1HD2  ASN  93          HD22      ASN  93  -5.382  12.720  -7.206
  704   2HD2  ASN  93          HD21      ASN  93  -4.157  12.410  -6.074
  705    H    LYS  94           HN       LYS  94  -3.238  11.797  -3.762
  706    HA   LYS  94           HA       LYS  94  -3.947   9.197  -2.773
  707   1HB   LYS  94           HB2      LYS  94  -5.204  10.542  -1.068
  708   2HB   LYS  94           HB1      LYS  94  -3.493  10.914  -1.209
  709   1HG   LYS  94           HG2      LYS  94  -5.116  12.567  -3.030
  710   2HG   LYS  94           HG1      LYS  94  -5.632  12.759  -1.360
  711   1HD   LYS  94           HD2      LYS  94  -3.260  13.200  -0.714
  712   2HD   LYS  94           HD1      LYS  94  -2.813  13.120  -2.421
  713   1HE   LYS  94           HE2      LYS  94  -4.397  14.962  -2.902
  714   2HE   LYS  94           HE1      LYS  94  -4.791  15.055  -1.185
  715   1HZ   LYS  94           HZ1      LYS  94  -1.965  15.158  -1.831
  716   2HZ   LYS  94           HZ3      LYS  94  -2.870  16.496  -2.348
  717   3HZ   LYS  94           HZ2      LYS  94  -2.858  16.066  -0.705
  718    H    GLU  95           HN       GLU  95  -5.908  11.705  -4.393
  719    HA   GLU  95           HA       GLU  95  -8.443  10.492  -3.896
  720   1HB   GLU  95           HB2      GLU  95  -7.549  12.197  -6.242
  721   2HB   GLU  95           HB1      GLU  95  -9.223  11.856  -5.808
  722   1HG   GLU  95           HG2      GLU  95  -7.244  13.183  -3.935
  723   2HG   GLU  95           HG1      GLU  95  -8.377  14.072  -4.953
  724    H    LYS  96           HN       LYS  96  -5.933   9.841  -6.212
  725    HA   LYS  96           HA       LYS  96  -7.441   8.322  -8.092
  726   1HB   LYS  96           HB2      LYS  96  -5.032   9.252  -8.176
  727   2HB   LYS  96           HB1      LYS  96  -4.566   7.766  -7.378
  728   1HG   LYS  96           HG2      LYS  96  -5.208   6.415  -9.191
  729   2HG   LYS  96           HG1      LYS  96  -6.241   7.662  -9.889
  730   1HD   LYS  96           HD2      LYS  96  -4.347   7.702 -11.281
  731   2HD   LYS  96           HD1      LYS  96  -4.039   9.032 -10.169
  732   1HE   LYS  96           HE2      LYS  96  -2.026   7.703 -10.384
  733   2HE   LYS  96           HE1      LYS  96  -2.692   7.476  -8.768
  734   1HZ   LYS  96           HZ3      LYS  96  -3.737   5.646 -10.726
  735   2HZ   LYS  96           HZ2      LYS  96  -2.063   5.488 -10.484
  736   3HZ   LYS  96           HZ1      LYS  96  -3.132   5.337  -9.173
  737    H    LEU  97           HN       LEU  97  -5.946   7.465  -5.012
  738    HA   LEU  97           HA       LEU  97  -6.085   4.630  -5.175
  739   1HB   LEU  97           HB2      LEU  97  -6.462   6.554  -2.861
  740   2HB   LEU  97           HB1      LEU  97  -6.439   4.811  -2.635
  741    HG   LEU  97           HG       LEU  97  -4.182   6.220  -4.048
  742   1HD1  LEU  97          HD11      LEU  97  -4.588   7.225  -1.747
  743   2HD1  LEU  97          HD13      LEU  97  -4.278   5.626  -1.080
  744   3HD1  LEU  97          HD12      LEU  97  -3.009   6.476  -1.956
  745   1HD2  LEU  97          HD22      LEU  97  -4.766   3.515  -3.652
  746   2HD2  LEU  97          HD21      LEU  97  -3.175   4.166  -4.003
  747   3HD2  LEU  97          HD23      LEU  97  -3.649   3.858  -2.339
  748    H    GLU  98           HN       GLU  98  -8.418   7.096  -4.331
  749    HA   GLU  98           HA       GLU  98 -10.525   5.405  -3.428
  750   1HB   GLU  98           HB2      GLU  98 -10.454   7.888  -3.173
  751   2HB   GLU  98           HB1      GLU  98 -10.780   8.045  -4.897
  752   1HG   GLU  98           HG2      GLU  98 -12.601   6.445  -3.098
  753   2HG   GLU  98           HG1      GLU  98 -12.795   8.187  -3.286
  754    H    ALA  99           HN       ALA  99  -9.739   6.569  -6.701
  755    HA   ALA  99           HA       ALA  99 -12.049   5.377  -7.927
  756   1HB   ALA  99           HB1      ALA  99 -10.575   7.192  -8.923
  757   2HB   ALA  99           HB3      ALA  99  -9.397   5.928  -9.280
  758   3HB   ALA  99           HB2      ALA  99 -10.995   5.879 -10.025
  759    H    THR 100           HN       THR 100  -8.691   4.206  -7.565
  760    HA   THR 100           HA       THR 100  -9.151   1.792  -9.052
  761    HB   THR 100           HB       THR 100  -7.132   2.165  -6.823
  762    HG1  THR 100           HG1      THR 100  -6.475   2.572  -9.490
  763   1HG2  THR 100          HG22      THR 100  -7.288   0.403  -9.282
  764   2HG2  THR 100          HG21      THR 100  -5.833   0.591  -8.305
  765   3HG2  THR 100          HG23      THR 100  -7.285  -0.119  -7.598
  766    H    ILE 101           HN       ILE 101  -9.442   2.579  -5.605
  767    HA   ILE 101           HA       ILE 101 -10.017  -0.075  -4.657
  768    HB   ILE 101           HB       ILE 101 -10.900   2.663  -3.665
  769   1HG1  ILE 101          HG12      ILE 101  -8.932   0.753  -2.385
  770   2HG1  ILE 101          HG11      ILE 101  -8.419   1.898  -3.623
  771   1HG2  ILE 101          HG22      ILE 101 -11.333  -0.098  -2.505
  772   2HG2  ILE 101          HG21      ILE 101 -11.366   1.356  -1.508
  773   3HG2  ILE 101          HG23      ILE 101 -12.536   1.154  -2.813
  774   1HD1  ILE 101          HD11      ILE 101  -9.353   3.756  -2.255
  775   2HD1  ILE 101          HD13      ILE 101  -9.781   2.593  -1.002
  776   3HD1  ILE 101          HD12      ILE 101  -8.087   2.877  -1.401
  777    H    ASN 102           HN       ASN 102 -12.134   2.589  -5.700
  778    HA   ASN 102           HA       ASN 102 -14.606   1.190  -5.507
  779   1HB   ASN 102           HB2      ASN 102 -14.420   3.649  -5.829
  780   2HB   ASN 102           HB1      ASN 102 -13.810   3.375  -7.463
  781   1HD2  ASN 102          HD22      ASN 102 -17.777   3.308  -6.804
  782   2HD2  ASN 102          HD21      ASN 102 -16.660   3.780  -5.616
  783    H    GLU 103           HN       GLU 103 -12.158   1.351  -8.021
  784    HA   GLU 103           HA       GLU 103 -13.675   0.072 -10.086
  785   1HB   GLU 103           HB2      GLU 103 -11.498   1.390 -10.311
  786   2HB   GLU 103           HB1      GLU 103 -10.677  -0.045  -9.706
  787   1HG   GLU 103           HG2      GLU 103 -10.590  -0.218 -12.091
  788   2HG   GLU 103           HG1      GLU 103 -11.829  -1.358 -11.566
  789    H    LEU 104           HN       LEU 104 -11.483  -1.193  -7.568
  790    HA   LEU 104           HA       LEU 104 -12.037  -3.978  -8.477
  791   1HB   LEU 104           HB2      LEU 104 -10.065  -2.894  -6.455
  792   2HB   LEU 104           HB1      LEU 104 -10.222  -4.591  -6.891
  793    HG   LEU 104           HG       LEU 104  -9.528  -2.353  -8.819
  794   1HD1  LEU 104          HD11      LEU 104  -7.820  -4.465  -7.470
  795   2HD1  LEU 104          HD13      LEU 104  -7.272  -3.455  -8.809
  796   3HD1  LEU 104          HD12      LEU 104  -7.700  -2.716  -7.265
  797   1HD2  LEU 104          HD21      LEU 104  -9.943  -5.330  -9.105
  798   2HD2  LEU 104          HD23      LEU 104 -10.486  -4.028 -10.165
  799   3HD2  LEU 104          HD22      LEU 104  -8.793  -4.510 -10.161
  800    H    VAL 105           HN       VAL 105 -13.493  -1.873  -6.343
  801    HA   VAL 105           HA       VAL 105 -13.732  -3.543  -4.006
  802    HB   VAL 105           HB       VAL 105 -14.285  -1.059  -4.143
  803   1HG1  VAL 105          HG13      VAL 105 -15.800  -1.517  -6.224
  804   2HG1  VAL 105          HG12      VAL 105 -17.024  -1.949  -5.036
  805   3HG1  VAL 105          HG11      VAL 105 -16.330  -0.327  -5.039
  806   1HG2  VAL 105          HG23      VAL 105 -16.272  -3.008  -2.943
  807   2HG2  VAL 105          HG22      VAL 105 -14.840  -2.337  -2.160
  808   3HG2  VAL 105          HG21      VAL 105 -16.209  -1.291  -2.537
  809    HA   PRO  59           HA       PRO 106  13.781  14.159 -14.267
  810   1HB   PRO  59           HB2      PRO 106  15.903  12.786 -13.274
  811   2HB   PRO  59           HB1      PRO 106  15.936  13.529 -14.887
  812   1HG   PRO  59           HG2      PRO 106  17.081  14.550 -12.319
  813   2HG   PRO  59           HG1      PRO 106  17.806  14.518 -13.939
  814   1HD   PRO  59           HD2      PRO 106  16.631  16.766 -12.887
  815   2HD   PRO  59           HD1      PRO 106  16.671  16.427 -14.632
  816    H    ALA  60           HN       ALA 107  14.623  15.839 -11.392
  817    HA   ALA  60           HA       ALA 107  13.675  13.641  -9.619
  818   1HB   ALA  60           HB3      ALA 107  15.718  14.903  -8.992
  819   2HB   ALA  60           HB2      ALA 107  14.767  16.387  -8.939
  820   3HB   ALA  60           HB1      ALA 107  14.439  15.088  -7.792
  821    H    THR  61           HN       THR 108  11.561  13.575  -9.077
  822    HA   THR  61           HA       THR 108   9.916  16.076  -9.307
  823    HB   THR  61           HB       THR 108   8.969  13.195  -9.230
  824    HG1  THR  61           HG1      THR 108   8.972  13.273 -11.419
  825   1HG2  THR  61          HG23      THR 108   7.359  15.044  -8.633
  826   2HG2  THR  61          HG22      THR 108   7.605  15.696 -10.250
  827   3HG2  THR  61          HG21      THR 108   6.889  14.097 -10.042
  828    H    LEU  62           HN       LEU 109   9.083  16.914  -7.435
  829    HA   LEU  62           HA       LEU 109   9.772  15.848  -4.868
  830   1HB   LEU  62           HB2      LEU 109   7.711  17.903  -5.704
  831   2HB   LEU  62           HB1      LEU 109   8.050  17.522  -4.021
  832    HG   LEU  62           HG       LEU 109  10.212  18.368  -5.969
  833   1HD1  LEU  62          HD11      LEU 109   8.515  20.147  -5.830
  834   2HD1  LEU  62          HD13      LEU 109   8.601  20.101  -4.069
  835   3HD1  LEU  62          HD12      LEU 109   9.997  20.635  -5.008
  836   1HD2  LEU  62          HD23      LEU 109  10.019  18.010  -2.972
  837   2HD2  LEU  62          HD22      LEU 109  11.256  17.422  -4.079
  838   3HD2  LEU  62          HD21      LEU 109  11.198  19.127  -3.655
  839    H    LYS  63           HN       LYS 110   6.997  15.394  -6.945
  840    HA   LYS  63           HA       LYS 110   5.225  14.269  -4.983
  841   1HB   LYS  63           HB2      LYS 110   5.365  13.758  -7.971
  842   2HB   LYS  63           HB1      LYS 110   3.998  13.373  -6.931
  843   1HG   LYS  63           HG2      LYS 110   5.097  16.164  -7.381
  844   2HG   LYS  63           HG1      LYS 110   3.674  15.500  -8.182
  845   1HD   LYS  63           HD2      LYS 110   2.825  15.050  -5.743
  846   2HD   LYS  63           HD1      LYS 110   4.043  16.239  -5.283
  847   1HE   LYS  63           HE2      LYS 110   1.937  17.397  -5.637
  848   2HE   LYS  63           HE1      LYS 110   3.046  17.832  -6.938
  849   1HZ   LYS  63           HZ3      LYS 110   1.181  15.567  -7.238
  850   2HZ   LYS  63           HZ2      LYS 110   0.665  17.157  -7.537
  851   3HZ   LYS  63           HZ1      LYS 110   1.938  16.488  -8.443
  852    H    ILE  64           HN       ILE 111   8.055  13.062  -6.497
  853    HA   ILE  64           HA       ILE 111   7.467  10.279  -5.509
  854    HB   ILE  64           HB       ILE 111   8.849  11.158  -8.068
  855   1HG1  ILE  64          HG12      ILE 111   6.423  11.020  -8.265
  856   2HG1  ILE  64          HG11      ILE 111   7.164   9.692  -9.146
  857   1HG2  ILE  64          HG22      ILE 111   8.827   8.469  -6.697
  858   2HG2  ILE  64          HG21      ILE 111   9.119   8.643  -8.428
  859   3HG2  ILE  64          HG23      ILE 111  10.215   9.394  -7.271
  860   1HD1  ILE  64          HD13      ILE 111   6.806   8.453  -6.775
  861   2HD1  ILE  64          HD12      ILE 111   5.505   9.635  -6.673
  862   3HD1  ILE  64          HD11      ILE 111   5.557   8.496  -8.016
  863    H    CYS  65           HN       CYS 112   9.202   9.308  -4.357
  864    HA   CYS  65           HA       CYS 112  11.560  11.039  -3.833
  865   1HB   CYS  65           HB2      CYS 112  10.858   8.387  -2.532
  866   2HB   CYS  65           HB1      CYS 112  12.084   9.523  -1.995
  867    H    SER  66           HN       SER 113  13.483  10.595  -4.849
  868    HA   SER  66           HA       SER 113  13.589   8.401  -6.775
  869   1HB   SER  66           HB2      SER 113  15.656  10.460  -5.954
  870   2HB   SER  66           HB1      SER 113  15.829   9.350  -7.311
  871    HG   SER  66           HG       SER 113  14.833  10.907  -8.339
  872    H    TRP  67           HN       TRP 114  14.720   6.483  -6.595
  873    HA   TRP  67           HA       TRP 114  15.638   5.636  -3.968
  874   1HB   TRP  67           HB2      TRP 114  15.747   4.317  -6.695
  875   2HB   TRP  67           HB1      TRP 114  16.340   3.545  -5.221
  876    HD1  TRP  67           HD1      TRP 114  13.127   5.491  -6.147
  877    HE1  TRP  67           HE1      TRP 114  11.120   4.220  -5.168
  878    HE3  TRP  67           HE3      TRP 114  15.521   1.532  -4.006
  879    HZ2  TRP  67           HZ2      TRP 114  10.620   1.877  -3.655
  880    HZ3  TRP  67           HZ3      TRP 114  14.255  -0.206  -2.803
  881    HH2  TRP  67           HH2      TRP 114  11.791  -0.050  -2.641
  882    H    ASN  68           HN       ASN 115  17.036   7.387  -6.462
  883    HA   ASN  68           HA       ASN 115  19.707   6.497  -6.569
  884   1HB   ASN  68           HB2      ASN 115  18.546   9.299  -6.662
  885   2HB   ASN  68           HB1      ASN 115  20.240   8.938  -7.008
  886   1HD2  ASN  68          HD22      ASN 115  18.103   6.714  -9.597
  887   2HD2  ASN  68          HD21      ASN 115  18.197   6.353  -7.941
  888    H    VAL  69           HN       VAL 116  17.991   7.446  -3.835
  889    HA   VAL  69           HA       VAL 116  19.536   9.070  -2.248
  890    HB   VAL  69           HB       VAL 116  18.651   6.385  -1.169
  891   1HG1  VAL  69          HG12      VAL 116  19.822   8.143   0.255
  892   2HG1  VAL  69          HG11      VAL 116  18.400   9.158   0.015
  893   3HG1  VAL  69          HG13      VAL 116  18.247   7.609   0.845
  894   1HG2  VAL  69          HG23      VAL 116  16.949   8.693  -2.119
  895   2HG2  VAL  69          HG22      VAL 116  16.759   6.974  -2.462
  896   3HG2  VAL  69          HG21      VAL 116  16.387   7.595  -0.857
  897    H    ASP  70           HN       ASP 117  21.539   8.991  -1.250
  898    HA   ASP  70           HA       ASP 117  23.557   7.259  -2.260
  899   1HB   ASP  70           HB2      ASP 117  23.451   8.937   0.266
  900   2HB   ASP  70           HB1      ASP 117  24.897   8.076  -0.260
  901    H    GLY  71           HN       GLY 118  21.535   7.068   0.641
  902   1HA   GLY  71           HA2      GLY 118  21.620   4.240   0.803
  903   2HA   GLY  71           HA1      GLY 118  22.871   4.868   1.876
   
  No H/Q in entry =         903
  Start of MODEL   30
    1   1H    MET   1           HT3      MET   1  -8.101  -2.859   7.979
    2   2H    MET   1           HT2      MET   1  -8.983  -3.331   9.353
    3   3H    MET   1           HT1      MET   1  -9.505  -2.015   8.414
    4    HA   MET   1           HA       MET   1  -8.353  -0.640   9.687
    5   1HB   MET   1           HB2      MET   1  -7.248  -3.178  10.938
    6   2HB   MET   1           HB1      MET   1  -7.040  -1.559  11.605
    7   1HG   MET   1           HG2      MET   1  -9.727  -2.863  11.081
    8   2HG   MET   1           HG1      MET   1  -8.938  -2.802  12.656
    9   1HE   MET   1           HE1      MET   1 -10.886  -1.700  13.788
   10   2HE   MET   1           HE3      MET   1 -11.752  -0.271  13.204
   11   3HE   MET   1           HE2      MET   1 -11.811  -1.777  12.290
   12    H    VAL   2           HN       VAL   2  -5.743  -0.511  10.574
   13    HA   VAL   2           HA       VAL   2  -4.241  -0.630   7.994
   14    HB   VAL   2           HB       VAL   2  -3.689   0.841  10.593
   15   1HG1  VAL   2          HG12      VAL   2  -2.190   0.722   7.963
   16   2HG1  VAL   2          HG11      VAL   2  -1.948   1.998   9.155
   17   3HG1  VAL   2          HG13      VAL   2  -1.571   0.325   9.568
   18   1HG2  VAL   2          HG21      VAL   2  -5.591   1.696   9.234
   19   2HG2  VAL   2          HG23      VAL   2  -4.237   2.825   9.243
   20   3HG2  VAL   2          HG22      VAL   2  -4.523   1.803   7.835
   21    H    LYS   3           HN       LYS   3  -2.478  -2.003   7.760
   22    HA   LYS   3           HA       LYS   3  -1.463  -3.450  10.191
   23   1HB   LYS   3           HB2      LYS   3  -2.964  -4.894   8.762
   24   2HB   LYS   3           HB1      LYS   3  -1.870  -4.620   7.411
   25   1HG   LYS   3           HG2      LYS   3  -1.111  -6.673   8.250
   26   2HG   LYS   3           HG1      LYS   3  -0.025  -5.534   9.035
   27   1HD   LYS   3           HD2      LYS   3  -1.409  -5.580  11.066
   28   2HD   LYS   3           HD1      LYS   3  -2.551  -6.666  10.276
   29   1HE   LYS   3           HE2      LYS   3  -1.090  -8.017  11.642
   30   2HE   LYS   3           HE1      LYS   3  -0.648  -8.294   9.959
   31   1HZ   LYS   3           HZ3      LYS   3   0.697  -6.286  11.674
   32   2HZ   LYS   3           HZ2      LYS   3   1.247  -7.886  11.519
   33   3HZ   LYS   3           HZ1      LYS   3   1.204  -6.865  10.162
   34    H    GLN   4           HN       GLN   4   0.727  -3.275  10.379
   35    HA   GLN   4           HA       GLN   4   2.243  -2.080   8.105
   36   1HB   GLN   4           HB2      GLN   4   2.445  -1.017  10.346
   37   2HB   GLN   4           HB1      GLN   4   3.063  -2.537  10.994
   38   1HG   GLN   4           HG2      GLN   4   4.972  -2.438   9.419
   39   2HG   GLN   4           HG1      GLN   4   4.353  -0.918   8.773
   40   1HE2  GLN   4          HE22      GLN   4   6.445   0.657  11.162
   41   2HE2  GLN   4          HE21      GLN   4   6.168   0.359   9.514
   42    H    ILE   5           HN       ILE   5   3.422  -3.433   6.853
   43    HA   ILE   5           HA       ILE   5   4.056  -6.176   7.871
   44    HB   ILE   5           HB       ILE   5   4.382  -5.060   5.076
   45   1HG1  ILE   5          HG12      ILE   5   2.041  -4.793   5.652
   46   2HG1  ILE   5          HG11      ILE   5   2.198  -6.190   4.593
   47   1HG2  ILE   5          HG22      ILE   5   5.539  -7.210   5.843
   48   2HG2  ILE   5          HG21      ILE   5   3.926  -7.912   5.954
   49   3HG2  ILE   5          HG23      ILE   5   4.523  -7.317   4.413
   50   1HD1  ILE   5          HD13      ILE   5   2.318  -7.592   6.755
   51   2HD1  ILE   5          HD12      ILE   5   1.728  -6.149   7.574
   52   3HD1  ILE   5          HD11      ILE   5   0.752  -6.914   6.321
   53    H    GLU   6           HN       GLU   6   6.132  -6.237   8.804
   54    HA   GLU   6           HA       GLU   6   8.185  -4.341   7.762
   55   1HB   GLU   6           HB2      GLU   6   8.219  -6.134  10.203
   56   2HB   GLU   6           HB1      GLU   6   9.493  -5.001   9.749
   57   1HG   GLU   6           HG2      GLU   6   6.618  -4.181  10.231
   58   2HG   GLU   6           HG1      GLU   6   7.882  -4.090  11.456
   59    H    SER   7           HN       SER   7   7.168  -7.402   7.042
   60    HA   SER   7           HA       SER   7   9.772  -8.031   5.794
   61   1HB   SER   7           HB2      SER   7   9.833 -10.324   6.747
   62   2HB   SER   7           HB1      SER   7  10.024  -9.084   7.989
   63    HG   SER   7           HG       SER   7   8.244  -9.781   8.856
   64    H    LYS   8           HN       LYS   8   9.608  -9.763   4.210
   65    HA   LYS   8           HA       LYS   8   7.160  -9.761   2.710
   66   1HB   LYS   8           HB2      LYS   8   9.496 -10.291   1.831
   67   2HB   LYS   8           HB1      LYS   8   9.325 -11.875   2.595
   68   1HG   LYS   8           HG2      LYS   8   7.094 -12.050   1.288
   69   2HG   LYS   8           HG1      LYS   8   7.720 -10.711   0.323
   70   1HD   LYS   8           HD2      LYS   8   9.097 -13.378   0.751
   71   2HD   LYS   8           HD1      LYS   8   8.281 -12.865  -0.726
   72   1HE   LYS   8           HE2      LYS   8   9.861 -10.869  -0.745
   73   2HE   LYS   8           HE1      LYS   8  10.777 -11.697   0.512
   74   1HZ   LYS   8           HZ2      LYS   8  10.305 -13.572  -1.456
   75   2HZ   LYS   8           HZ1      LYS   8  10.771 -12.158  -2.277
   76   3HZ   LYS   8           HZ3      LYS   8  11.783 -12.819  -1.088
   77    H    THR   9           HN       THR   9   8.527 -11.875   5.159
   78    HA   THR   9           HA       THR   9   6.829 -14.101   4.843
   79    HB   THR   9           HB       THR   9   7.845 -12.971   7.463
   80    HG1  THR   9           HG1      THR   9   9.600 -13.277   6.200
   81   1HG2  THR   9          HG22      THR   9   6.907 -15.711   6.588
   82   2HG2  THR   9          HG21      THR   9   7.836 -15.436   8.062
   83   3HG2  THR   9          HG23      THR   9   6.242 -14.705   7.876
   84    H    ALA  10           HN       ALA  10   6.326 -11.176   6.821
   85    HA   ALA  10           HA       ALA  10   3.672 -11.955   7.647
   86   1HB   ALA  10           HB3      ALA  10   5.198  -9.346   7.649
   87   2HB   ALA  10           HB2      ALA  10   3.492  -9.394   8.096
   88   3HB   ALA  10           HB1      ALA  10   4.673 -10.318   9.023
   89    H    PHE  11           HN       PHE  11   4.979 -10.316   4.820
   90    HA   PHE  11           HA       PHE  11   2.597  -9.084   3.863
   91   1HB   PHE  11           HB2      PHE  11   4.948  -8.867   2.870
   92   2HB   PHE  11           HB1      PHE  11   4.691 -10.430   2.121
   93    HD1  PHE  11           HD1      PHE  11   2.906  -7.160   2.541
   94    HD2  PHE  11           HD2      PHE  11   3.816 -10.463  -0.053
   95    HE1  PHE  11           HE1      PHE  11   1.659  -6.062   0.705
   96    HE2  PHE  11           HE2      PHE  11   2.571  -9.359  -1.891
   97    HZ   PHE  11           HZ       PHE  11   1.490  -7.164  -1.505
   98    H    GLN  12           HN       GLN  12   3.923 -12.328   3.302
   99    HA   GLN  12           HA       GLN  12   1.800 -13.255   1.608
  100   1HB   GLN  12           HB2      GLN  12   3.581 -14.863   3.474
  101   2HB   GLN  12           HB1      GLN  12   2.702 -15.480   2.076
  102   1HG   GLN  12           HG2      GLN  12   4.860 -13.349   1.949
  103   2HG   GLN  12           HG1      GLN  12   5.106 -15.054   1.568
  104   1HE2  GLN  12          HE22      GLN  12   3.989 -12.824  -1.419
  105   2HE2  GLN  12          HE21      GLN  12   4.962 -12.383  -0.101
  106    H    GLU  13           HN       GLU  13   2.365 -13.463   5.109
  107    HA   GLU  13           HA       GLU  13   0.026 -14.997   5.732
  108   1HB   GLU  13           HB2      GLU  13   1.637 -13.029   7.394
  109   2HB   GLU  13           HB1      GLU  13   0.397 -14.080   8.056
  110   1HG   GLU  13           HG2      GLU  13   2.834 -15.066   6.548
  111   2HG   GLU  13           HG1      GLU  13   2.704 -15.017   8.307
  112    H    ALA  14           HN       ALA  14   0.586 -11.533   5.380
  113    HA   ALA  14           HA       ALA  14  -1.967 -10.713   6.410
  114   1HB   ALA  14           HB2      ALA  14   0.122  -9.273   6.018
  115   2HB   ALA  14           HB1      ALA  14  -0.372  -9.221   4.325
  116   3HB   ALA  14           HB3      ALA  14  -1.431  -8.562   5.572
  117    H    LEU  15           HN       LEU  15  -0.794 -11.413   3.116
  118    HA   LEU  15           HA       LEU  15  -3.198 -10.712   1.757
  119   1HB   LEU  15           HB2      LEU  15  -1.070 -12.766   1.089
  120   2HB   LEU  15           HB1      LEU  15  -2.347 -12.279  -0.027
  121    HG   LEU  15           HG       LEU  15  -0.408 -10.324   1.247
  122   1HD1  LEU  15          HD13      LEU  15  -0.206 -11.952  -1.275
  123   2HD1  LEU  15          HD12      LEU  15   0.513 -10.342  -1.213
  124   3HD1  LEU  15          HD11      LEU  15   1.036 -11.583  -0.079
  125   1HD2  LEU  15          HD21      LEU  15  -2.562 -10.134  -0.858
  126   2HD2  LEU  15          HD23      LEU  15  -2.230  -9.053   0.493
  127   3HD2  LEU  15          HD22      LEU  15  -1.186  -9.034  -0.923
  128    H    ASP  16           HN       ASP  16  -2.111 -13.723   3.279
  129    HA   ASP  16           HA       ASP  16  -4.395 -15.273   2.465
  130   1HB   ASP  16           HB2      ASP  16  -2.165 -16.180   3.329
  131   2HB   ASP  16           HB1      ASP  16  -2.728 -15.746   4.947
  132    H    ALA  17           HN       ALA  17  -3.617 -13.326   5.291
  133    HA   ALA  17           HA       ALA  17  -5.949 -14.021   6.823
  134   1HB   ALA  17           HB1      ALA  17  -4.122 -11.605   6.908
  135   2HB   ALA  17           HB3      ALA  17  -5.374 -11.937   8.104
  136   3HB   ALA  17           HB2      ALA  17  -4.016 -13.047   7.920
  137    H    ALA  18           HN       ALA  18  -5.250 -11.509   4.445
  138    HA   ALA  18           HA       ALA  18  -7.551  -9.902   4.889
  139   1HB   ALA  18           HB2      ALA  18  -5.836 -10.377   2.454
  140   2HB   ALA  18           HB1      ALA  18  -7.214  -9.277   2.420
  141   3HB   ALA  18           HB3      ALA  18  -5.869  -8.971   3.519
  142    H    GLY  19           HN       GLY  19  -7.260 -13.029   3.371
  143   1HA   GLY  19           HA2      GLY  19  -8.975 -14.425   2.552
  144   2HA   GLY  19           HA1      GLY  19 -10.130 -13.278   3.233
  145    H    ASP  20           HN       ASP  20 -11.511 -13.066   1.485
  146    HA   ASP  20           HA       ASP  20 -10.426 -12.535  -1.210
  147   1HB   ASP  20           HB2      ASP  20 -13.273 -12.785  -0.202
  148   2HB   ASP  20           HB1      ASP  20 -12.804 -12.633  -1.898
  149    H    LYS  21           HN       LYS  21 -10.836 -10.602   1.394
  150    HA   LYS  21           HA       LYS  21 -12.342  -8.392   0.247
  151   1HB   LYS  21           HB2      LYS  21 -10.414  -8.556   2.583
  152   2HB   LYS  21           HB1      LYS  21 -11.316  -7.101   2.162
  153   1HG   LYS  21           HG2      LYS  21 -13.419  -8.631   2.292
  154   2HG   LYS  21           HG1      LYS  21 -12.366  -9.750   3.156
  155   1HD   LYS  21           HD2      LYS  21 -11.762  -7.773   4.671
  156   2HD   LYS  21           HD1      LYS  21 -13.129  -6.934   3.938
  157   1HE   LYS  21           HE2      LYS  21 -13.311  -9.635   5.303
  158   2HE   LYS  21           HE1      LYS  21 -13.743  -8.099   6.058
  159   1HZ   LYS  21           HZ1      LYS  21 -14.949  -9.146   3.556
  160   2HZ   LYS  21           HZ3      LYS  21 -15.658  -9.271   5.091
  161   3HZ   LYS  21           HZ2      LYS  21 -15.410  -7.741   4.394
  162    H    LEU  22           HN       LEU  22 -11.446  -6.367  -0.540
  163    HA   LEU  22           HA       LEU  22  -9.217  -6.639  -2.268
  164   1HB   LEU  22           HB2      LEU  22 -11.208  -4.765  -1.886
  165   2HB   LEU  22           HB1      LEU  22  -9.803  -3.898  -1.292
  166    HG   LEU  22           HG       LEU  22 -10.160  -5.103  -4.042
  167   1HD1  LEU  22          HD13      LEU  22 -10.468  -2.387  -2.889
  168   2HD1  LEU  22          HD12      LEU  22  -9.459  -2.427  -4.326
  169   3HD1  LEU  22          HD11      LEU  22 -11.103  -3.056  -4.388
  170   1HD2  LEU  22          HD23      LEU  22  -7.726  -3.963  -2.667
  171   2HD2  LEU  22          HD22      LEU  22  -7.856  -5.446  -3.616
  172   3HD2  LEU  22          HD21      LEU  22  -7.892  -3.886  -4.415
  173    H    VAL  23           HN       VAL  23  -7.044  -5.650  -2.044
  174    HA   VAL  23           HA       VAL  23  -6.226  -4.946   0.723
  175    HB   VAL  23           HB       VAL  23  -4.858  -7.069  -0.961
  176   1HG1  VAL  23          HG12      VAL  23  -4.192  -5.703   1.644
  177   2HG1  VAL  23          HG11      VAL  23  -3.631  -7.345   1.331
  178   3HG1  VAL  23          HG13      VAL  23  -3.141  -6.029   0.267
  179   1HG2  VAL  23          HG21      VAL  23  -6.494  -7.231   1.584
  180   2HG2  VAL  23          HG23      VAL  23  -6.928  -7.903   0.014
  181   3HG2  VAL  23          HG22      VAL  23  -5.565  -8.569   0.909
  182    H    VAL  24           HN       VAL  24  -5.340  -3.000   0.455
  183    HA   VAL  24           HA       VAL  24  -3.799  -2.422  -2.035
  184    HB   VAL  24           HB       VAL  24  -4.785  -0.518   0.119
  185   1HG1  VAL  24          HG13      VAL  24  -2.809   0.207  -1.274
  186   2HG1  VAL  24          HG12      VAL  24  -3.824   0.027  -2.704
  187   3HG1  VAL  24          HG11      VAL  24  -4.236   1.224  -1.477
  188   1HG2  VAL  24          HG21      VAL  24  -5.987  -1.429  -2.505
  189   2HG2  VAL  24          HG23      VAL  24  -6.742  -1.391  -0.911
  190   3HG2  VAL  24          HG22      VAL  24  -6.423   0.116  -1.770
  191    H    VAL  25           HN       VAL  25  -1.607  -1.841  -1.867
  192    HA   VAL  25           HA       VAL  25  -0.374  -1.996   0.873
  193    HB   VAL  25           HB       VAL  25   0.811  -3.007  -1.729
  194   1HG1  VAL  25          HG11      VAL  25   2.391  -2.277   0.102
  195   2HG1  VAL  25          HG13      VAL  25   1.665  -3.517   1.124
  196   3HG1  VAL  25          HG12      VAL  25   2.525  -3.976  -0.345
  197   1HG2  VAL  25          HG21      VAL  25  -1.210  -4.300  -0.913
  198   2HG2  VAL  25          HG23      VAL  25   0.279  -5.236  -0.984
  199   3HG2  VAL  25          HG22      VAL  25  -0.313  -4.637   0.564
  200    H    ASP  26           HN       ASP  26   0.670  -0.136   1.382
  201    HA   ASP  26           HA       ASP  26   1.426   1.750  -0.809
  202   1HB   ASP  26           HB2      ASP  26   0.026   2.632   1.031
  203   2HB   ASP  26           HB1      ASP  26   1.264   2.175   2.198
  204    H    PHE  27           HN       PHE  27   3.515   1.716  -1.461
  205    HA   PHE  27           HA       PHE  27   5.619   0.596   0.334
  206   1HB   PHE  27           HB2      PHE  27   5.501   1.166  -2.638
  207   2HB   PHE  27           HB1      PHE  27   7.030   0.829  -1.817
  208    HD1  PHE  27           HD1      PHE  27   7.335  -1.330  -0.587
  209    HD2  PHE  27           HD2      PHE  27   3.951  -0.589  -3.129
  210    HE1  PHE  27           HE1      PHE  27   6.887  -3.765  -0.699
  211    HE2  PHE  27           HE2      PHE  27   3.505  -3.019  -3.213
  212    HZ   PHE  27           HZ       PHE  27   4.965  -4.609  -2.012
  213    H    SER  28           HN       SER  28   4.386   3.326   0.603
  214    HA   SER  28           HA       SER  28   6.190   5.306  -0.318
  215   1HB   SER  28           HB2      SER  28   4.584   5.309   2.245
  216   2HB   SER  28           HB1      SER  28   5.313   6.720   1.485
  217    HG   SER  28           HG       SER  28   2.998   6.196   1.023
  218    H    ALA  29           HN       ALA  29   7.997   6.246   0.563
  219    HA   ALA  29           HA       ALA  29   9.546   4.543   2.388
  220   1HB   ALA  29           HB3      ALA  29  10.083   6.912   0.628
  221   2HB   ALA  29           HB2      ALA  29  11.155   6.674   2.004
  222   3HB   ALA  29           HB1      ALA  29  10.995   5.411   0.781
  223    H    THR  30           HN       THR  30   9.515   4.849   4.543
  224    HA   THR  30           HA       THR  30   7.976   6.980   5.711
  225    HB   THR  30           HB       THR  30   8.278   4.802   6.838
  226    HG1  THR  30           HG1      THR  30   8.495   5.667   8.821
  227   1HG2  THR  30          HG22      THR  30  10.655   4.483   6.081
  228   2HG2  THR  30          HG21      THR  30  11.141   5.683   7.278
  229   3HG2  THR  30          HG23      THR  30  10.406   4.168   7.799
  230    H    TRP  31           HN       TRP  31  11.367   6.552   4.890
  231    HA   TRP  31           HA       TRP  31  12.281   8.827   6.478
  232   1HB   TRP  31           HB2      TRP  31  14.374   8.563   5.195
  233   2HB   TRP  31           HB1      TRP  31  13.818   7.016   5.831
  234    HD1  TRP  31           HD1      TRP  31  12.964   5.215   4.122
  235    HE1  TRP  31           HE1      TRP  31  13.173   4.999   1.559
  236    HE3  TRP  31           HE3      TRP  31  14.306   9.986   2.973
  237    HZ2  TRP  31           HZ2      TRP  31  13.780   6.674  -0.689
  238    HZ3  TRP  31           HZ3      TRP  31  14.660  10.664   0.623
  239    HH2  TRP  31           HH2      TRP  31  14.400   9.017  -1.208
  240    H    CYS  32           HN       CYS  32  10.619   8.505   3.496
  241    HA   CYS  32           HA       CYS  32  11.619  11.091   2.440
  242   1HB   CYS  32           HB2      CYS  32  11.033   9.029   0.988
  243   2HB   CYS  32           HB1      CYS  32   9.352   9.441   1.304
  244    H    GLY  33           HN       GLY  33  10.760  12.896   3.272
  245   1HA   GLY  33           HA2      GLY  33   8.470  12.989   4.939
  246   2HA   GLY  33           HA1      GLY  33   9.217  14.391   4.183
  247    HA   PRO  34           HA       PRO  34   6.098  14.950   1.102
  248   1HB   PRO  34           HB2      PRO  34   7.442  13.336  -1.019
  249   2HB   PRO  34           HB1      PRO  34   6.914  15.027  -1.054
  250   1HG   PRO  34           HG2      PRO  34   9.544  14.271  -0.844
  251   2HG   PRO  34           HG1      PRO  34   8.920  15.806  -0.219
  252   1HD   PRO  34           HD2      PRO  34   9.823  13.420   1.277
  253   2HD   PRO  34           HD1      PRO  34   9.605  15.087   1.863
  254    H    ALA  35           HN       ALA  35   7.354  11.620   1.099
  255    HA   ALA  35           HA       ALA  35   4.833  10.488   0.173
  256   1HB   ALA  35           HB2      ALA  35   7.357   9.573   0.073
  257   2HB   ALA  35           HB1      ALA  35   6.865   8.782   1.567
  258   3HB   ALA  35           HB3      ALA  35   5.976   8.478   0.073
  259    H    LYS  36           HN       LYS  36   6.535  10.594   3.319
  260    HA   LYS  36           HA       LYS  36   4.558   9.172   4.803
  261   1HB   LYS  36           HB2      LYS  36   6.870   9.790   5.621
  262   2HB   LYS  36           HB1      LYS  36   6.278  11.436   5.855
  263   1HG   LYS  36           HG2      LYS  36   4.461  10.503   7.326
  264   2HG   LYS  36           HG1      LYS  36   5.234   8.922   7.196
  265   1HD   LYS  36           HD2      LYS  36   7.323   9.889   8.138
  266   2HD   LYS  36           HD1      LYS  36   6.501  11.440   8.322
  267   1HE   LYS  36           HE2      LYS  36   4.866  10.427   9.839
  268   2HE   LYS  36           HE1      LYS  36   5.613   8.845   9.619
  269   1HZ   LYS  36           HZ3      LYS  36   7.720   9.941  10.437
  270   2HZ   LYS  36           HZ2      LYS  36   6.746  11.236  10.946
  271   3HZ   LYS  36           HZ1      LYS  36   6.509   9.682  11.594
  272    H    MET  37           HN       MET  37   4.768  12.512   3.770
  273    HA   MET  37           HA       MET  37   2.765  13.654   5.431
  274   1HB   MET  37           HB2      MET  37   4.308  14.941   3.943
  275   2HB   MET  37           HB1      MET  37   3.390  14.371   2.553
  276   1HG   MET  37           HG2      MET  37   1.998  15.778   4.828
  277   2HG   MET  37           HG1      MET  37   2.797  16.699   3.554
  278   1HE   MET  37           HE1      MET  37   0.318  17.509   3.867
  279   2HE   MET  37           HE3      MET  37   0.688  17.814   2.164
  280   3HE   MET  37           HE2      MET  37  -0.861  17.110   2.622
  281    H    ILE  38           HN       ILE  38   2.509  11.651   2.569
  282    HA   ILE  38           HA       ILE  38  -0.326  12.220   2.166
  283    HB   ILE  38           HB       ILE  38   1.216   9.887   1.000
  284   1HG1  ILE  38          HG12      ILE  38   0.986  12.686  -0.157
  285   2HG1  ILE  38          HG11      ILE  38   2.418  12.095   0.680
  286   1HG2  ILE  38          HG21      ILE  38  -1.269  11.433   0.221
  287   2HG2  ILE  38          HG23      ILE  38  -0.403  10.418  -0.927
  288   3HG2  ILE  38          HG22      ILE  38  -1.109   9.705   0.517
  289   1HD1  ILE  38          HD12      ILE  38   2.339  10.125  -1.001
  290   2HD1  ILE  38          HD11      ILE  38   1.270  11.167  -1.940
  291   3HD1  ILE  38          HD13      ILE  38   2.913  11.688  -1.572
  292    H    LYS  39           HN       LYS  39   1.259  10.343   4.473
  293    HA   LYS  39           HA       LYS  39  -0.283   7.978   4.388
  294   1HB   LYS  39           HB2      LYS  39   0.500   7.409   6.514
  295   2HB   LYS  39           HB1      LYS  39   1.775   8.405   5.838
  296   1HG   LYS  39           HG2      LYS  39   1.301  10.220   7.255
  297   2HG   LYS  39           HG1      LYS  39  -0.334   9.673   7.609
  298   1HD   LYS  39           HD2      LYS  39   2.200   8.276   8.503
  299   2HD   LYS  39           HD1      LYS  39   1.219   9.334   9.512
  300   1HE   LYS  39           HE2      LYS  39   0.187   7.383  10.133
  301   2HE   LYS  39           HE1      LYS  39  -0.683   7.561   8.610
  302   1HZ   LYS  39           HZ1      LYS  39   1.887   6.371   8.246
  303   2HZ   LYS  39           HZ3      LYS  39   0.933   5.477   9.327
  304   3HZ   LYS  39           HZ2      LYS  39   0.356   5.809   7.763
  305    HA   PRO  40           HA       PRO  40  -3.436  10.157   7.403
  306   1HB   PRO  40           HB2      PRO  40  -3.812  12.648   5.799
  307   2HB   PRO  40           HB1      PRO  40  -3.772  12.439   7.561
  308   1HG   PRO  40           HG2      PRO  40  -1.734  13.601   6.274
  309   2HG   PRO  40           HG1      PRO  40  -1.443  12.516   7.645
  310   1HD   PRO  40           HD2      PRO  40  -1.159  11.964   4.719
  311   2HD   PRO  40           HD1      PRO  40  -0.111  11.431   6.048
  312    H    PHE  41           HN       PHE  41  -3.390  10.751   3.872
  313    HA   PHE  41           HA       PHE  41  -6.246  10.301   3.577
  314   1HB   PHE  41           HB2      PHE  41  -3.962  10.172   1.577
  315   2HB   PHE  41           HB1      PHE  41  -5.658  10.000   1.158
  316    HD1  PHE  41           HD2      PHE  41  -3.234  12.308   2.763
  317    HD2  PHE  41           HD1      PHE  41  -7.039  11.881   0.822
  318    HE1  PHE  41           HE2      PHE  41  -3.460  14.776   2.676
  319    HE2  PHE  41           HE1      PHE  41  -7.271  14.354   0.737
  320    HZ   PHE  41           HZ       PHE  41  -5.477  15.800   1.663
  321    H    PHE  42           HN       PHE  42  -3.349   8.340   2.862
  322    HA   PHE  42           HA       PHE  42  -4.722   5.947   2.162
  323   1HB   PHE  42           HB2      PHE  42  -2.334   6.362   1.705
  324   2HB   PHE  42           HB1      PHE  42  -1.987   6.333   3.437
  325    HD1  PHE  42           HD1      PHE  42  -3.125   4.279   0.550
  326    HD2  PHE  42           HD2      PHE  42  -1.807   4.268   4.643
  327    HE1  PHE  42           HE1      PHE  42  -2.907   1.809   0.476
  328    HE2  PHE  42           HE2      PHE  42  -1.586   1.800   4.563
  329    HZ   PHE  42           HZ       PHE  42  -2.138   0.570   2.482
  330    H    HIS  43           HN       HIS  43  -3.410   7.050   5.280
  331    HA   HIS  43           HA       HIS  43  -4.299   4.772   6.798
  332   1HB   HIS  43           HB2      HIS  43  -2.497   6.293   7.546
  333   2HB   HIS  43           HB1      HIS  43  -3.666   7.602   7.693
  334    HD1  HIS  43           HD1      HIS  43  -2.481   4.495   9.366
  335    HD2  HIS  43           HD2      HIS  43  -5.495   7.316   9.875
  336    HE1  HIS  43           HE1      HIS  43  -3.568   3.982  11.596
  337    H    SER  44           HN       SER  44  -5.724   8.011   6.261
  338    HA   SER  44           HA       SER  44  -7.940   7.647   8.021
  339   1HB   SER  44           HB2      SER  44  -7.716   9.398   5.565
  340   2HB   SER  44           HB1      SER  44  -9.025   9.480   6.737
  341    HG   SER  44           HG       SER  44  -7.360  10.981   7.199
  342    H    LEU  45           HN       LEU  45  -7.519   6.881   4.594
  343    HA   LEU  45           HA       LEU  45 -10.228   6.259   4.017
  344   1HB   LEU  45           HB2      LEU  45  -7.661   5.227   2.837
  345   2HB   LEU  45           HB1      LEU  45  -9.233   4.804   2.189
  346    HG   LEU  45           HG       LEU  45  -8.466   7.699   2.604
  347   1HD1  LEU  45          HD13      LEU  45  -7.907   5.979   0.172
  348   2HD1  LEU  45          HD12      LEU  45  -7.746   7.734   0.223
  349   3HD1  LEU  45          HD11      LEU  45  -6.702   6.722   1.218
  350   1HD2  LEU  45          HD21      LEU  45 -10.491   6.214   0.914
  351   2HD2  LEU  45          HD23      LEU  45 -10.778   7.462   2.127
  352   3HD2  LEU  45          HD22      LEU  45 -10.046   7.885   0.583
  353    H    SER  46           HN       SER  46  -7.827   4.436   5.777
  354    HA   SER  46           HA       SER  46  -8.818   1.825   5.421
  355   1HB   SER  46           HB2      SER  46  -7.755   3.059   7.978
  356   2HB   SER  46           HB1      SER  46  -7.940   1.336   7.685
  357    HG   SER  46           HG       SER  46  -6.394   3.082   6.063
  358    H    GLU  47           HN       GLU  47  -9.996   4.439   7.481
  359    HA   GLU  47           HA       GLU  47 -12.149   2.744   8.549
  360   1HB   GLU  47           HB2      GLU  47 -11.523   5.705   8.820
  361   2HB   GLU  47           HB1      GLU  47 -12.915   4.933   9.577
  362   1HG   GLU  47           HG2      GLU  47 -10.038   4.084  10.014
  363   2HG   GLU  47           HG1      GLU  47 -10.950   5.113  11.117
  364    H    LYS  48           HN       LYS  48 -11.639   4.757   5.762
  365    HA   LYS  48           HA       LYS  48 -14.454   5.418   5.367
  366   1HB   LYS  48           HB2      LYS  48 -12.580   6.752   4.341
  367   2HB   LYS  48           HB1      LYS  48 -12.241   5.369   3.297
  368   1HG   LYS  48           HG2      LYS  48 -14.560   5.464   2.428
  369   2HG   LYS  48           HG1      LYS  48 -14.864   6.879   3.434
  370   1HD   LYS  48           HD2      LYS  48 -13.033   8.075   2.266
  371   2HD   LYS  48           HD1      LYS  48 -12.803   6.668   1.226
  372   1HE   LYS  48           HE2      LYS  48 -15.144   6.869   0.451
  373   2HE   LYS  48           HE1      LYS  48 -15.349   8.294   1.469
  374   1HZ   LYS  48           HZ3      LYS  48 -13.064   8.331  -0.322
  375   2HZ   LYS  48           HZ2      LYS  48 -14.586   8.406  -1.074
  376   3HZ   LYS  48           HZ1      LYS  48 -14.146   9.573   0.081
  377    H    TYR  49           HN       TYR  49 -12.196   2.942   4.320
  378    HA   TYR  49           HA       TYR  49 -14.524   1.360   3.238
  379   1HB   TYR  49           HB2      TYR  49 -11.643   1.397   2.263
  380   2HB   TYR  49           HB1      TYR  49 -12.887   0.286   1.695
  381    HD1  TYR  49           HD2      TYR  49 -15.117   1.399   0.848
  382    HD2  TYR  49           HD1      TYR  49 -11.345   3.433   1.131
  383    HE1  TYR  49           HE2      TYR  49 -15.906   3.089  -0.785
  384    HE2  TYR  49           HE1      TYR  49 -12.136   5.126  -0.494
  385    HH   TYR  49           HH       TYR  49 -13.868   5.186  -2.379
  386    H    SER  50           HN       SER  50 -14.373   0.986   5.696
  387    HA   SER  50           HA       SER  50 -12.249  -0.543   6.807
  388   1HB   SER  50           HB2      SER  50 -13.764  -0.977   8.617
  389   2HB   SER  50           HB1      SER  50 -14.106   0.648   8.048
  390    HG   SER  50           HG       SER  50 -15.734  -0.432   6.670
  391    H    ASN  51           HN       ASN  51 -14.478  -1.305   4.403
  392    HA   ASN  51           HA       ASN  51 -14.527  -4.200   4.997
  393   1HB   ASN  51           HB2      ASN  51 -16.509  -2.958   3.981
  394   2HB   ASN  51           HB1      ASN  51 -15.545  -2.791   2.516
  395   1HD2  ASN  51          HD22      ASN  51 -16.276  -6.056   1.431
  396   2HD2  ASN  51          HD21      ASN  51 -15.727  -4.496   1.045
  397    H    VAL  52           HN       VAL  52 -12.241  -2.216   4.046
  398    HA   VAL  52           HA       VAL  52 -11.029  -4.140   2.109
  399    HB   VAL  52           HB       VAL  52 -10.929  -1.111   2.092
  400   1HG1  VAL  52          HG13      VAL  52  -9.163  -3.174   0.803
  401   2HG1  VAL  52          HG12      VAL  52  -9.517  -1.688  -0.079
  402   3HG1  VAL  52          HG11      VAL  52  -8.734  -1.614   1.497
  403   1HG2  VAL  52          HG23      VAL  52 -12.008  -3.218   0.205
  404   2HG2  VAL  52          HG22      VAL  52 -12.897  -1.920   0.996
  405   3HG2  VAL  52          HG21      VAL  52 -11.748  -1.546  -0.288
  406    H    ILE  53           HN       ILE  53  -8.799  -4.566   2.497
  407    HA   ILE  53           HA       ILE  53  -7.856  -3.654   5.197
  408    HB   ILE  53           HB       ILE  53  -6.663  -5.787   3.406
  409   1HG1  ILE  53          HG12      ILE  53  -8.983  -6.399   3.841
  410   2HG1  ILE  53          HG11      ILE  53  -7.936  -7.406   4.833
  411   1HG2  ILE  53          HG23      ILE  53  -5.443  -4.693   5.476
  412   2HG2  ILE  53          HG22      ILE  53  -6.520  -5.714   6.415
  413   3HG2  ILE  53          HG21      ILE  53  -5.402  -6.439   5.262
  414   1HD1  ILE  53          HD12      ILE  53  -8.310  -5.607   6.677
  415   2HD1  ILE  53          HD11      ILE  53  -9.668  -5.086   5.682
  416   3HD1  ILE  53          HD13      ILE  53  -9.626  -6.725   6.329
  417    H    PHE  54           HN       PHE  54  -6.348  -2.008   5.235
  418    HA   PHE  54           HA       PHE  54  -4.770  -1.444   2.741
  419   1HB   PHE  54           HB2      PHE  54  -5.303   0.260   5.197
  420   2HB   PHE  54           HB1      PHE  54  -4.263   0.739   3.863
  421    HD1  PHE  54           HD1      PHE  54  -7.740  -0.445   4.577
  422    HD2  PHE  54           HD2      PHE  54  -5.189   1.887   2.028
  423    HE1  PHE  54           HE1      PHE  54  -9.727   0.427   3.382
  424    HE2  PHE  54           HE2      PHE  54  -7.181   2.744   0.823
  425    HZ   PHE  54           HZ       PHE  54  -9.447   2.017   1.505
  426    H    LEU  55           HN       LEU  55  -2.592  -1.891   2.752
  427    HA   LEU  55           HA       LEU  55  -1.274  -2.483   5.383
  428   1HB   LEU  55           HB2      LEU  55  -0.661  -3.555   2.615
  429   2HB   LEU  55           HB1      LEU  55   0.439  -3.739   3.979
  430    HG   LEU  55           HG       LEU  55  -1.206  -5.035   5.200
  431   1HD1  LEU  55          HD13      LEU  55  -3.059  -4.156   3.006
  432   2HD1  LEU  55          HD12      LEU  55  -3.343  -5.699   3.813
  433   3HD1  LEU  55          HD11      LEU  55  -3.320  -4.216   4.748
  434   1HD2  LEU  55          HD22      LEU  55   0.212  -6.101   3.386
  435   2HD2  LEU  55          HD21      LEU  55  -1.234  -7.002   3.834
  436   3HD2  LEU  55          HD23      LEU  55  -1.211  -6.049   2.350
  437    H    GLU  56           HN       GLU  56   0.641  -1.512   5.868
  438    HA   GLU  56           HA       GLU  56   1.609   0.620   3.997
  439   1HB   GLU  56           HB2      GLU  56   0.737   1.374   6.265
  440   2HB   GLU  56           HB1      GLU  56   2.062   0.463   6.993
  441   1HG   GLU  56           HG2      GLU  56   3.678   1.773   5.621
  442   2HG   GLU  56           HG1      GLU  56   2.334   2.738   5.002
  443    H    VAL  57           HN       VAL  57   3.645   0.317   3.224
  444    HA   VAL  57           HA       VAL  57   5.373  -1.743   4.573
  445    HB   VAL  57           HB       VAL  57   5.016  -1.275   1.604
  446   1HG1  VAL  57          HG11      VAL  57   6.565  -3.310   3.217
  447   2HG1  VAL  57          HG13      VAL  57   6.260  -3.442   1.491
  448   3HG1  VAL  57          HG12      VAL  57   7.228  -2.106   2.108
  449   1HG2  VAL  57          HG23      VAL  57   3.979  -3.431   3.458
  450   2HG2  VAL  57          HG22      VAL  57   3.015  -2.266   2.553
  451   3HG2  VAL  57          HG21      VAL  57   3.919  -3.519   1.699
  452    H    ASP  58           HN       ASP  58   7.456  -1.119   4.907
  453    HA   ASP  58           HA       ASP  58   8.314   1.583   3.990
  454   1HB   ASP  58           HB2      ASP  58   8.505   0.794   6.403
  455   2HB   ASP  58           HB1      ASP  58   9.729  -0.348   5.837
  456    H    VAL  59           HN       VAL  59   9.544   1.665   2.125
  457    HA   VAL  59           HA       VAL  59  10.645  -0.749   0.957
  458    HB   VAL  59           HB       VAL  59  11.763   0.784  -0.631
  459   1HG1  VAL  59          HG13      VAL  59   8.885   1.353   0.087
  460   2HG1  VAL  59          HG12      VAL  59   9.647   2.044  -1.347
  461   3HG1  VAL  59          HG11      VAL  59   9.500   0.294  -1.182
  462   1HG2  VAL  59          HG21      VAL  59  10.728   2.940   1.221
  463   2HG2  VAL  59          HG23      VAL  59  12.414   2.554   0.902
  464   3HG2  VAL  59          HG22      VAL  59  11.414   3.233  -0.375
  465    H    ASP  60           HN       ASP  60  11.679   1.395   3.427
  466    HA   ASP  60           HA       ASP  60  14.541   0.663   3.121
  467   1HB   ASP  60           HB2      ASP  60  13.009   2.605   4.832
  468   2HB   ASP  60           HB1      ASP  60  14.657   2.174   5.248
  469    H    ASP  61           HN       ASP  61  11.932   0.239   5.561
  470    HA   ASP  61           HA       ASP  61  13.723  -1.619   7.063
  471   1HB   ASP  61           HB2      ASP  61  10.945  -0.582   7.728
  472   2HB   ASP  61           HB1      ASP  61  11.936  -1.599   8.768
  473    H    ALA  62           HN       ALA  62  11.286  -1.618   4.717
  474    HA   ALA  62           HA       ALA  62  10.851  -4.558   5.071
  475   1HB   ALA  62           HB2      ALA  62   8.867  -2.750   5.392
  476   2HB   ALA  62           HB1      ALA  62   8.793  -2.917   3.641
  477   3HB   ALA  62           HB3      ALA  62   8.576  -4.331   4.672
  478    H    GLN  63           HN       GLN  63  12.969  -3.306   3.656
  479    HA   GLN  63           HA       GLN  63  12.495  -2.886   0.893
  480   1HB   GLN  63           HB2      GLN  63  14.893  -3.233   0.598
  481   2HB   GLN  63           HB1      GLN  63  14.618  -2.318   2.082
  482   1HG   GLN  63           HG2      GLN  63  14.737  -4.481   3.359
  483   2HG   GLN  63           HG1      GLN  63  15.204  -5.285   1.861
  484   1HE2  GLN  63          HE22      GLN  63  18.319  -4.259   3.681
  485   2HE2  GLN  63          HE21      GLN  63  16.991  -5.241   4.072
  486    H    ASP  64           HN       ASP  64  12.618  -5.831   2.728
  487    HA   ASP  64           HA       ASP  64  13.220  -7.613   0.567
  488   1HB   ASP  64           HB2      ASP  64  12.077  -9.320   2.065
  489   2HB   ASP  64           HB1      ASP  64  13.398  -8.435   2.820
  490    H    VAL  65           HN       VAL  65  10.224  -6.199   1.806
  491    HA   VAL  65           HA       VAL  65   8.478  -7.731   0.091
  492    HB   VAL  65           HB       VAL  65   7.942  -4.969   1.207
  493   1HG1  VAL  65          HG11      VAL  65   6.330  -6.025  -0.413
  494   2HG1  VAL  65          HG13      VAL  65   6.095  -7.325   0.755
  495   3HG1  VAL  65          HG12      VAL  65   5.634  -5.674   1.170
  496   1HG2  VAL  65          HG23      VAL  65   8.022  -7.636   2.600
  497   2HG2  VAL  65          HG22      VAL  65   8.659  -6.087   3.139
  498   3HG2  VAL  65          HG21      VAL  65   6.924  -6.376   3.155
  499    H    ALA  66           HN       ALA  66   9.913  -4.478  -0.104
  500    HA   ALA  66           HA       ALA  66   8.669  -3.801  -2.603
  501   1HB   ALA  66           HB2      ALA  66   9.771  -2.284  -0.774
  502   2HB   ALA  66           HB1      ALA  66  11.249  -2.556  -1.698
  503   3HB   ALA  66           HB3      ALA  66   9.847  -1.808  -2.467
  504    H    SER  67           HN       SER  67  11.895  -5.081  -1.796
  505    HA   SER  67           HA       SER  67  12.979  -4.931  -4.425
  506   1HB   SER  67           HB2      SER  67  14.596  -6.588  -3.664
  507   2HB   SER  67           HB1      SER  67  14.271  -5.467  -2.344
  508    HG   SER  67           HG       SER  67  14.048  -7.435  -1.437
  509    H    GLU  68           HN       GLU  68  10.839  -7.270  -2.912
  510    HA   GLU  68           HA       GLU  68  11.003  -9.340  -4.864
  511   1HB   GLU  68           HB2      GLU  68   9.833  -9.499  -2.632
  512   2HB   GLU  68           HB1      GLU  68   8.540  -8.503  -3.300
  513   1HG   GLU  68           HG2      GLU  68   8.248 -10.197  -5.124
  514   2HG   GLU  68           HG1      GLU  68   9.435 -11.216  -4.314
  515    H    ALA  69           HN       ALA  69   9.088  -6.365  -4.696
  516    HA   ALA  69           HA       ALA  69   7.789  -6.987  -7.277
  517   1HB   ALA  69           HB2      ALA  69   7.497  -4.671  -5.352
  518   2HB   ALA  69           HB1      ALA  69   6.592  -4.826  -6.858
  519   3HB   ALA  69           HB3      ALA  69   6.375  -6.014  -5.573
  520    H    GLU  70           HN       GLU  70  10.746  -5.746  -6.463
  521    HA   GLU  70           HA       GLU  70  12.272  -4.360  -7.592
  522   1HB   GLU  70           HB2      GLU  70  10.432  -4.858  -9.950
  523   2HB   GLU  70           HB1      GLU  70  12.066  -4.213 -10.034
  524   1HG   GLU  70           HG2      GLU  70  11.354  -6.924  -8.911
  525   2HG   GLU  70           HG1      GLU  70  11.960  -6.633 -10.540
  526    H    VAL  71           HN       VAL  71  10.524  -2.884  -6.105
  527    HA   VAL  71           HA       VAL  71   8.993  -1.013  -7.642
  528    HB   VAL  71           HB       VAL  71  10.337  -0.488  -4.968
  529   1HG1  VAL  71          HG13      VAL  71   7.926   0.663  -6.407
  530   2HG1  VAL  71          HG12      VAL  71   8.295   0.989  -4.715
  531   3HG1  VAL  71          HG11      VAL  71   9.414   1.507  -5.981
  532   1HG2  VAL  71          HG22      VAL  71   7.765  -1.942  -5.683
  533   2HG2  VAL  71          HG21      VAL  71   9.091  -2.520  -4.675
  534   3HG2  VAL  71          HG23      VAL  71   8.031  -1.239  -4.088
  535    H    LYS  72           HN       LYS  72   9.649   0.761  -8.774
  536    HA   LYS  72           HA       LYS  72  12.564   1.373  -8.789
  537   1HB   LYS  72           HB2      LYS  72  10.402   1.941 -10.827
  538   2HB   LYS  72           HB1      LYS  72  12.090   2.405 -11.001
  539   1HG   LYS  72           HG2      LYS  72  11.338  -0.490 -10.490
  540   2HG   LYS  72           HG1      LYS  72  11.298   0.177 -12.120
  541   1HD   LYS  72           HD2      LYS  72  13.698   0.936 -11.769
  542   2HD   LYS  72           HD1      LYS  72  13.698  -0.002 -10.275
  543   1HE   LYS  72           HE2      LYS  72  13.106  -2.036 -11.568
  544   2HE   LYS  72           HE1      LYS  72  13.154  -1.089 -13.055
  545   1HZ   LYS  72           HZ1      LYS  72  15.510  -0.851 -11.398
  546   2HZ   LYS  72           HZ3      LYS  72  15.254  -2.406 -12.025
  547   3HZ   LYS  72           HZ2      LYS  72  15.378  -1.077 -13.076
  548    H    ALA  73           HN       ALA  73   9.584   2.628  -7.686
  549    HA   ALA  73           HA       ALA  73  10.903   5.126  -6.934
  550   1HB   ALA  73           HB1      ALA  73  10.087   5.378  -9.361
  551   2HB   ALA  73           HB3      ALA  73   8.463   5.399  -8.676
  552   3HB   ALA  73           HB2      ALA  73   9.630   6.641  -8.218
  553    H    THR  74           HN       THR  74   9.638   6.408  -5.454
  554    HA   THR  74           HA       THR  74   7.194   5.071  -4.348
  555    HB   THR  74           HB       THR  74   7.983   5.511  -2.086
  556    HG1  THR  74           HG1      THR  74  10.034   6.539  -1.834
  557   1HG2  THR  74          HG22      THR  74  10.224   4.402  -3.770
  558   2HG2  THR  74          HG21      THR  74  10.094   4.233  -2.023
  559   3HG2  THR  74          HG23      THR  74   8.895   3.479  -3.074
  560    HA   PRO  75           HA       PRO  75   5.850   5.712  -2.533
  561   1HB   PRO  75           HB2      PRO  75   3.270   6.702  -2.485
  562   2HB   PRO  75           HB1      PRO  75   4.537   7.162  -1.341
  563   1HG   PRO  75           HG2      PRO  75   3.421   8.712  -3.615
  564   2HG   PRO  75           HG1      PRO  75   4.184   9.289  -2.127
  565   1HD   PRO  75           HD2      PRO  75   5.400   9.173  -4.696
  566   2HD   PRO  75           HD1      PRO  75   6.240   9.459  -3.145
  567    H    THR  76           HN       THR  76   4.883   3.830  -3.216
  568    HA   THR  76           HA       THR  76   3.418   3.870  -5.831
  569    HB   THR  76           HB       THR  76   5.379   1.755  -4.896
  570    HG1  THR  76           HG1      THR  76   5.488   3.891  -6.699
  571   1HG2  THR  76          HG22      THR  76   3.594   1.999  -7.325
  572   2HG2  THR  76          HG21      THR  76   4.990   0.923  -7.281
  573   3HG2  THR  76          HG23      THR  76   3.650   0.678  -6.160
  574    H    PHE  77           HN       PHE  77   1.519   2.878  -5.782
  575    HA   PHE  77           HA       PHE  77   0.768   1.336  -3.327
  576   1HB   PHE  77           HB2      PHE  77  -0.982   2.750  -5.365
  577   2HB   PHE  77           HB1      PHE  77  -1.555   1.916  -3.915
  578    HD1  PHE  77           HD2      PHE  77   0.258   4.838  -5.213
  579    HD2  PHE  77           HD1      PHE  77  -1.182   2.850  -1.686
  580    HE1  PHE  77           HE2      PHE  77   0.687   6.893  -3.879
  581    HE2  PHE  77           HE1      PHE  77  -0.763   4.901  -0.354
  582    HZ   PHE  77           HZ       PHE  77   0.175   6.921  -1.450
  583    H    GLN  78           HN       GLN  78   0.273  -0.786  -3.560
  584    HA   GLN  78           HA       GLN  78  -0.148  -1.850  -6.336
  585   1HB   GLN  78           HB2      GLN  78   1.331  -3.064  -3.999
  586   2HB   GLN  78           HB1      GLN  78   0.805  -4.008  -5.393
  587   1HG   GLN  78           HG2      GLN  78   2.069  -2.478  -6.871
  588   2HG   GLN  78           HG1      GLN  78   2.658  -1.610  -5.454
  589   1HE2  GLN  78          HE22      GLN  78   5.419  -3.847  -5.656
  590   2HE2  GLN  78          HE21      GLN  78   4.896  -2.256  -5.926
  591    H    PHE  79           HN       PHE  79  -1.797  -3.258  -6.593
  592    HA   PHE  79           HA       PHE  79  -3.644  -3.547  -4.243
  593   1HB   PHE  79           HB2      PHE  79  -4.141  -3.528  -7.224
  594   2HB   PHE  79           HB1      PHE  79  -5.379  -3.891  -6.018
  595    HD1  PHE  79           HD2      PHE  79  -2.958  -1.292  -7.148
  596    HD2  PHE  79           HD1      PHE  79  -6.386  -2.167  -4.728
  597    HE1  PHE  79           HE2      PHE  79  -3.265   1.123  -6.707
  598    HE2  PHE  79           HE1      PHE  79  -6.696   0.245  -4.291
  599    HZ   PHE  79           HZ       PHE  79  -5.140   1.897  -5.282
  600    H    PHE  80           HN       PHE  80  -4.155  -5.494  -3.524
  601    HA   PHE  80           HA       PHE  80  -3.442  -7.894  -5.146
  602   1HB   PHE  80           HB2      PHE  80  -2.912  -7.349  -2.220
  603   2HB   PHE  80           HB1      PHE  80  -2.913  -8.979  -2.893
  604    HD1  PHE  80           HD1      PHE  80  -1.237  -9.677  -4.518
  605    HD2  PHE  80           HD2      PHE  80  -1.146  -5.735  -2.791
  606    HE1  PHE  80           HE1      PHE  80   1.093  -9.386  -5.307
  607    HE2  PHE  80           HE2      PHE  80   1.186  -5.452  -3.589
  608    HZ   PHE  80           HZ       PHE  80   2.303  -7.273  -4.847
  609    H    LYS  81           HN       LYS  81  -4.928  -9.583  -5.031
  610    HA   LYS  81           HA       LYS  81  -7.174  -9.382  -3.106
  611   1HB   LYS  81           HB2      LYS  81  -7.804  -8.126  -5.261
  612   2HB   LYS  81           HB1      LYS  81  -7.720  -9.685  -6.083
  613   1HG   LYS  81           HG2      LYS  81  -9.322 -10.507  -4.207
  614   2HG   LYS  81           HG1      LYS  81  -9.615  -8.799  -3.912
  615   1HD   LYS  81           HD2      LYS  81  -9.966 -10.153  -6.604
  616   2HD   LYS  81           HD1      LYS  81 -11.278  -9.822  -5.475
  617   1HE   LYS  81           HE2      LYS  81 -11.317  -7.996  -6.982
  618   2HE   LYS  81           HE1      LYS  81 -10.500  -7.370  -5.549
  619   1HZ   LYS  81           HZ2      LYS  81  -8.598  -8.572  -7.221
  620   2HZ   LYS  81           HZ1      LYS  81  -9.532  -7.511  -8.165
  621   3HZ   LYS  81           HZ3      LYS  81  -8.734  -6.936  -6.784
  622    H    LYS  82           HN       LYS  82  -7.471 -11.406  -2.333
  623    HA   LYS  82           HA       LYS  82  -7.276 -13.729  -2.106
  624   1HB   LYS  82           HB2      LYS  82  -7.571 -13.599  -5.131
  625   2HB   LYS  82           HB1      LYS  82  -7.598 -15.086  -4.193
  626   1HG   LYS  82           HG2      LYS  82  -9.487 -14.055  -2.837
  627   2HG   LYS  82           HG1      LYS  82  -9.558 -12.790  -4.059
  628   1HD   LYS  82           HD2      LYS  82  -9.791 -14.618  -5.795
  629   2HD   LYS  82           HD1      LYS  82  -9.997 -15.754  -4.465
  630   1HE   LYS  82           HE2      LYS  82 -11.948 -14.477  -3.666
  631   2HE   LYS  82           HE1      LYS  82 -11.733 -13.318  -4.975
  632   1HZ   LYS  82           HZ2      LYS  82 -11.770 -15.949  -6.001
  633   2HZ   LYS  82           HZ1      LYS  82 -13.151 -15.692  -5.045
  634   3HZ   LYS  82           HZ3      LYS  82 -12.816 -14.655  -6.345
  635    H    GLY  83           HN       GLY  83  -4.873 -12.018  -2.447
  636   1HA   GLY  83           HA2      GLY  83  -2.560 -12.496  -2.367
  637   2HA   GLY  83           HA1      GLY  83  -2.933 -14.168  -2.786
  638    H    GLN  84           HN       GLN  84  -4.434 -11.964  -4.887
  639    HA   GLN  84           HA       GLN  84  -2.347 -12.483  -6.971
  640   1HB   GLN  84           HB2      GLN  84  -5.275 -11.811  -7.385
  641   2HB   GLN  84           HB1      GLN  84  -4.121 -12.307  -8.618
  642   1HG   GLN  84           HG2      GLN  84  -5.043 -14.024  -6.292
  643   2HG   GLN  84           HG1      GLN  84  -5.578 -14.187  -7.962
  644   1HE2  GLN  84          HE22      GLN  84  -1.771 -15.374  -6.976
  645   2HE2  GLN  84          HE21      GLN  84  -2.579 -14.252  -5.993
  646    H    LYS  85           HN       LYS  85  -1.360 -10.753  -7.912
  647    HA   LYS  85           HA       LYS  85  -1.985  -8.038  -6.972
  648   1HB   LYS  85           HB2      LYS  85   0.351  -8.825  -7.454
  649   2HB   LYS  85           HB1      LYS  85  -0.082  -8.967  -9.157
  650   1HG   LYS  85           HG2      LYS  85  -0.609  -6.556  -9.229
  651   2HG   LYS  85           HG1      LYS  85  -0.175  -6.407  -7.525
  652   1HD   LYS  85           HD2      LYS  85   2.120  -7.182  -8.047
  653   2HD   LYS  85           HD1      LYS  85   1.682  -7.304  -9.751
  654   1HE   LYS  85           HE2      LYS  85   1.265  -4.915  -9.874
  655   2HE   LYS  85           HE1      LYS  85   1.517  -4.742  -8.138
  656   1HZ   LYS  85           HZ1      LYS  85   3.617  -5.843  -9.909
  657   2HZ   LYS  85           HZ3      LYS  85   3.449  -4.173  -9.662
  658   3HZ   LYS  85           HZ2      LYS  85   3.780  -5.196  -8.347
  659    H    VAL  86           HN       VAL  86  -3.548  -6.844  -7.906
  660    HA   VAL  86           HA       VAL  86  -4.230  -7.339 -10.782
  661    HB   VAL  86           HB       VAL  86  -6.563  -6.726 -10.159
  662   1HG1  VAL  86          HG13      VAL  86  -5.613  -9.123 -10.160
  663   2HG1  VAL  86          HG12      VAL  86  -5.583  -8.990  -8.402
  664   3HG1  VAL  86          HG11      VAL  86  -7.114  -8.869  -9.271
  665   1HG2  VAL  86          HG22      VAL  86  -5.984  -5.405  -8.137
  666   2HG2  VAL  86          HG21      VAL  86  -7.154  -6.671  -7.763
  667   3HG2  VAL  86          HG23      VAL  86  -5.458  -6.884  -7.335
  668    H    GLY  87           HN       GLY  87  -2.612  -5.135  -9.024
  669   1HA   GLY  87           HA2      GLY  87  -3.174  -3.024 -10.904
  670   2HA   GLY  87           HA1      GLY  87  -3.988  -2.684  -9.387
  671    H    GLU  88           HN       GLU  88  -1.845  -1.213 -10.677
  672    HA   GLU  88           HA       GLU  88  -0.124  -0.800  -8.383
  673   1HB   GLU  88           HB2      GLU  88   1.161  -2.614  -9.175
  674   2HB   GLU  88           HB1      GLU  88   0.918  -2.170 -10.856
  675   1HG   GLU  88           HG2      GLU  88   3.211  -1.668 -10.192
  676   2HG   GLU  88           HG1      GLU  88   2.373  -0.153 -10.484
  677    H    PHE  89           HN       PHE  89   0.698   1.251  -8.411
  678    HA   PHE  89           HA       PHE  89   1.070   2.739 -10.867
  679   1HB   PHE  89           HB2      PHE  89  -0.690   4.292 -10.789
  680   2HB   PHE  89           HB1      PHE  89  -1.481   2.761 -10.456
  681    HD1  PHE  89           HD1      PHE  89   0.015   5.743  -8.771
  682    HD2  PHE  89           HD2      PHE  89  -2.765   2.492  -8.495
  683    HE1  PHE  89           HE1      PHE  89  -0.899   6.710  -6.677
  684    HE2  PHE  89           HE2      PHE  89  -3.686   3.454  -6.396
  685    HZ   PHE  89           HZ       PHE  89  -2.759   5.569  -5.496
  686    H    SER  90           HN       SER  90   1.979   4.869 -10.457
  687    HA   SER  90           HA       SER  90   2.992   5.234  -7.656
  688   1HB   SER  90           HB2      SER  90   5.108   6.035  -8.609
  689   2HB   SER  90           HB1      SER  90   4.798   4.367  -9.090
  690    HG   SER  90           HG       SER  90   5.260   5.330 -10.972
  691    H    GLY  91           HN       GLY  91   3.615   7.435  -7.154
  692   1HA   GLY  91           HA2      GLY  91   3.632   9.810  -8.036
  693   2HA   GLY  91           HA1      GLY  91   2.047   9.465  -8.721
  694    H    ALA  92           HN       ALA  92   3.075  11.349  -6.512
  695    HA   ALA  92           HA       ALA  92   1.780  10.387  -4.089
  696   1HB   ALA  92           HB2      ALA  92   2.894  13.046  -4.986
  697   2HB   ALA  92           HB1      ALA  92   2.091  12.855  -3.428
  698   3HB   ALA  92           HB3      ALA  92   3.556  11.939  -3.786
  699    H    ASN  93           HN       ASN  93  -0.233   9.921  -5.646
  700    HA   ASN  93           HA       ASN  93  -2.058  12.303  -5.476
  701   1HB   ASN  93           HB2      ASN  93  -1.615  11.530  -7.820
  702   2HB   ASN  93           HB1      ASN  93  -2.315   9.968  -7.380
  703   1HD2  ASN  93          HD22      ASN  93  -4.767  13.086  -8.147
  704   2HD2  ASN  93          HD21      ASN  93  -3.085  13.203  -8.336
  705    H    LYS  94           HN       LYS  94  -3.044  11.915  -3.545
  706    HA   LYS  94           HA       LYS  94  -3.710   9.288  -2.570
  707   1HB   LYS  94           HB2      LYS  94  -5.118  10.602  -0.950
  708   2HB   LYS  94           HB1      LYS  94  -3.413  11.030  -0.984
  709   1HG   LYS  94           HG2      LYS  94  -5.049  12.596  -2.903
  710   2HG   LYS  94           HG1      LYS  94  -5.544  12.832  -1.236
  711   1HD   LYS  94           HD2      LYS  94  -3.092  13.275  -0.688
  712   2HD   LYS  94           HD1      LYS  94  -2.798  13.297  -2.433
  713   1HE   LYS  94           HE2      LYS  94  -4.444  15.103  -2.693
  714   2HE   LYS  94           HE1      LYS  94  -4.783  15.054  -0.963
  715   1HZ   LYS  94           HZ1      LYS  94  -2.121  15.637  -2.146
  716   2HZ   LYS  94           HZ3      LYS  94  -3.204  16.817  -1.589
  717   3HZ   LYS  94           HZ2      LYS  94  -2.535  15.699  -0.499
  718    H    GLU  95           HN       GLU  95  -5.592  11.733  -4.373
  719    HA   GLU  95           HA       GLU  95  -8.133  10.506  -4.038
  720   1HB   GLU  95           HB2      GLU  95  -7.072  12.105  -6.390
  721   2HB   GLU  95           HB1      GLU  95  -8.768  11.729  -6.099
  722   1HG   GLU  95           HG2      GLU  95  -7.023  13.221  -4.122
  723   2HG   GLU  95           HG1      GLU  95  -8.085  14.012  -5.289
  724    H    LYS  96           HN       LYS  96  -5.440   9.760  -6.121
  725    HA   LYS  96           HA       LYS  96  -6.743   8.137  -8.051
  726   1HB   LYS  96           HB2      LYS  96  -4.342   8.981  -8.024
  727   2HB   LYS  96           HB1      LYS  96  -3.976   7.664  -6.928
  728   1HG   LYS  96           HG2      LYS  96  -4.458   6.014  -8.557
  729   2HG   LYS  96           HG1      LYS  96  -5.310   7.164  -9.591
  730   1HD   LYS  96           HD2      LYS  96  -3.213   8.360 -10.036
  731   2HD   LYS  96           HD1      LYS  96  -2.340   7.261  -8.968
  732   1HE   LYS  96           HE2      LYS  96  -2.029   6.551 -11.288
  733   2HE   LYS  96           HE1      LYS  96  -3.012   5.355 -10.442
  734   1HZ   LYS  96           HZ1      LYS  96  -4.285   7.575 -11.903
  735   2HZ   LYS  96           HZ3      LYS  96  -3.771   6.190 -12.734
  736   3HZ   LYS  96           HZ2      LYS  96  -4.927   6.055 -11.496
  737    H    LEU  97           HN       LEU  97  -5.545   7.444  -4.803
  738    HA   LEU  97           HA       LEU  97  -5.768   4.611  -4.825
  739   1HB   LEU  97           HB2      LEU  97  -6.209   6.662  -2.636
  740   2HB   LEU  97           HB1      LEU  97  -6.280   4.934  -2.327
  741    HG   LEU  97           HG       LEU  97  -3.887   6.229  -3.620
  742   1HD1  LEU  97          HD12      LEU  97  -4.418   5.756  -0.677
  743   2HD1  LEU  97          HD11      LEU  97  -2.862   6.239  -1.353
  744   3HD1  LEU  97          HD13      LEU  97  -4.250   7.319  -1.466
  745   1HD2  LEU  97          HD22      LEU  97  -4.617   3.515  -3.158
  746   2HD2  LEU  97          HD21      LEU  97  -3.038   4.118  -3.636
  747   3HD2  LEU  97          HD23      LEU  97  -3.409   3.882  -1.932
  748    H    GLU  98           HN       GLU  98  -8.102   7.157  -4.203
  749    HA   GLU  98           HA       GLU  98 -10.264   5.483  -3.356
  750   1HB   GLU  98           HB2      GLU  98 -10.214   7.933  -3.044
  751   2HB   GLU  98           HB1      GLU  98 -10.391   8.155  -4.783
  752   1HG   GLU  98           HG2      GLU  98 -12.567   6.924  -4.682
  753   2HG   GLU  98           HG1      GLU  98 -12.393   6.826  -2.929
  754    H    ALA  99           HN       ALA  99  -9.376   6.624  -6.606
  755    HA   ALA  99           HA       ALA  99 -11.706   5.526  -7.864
  756   1HB   ALA  99           HB2      ALA  99 -10.075   7.282  -8.785
  757   2HB   ALA  99           HB1      ALA  99  -9.045   5.924  -9.234
  758   3HB   ALA  99           HB3      ALA  99 -10.662   6.071  -9.924
  759    H    THR 100           HN       THR 100  -8.419   4.174  -7.446
  760    HA   THR 100           HA       THR 100  -8.950   1.825  -9.001
  761    HB   THR 100           HB       THR 100  -6.995   2.052  -6.697
  762    HG1  THR 100           HG1      THR 100  -7.029   3.740  -8.455
  763   1HG2  THR 100          HG21      THR 100  -7.179   0.361  -9.201
  764   2HG2  THR 100          HG23      THR 100  -5.691   0.532  -8.275
  765   3HG2  THR 100          HG22      THR 100  -7.117  -0.193  -7.528
  766    H    ILE 101           HN       ILE 101  -9.290   2.522  -5.541
  767    HA   ILE 101           HA       ILE 101  -9.961  -0.128  -4.661
  768    HB   ILE 101           HB       ILE 101 -10.775   2.619  -3.649
  769   1HG1  ILE 101          HG12      ILE 101  -8.863   0.650  -2.372
  770   2HG1  ILE 101          HG11      ILE 101  -8.316   1.763  -3.624
  771   1HG2  ILE 101          HG21      ILE 101 -11.288  -0.143  -2.524
  772   2HG2  ILE 101          HG23      ILE 101 -11.262   1.294  -1.501
  773   3HG2  ILE 101          HG22      ILE 101 -12.447   1.159  -2.799
  774   1HD1  ILE 101          HD11      ILE 101  -9.134   3.672  -2.288
  775   2HD1  ILE 101          HD13      ILE 101  -9.660   2.558  -1.026
  776   3HD1  ILE 101          HD12      ILE 101  -7.944   2.726  -1.395
  777    H    ASN 102           HN       ASN 102 -11.990   2.604  -5.685
  778    HA   ASN 102           HA       ASN 102 -14.508   1.276  -5.539
  779   1HB   ASN 102           HB2      ASN 102 -14.242   3.735  -5.843
  780   2HB   ASN 102           HB1      ASN 102 -13.625   3.446  -7.472
  781   1HD2  ASN 102          HD22      ASN 102 -17.586   3.580  -6.906
  782   2HD2  ASN 102          HD21      ASN 102 -16.459   4.088  -5.743
  783    H    GLU 103           HN       GLU 103 -12.021   1.429  -7.991
  784    HA   GLU 103           HA       GLU 103 -13.502   0.225 -10.116
  785   1HB   GLU 103           HB2      GLU 103 -11.312   1.544 -10.235
  786   2HB   GLU 103           HB1      GLU 103 -10.509   0.078  -9.683
  787   1HG   GLU 103           HG2      GLU 103 -12.306   0.126 -12.118
  788   2HG   GLU 103           HG1      GLU 103 -10.564   0.390 -12.206
  789    H    LEU 104           HN       LEU 104 -11.403  -1.132  -7.585
  790    HA   LEU 104           HA       LEU 104 -11.964  -3.884  -8.574
  791   1HB   LEU 104           HB2      LEU 104 -10.065  -2.845  -6.471
  792   2HB   LEU 104           HB1      LEU 104 -10.224  -4.541  -6.906
  793    HG   LEU 104           HG       LEU 104  -9.485  -2.338  -8.859
  794   1HD1  LEU 104          HD11      LEU 104  -7.793  -4.231  -7.223
  795   2HD1  LEU 104          HD13      LEU 104  -7.188  -3.447  -8.682
  796   3HD1  LEU 104          HD12      LEU 104  -7.690  -2.473  -7.298
  797   1HD2  LEU 104          HD23      LEU 104  -9.732  -5.346  -9.022
  798   2HD2  LEU 104          HD22      LEU 104 -10.304  -4.125 -10.158
  799   3HD2  LEU 104          HD21      LEU 104  -8.588  -4.505 -10.068
  800    H    VAL 105           HN       VAL 105 -13.397  -1.759  -6.396
  801    HA   VAL 105           HA       VAL 105 -13.774  -3.497  -4.138
  802    HB   VAL 105           HB       VAL 105 -14.284  -0.976  -4.248
  803   1HG1  VAL 105          HG13      VAL 105 -15.851  -1.434  -6.325
  804   2HG1  VAL 105          HG12      VAL 105 -17.059  -1.788  -5.092
  805   3HG1  VAL 105          HG11      VAL 105 -16.295  -0.199  -5.149
  806   1HG2  VAL 105          HG21      VAL 105 -16.256  -2.942  -3.052
  807   2HG2  VAL 105          HG23      VAL 105 -14.828  -2.262  -2.273
  808   3HG2  VAL 105          HG22      VAL 105 -16.211  -1.229  -2.636
  809    HA   PRO  59           HA       PRO 106  14.464  16.759 -13.351
  810   1HB   PRO  59           HB2      PRO 106  16.995  16.679 -11.732
  811   2HB   PRO  59           HB1      PRO 106  16.693  16.088 -13.380
  812   1HG   PRO  59           HG2      PRO 106  18.015  18.349 -12.978
  813   2HG   PRO  59           HG1      PRO 106  16.848  18.205 -14.306
  814   1HD   PRO  59           HD2      PRO 106  16.557  19.645 -11.693
  815   2HD   PRO  59           HD1      PRO 106  15.899  20.065 -13.291
  816    H    ALA  60           HN       ALA 107  14.991  17.746  -9.991
  817    HA   ALA  60           HA       ALA 107  14.178  15.056  -9.006
  818   1HB   ALA  60           HB1      ALA 107  15.115  17.566  -7.586
  819   2HB   ALA  60           HB3      ALA 107  14.592  16.108  -6.745
  820   3HB   ALA  60           HB2      ALA 107  16.012  16.061  -7.791
  821    H    THR  61           HN       THR 108  12.056  14.660  -8.574
  822    HA   THR  61           HA       THR 108  10.198  17.006  -8.330
  823    HB   THR  61           HB       THR 108   9.474  14.116  -8.881
  824    HG1  THR  61           HG1      THR 108   9.309  15.845 -10.962
  825   1HG2  THR  61          HG22      THR 108   7.697  15.641  -8.049
  826   2HG2  THR  61          HG21      THR 108   8.031  16.732  -9.391
  827   3HG2  THR  61          HG23      THR 108   7.400  15.116  -9.704
  828    H    LEU  62           HN       LEU 109   9.225  17.350  -6.398
  829    HA   LEU  62           HA       LEU 109   9.860  15.762  -4.081
  830   1HB   LEU  62           HB2      LEU 109   7.849  17.964  -4.591
  831   2HB   LEU  62           HB1      LEU 109   8.027  17.201  -3.015
  832    HG   LEU  62           HG       LEU 109  10.327  18.496  -4.517
  833   1HD1  LEU  62          HD13      LEU 109   8.508  19.627  -2.368
  834   2HD1  LEU  62          HD12      LEU 109  10.021  20.374  -2.881
  835   3HD1  LEU  62          HD11      LEU 109   8.684  20.217  -4.021
  836   1HD2  LEU  62          HD23      LEU 109   9.969  17.298  -1.765
  837   2HD2  LEU  62          HD22      LEU 109  11.295  17.077  -2.906
  838   3HD2  LEU  62          HD21      LEU 109  11.150  18.582  -2.011
  839    H    LYS  63           HN       LYS 110   7.231  15.769  -6.376
  840    HA   LYS  63           HA       LYS 110   5.292  14.306  -4.887
  841   1HB   LYS  63           HB2      LYS 110   5.830  14.246  -7.873
  842   2HB   LYS  63           HB1      LYS 110   4.348  13.713  -7.088
  843   1HG   LYS  63           HG2      LYS 110   5.448  16.539  -7.112
  844   2HG   LYS  63           HG1      LYS 110   4.034  15.957  -7.987
  845   1HD   LYS  63           HD2      LYS 110   3.151  15.277  -5.621
  846   2HD   LYS  63           HD1      LYS 110   4.371  16.402  -5.024
  847   1HE   LYS  63           HE2      LYS 110   2.230  17.105  -7.049
  848   2HE   LYS  63           HE1      LYS 110   2.158  17.493  -5.331
  849   1HZ   LYS  63           HZ2      LYS 110   4.248  18.724  -5.590
  850   2HZ   LYS  63           HZ1      LYS 110   4.217  18.414  -7.260
  851   3HZ   LYS  63           HZ3      LYS 110   3.004  19.364  -6.554
  852    H    ILE  64           HN       ILE 111   8.272  13.285  -6.314
  853    HA   ILE  64           HA       ILE 111   7.624  10.426  -5.629
  854    HB   ILE  64           HB       ILE 111   9.086  11.487  -8.078
  855   1HG1  ILE  64          HG12      ILE 111   6.652  11.431  -8.331
  856   2HG1  ILE  64          HG11      ILE 111   7.390  10.177  -9.315
  857   1HG2  ILE  64          HG23      ILE 111   8.952   8.702  -6.913
  858   2HG2  ILE  64          HG22      ILE 111   9.284   8.981  -8.622
  859   3HG2  ILE  64          HG21      ILE 111  10.380   9.620  -7.396
  860   1HD1  ILE  64          HD11      ILE 111   6.952   8.731  -7.071
  861   2HD1  ILE  64          HD13      ILE 111   5.666   9.922  -6.898
  862   3HD1  ILE  64          HD12      ILE 111   5.744   8.904  -8.335
  863    H    CYS  65           HN       CYS 112   9.360   9.326  -4.600
  864    HA   CYS  65           HA       CYS 112  11.772  10.998  -3.984
  865   1HB   CYS  65           HB2      CYS 112  11.113   8.422  -2.549
  866   2HB   CYS  65           HB1      CYS 112  12.065   9.789  -1.983
  867    H    SER  66           HN       SER 113  13.642  10.392  -5.026
  868    HA   SER  66           HA       SER 113  13.569   8.067  -6.795
  869   1HB   SER  66           HB2      SER 113  15.803  10.011  -6.147
  870   2HB   SER  66           HB1      SER 113  15.881   8.776  -7.401
  871    HG   SER  66           HG       SER 113  15.030  10.327  -8.557
  872    H    TRP  67           HN       TRP 114  14.751   6.164  -6.621
  873    HA   TRP  67           HA       TRP 114  15.504   5.309  -3.939
  874   1HB   TRP  67           HB2      TRP 114  15.701   3.965  -6.654
  875   2HB   TRP  67           HB1      TRP 114  16.194   3.187  -5.147
  876    HD1  TRP  67           HD1      TRP 114  13.112   5.182  -6.321
  877    HE1  TRP  67           HE1      TRP 114  10.998   4.006  -5.445
  878    HE3  TRP  67           HE3      TRP 114  15.224   1.255  -3.857
  879    HZ2  TRP  67           HZ2      TRP 114  10.317   1.733  -3.875
  880    HZ3  TRP  67           HZ3      TRP 114  13.825  -0.401  -2.683
  881    HH2  TRP  67           HH2      TRP 114  11.366  -0.166  -2.704
  882    H    ASN  68           HN       ASN 115  17.060   6.990  -6.422
  883    HA   ASN  68           HA       ASN 115  19.694   6.011  -6.435
  884   1HB   ASN  68           HB2      ASN 115  18.689   8.878  -6.508
  885   2HB   ASN  68           HB1      ASN 115  20.371   8.423  -6.806
  886   1HD2  ASN  68          HD22      ASN 115  18.116   6.431  -9.507
  887   2HD2  ASN  68          HD21      ASN 115  18.067   6.060  -7.852
  888    H    VAL  69           HN       VAL 116  17.892   7.188  -3.816
  889    HA   VAL  69           HA       VAL 116  19.985   8.353  -2.227
  890    HB   VAL  69           HB       VAL 116  18.459   7.755  -0.294
  891   1HG1  VAL  69          HG13      VAL 116  18.274   9.880  -1.562
  892   2HG1  VAL  69          HG12      VAL 116  17.148   9.100  -2.675
  893   3HG1  VAL  69          HG11      VAL 116  16.706   9.319  -0.981
  894   1HG2  VAL  69          HG23      VAL 116  17.531   5.693  -1.347
  895   2HG2  VAL  69          HG22      VAL 116  16.262   6.806  -0.840
  896   3HG2  VAL  69          HG21      VAL 116  16.710   6.698  -2.539
  897    H    ASP  70           HN       ASP 117  21.417   7.357  -0.774
  898    HA   ASP  70           HA       ASP 117  22.300   4.721  -1.364
  899   1HB   ASP  70           HB2      ASP 117  22.712   6.472   1.076
  900   2HB   ASP  70           HB1      ASP 117  23.534   4.927   0.848
  901    H    GLY  71           HN       GLY 118  20.135   5.943   1.175
  902   1HA   GLY  71           HA2      GLY 118  18.763   3.409   1.371
  903   2HA   GLY  71           HA1      GLY 118  19.837   3.652   2.748
   
  No H/Q in entry =         903
  Start of MODEL   31
    1   1H    MET   1           HT1      MET   1  -8.816  -1.551   8.332
    2   2H    MET   1           HT3      MET   1  -8.928  -3.037   9.144
    3   3H    MET   1           HT2      MET   1  -9.840  -1.705   9.678
    4    HA   MET   1           HA       MET   1  -8.050  -0.650  10.618
    5   1HB   MET   1           HB2      MET   1  -7.490  -3.624  10.777
    6   2HB   MET   1           HB1      MET   1  -6.782  -2.414  11.847
    7   1HG   MET   1           HG2      MET   1  -9.763  -2.794  11.489
    8   2HG   MET   1           HG1      MET   1  -8.831  -3.547  12.785
    9   1HE   MET   1           HE1      MET   1 -11.235  -1.999  13.259
   10   2HE   MET   1           HE3      MET   1 -10.291  -2.342  14.717
   11   3HE   MET   1           HE2      MET   1 -10.918  -0.721  14.431
   12    H    VAL   2           HN       VAL   2  -5.653  -0.407  10.783
   13    HA   VAL   2           HA       VAL   2  -4.386  -0.762   8.100
   14    HB   VAL   2           HB       VAL   2  -3.665   0.969  10.486
   15   1HG1  VAL   2          HG11      VAL   2  -2.265   0.484   7.845
   16   2HG1  VAL   2          HG13      VAL   2  -2.011   1.954   8.784
   17   3HG1  VAL   2          HG12      VAL   2  -1.581   0.386   9.466
   18   1HG2  VAL   2          HG23      VAL   2  -5.632   1.617   9.043
   19   2HG2  VAL   2          HG22      VAL   2  -4.316   2.787   9.030
   20   3HG2  VAL   2          HG21      VAL   2  -4.526   1.690   7.671
   21    H    LYS   3           HN       LYS   3  -2.496  -1.983   7.853
   22    HA   LYS   3           HA       LYS   3  -1.345  -3.284  10.298
   23   1HB   LYS   3           HB2      LYS   3  -2.859  -4.829   9.002
   24   2HB   LYS   3           HB1      LYS   3  -1.818  -4.601   7.602
   25   1HG   LYS   3           HG2      LYS   3  -1.064  -6.622   8.594
   26   2HG   LYS   3           HG1      LYS   3   0.113  -5.415   9.090
   27   1HD   LYS   3           HD2      LYS   3  -0.788  -5.284  11.292
   28   2HD   LYS   3           HD1      LYS   3  -2.265  -6.122  10.821
   29   1HE   LYS   3           HE2      LYS   3  -0.804  -7.656  12.040
   30   2HE   LYS   3           HE1      LYS   3  -0.910  -8.161  10.352
   31   1HZ   LYS   3           HZ3      LYS   3   1.172  -6.274  10.723
   32   2HZ   LYS   3           HZ2      LYS   3   1.378  -7.601  11.766
   33   3HZ   LYS   3           HZ1      LYS   3   1.250  -7.845  10.090
   34    H    GLN   4           HN       GLN   4   0.832  -3.073  10.394
   35    HA   GLN   4           HA       GLN   4   2.271  -1.938   8.043
   36   1HB   GLN   4           HB2      GLN   4   2.541  -0.813  10.238
   37   2HB   GLN   4           HB1      GLN   4   3.159  -2.317  10.923
   38   1HG   GLN   4           HG2      GLN   4   5.054  -2.284   9.366
   39   2HG   GLN   4           HG1      GLN   4   4.419  -0.831   8.595
   40   1HE2  GLN   4          HE22      GLN   4   6.501   0.978  10.819
   41   2HE2  GLN   4          HE21      GLN   4   6.185   0.559   9.203
   42    H    ILE   5           HN       ILE   5   3.436  -3.318   6.790
   43    HA   ILE   5           HA       ILE   5   4.155  -6.019   7.862
   44    HB   ILE   5           HB       ILE   5   4.378  -4.990   5.027
   45   1HG1  ILE   5          HG12      ILE   5   2.054  -4.802   5.671
   46   2HG1  ILE   5          HG11      ILE   5   2.240  -6.235   4.661
   47   1HG2  ILE   5          HG21      ILE   5   4.350  -7.744   6.267
   48   2HG2  ILE   5          HG23      ILE   5   4.258  -7.432   4.545
   49   3HG2  ILE   5          HG22      ILE   5   5.700  -6.967   5.439
   50   1HD1  ILE   5          HD11      ILE   5   2.533  -7.529   6.894
   51   2HD1  ILE   5          HD13      ILE   5   1.847  -6.091   7.648
   52   3HD1  ILE   5          HD12      ILE   5   0.911  -6.994   6.461
   53    H    GLU   6           HN       GLU   6   6.178  -6.095   8.717
   54    HA   GLU   6           HA       GLU   6   8.251  -4.223   7.675
   55   1HB   GLU   6           HB2      GLU   6   8.299  -6.066  10.090
   56   2HB   GLU   6           HB1      GLU   6   9.545  -4.892   9.661
   57   1HG   GLU   6           HG2      GLU   6   6.670  -4.079  10.122
   58   2HG   GLU   6           HG1      GLU   6   7.847  -4.146  11.430
   59    H    SER   7           HN       SER   7   7.158  -7.301   6.963
   60    HA   SER   7           HA       SER   7   9.754  -7.976   5.718
   61   1HB   SER   7           HB2      SER   7   9.831 -10.222   6.746
   62   2HB   SER   7           HB1      SER   7   9.978  -8.943   7.952
   63    HG   SER   7           HG       SER   7   8.405 -10.782   8.276
   64    H    LYS   8           HN       LYS   8   9.612  -9.674   4.124
   65    HA   LYS   8           HA       LYS   8   7.158  -9.750   2.636
   66   1HB   LYS   8           HB2      LYS   8   9.521 -10.223   1.767
   67   2HB   LYS   8           HB1      LYS   8   9.366 -11.817   2.512
   68   1HG   LYS   8           HG2      LYS   8   7.140 -11.989   1.187
   69   2HG   LYS   8           HG1      LYS   8   7.769 -10.636   0.245
   70   1HD   LYS   8           HD2      LYS   8   9.105 -13.334   0.632
   71   2HD   LYS   8           HD1      LYS   8   8.378 -12.730  -0.859
   72   1HE   LYS   8           HE2      LYS   8  10.029 -10.752  -0.636
   73   2HE   LYS   8           HE1      LYS   8  10.870 -11.762   0.541
   74   1HZ   LYS   8           HZ1      LYS   8  10.170 -13.031  -1.984
   75   2HZ   LYS   8           HZ3      LYS   8  11.369 -11.831  -2.064
   76   3HZ   LYS   8           HZ2      LYS   8  11.578 -13.175  -1.046
   77    H    THR   9           HN       THR   9   8.563 -11.800   5.121
   78    HA   THR   9           HA       THR   9   6.885 -14.060   4.836
   79    HB   THR   9           HB       THR   9   7.943 -12.861   7.406
   80    HG1  THR   9           HG1      THR   9   9.199 -14.994   6.194
   81   1HG2  THR   9          HG21      THR   9   6.990 -15.641   6.673
   82   2HG2  THR   9          HG23      THR   9   7.880 -15.265   8.150
   83   3HG2  THR   9          HG22      THR   9   6.288 -14.556   7.875
   84    H    ALA  10           HN       ALA  10   6.403 -11.124   6.794
   85    HA   ALA  10           HA       ALA  10   3.763 -11.931   7.656
   86   1HB   ALA  10           HB1      ALA  10   5.276  -9.319   7.674
   87   2HB   ALA  10           HB3      ALA  10   3.573  -9.373   8.135
   88   3HB   ALA  10           HB2      ALA  10   4.766 -10.300   9.045
   89    H    PHE  11           HN       PHE  11   5.060 -10.220   4.876
   90    HA   PHE  11           HA       PHE  11   2.666  -9.010   3.914
   91   1HB   PHE  11           HB2      PHE  11   5.042  -8.764   2.963
   92   2HB   PHE  11           HB1      PHE  11   4.804 -10.317   2.192
   93    HD1  PHE  11           HD1      PHE  11   2.969  -7.071   2.607
   94    HD2  PHE  11           HD2      PHE  11   4.014 -10.309  -0.012
   95    HE1  PHE  11           HE1      PHE  11   1.790  -5.944   0.741
   96    HE2  PHE  11           HE2      PHE  11   2.829  -9.182  -1.877
   97    HZ   PHE  11           HZ       PHE  11   1.716  -7.003  -1.499
   98    H    GLN  12           HN       GLN  12   4.040 -12.224   3.399
   99    HA   GLN  12           HA       GLN  12   2.007 -13.195   1.633
  100   1HB   GLN  12           HB2      GLN  12   3.809 -14.638   3.611
  101   2HB   GLN  12           HB1      GLN  12   2.869 -15.439   2.353
  102   1HG   GLN  12           HG2      GLN  12   4.955 -13.297   1.840
  103   2HG   GLN  12           HG1      GLN  12   5.245 -15.026   1.679
  104   1HE2  GLN  12          HE22      GLN  12   3.113 -15.301  -1.264
  105   2HE2  GLN  12          HE21      GLN  12   3.528 -16.165   0.137
  106    H    GLU  13           HN       GLU  13   2.388 -13.337   5.164
  107    HA   GLU  13           HA       GLU  13   0.019 -14.871   5.679
  108   1HB   GLU  13           HB2      GLU  13   1.762 -13.049   7.330
  109   2HB   GLU  13           HB1      GLU  13   0.273 -13.679   8.012
  110   1HG   GLU  13           HG2      GLU  13   2.119 -15.171   8.586
  111   2HG   GLU  13           HG1      GLU  13   1.035 -15.991   7.466
  112    H    ALA  14           HN       ALA  14   0.576 -11.389   5.440
  113    HA   ALA  14           HA       ALA  14  -2.040 -10.620   6.313
  114   1HB   ALA  14           HB3      ALA  14   0.001  -9.122   6.092
  115   2HB   ALA  14           HB2      ALA  14  -0.287  -9.117   4.354
  116   3HB   ALA  14           HB1      ALA  14  -1.495  -8.444   5.447
  117    H    LEU  15           HN       LEU  15  -0.689 -11.350   3.091
  118    HA   LEU  15           HA       LEU  15  -3.038 -10.660   1.619
  119   1HB   LEU  15           HB2      LEU  15  -0.885 -12.718   1.063
  120   2HB   LEU  15           HB1      LEU  15  -2.149 -12.288  -0.082
  121    HG   LEU  15           HG       LEU  15  -0.349 -10.202   1.148
  122   1HD1  LEU  15          HD12      LEU  15   0.152 -11.988  -1.232
  123   2HD1  LEU  15          HD11      LEU  15   0.865 -10.378  -1.141
  124   3HD1  LEU  15          HD13      LEU  15   1.244 -11.579   0.091
  125   1HD2  LEU  15          HD22      LEU  15  -2.248 -10.314  -1.198
  126   2HD2  LEU  15          HD21      LEU  15  -2.155  -9.128   0.098
  127   3HD2  LEU  15          HD23      LEU  15  -0.939  -9.136  -1.172
  128    H    ASP  16           HN       ASP  16  -2.005 -13.656   3.218
  129    HA   ASP  16           HA       ASP  16  -4.250 -15.216   2.321
  130   1HB   ASP  16           HB2      ASP  16  -2.008 -16.064   3.252
  131   2HB   ASP  16           HB1      ASP  16  -2.680 -15.735   4.853
  132    H    ALA  17           HN       ALA  17  -3.675 -13.166   5.139
  133    HA   ALA  17           HA       ALA  17  -6.026 -13.966   6.609
  134   1HB   ALA  17           HB3      ALA  17  -4.329 -11.459   6.696
  135   2HB   ALA  17           HB2      ALA  17  -5.628 -11.798   7.841
  136   3HB   ALA  17           HB1      ALA  17  -4.217 -12.856   7.766
  137    H    ALA  18           HN       ALA  18  -5.394 -11.453   4.212
  138    HA   ALA  18           HA       ALA  18  -7.842 -10.015   4.475
  139   1HB   ALA  18           HB3      ALA  18  -5.942 -10.475   2.174
  140   2HB   ALA  18           HB2      ALA  18  -7.385  -9.478   1.992
  141   3HB   ALA  18           HB1      ALA  18  -6.137  -9.021   3.153
  142    H    GLY  19           HN       GLY  19  -6.973 -12.911   2.678
  143   1HA   GLY  19           HA2      GLY  19  -8.309 -14.563   1.711
  144   2HA   GLY  19           HA1      GLY  19  -9.679 -13.882   2.593
  145    H    ASP  20           HN       ASP  20 -11.266 -13.287   1.187
  146    HA   ASP  20           HA       ASP  20 -10.570 -12.577  -1.594
  147   1HB   ASP  20           HB2      ASP  20 -13.261 -12.852  -0.223
  148   2HB   ASP  20           HB1      ASP  20 -13.001 -12.640  -1.957
  149    H    LYS  21           HN       LYS  21 -10.669 -10.826   1.206
  150    HA   LYS  21           HA       LYS  21 -12.231  -8.528   0.341
  151   1HB   LYS  21           HB2      LYS  21 -10.084  -8.798   2.467
  152   2HB   LYS  21           HB1      LYS  21 -11.077  -7.362   2.228
  153   1HG   LYS  21           HG2      LYS  21 -13.095  -9.004   2.481
  154   2HG   LYS  21           HG1      LYS  21 -11.911 -10.091   3.207
  155   1HD   LYS  21           HD2      LYS  21 -11.259  -8.080   4.701
  156   2HD   LYS  21           HD1      LYS  21 -12.779  -7.361   4.162
  157   1HE   LYS  21           HE2      LYS  21 -13.985  -9.392   4.958
  158   2HE   LYS  21           HE1      LYS  21 -12.458 -10.020   5.578
  159   1HZ   LYS  21           HZ2      LYS  21 -12.394  -7.682   6.721
  160   2HZ   LYS  21           HZ1      LYS  21 -14.083  -7.788   6.543
  161   3HZ   LYS  21           HZ3      LYS  21 -13.247  -8.976   7.420
  162    H    LEU  22           HN       LEU  22 -11.380  -6.493  -0.450
  163    HA   LEU  22           HA       LEU  22  -9.211  -6.683  -2.290
  164   1HB   LEU  22           HB2      LEU  22 -11.214  -4.840  -1.787
  165   2HB   LEU  22           HB1      LEU  22  -9.798  -3.976  -1.220
  166    HG   LEU  22           HG       LEU  22 -10.256  -5.094  -3.985
  167   1HD1  LEU  22          HD12      LEU  22 -10.595  -2.444  -2.739
  168   2HD1  LEU  22          HD11      LEU  22  -9.570  -2.383  -4.167
  169   3HD1  LEU  22          HD13      LEU  22 -11.193  -3.051  -4.275
  170   1HD2  LEU  22          HD23      LEU  22  -7.757  -3.973  -2.703
  171   2HD2  LEU  22          HD22      LEU  22  -7.929  -5.428  -3.688
  172   3HD2  LEU  22          HD21      LEU  22  -8.025  -3.844  -4.441
  173    H    VAL  23           HN       VAL  23  -7.066  -5.628  -2.077
  174    HA   VAL  23           HA       VAL  23  -6.195  -5.048   0.704
  175    HB   VAL  23           HB       VAL  23  -4.924  -7.101  -1.133
  176   1HG1  VAL  23          HG13      VAL  23  -3.979  -5.757   1.402
  177   2HG1  VAL  23          HG12      VAL  23  -3.414  -7.370   0.969
  178   3HG1  VAL  23          HG11      VAL  23  -3.102  -6.009  -0.109
  179   1HG2  VAL  23          HG22      VAL  23  -6.346  -7.267   1.531
  180   2HG2  VAL  23          HG21      VAL  23  -6.772  -8.084   0.029
  181   3HG2  VAL  23          HG23      VAL  23  -5.323  -8.560   0.909
  182    H    VAL  24           HN       VAL  24  -5.363  -3.038   0.473
  183    HA   VAL  24           HA       VAL  24  -3.883  -2.383  -2.040
  184    HB   VAL  24           HB       VAL  24  -4.869  -0.503   0.140
  185   1HG1  VAL  24          HG11      VAL  24  -2.952   0.274  -1.311
  186   2HG1  VAL  24          HG13      VAL  24  -4.006   0.072  -2.712
  187   3HG1  VAL  24          HG12      VAL  24  -4.412   1.251  -1.467
  188   1HG2  VAL  24          HG23      VAL  24  -6.118  -1.450  -2.443
  189   2HG2  VAL  24          HG22      VAL  24  -6.830  -1.424  -0.833
  190   3HG2  VAL  24          HG21      VAL  24  -6.568   0.086  -1.706
  191    H    VAL  25           HN       VAL  25  -1.703  -1.864  -1.938
  192    HA   VAL  25           HA       VAL  25  -0.406  -1.945   0.775
  193    HB   VAL  25           HB       VAL  25   0.742  -2.946  -1.851
  194   1HG1  VAL  25          HG13      VAL  25   1.692  -3.158   1.014
  195   2HG1  VAL  25          HG12      VAL  25   2.473  -3.923  -0.371
  196   3HG1  VAL  25          HG11      VAL  25   2.427  -2.164  -0.244
  197   1HG2  VAL  25          HG21      VAL  25  -1.192  -4.299  -0.950
  198   2HG2  VAL  25          HG23      VAL  25   0.331  -5.182  -1.020
  199   3HG2  VAL  25          HG22      VAL  25  -0.253  -4.552   0.520
  200    H    ASP  26           HN       ASP  26   0.473  -0.039   1.254
  201    HA   ASP  26           HA       ASP  26   1.185   1.845  -0.952
  202   1HB   ASP  26           HB2      ASP  26  -0.270   2.710   0.826
  203   2HB   ASP  26           HB1      ASP  26   0.944   2.293   2.036
  204    H    PHE  27           HN       PHE  27   3.268   1.550  -1.623
  205    HA   PHE  27           HA       PHE  27   5.380   0.825   0.357
  206   1HB   PHE  27           HB2      PHE  27   5.393   1.222  -2.664
  207   2HB   PHE  27           HB1      PHE  27   6.860   0.940  -1.724
  208    HD1  PHE  27           HD1      PHE  27   7.230  -1.202  -0.578
  209    HD2  PHE  27           HD2      PHE  27   3.785  -0.551  -3.060
  210    HE1  PHE  27           HE1      PHE  27   6.823  -3.648  -0.654
  211    HE2  PHE  27           HE2      PHE  27   3.381  -2.995  -3.133
  212    HZ   PHE  27           HZ       PHE  27   4.896  -4.542  -1.932
  213    H    SER  28           HN       SER  28   5.791   2.652   1.568
  214    HA   SER  28           HA       SER  28   6.563   5.137   0.056
  215   1HB   SER  28           HB2      SER  28   5.106   4.978   2.712
  216   2HB   SER  28           HB1      SER  28   5.660   6.452   1.930
  217    HG   SER  28           HG       SER  28   4.040   4.662   0.498
  218    H    ALA  29           HN       ALA  29   8.381   6.213   0.898
  219    HA   ALA  29           HA       ALA  29  10.078   4.546   2.643
  220   1HB   ALA  29           HB2      ALA  29  10.484   7.018   0.976
  221   2HB   ALA  29           HB1      ALA  29  11.651   6.639   2.242
  222   3HB   ALA  29           HB3      ALA  29  11.367   5.498   0.925
  223    H    THR  30           HN       THR  30  10.044   4.818   4.804
  224    HA   THR  30           HA       THR  30   8.462   6.875   6.027
  225    HB   THR  30           HB       THR  30   8.947   4.731   7.155
  226    HG1  THR  30           HG1      THR  30   8.455   6.426   8.501
  227   1HG2  THR  30          HG21      THR  30  11.343   4.661   6.273
  228   2HG2  THR  30          HG23      THR  30  11.749   5.769   7.583
  229   3HG2  THR  30          HG22      THR  30  11.113   4.168   7.952
  230    H    TRP  31           HN       TRP  31  11.895   6.577   5.242
  231    HA   TRP  31           HA       TRP  31  12.725   8.936   6.733
  232   1HB   TRP  31           HB2      TRP  31  14.806   8.771   5.473
  233   2HB   TRP  31           HB1      TRP  31  14.299   7.164   5.992
  234    HD1  TRP  31           HD1      TRP  31  13.871   5.418   4.234
  235    HE1  TRP  31           HE1      TRP  31  13.943   5.331   1.663
  236    HE3  TRP  31           HE3      TRP  31  14.265  10.405   3.202
  237    HZ2  TRP  31           HZ2      TRP  31  14.108   7.135  -0.536
  238    HZ3  TRP  31           HZ3      TRP  31  14.355  11.191   0.856
  239    HH2  TRP  31           HH2      TRP  31  14.280   9.564  -1.013
  240    H    CYS  32           HN       CYS  32  11.236   8.477   3.611
  241    HA   CYS  32           HA       CYS  32  11.988  11.162   2.652
  242   1HB   CYS  32           HB2      CYS  32  11.562   9.042   1.196
  243   2HB   CYS  32           HB1      CYS  32   9.858   9.375   1.445
  244    H    GLY  33           HN       GLY  33  11.017  12.847   3.579
  245   1HA   GLY  33           HA2      GLY  33   8.710  12.731   5.203
  246   2HA   GLY  33           HA1      GLY  33   9.368  14.208   4.508
  247    HA   PRO  34           HA       PRO  34   6.285  14.585   1.342
  248   1HB   PRO  34           HB2      PRO  34   7.760  13.084  -0.772
  249   2HB   PRO  34           HB1      PRO  34   7.139  14.741  -0.796
  250   1HG   PRO  34           HG2      PRO  34   9.790  14.188  -0.561
  251   2HG   PRO  34           HG1      PRO  34   9.049  15.617   0.177
  252   1HD   PRO  34           HD2      PRO  34  10.028  13.129   1.481
  253   2HD   PRO  34           HD1      PRO  34   9.854  14.761   2.171
  254    H    ALA  35           HN       ALA  35   7.687  11.311   1.322
  255    HA   ALA  35           HA       ALA  35   5.275  10.053   0.289
  256   1HB   ALA  35           HB1      ALA  35   7.777   9.236   0.257
  257   2HB   ALA  35           HB3      ALA  35   7.373   8.551   1.830
  258   3HB   ALA  35           HB2      ALA  35   6.476   8.058   0.393
  259    H    LYS  36           HN       LYS  36   6.852   9.976   3.501
  260    HA   LYS  36           HA       LYS  36   4.708   8.632   4.799
  261   1HB   LYS  36           HB2      LYS  36   7.025   8.995   5.741
  262   2HB   LYS  36           HB1      LYS  36   6.550  10.659   6.091
  263   1HG   LYS  36           HG2      LYS  36   4.582   9.732   7.380
  264   2HG   LYS  36           HG1      LYS  36   5.282   8.130   7.174
  265   1HD   LYS  36           HD2      LYS  36   7.346   8.887   8.313
  266   2HD   LYS  36           HD1      LYS  36   6.625  10.483   8.541
  267   1HE   LYS  36           HE2      LYS  36   5.466   7.891   9.604
  268   2HE   LYS  36           HE1      LYS  36   6.379   9.055  10.564
  269   1HZ   LYS  36           HZ3      LYS  36   3.871   9.657   9.096
  270   2HZ   LYS  36           HZ2      LYS  36   3.967   9.345  10.763
  271   3HZ   LYS  36           HZ1      LYS  36   4.721  10.720  10.107
  272    H    MET  37           HN       MET  37   5.272  12.063   4.182
  273    HA   MET  37           HA       MET  37   3.199  13.113   5.812
  274   1HB   MET  37           HB2      MET  37   4.985  14.435   4.633
  275   2HB   MET  37           HB1      MET  37   4.082  14.216   3.137
  276   1HG   MET  37           HG2      MET  37   2.082  15.235   4.283
  277   2HG   MET  37           HG1      MET  37   3.127  15.605   5.652
  278   1HE   MET  37           HE1      MET  37   5.331  16.640   5.446
  279   2HE   MET  37           HE3      MET  37   5.563  18.163   4.573
  280   3HE   MET  37           HE2      MET  37   4.296  18.024   5.791
  281    H    ILE  38           HN       ILE  38   3.112  11.555   2.696
  282    HA   ILE  38           HA       ILE  38   0.379  12.369   2.092
  283    HB   ILE  38           HB       ILE  38   2.248  10.330   0.858
  284   1HG1  ILE  38          HG12      ILE  38   1.169  12.877  -0.360
  285   2HG1  ILE  38          HG11      ILE  38   2.600  12.897   0.666
  286   1HG2  ILE  38          HG23      ILE  38  -0.621  11.020   0.226
  287   2HG2  ILE  38          HG22      ILE  38   0.471  10.516  -1.062
  288   3HG2  ILE  38          HG21      ILE  38   0.152   9.434   0.292
  289   1HD1  ILE  38          HD12      ILE  38   2.271  11.173  -1.794
  290   2HD1  ILE  38          HD11      ILE  38   3.179  12.686  -1.732
  291   3HD1  ILE  38          HD13      ILE  38   3.710  11.295  -0.796
  292    H    LYS  39           HN       LYS  39   1.613  10.131   4.288
  293    HA   LYS  39           HA       LYS  39  -0.122   7.951   3.751
  294   1HB   LYS  39           HB2      LYS  39   0.487   6.968   5.757
  295   2HB   LYS  39           HB1      LYS  39   1.910   7.876   5.273
  296   1HG   LYS  39           HG2      LYS  39   1.322   9.673   6.861
  297   2HG   LYS  39           HG1      LYS  39  -0.135   8.815   7.334
  298   1HD   LYS  39           HD2      LYS  39   2.745   8.029   7.840
  299   2HD   LYS  39           HD1      LYS  39   1.485   8.361   9.024
  300   1HE   LYS  39           HE2      LYS  39   0.247   6.335   8.011
  301   2HE   LYS  39           HE1      LYS  39   1.792   5.935   7.249
  302   1HZ   LYS  39           HZ1      LYS  39   1.812   6.548  10.102
  303   2HZ   LYS  39           HZ3      LYS  39   1.164   5.056   9.629
  304   3HZ   LYS  39           HZ2      LYS  39   2.762   5.455   9.217
  305    HA   PRO  40           HA       PRO  40  -3.085   9.957   7.099
  306   1HB   PRO  40           HB2      PRO  40  -3.501  12.519   5.633
  307   2HB   PRO  40           HB1      PRO  40  -3.407  12.221   7.381
  308   1HG   PRO  40           HG2      PRO  40  -1.400  13.427   6.078
  309   2HG   PRO  40           HG1      PRO  40  -1.080  12.288   7.396
  310   1HD   PRO  40           HD2      PRO  40  -0.837  11.864   4.448
  311   2HD   PRO  40           HD1      PRO  40   0.206  11.242   5.747
  312    H    PHE  41           HN       PHE  41  -3.266  10.752   3.595
  313    HA   PHE  41           HA       PHE  41  -6.138  10.359   3.512
  314   1HB   PHE  41           HB2      PHE  41  -4.000  10.271   1.366
  315   2HB   PHE  41           HB1      PHE  41  -5.707  10.034   1.031
  316    HD1  PHE  41           HD2      PHE  41  -3.352  12.425   2.656
  317    HD2  PHE  41           HD1      PHE  41  -7.104  11.870   0.637
  318    HE1  PHE  41           HE2      PHE  41  -3.671  14.884   2.579
  319    HE2  PHE  41           HE1      PHE  41  -7.424  14.335   0.562
  320    HZ   PHE  41           HZ       PHE  41  -5.705  15.839   1.530
  321    H    PHE  42           HN       PHE  42  -3.334   8.331   2.816
  322    HA   PHE  42           HA       PHE  42  -4.750   5.980   2.008
  323   1HB   PHE  42           HB2      PHE  42  -2.368   6.343   1.563
  324   2HB   PHE  42           HB1      PHE  42  -2.024   6.313   3.296
  325    HD1  PHE  42           HD1      PHE  42  -3.362   4.294   0.477
  326    HD2  PHE  42           HD2      PHE  42  -1.765   4.269   4.459
  327    HE1  PHE  42           HE1      PHE  42  -3.225   1.825   0.413
  328    HE2  PHE  42           HE2      PHE  42  -1.620   1.798   4.391
  329    HZ   PHE  42           HZ       PHE  42  -2.353   0.572   2.364
  330    H    HIS  43           HN       HIS  43  -3.339   6.914   5.111
  331    HA   HIS  43           HA       HIS  43  -4.321   4.645   6.564
  332   1HB   HIS  43           HB2      HIS  43  -2.391   5.965   7.297
  333   2HB   HIS  43           HB1      HIS  43  -3.406   7.390   7.489
  334    HD1  HIS  43           HD1      HIS  43  -2.429   4.217   9.155
  335    HD2  HIS  43           HD2      HIS  43  -5.234   7.239   9.696
  336    HE1  HIS  43           HE1      HIS  43  -3.425   3.863  11.459
  337    H    SER  44           HN       SER  44  -5.523   7.987   6.177
  338    HA   SER  44           HA       SER  44  -7.730   7.747   7.945
  339   1HB   SER  44           HB2      SER  44  -7.470   9.453   5.461
  340   2HB   SER  44           HB1      SER  44  -8.718   9.640   6.688
  341    HG   SER  44           HG       SER  44  -7.264  10.378   8.080
  342    H    LEU  45           HN       LEU  45  -7.416   6.865   4.509
  343    HA   LEU  45           HA       LEU  45 -10.198   6.399   4.056
  344   1HB   LEU  45           HB2      LEU  45  -7.727   5.297   2.748
  345   2HB   LEU  45           HB1      LEU  45  -9.335   4.835   2.211
  346    HG   LEU  45           HG       LEU  45  -8.583   7.751   2.516
  347   1HD1  LEU  45          HD12      LEU  45  -6.908   6.721   1.032
  348   2HD1  LEU  45          HD11      LEU  45  -8.200   6.042   0.043
  349   3HD1  LEU  45          HD13      LEU  45  -7.984   7.790   0.136
  350   1HD2  LEU  45          HD23      LEU  45 -10.725   6.196   1.052
  351   2HD2  LEU  45          HD22      LEU  45 -10.910   7.528   2.190
  352   3HD2  LEU  45          HD21      LEU  45 -10.307   7.836   0.570
  353    H    SER  46           HN       SER  46  -7.850   4.516   5.767
  354    HA   SER  46           HA       SER  46  -8.915   1.926   5.495
  355   1HB   SER  46           HB2      SER  46  -7.848   3.222   8.032
  356   2HB   SER  46           HB1      SER  46  -8.013   1.492   7.756
  357    HG   SER  46           HG       SER  46  -6.619   1.883   5.862
  358    H    GLU  47           HN       GLU  47 -10.012   4.650   7.471
  359    HA   GLU  47           HA       GLU  47 -12.188   3.033   8.624
  360   1HB   GLU  47           HB2      GLU  47 -11.460   5.976   8.848
  361   2HB   GLU  47           HB1      GLU  47 -12.847   5.244   9.654
  362   1HG   GLU  47           HG2      GLU  47 -11.094   5.217  11.271
  363   2HG   GLU  47           HG1      GLU  47 -11.203   3.561  10.671
  364    H    LYS  48           HN       LYS  48 -11.679   5.004   5.795
  365    HA   LYS  48           HA       LYS  48 -14.500   5.721   5.452
  366   1HB   LYS  48           HB2      LYS  48 -12.607   7.036   4.389
  367   2HB   LYS  48           HB1      LYS  48 -12.341   5.660   3.317
  368   1HG   LYS  48           HG2      LYS  48 -14.732   5.827   2.586
  369   2HG   LYS  48           HG1      LYS  48 -14.895   7.282   3.563
  370   1HD   LYS  48           HD2      LYS  48 -13.110   8.369   2.235
  371   2HD   LYS  48           HD1      LYS  48 -12.960   6.909   1.255
  372   1HE   LYS  48           HE2      LYS  48 -15.278   7.134   0.503
  373   2HE   LYS  48           HE1      LYS  48 -15.496   8.548   1.535
  374   1HZ   LYS  48           HZ2      LYS  48 -13.264   9.116   0.077
  375   2HZ   LYS  48           HZ1      LYS  48 -14.286   8.351  -1.046
  376   3HZ   LYS  48           HZ3      LYS  48 -14.826   9.724  -0.207
  377    H    TYR  49           HN       TYR  49 -12.288   3.217   4.419
  378    HA   TYR  49           HA       TYR  49 -14.623   1.632   3.371
  379   1HB   TYR  49           HB2      TYR  49 -11.766   1.703   2.326
  380   2HB   TYR  49           HB1      TYR  49 -12.995   0.559   1.793
  381    HD1  TYR  49           HD2      TYR  49 -15.268   1.630   0.936
  382    HD2  TYR  49           HD1      TYR  49 -11.532   3.746   1.202
  383    HE1  TYR  49           HE2      TYR  49 -16.100   3.312  -0.688
  384    HE2  TYR  49           HE1      TYR  49 -12.368   5.416  -0.423
  385    HH   TYR  49           HH       TYR  49 -15.689   5.540  -1.397
  386    H    SER  50           HN       SER  50 -14.444   1.226   5.835
  387    HA   SER  50           HA       SER  50 -12.276  -0.297   6.901
  388   1HB   SER  50           HB2      SER  50 -13.749  -0.725   8.752
  389   2HB   SER  50           HB1      SER  50 -14.086   0.905   8.191
  390    HG   SER  50           HG       SER  50 -15.982   0.282   7.461
  391    H    ASN  51           HN       ASN  51 -14.517  -1.054   4.547
  392    HA   ASN  51           HA       ASN  51 -14.610  -3.947   5.159
  393   1HB   ASN  51           HB2      ASN  51 -16.603  -2.664   4.223
  394   2HB   ASN  51           HB1      ASN  51 -15.701  -2.531   2.712
  395   1HD2  ASN  51          HD22      ASN  51 -16.481  -5.816   1.704
  396   2HD2  ASN  51          HD21      ASN  51 -15.844  -4.295   1.289
  397    H    VAL  52           HN       VAL  52 -12.279  -2.054   4.132
  398    HA   VAL  52           HA       VAL  52 -11.224  -4.013   2.139
  399    HB   VAL  52           HB       VAL  52 -11.065  -0.985   2.112
  400   1HG1  VAL  52          HG13      VAL  52  -9.317  -3.051   0.804
  401   2HG1  VAL  52          HG12      VAL  52  -9.640  -1.531  -0.032
  402   3HG1  VAL  52          HG11      VAL  52  -8.863  -1.525   1.548
  403   1HG2  VAL  52          HG22      VAL  52 -12.063  -3.082   0.168
  404   2HG2  VAL  52          HG21      VAL  52 -13.031  -1.888   1.032
  405   3HG2  VAL  52          HG23      VAL  52 -11.908  -1.371  -0.227
  406    H    ILE  53           HN       ILE  53  -8.908  -4.414   2.368
  407    HA   ILE  53           HA       ILE  53  -7.904  -3.667   5.099
  408    HB   ILE  53           HB       ILE  53  -6.736  -5.681   3.162
  409   1HG1  ILE  53          HG12      ILE  53  -9.028  -6.374   3.575
  410   2HG1  ILE  53          HG11      ILE  53  -7.963  -7.393   4.541
  411   1HG2  ILE  53          HG22      ILE  53  -5.548  -4.686   5.346
  412   2HG2  ILE  53          HG21      ILE  53  -6.555  -5.873   6.157
  413   3HG2  ILE  53          HG23      ILE  53  -5.403  -6.391   4.928
  414   1HD1  ILE  53          HD11      ILE  53  -8.372  -5.642   6.431
  415   2HD1  ILE  53          HD13      ILE  53  -9.758  -5.152   5.457
  416   3HD1  ILE  53          HD12      ILE  53  -9.651  -6.802   6.069
  417    H    PHE  54           HN       PHE  54  -6.407  -2.017   5.198
  418    HA   PHE  54           HA       PHE  54  -4.857  -1.319   2.717
  419   1HB   PHE  54           HB2      PHE  54  -5.511   0.304   5.202
  420   2HB   PHE  54           HB1      PHE  54  -4.450   0.862   3.915
  421    HD1  PHE  54           HD1      PHE  54  -7.932  -0.297   4.615
  422    HD2  PHE  54           HD2      PHE  54  -5.342   1.861   1.960
  423    HE1  PHE  54           HE1      PHE  54  -9.902   0.559   3.376
  424    HE2  PHE  54           HE2      PHE  54  -7.309   2.695   0.707
  425    HZ   PHE  54           HZ       PHE  54  -9.589   2.038   1.414
  426    H    LEU  55           HN       LEU  55  -2.646  -1.719   2.752
  427    HA   LEU  55           HA       LEU  55  -1.348  -2.268   5.412
  428   1HB   LEU  55           HB2      LEU  55  -0.671  -3.411   2.680
  429   2HB   LEU  55           HB1      LEU  55   0.385  -3.564   4.081
  430    HG   LEU  55           HG       LEU  55  -1.375  -4.788   5.285
  431   1HD1  LEU  55          HD13      LEU  55  -3.015  -4.036   2.898
  432   2HD1  LEU  55          HD12      LEU  55  -3.341  -5.583   3.688
  433   3HD1  LEU  55          HD11      LEU  55  -3.448  -4.096   4.608
  434   1HD2  LEU  55          HD21      LEU  55  -0.463  -5.758   2.589
  435   2HD2  LEU  55          HD23      LEU  55  -0.004  -6.311   4.198
  436   3HD2  LEU  55          HD22      LEU  55  -1.568  -6.760   3.535
  437    H    GLU  56           HN       GLU  56   0.581  -1.224   5.872
  438    HA   GLU  56           HA       GLU  56   1.501   0.829   3.874
  439   1HB   GLU  56           HB2      GLU  56   0.619   1.681   6.122
  440   2HB   GLU  56           HB1      GLU  56   1.995   0.867   6.869
  441   1HG   GLU  56           HG2      GLU  56   3.514   2.164   5.346
  442   2HG   GLU  56           HG1      GLU  56   2.103   3.071   4.791
  443    H    VAL  57           HN       VAL  57   3.576   0.499   3.109
  444    HA   VAL  57           HA       VAL  57   5.292  -1.493   4.587
  445    HB   VAL  57           HB       VAL  57   5.002  -1.126   1.595
  446   1HG1  VAL  57          HG12      VAL  57   6.580  -3.058   3.319
  447   2HG1  VAL  57          HG11      VAL  57   6.282  -3.314   1.599
  448   3HG1  VAL  57          HG13      VAL  57   7.221  -1.918   2.132
  449   1HG2  VAL  57          HG21      VAL  57   4.010  -3.301   3.461
  450   2HG2  VAL  57          HG23      VAL  57   3.004  -2.124   2.623
  451   3HG2  VAL  57          HG22      VAL  57   3.895  -3.336   1.705
  452    H    ASP  58           HN       ASP  58   7.413  -0.961   4.880
  453    HA   ASP  58           HA       ASP  58   8.389   1.710   3.948
  454   1HB   ASP  58           HB2      ASP  58   8.446   0.992   6.399
  455   2HB   ASP  58           HB1      ASP  58   9.650  -0.216   5.915
  456    H    VAL  59           HN       VAL  59   9.663   1.651   2.148
  457    HA   VAL  59           HA       VAL  59  10.711  -0.830   1.085
  458    HB   VAL  59           HB       VAL  59  11.866   0.643  -0.547
  459   1HG1  VAL  59          HG11      VAL  59   8.981   1.370   0.062
  460   2HG1  VAL  59          HG13      VAL  59   9.798   1.723  -1.457
  461   3HG1  VAL  59          HG12      VAL  59   9.531   0.052  -0.969
  462   1HG2  VAL  59          HG23      VAL  59  10.782   2.835   1.238
  463   2HG2  VAL  59          HG22      VAL  59  12.478   2.476   0.920
  464   3HG2  VAL  59          HG21      VAL  59  11.453   3.106  -0.370
  465    H    ASP  60           HN       ASP  60  11.803   1.421   3.454
  466    HA   ASP  60           HA       ASP  60  14.645   0.601   3.144
  467   1HB   ASP  60           HB2      ASP  60  13.184   2.677   4.757
  468   2HB   ASP  60           HB1      ASP  60  14.849   2.268   5.108
  469    H    ASP  61           HN       ASP  61  12.001   0.299   5.544
  470    HA   ASP  61           HA       ASP  61  13.775  -1.427   7.221
  471   1HB   ASP  61           HB2      ASP  61  10.949  -0.424   7.743
  472   2HB   ASP  61           HB1      ASP  61  11.946  -1.325   8.878
  473    H    ALA  62           HN       ALA  62  11.318  -1.562   4.851
  474    HA   ALA  62           HA       ALA  62  11.020  -4.511   5.265
  475   1HB   ALA  62           HB3      ALA  62   8.968  -2.798   5.625
  476   2HB   ALA  62           HB2      ALA  62   8.842  -2.990   3.876
  477   3HB   ALA  62           HB1      ALA  62   8.730  -4.400   4.931
  478    H    GLN  63           HN       GLN  63  13.045  -3.273   3.803
  479    HA   GLN  63           HA       GLN  63  12.539  -2.869   1.041
  480   1HB   GLN  63           HB2      GLN  63  14.914  -3.123   0.729
  481   2HB   GLN  63           HB1      GLN  63  14.678  -2.333   2.286
  482   1HG   GLN  63           HG2      GLN  63  14.838  -4.633   3.357
  483   2HG   GLN  63           HG1      GLN  63  15.349  -5.241   1.779
  484   1HE2  GLN  63          HE22      GLN  63  18.083  -3.454   4.089
  485   2HE2  GLN  63          HE21      GLN  63  16.574  -3.974   4.665
  486    H    ASP  64           HN       ASP  64  12.780  -5.824   2.898
  487    HA   ASP  64           HA       ASP  64  13.329  -7.588   0.727
  488   1HB   ASP  64           HB2      ASP  64  12.197  -9.319   2.195
  489   2HB   ASP  64           HB1      ASP  64  13.518  -8.445   2.963
  490    H    VAL  65           HN       VAL  65  10.308  -6.229   1.996
  491    HA   VAL  65           HA       VAL  65   8.587  -7.775   0.278
  492    HB   VAL  65           HB       VAL  65   7.986  -5.026   1.406
  493   1HG1  VAL  65          HG11      VAL  65   6.350  -5.976  -0.170
  494   2HG1  VAL  65          HG13      VAL  65   6.252  -7.438   0.812
  495   3HG1  VAL  65          HG12      VAL  65   5.687  -5.901   1.465
  496   1HG2  VAL  65          HG23      VAL  65   8.149  -7.698   2.784
  497   2HG2  VAL  65          HG22      VAL  65   8.721  -6.130   3.338
  498   3HG2  VAL  65          HG21      VAL  65   6.998  -6.486   3.341
  499    H    ALA  66           HN       ALA  66   9.947  -4.489   0.058
  500    HA   ALA  66           HA       ALA  66   8.682  -3.888  -2.456
  501   1HB   ALA  66           HB1      ALA  66   9.681  -2.279  -0.676
  502   2HB   ALA  66           HB3      ALA  66  11.207  -2.551  -1.516
  503   3HB   ALA  66           HB2      ALA  66   9.837  -1.856  -2.380
  504    H    SER  67           HN       SER  67  11.888  -5.190  -1.607
  505    HA   SER  67           HA       SER  67  13.043  -4.919  -4.197
  506   1HB   SER  67           HB2      SER  67  14.624  -6.643  -3.502
  507   2HB   SER  67           HB1      SER  67  14.312  -5.566  -2.145
  508    HG   SER  67           HG       SER  67  13.173  -8.124  -2.635
  509    H    GLU  68           HN       GLU  68  10.880  -7.325  -2.850
  510    HA   GLU  68           HA       GLU  68  11.085  -9.260  -4.943
  511   1HB   GLU  68           HB2      GLU  68  10.011  -9.641  -2.706
  512   2HB   GLU  68           HB1      GLU  68   8.660  -8.636  -3.231
  513   1HG   GLU  68           HG2      GLU  68   9.564 -11.039  -4.833
  514   2HG   GLU  68           HG1      GLU  68   8.404 -11.191  -3.517
  515    H    ALA  69           HN       ALA  69   9.110  -6.343  -4.572
  516    HA   ALA  69           HA       ALA  69   7.668  -6.877  -7.087
  517   1HB   ALA  69           HB3      ALA  69   7.583  -4.605  -5.094
  518   2HB   ALA  69           HB2      ALA  69   6.601  -4.650  -6.559
  519   3HB   ALA  69           HB1      ALA  69   6.386  -5.880  -5.314
  520    H    GLU  70           HN       GLU  70  10.685  -5.617  -6.408
  521    HA   GLU  70           HA       GLU  70  12.163  -4.267  -7.625
  522   1HB   GLU  70           HB2      GLU  70  10.210  -4.814  -9.884
  523   2HB   GLU  70           HB1      GLU  70  11.824  -4.135 -10.068
  524   1HG   GLU  70           HG2      GLU  70  11.249  -6.830  -8.831
  525   2HG   GLU  70           HG1      GLU  70  11.735  -6.583 -10.506
  526    H    VAL  71           HN       VAL  71  10.457  -2.785  -6.059
  527    HA   VAL  71           HA       VAL  71   8.922  -0.850  -7.525
  528    HB   VAL  71           HB       VAL  71  10.350  -0.403  -4.879
  529   1HG1  VAL  71          HG11      VAL  71   7.936   0.858  -6.225
  530   2HG1  VAL  71          HG13      VAL  71   8.361   1.128  -4.536
  531   3HG1  VAL  71          HG12      VAL  71   9.463   1.644  -5.816
  532   1HG2  VAL  71          HG23      VAL  71   7.709  -1.748  -5.545
  533   2HG2  VAL  71          HG22      VAL  71   9.047  -2.402  -4.605
  534   3HG2  VAL  71          HG21      VAL  71   8.062  -1.100  -3.944
  535    H    LYS  72           HN       LYS  72   9.610   0.842  -8.714
  536    HA   LYS  72           HA       LYS  72  12.519   1.447  -8.745
  537   1HB   LYS  72           HB2      LYS  72  10.346   2.066 -10.758
  538   2HB   LYS  72           HB1      LYS  72  12.053   2.447 -10.963
  539   1HG   LYS  72           HG2      LYS  72  11.161  -0.399 -10.403
  540   2HG   LYS  72           HG1      LYS  72  11.150   0.240 -12.044
  541   1HD   LYS  72           HD2      LYS  72  13.596   0.874 -11.696
  542   2HD   LYS  72           HD1      LYS  72  13.541  -0.050 -10.199
  543   1HE   LYS  72           HE2      LYS  72  14.402  -1.469 -11.996
  544   2HE   LYS  72           HE1      LYS  72  12.813  -2.054 -11.500
  545   1HZ   LYS  72           HZ1      LYS  72  13.248  -0.197 -13.770
  546   2HZ   LYS  72           HZ3      LYS  72  13.144  -1.880 -13.945
  547   3HZ   LYS  72           HZ2      LYS  72  11.811  -1.007 -13.359
  548    H    ALA  73           HN       ALA  73   9.564   2.733  -7.606
  549    HA   ALA  73           HA       ALA  73  10.921   5.179  -6.779
  550   1HB   ALA  73           HB3      ALA  73   9.082   5.152  -9.116
  551   2HB   ALA  73           HB2      ALA  73   8.861   6.480  -7.977
  552   3HB   ALA  73           HB1      ALA  73  10.419   6.246  -8.760
  553    H    THR  74           HN       THR  74   9.642   6.402  -5.203
  554    HA   THR  74           HA       THR  74   7.122   5.053  -4.294
  555    HB   THR  74           HB       THR  74   7.844   5.281  -1.973
  556    HG1  THR  74           HG1      THR  74   9.469   6.491  -1.408
  557   1HG2  THR  74          HG21      THR  74   9.890   4.067  -3.801
  558   2HG2  THR  74          HG23      THR  74  10.066   4.006  -2.052
  559   3HG2  THR  74          HG22      THR  74   8.673   3.253  -2.827
  560    HA   PRO  75           HA       PRO  75   5.730   5.628  -2.372
  561   1HB   PRO  75           HB2      PRO  75   3.157   6.644  -2.446
  562   2HB   PRO  75           HB1      PRO  75   4.353   7.030  -1.201
  563   1HG   PRO  75           HG2      PRO  75   3.410   8.699  -3.479
  564   2HG   PRO  75           HG1      PRO  75   4.039   9.196  -1.901
  565   1HD   PRO  75           HD2      PRO  75   5.479   9.250  -4.327
  566   2HD   PRO  75           HD1      PRO  75   6.198   9.352  -2.695
  567    H    THR  76           HN       THR  76   4.690   3.810  -3.153
  568    HA   THR  76           HA       THR  76   3.390   3.966  -5.846
  569    HB   THR  76           HB       THR  76   5.272   1.786  -4.893
  570    HG1  THR  76           HG1      THR  76   5.544   3.627  -7.014
  571   1HG2  THR  76          HG21      THR  76   3.547   2.130  -7.334
  572   2HG2  THR  76          HG23      THR  76   4.990   1.118  -7.366
  573   3HG2  THR  76          HG22      THR  76   3.670   0.736  -6.262
  574    H    PHE  77           HN       PHE  77   1.458   2.920  -5.900
  575    HA   PHE  77           HA       PHE  77   0.643   1.417  -3.434
  576   1HB   PHE  77           HB2      PHE  77  -1.078   2.786  -5.522
  577   2HB   PHE  77           HB1      PHE  77  -1.653   2.018  -4.044
  578    HD1  PHE  77           HD1      PHE  77  -1.128   3.022  -1.806
  579    HD2  PHE  77           HD2      PHE  77   0.008   4.935  -5.484
  580    HE1  PHE  77           HE1      PHE  77  -0.724   5.144  -0.584
  581    HE2  PHE  77           HE2      PHE  77   0.410   7.057  -4.259
  582    HZ   PHE  77           HZ       PHE  77   0.043   7.163  -1.807
  583    H    GLN  78           HN       GLN  78   0.153  -0.720  -3.655
  584    HA   GLN  78           HA       GLN  78  -0.285  -1.809  -6.426
  585   1HB   GLN  78           HB2      GLN  78   1.267  -2.998  -4.107
  586   2HB   GLN  78           HB1      GLN  78   0.812  -3.902  -5.551
  587   1HG   GLN  78           HG2      GLN  78   2.017  -2.212  -6.933
  588   2HG   GLN  78           HG1      GLN  78   2.552  -1.421  -5.449
  589   1HE2  GLN  78          HE22      GLN  78   5.408  -3.521  -5.682
  590   2HE2  GLN  78          HE21      GLN  78   4.820  -1.931  -5.777
  591    H    PHE  79           HN       PHE  79  -1.961  -3.199  -6.620
  592    HA   PHE  79           HA       PHE  79  -3.684  -3.580  -4.198
  593   1HB   PHE  79           HB2      PHE  79  -4.339  -3.604  -7.150
  594   2HB   PHE  79           HB1      PHE  79  -5.496  -3.920  -5.855
  595    HD1  PHE  79           HD2      PHE  79  -3.099  -1.397  -7.175
  596    HD2  PHE  79           HD1      PHE  79  -6.468  -2.139  -4.631
  597    HE1  PHE  79           HE2      PHE  79  -3.385   1.040  -6.842
  598    HE2  PHE  79           HE1      PHE  79  -6.759   0.297  -4.294
  599    HZ   PHE  79           HZ       PHE  79  -5.219   1.890  -5.403
  600    H    PHE  80           HN       PHE  80  -4.175  -5.565  -3.538
  601    HA   PHE  80           HA       PHE  80  -3.443  -7.879  -5.267
  602   1HB   PHE  80           HB2      PHE  80  -2.947  -7.496  -2.313
  603   2HB   PHE  80           HB1      PHE  80  -2.888  -9.074  -3.098
  604    HD1  PHE  80           HD2      PHE  80  -1.271  -5.746  -2.835
  605    HD2  PHE  80           HD1      PHE  80  -1.094  -9.654  -4.644
  606    HE1  PHE  80           HE2      PHE  80   1.069  -5.332  -3.525
  607    HE2  PHE  80           HE1      PHE  80   1.252  -9.224  -5.332
  608    HZ   PHE  80           HZ       PHE  80   2.331  -7.064  -4.771
  609    H    LYS  81           HN       LYS  81  -4.866  -9.617  -5.166
  610    HA   LYS  81           HA       LYS  81  -7.247  -9.385  -3.401
  611   1HB   LYS  81           HB2      LYS  81  -7.681  -8.286  -5.669
  612   2HB   LYS  81           HB1      LYS  81  -7.435  -9.870  -6.394
  613   1HG   LYS  81           HG2      LYS  81  -9.773  -9.748  -6.126
  614   2HG   LYS  81           HG1      LYS  81  -9.247 -10.698  -4.742
  615   1HD   LYS  81           HD2      LYS  81  -9.442  -8.816  -3.264
  616   2HD   LYS  81           HD1      LYS  81  -9.631  -7.697  -4.612
  617   1HE   LYS  81           HE2      LYS  81 -11.568  -9.920  -3.932
  618   2HE   LYS  81           HE1      LYS  81 -11.791  -8.223  -3.501
  619   1HZ   LYS  81           HZ1      LYS  81 -11.443  -7.821  -5.996
  620   2HZ   LYS  81           HZ3      LYS  81 -11.793  -9.471  -6.172
  621   3HZ   LYS  81           HZ2      LYS  81 -12.943  -8.429  -5.476
  622    H    LYS  82           HN       LYS  82  -7.441 -11.375  -2.457
  623    HA   LYS  82           HA       LYS  82  -7.303 -13.695  -2.132
  624   1HB   LYS  82           HB2      LYS  82  -7.474 -13.675  -5.168
  625   2HB   LYS  82           HB1      LYS  82  -7.534 -15.130  -4.187
  626   1HG   LYS  82           HG2      LYS  82  -9.555 -14.444  -3.131
  627   2HG   LYS  82           HG1      LYS  82  -9.435 -12.813  -3.789
  628   1HD   LYS  82           HD2      LYS  82  -9.601 -13.815  -6.095
  629   2HD   LYS  82           HD1      LYS  82  -9.931 -15.372  -5.330
  630   1HE   LYS  82           HE2      LYS  82 -11.887 -14.417  -4.198
  631   2HE   LYS  82           HE1      LYS  82 -11.553 -12.848  -4.925
  632   1HZ   LYS  82           HZ2      LYS  82 -11.725 -13.954  -7.119
  633   2HZ   LYS  82           HZ1      LYS  82 -12.263 -15.360  -6.325
  634   3HZ   LYS  82           HZ3      LYS  82 -13.181 -13.936  -6.241
  635    H    GLY  83           HN       GLY  83  -4.798 -12.030  -2.548
  636   1HA   GLY  83           HA2      GLY  83  -2.523 -12.653  -2.310
  637   2HA   GLY  83           HA1      GLY  83  -2.951 -14.300  -2.748
  638    H    GLN  84           HN       GLN  84  -4.142 -11.892  -4.911
  639    HA   GLN  84           HA       GLN  84  -1.840 -12.387  -6.764
  640   1HB   GLN  84           HB2      GLN  84  -4.801 -12.424  -7.383
  641   2HB   GLN  84           HB1      GLN  84  -3.539 -12.398  -8.615
  642   1HG   GLN  84           HG2      GLN  84  -2.586 -14.485  -7.624
  643   2HG   GLN  84           HG1      GLN  84  -3.952 -14.536  -6.507
  644   1HE2  GLN  84          HE22      GLN  84  -6.170 -14.780  -9.592
  645   2HE2  GLN  84          HE21      GLN  84  -5.914 -13.526  -8.472
  646    H    LYS  85           HN       LYS  85  -1.169 -10.636  -7.984
  647    HA   LYS  85           HA       LYS  85  -2.061  -7.993  -7.073
  648   1HB   LYS  85           HB2      LYS  85   0.324  -8.522  -7.578
  649   2HB   LYS  85           HB1      LYS  85  -0.106  -8.716  -9.278
  650   1HG   LYS  85           HG2      LYS  85  -0.986  -6.361  -9.255
  651   2HG   LYS  85           HG1      LYS  85  -0.392  -6.203  -7.607
  652   1HD   LYS  85           HD2      LYS  85   1.422  -5.337  -8.783
  653   2HD   LYS  85           HD1      LYS  85   1.899  -7.029  -8.670
  654   1HE   LYS  85           HE2      LYS  85   0.970  -7.447 -10.918
  655   2HE   LYS  85           HE1      LYS  85   0.468  -5.761 -11.026
  656   1HZ   LYS  85           HZ1      LYS  85   3.151  -5.762 -10.314
  657   2HZ   LYS  85           HZ3      LYS  85   2.993  -6.889 -11.572
  658   3HZ   LYS  85           HZ2      LYS  85   2.470  -5.290 -11.797
  659    H    VAL  86           HN       VAL  86  -3.636  -6.825  -8.017
  660    HA   VAL  86           HA       VAL  86  -4.505  -7.574 -10.791
  661    HB   VAL  86           HB       VAL  86  -6.768  -6.791 -10.103
  662   1HG1  VAL  86          HG11      VAL  86  -5.913  -9.217  -9.919
  663   2HG1  VAL  86          HG13      VAL  86  -5.790  -8.916  -8.188
  664   3HG1  VAL  86          HG12      VAL  86  -7.355  -8.804  -8.994
  665   1HG2  VAL  86          HG23      VAL  86  -6.014  -5.305  -8.259
  666   2HG2  VAL  86          HG22      VAL  86  -7.218  -6.466  -7.704
  667   3HG2  VAL  86          HG21      VAL  86  -5.513  -6.723  -7.338
  668    H    GLY  87           HN       GLY  87  -2.730  -5.273  -9.408
  669   1HA   GLY  87           HA2      GLY  87  -2.990  -3.387 -11.439
  670   2HA   GLY  87           HA1      GLY  87  -4.188  -2.901 -10.248
  671    H    GLU  88           HN       GLU  88  -1.909  -1.347 -11.009
  672    HA   GLU  88           HA       GLU  88  -0.895  -0.719  -8.365
  673   1HB   GLU  88           HB2      GLU  88   1.495  -1.079  -8.888
  674   2HB   GLU  88           HB1      GLU  88   0.603  -2.600  -8.895
  675   1HG   GLU  88           HG2      GLU  88   0.394  -2.425 -11.371
  676   2HG   GLU  88           HG1      GLU  88   1.377  -0.959 -11.329
  677    H    PHE  89           HN       PHE  89   0.400   1.284  -8.407
  678    HA   PHE  89           HA       PHE  89   0.962   2.565 -10.938
  679   1HB   PHE  89           HB2      PHE  89  -0.579   4.395 -10.901
  680   2HB   PHE  89           HB1      PHE  89  -1.516   2.911 -10.804
  681    HD1  PHE  89           HD1      PHE  89  -0.211   5.790  -8.901
  682    HD2  PHE  89           HD2      PHE  89  -2.857   2.415  -8.837
  683    HE1  PHE  89           HE1      PHE  89  -1.302   6.690  -6.861
  684    HE2  PHE  89           HE2      PHE  89  -3.945   3.308  -6.790
  685    HZ   PHE  89           HZ       PHE  89  -3.177   5.454  -5.807
  686    H    SER  90           HN       SER  90   1.879   4.797 -10.622
  687    HA   SER  90           HA       SER  90   2.982   5.145  -7.853
  688   1HB   SER  90           HB2      SER  90   5.103   5.895  -8.854
  689   2HB   SER  90           HB1      SER  90   4.742   4.232  -9.320
  690    HG   SER  90           HG       SER  90   3.610   5.951 -11.045
  691    H    GLY  91           HN       GLY  91   3.682   7.330  -7.373
  692   1HA   GLY  91           HA2      GLY  91   3.711   9.720  -8.103
  693   2HA   GLY  91           HA1      GLY  91   2.193   9.417  -8.946
  694    H    ALA  92           HN       ALA  92   2.961  11.225  -6.607
  695    HA   ALA  92           HA       ALA  92   1.521  10.159  -4.322
  696   1HB   ALA  92           HB2      ALA  92   2.646  12.860  -5.039
  697   2HB   ALA  92           HB1      ALA  92   1.746  12.598  -3.546
  698   3HB   ALA  92           HB3      ALA  92   3.247  11.713  -3.846
  699    H    ASN  93           HN       ASN  93  -0.495   9.724  -5.837
  700    HA   ASN  93           HA       ASN  93  -2.284  12.140  -5.761
  701   1HB   ASN  93           HB2      ASN  93  -1.844  11.235  -8.076
  702   2HB   ASN  93           HB1      ASN  93  -2.606   9.727  -7.560
  703   1HD2  ASN  93          HD22      ASN  93  -4.908  12.899  -8.510
  704   2HD2  ASN  93          HD21      ASN  93  -3.224  12.926  -8.682
  705    H    LYS  94           HN       LYS  94  -3.227  11.807  -3.768
  706    HA   LYS  94           HA       LYS  94  -3.922   9.224  -2.709
  707   1HB   LYS  94           HB2      LYS  94  -5.280  10.619  -1.112
  708   2HB   LYS  94           HB1      LYS  94  -3.577  11.043  -1.200
  709   1HG   LYS  94           HG2      LYS  94  -5.294  12.520  -3.130
  710   2HG   LYS  94           HG1      LYS  94  -5.693  12.838  -1.452
  711   1HD   LYS  94           HD2      LYS  94  -3.160  13.286  -1.128
  712   2HD   LYS  94           HD1      LYS  94  -3.075  13.335  -2.891
  713   1HE   LYS  94           HE2      LYS  94  -5.108  14.998  -2.660
  714   2HE   LYS  94           HE1      LYS  94  -4.530  15.174  -1.005
  715   1HZ   LYS  94           HZ2      LYS  94  -2.301  15.323  -2.641
  716   2HZ   LYS  94           HZ1      LYS  94  -3.485  16.295  -3.380
  717   3HZ   LYS  94           HZ3      LYS  94  -3.027  16.589  -1.773
  718    H    GLU  95           HN       GLU  95  -5.756  11.597  -4.621
  719    HA   GLU  95           HA       GLU  95  -8.321  10.425  -4.160
  720   1HB   GLU  95           HB2      GLU  95  -7.346  11.992  -6.568
  721   2HB   GLU  95           HB1      GLU  95  -9.027  11.647  -6.184
  722   1HG   GLU  95           HG2      GLU  95  -7.146  13.171  -4.363
  723   2HG   GLU  95           HG1      GLU  95  -8.308  13.925  -5.452
  724    H    LYS  96           HN       LYS  96  -5.715   9.617  -6.332
  725    HA   LYS  96           HA       LYS  96  -7.106   8.028  -8.234
  726   1HB   LYS  96           HB2      LYS  96  -4.683   8.816  -8.235
  727   2HB   LYS  96           HB1      LYS  96  -4.331   7.491  -7.150
  728   1HG   LYS  96           HG2      LYS  96  -4.825   5.852  -8.770
  729   2HG   LYS  96           HG1      LYS  96  -5.719   6.990  -9.782
  730   1HD   LYS  96           HD2      LYS  96  -3.618   8.236 -10.220
  731   2HD   LYS  96           HD1      LYS  96  -2.727   7.055  -9.267
  732   1HE   LYS  96           HE2      LYS  96  -2.493   6.413 -11.572
  733   2HE   LYS  96           HE1      LYS  96  -3.634   5.275 -10.849
  734   1HZ   LYS  96           HZ2      LYS  96  -4.643   7.752 -12.052
  735   2HZ   LYS  96           HZ1      LYS  96  -4.211   6.461 -13.068
  736   3HZ   LYS  96           HZ3      LYS  96  -5.410   6.244 -11.888
  737    H    LEU  97           HN       LEU  97  -5.884   7.380  -5.009
  738    HA   LEU  97           HA       LEU  97  -6.156   4.552  -4.979
  739   1HB   LEU  97           HB2      LEU  97  -6.407   6.663  -2.838
  740   2HB   LEU  97           HB1      LEU  97  -6.606   4.963  -2.463
  741    HG   LEU  97           HG       LEU  97  -4.159   6.130  -3.799
  742   1HD1  LEU  97          HD13      LEU  97  -4.798   5.493  -0.910
  743   2HD1  LEU  97          HD12      LEU  97  -3.148   5.685  -1.497
  744   3HD1  LEU  97          HD11      LEU  97  -4.278   7.038  -1.585
  745   1HD2  LEU  97          HD21      LEU  97  -5.012   3.371  -2.946
  746   2HD2  LEU  97          HD23      LEU  97  -4.041   3.865  -4.333
  747   3HD2  LEU  97          HD22      LEU  97  -3.322   3.806  -2.733
  748    H    GLU  98           HN       GLU  98  -8.440   7.156  -4.345
  749    HA   GLU  98           HA       GLU  98 -10.598   5.534  -3.398
  750   1HB   GLU  98           HB2      GLU  98 -10.525   8.016  -3.188
  751   2HB   GLU  98           HB1      GLU  98 -10.807   8.153  -4.923
  752   1HG   GLU  98           HG2      GLU  98 -12.940   6.875  -4.637
  753   2HG   GLU  98           HG1      GLU  98 -12.662   6.865  -2.897
  754    H    ALA  99           HN       ALA  99  -9.783   6.569  -6.706
  755    HA   ALA  99           HA       ALA  99 -12.142   5.406  -7.877
  756   1HB   ALA  99           HB3      ALA  99 -10.829   7.168  -8.999
  757   2HB   ALA  99           HB2      ALA  99  -9.475   6.052  -9.162
  758   3HB   ALA  99           HB1      ALA  99 -10.985   5.744 -10.024
  759    H    THR 100           HN       THR 100  -8.808   4.183  -7.556
  760    HA   THR 100           HA       THR 100  -9.285   1.773  -9.029
  761    HB   THR 100           HB       THR 100  -7.269   2.145  -6.792
  762    HG1  THR 100           HG1      THR 100  -6.085   2.541  -9.019
  763   1HG2  THR 100          HG22      THR 100  -7.341   0.398  -9.271
  764   2HG2  THR 100          HG21      THR 100  -5.970   0.531  -8.170
  765   3HG2  THR 100          HG23      THR 100  -7.497  -0.156  -7.604
  766    H    ILE 101           HN       ILE 101  -9.599   2.527  -5.561
  767    HA   ILE 101           HA       ILE 101 -10.160  -0.147  -4.657
  768    HB   ILE 101           HB       ILE 101 -11.062   2.576  -3.638
  769   1HG1  ILE 101          HG12      ILE 101  -9.051   0.688  -2.383
  770   2HG1  ILE 101          HG11      ILE 101  -8.564   1.833  -3.626
  771   1HG2  ILE 101          HG21      ILE 101 -11.425  -0.205  -2.487
  772   2HG2  ILE 101          HG23      ILE 101 -11.498   1.248  -1.489
  773   3HG2  ILE 101          HG22      ILE 101 -12.665   1.013  -2.790
  774   1HD1  ILE 101          HD11      ILE 101  -9.562   3.676  -2.227
  775   2HD1  ILE 101          HD13      ILE 101  -9.840   2.485  -0.955
  776   3HD1  ILE 101          HD12      ILE 101  -8.196   2.867  -1.464
  777    H    ASN 102           HN       ASN 102 -12.291   2.520  -5.680
  778    HA   ASN 102           HA       ASN 102 -14.759   1.110  -5.486
  779   1HB   ASN 102           HB2      ASN 102 -14.584   3.568  -5.821
  780   2HB   ASN 102           HB1      ASN 102 -13.964   3.285  -7.453
  781   1HD2  ASN 102          HD22      ASN 102 -17.916   3.286  -6.867
  782   2HD2  ASN 102          HD21      ASN 102 -16.796   3.865  -5.730
  783    H    GLU 103           HN       GLU 103 -12.312   1.334  -7.991
  784    HA   GLU 103           HA       GLU 103 -13.757  -0.005 -10.070
  785   1HB   GLU 103           HB2      GLU 103 -11.621   1.403 -10.247
  786   2HB   GLU 103           HB1      GLU 103 -10.762  -0.013  -9.651
  787   1HG   GLU 103           HG2      GLU 103 -12.556  -0.105 -12.089
  788   2HG   GLU 103           HG1      GLU 103 -10.819   0.198 -12.178
  789    H    LEU 104           HN       LEU 104 -11.592  -1.181  -7.483
  790    HA   LEU 104           HA       LEU 104 -12.003  -3.988  -8.392
  791   1HB   LEU 104           HB2      LEU 104 -10.149  -2.786  -6.335
  792   2HB   LEU 104           HB1      LEU 104 -10.235  -4.508  -6.689
  793    HG   LEU 104           HG       LEU 104  -9.595  -2.362  -8.734
  794   1HD1  LEU 104          HD13      LEU 104  -7.787  -4.185  -7.125
  795   2HD1  LEU 104          HD12      LEU 104  -7.256  -3.244  -8.518
  796   3HD1  LEU 104          HD11      LEU 104  -7.832  -2.422  -7.070
  797   1HD2  LEU 104          HD22      LEU 104  -9.679  -5.386  -8.770
  798   2HD2  LEU 104          HD21      LEU 104 -10.347  -4.255  -9.943
  799   3HD2  LEU 104          HD23      LEU 104  -8.609  -4.517  -9.870
  800    H    VAL 105           HN       VAL 105 -13.520  -1.885  -6.241
  801    HA   VAL 105           HA       VAL 105 -13.838  -3.600  -3.954
  802    HB   VAL 105           HB       VAL 105 -14.458  -1.105  -4.129
  803   1HG1  VAL 105          HG13      VAL 105 -15.972  -1.667  -6.207
  804   2HG1  VAL 105          HG12      VAL 105 -17.176  -2.091  -4.989
  805   3HG1  VAL 105          HG11      VAL 105 -16.516  -0.454  -5.049
  806   1HG2  VAL 105          HG21      VAL 105 -14.969  -2.545  -2.175
  807   2HG2  VAL 105          HG23      VAL 105 -16.238  -1.350  -2.449
  808   3HG2  VAL 105          HG22      VAL 105 -16.483  -3.026  -2.940
  809    HA   PRO  59           HA       PRO 106  11.925  16.067 -14.430
  810   1HB   PRO  59           HB2      PRO 106  14.490  14.688 -13.698
  811   2HB   PRO  59           HB1      PRO 106  13.517  14.550 -15.181
  812   1HG   PRO  59           HG2      PRO 106  15.781  15.940 -15.168
  813   2HG   PRO  59           HG1      PRO 106  14.363  16.512 -16.072
  814   1HD   PRO  59           HD2      PRO 106  15.452  17.505 -13.459
  815   2HD   PRO  59           HD1      PRO 106  14.693  18.418 -14.779
  816    H    ALA  60           HN       ALA 107  13.885  16.129 -11.449
  817    HA   ALA  60           HA       ALA 107  12.260  13.973 -10.246
  818   1HB   ALA  60           HB3      ALA 107  14.697  14.161  -9.762
  819   2HB   ALA  60           HB2      ALA 107  14.400  15.726  -9.005
  820   3HB   ALA  60           HB1      ALA 107  13.717  14.262  -8.300
  821    H    THR  61           HN       THR 108  10.411  14.394  -9.103
  822    HA   THR  61           HA       THR 108   9.954  17.213  -8.139
  823    HB   THR  61           HB       THR 108   7.585  16.851  -8.521
  824    HG1  THR  61           HG1      THR 108   7.548  14.654  -7.977
  825   1HG2  THR  61          HG23      THR 108   9.145  17.371 -10.530
  826   2HG2  THR  61          HG22      THR 108   8.882  15.691 -10.990
  827   3HG2  THR  61          HG21      THR 108   7.514  16.797 -10.883
  828    H    LEU  62           HN       LEU 109   8.714  17.371  -6.147
  829    HA   LEU  62           HA       LEU 109   9.531  15.553  -4.079
  830   1HB   LEU  62           HB2      LEU 109   7.380  17.688  -4.193
  831   2HB   LEU  62           HB1      LEU 109   7.768  16.805  -2.719
  832    HG   LEU  62           HG       LEU 109   9.758  18.424  -4.335
  833   1HD1  LEU  62          HD12      LEU 109   7.981  19.808  -3.258
  834   2HD1  LEU  62          HD11      LEU 109   8.409  19.102  -1.700
  835   3HD1  LEU  62          HD13      LEU 109   9.577  20.101  -2.571
  836   1HD2  LEU  62          HD21      LEU 109   9.937  16.716  -1.867
  837   2HD2  LEU  62          HD23      LEU 109  11.116  16.957  -3.156
  838   3HD2  LEU  62          HD22      LEU 109  10.907  18.187  -1.916
  839    H    LYS  63           HN       LYS 110   6.926  15.535  -6.321
  840    HA   LYS  63           HA       LYS 110   4.995  14.037  -4.879
  841   1HB   LYS  63           HB2      LYS 110   5.661  14.042  -7.829
  842   2HB   LYS  63           HB1      LYS 110   4.195  13.339  -7.140
  843   1HG   LYS  63           HG2      LYS 110   4.941  16.219  -6.616
  844   2HG   LYS  63           HG1      LYS 110   4.066  15.756  -8.070
  845   1HD   LYS  63           HD2      LYS 110   2.338  14.655  -6.595
  846   2HD   LYS  63           HD1      LYS 110   3.164  15.343  -5.196
  847   1HE   LYS  63           HE2      LYS 110   2.128  16.986  -7.523
  848   2HE   LYS  63           HE1      LYS 110   1.247  16.747  -6.014
  849   1HZ   LYS  63           HZ3      LYS 110   3.405  17.569  -4.930
  850   2HZ   LYS  63           HZ2      LYS 110   3.784  18.179  -6.471
  851   3HZ   LYS  63           HZ1      LYS 110   2.388  18.714  -5.661
  852    H    ILE  64           HN       ILE 111   8.009  13.075  -6.331
  853    HA   ILE  64           HA       ILE 111   7.489  10.229  -5.508
  854    HB   ILE  64           HB       ILE 111   8.909  11.253  -7.995
  855   1HG1  ILE  64          HG12      ILE 111   6.483  11.093  -8.262
  856   2HG1  ILE  64          HG11      ILE 111   7.268   9.812  -9.179
  857   1HG2  ILE  64          HG21      ILE 111   8.903   8.529  -6.697
  858   2HG2  ILE  64          HG23      ILE 111   9.189   8.724  -8.428
  859   3HG2  ILE  64          HG22      ILE 111  10.280   9.475  -7.265
  860   1HD1  ILE  64          HD13      ILE 111   6.888   8.458  -6.879
  861   2HD1  ILE  64          HD12      ILE 111   5.571   9.614  -6.727
  862   3HD1  ILE  64          HD11      ILE 111   5.653   8.542  -8.127
  863    H    CYS  65           HN       CYS 112   9.319   9.167  -4.574
  864    HA   CYS  65           HA       CYS 112  11.610  10.955  -3.861
  865   1HB   CYS  65           HB2      CYS 112  10.813   8.325  -2.552
  866   2HB   CYS  65           HB1      CYS 112  12.061   9.427  -1.997
  867    H    SER  66           HN       SER 113  13.545  10.491  -4.897
  868    HA   SER  66           HA       SER 113  13.668   8.243  -6.755
  869   1HB   SER  66           HB2      SER 113  15.758  10.258  -5.887
  870   2HB   SER  66           HB1      SER 113  15.977   9.090  -7.190
  871    HG   SER  66           HG       SER 113  15.164  10.770  -8.249
  872    H    TRP  67           HN       TRP 114  14.753   6.311  -6.520
  873    HA   TRP  67           HA       TRP 114  15.544   5.477  -3.847
  874   1HB   TRP  67           HB2      TRP 114  15.690   4.095  -6.536
  875   2HB   TRP  67           HB1      TRP 114  16.220   3.340  -5.030
  876    HD1  TRP  67           HD1      TRP 114  13.093   5.380  -6.034
  877    HE1  TRP  67           HE1      TRP 114  11.014   4.153  -5.164
  878    HE3  TRP  67           HE3      TRP 114  15.281   1.326  -3.846
  879    HZ2  TRP  67           HZ2      TRP 114  10.378   1.797  -3.699
  880    HZ3  TRP  67           HZ3      TRP 114  13.914  -0.389  -2.722
  881    HH2  TRP  67           HH2      TRP 114  11.450  -0.169  -2.660
  882    H    ASN  68           HN       ASN 115  17.103   7.140  -6.312
  883    HA   ASN  68           HA       ASN 115  19.718   6.119  -6.338
  884   1HB   ASN  68           HB2      ASN 115  18.727   8.982  -6.395
  885   2HB   ASN  68           HB1      ASN 115  20.406   8.533  -6.701
  886   1HD2  ASN  68          HD21      ASN 115  18.350   6.044  -7.811
  887   2HD2  ASN  68          HD22      ASN 115  18.285   6.496  -9.445
  888    H    VAL  69           HN       VAL 116  17.954   7.332  -3.681
  889    HA   VAL  69           HA       VAL 116  20.019   8.540  -2.122
  890    HB   VAL  69           HB       VAL 116  18.619   7.822  -0.145
  891   1HG1  VAL  69          HG13      VAL 116  18.199   9.907  -1.507
  892   2HG1  VAL  69          HG12      VAL 116  16.994   8.997  -2.418
  893   3HG1  VAL  69          HG11      VAL 116  16.771   9.277  -0.691
  894   1HG2  VAL  69          HG22      VAL 116  16.942   6.552  -2.338
  895   2HG2  VAL  69          HG21      VAL 116  17.801   5.686  -1.070
  896   3HG2  VAL  69          HG23      VAL 116  16.440   6.732  -0.660
  897    H    ASP  70           HN       ASP 117  21.659   7.665  -0.921
  898    HA   ASP  70           HA       ASP 117  22.629   5.061  -1.513
  899   1HB   ASP  70           HB2      ASP 117  23.253   6.963   0.763
  900   2HB   ASP  70           HB1      ASP 117  24.113   5.438   0.526
  901    H    GLY  71           HN       GLY 118  20.592   6.226   1.140
  902   1HA   GLY  71           HA2      GLY 118  19.354   5.016   2.728
  903   2HA   GLY  71           HA1      GLY 118  19.423   3.673   1.591
   
  No H/Q in entry =         903
  Start of MODEL   32
    1   1H    MET   1           HT1      MET   1  -8.900  -2.028   8.431
    2   2H    MET   1           HT3      MET   1  -8.575  -3.441   9.309
    3   3H    MET   1           HT2      MET   1  -9.779  -2.369   9.844
    4    HA   MET   1           HA       MET   1  -8.203  -0.720  10.421
    5   1HB   MET   1           HB2      MET   1  -7.268  -3.483  11.259
    6   2HB   MET   1           HB1      MET   1  -6.785  -1.980  12.043
    7   1HG   MET   1           HG2      MET   1  -9.657  -2.914  11.763
    8   2HG   MET   1           HG1      MET   1  -8.680  -3.118  13.215
    9   1HE   MET   1           HE1      MET   1 -10.623  -1.941  14.489
   10   2HE   MET   1           HE3      MET   1 -11.238  -0.321  14.129
   11   3HE   MET   1           HE2      MET   1 -11.512  -1.643  12.996
   12    H    VAL   2           HN       VAL   2  -5.644  -0.621  10.882
   13    HA   VAL   2           HA       VAL   2  -4.376  -0.894   8.192
   14    HB   VAL   2           HB       VAL   2  -3.598   0.689  10.662
   15   1HG1  VAL   2          HG13      VAL   2  -2.258   0.305   7.976
   16   2HG1  VAL   2          HG12      VAL   2  -1.969   1.740   8.959
   17   3HG1  VAL   2          HG11      VAL   2  -1.548   0.145   9.583
   18   1HG2  VAL   2          HG23      VAL   2  -4.743   1.422   7.951
   19   2HG2  VAL   2          HG22      VAL   2  -5.517   1.632   9.523
   20   3HG2  VAL   2          HG21      VAL   2  -4.108   2.603   9.096
   21    H    LYS   3           HN       LYS   3  -2.458  -2.093   7.915
   22    HA   LYS   3           HA       LYS   3  -1.401  -3.573  10.298
   23   1HB   LYS   3           HB2      LYS   3  -2.888  -5.025   8.872
   24   2HB   LYS   3           HB1      LYS   3  -1.822  -4.709   7.509
   25   1HG   LYS   3           HG2      LYS   3  -1.085  -6.798   8.382
   26   2HG   LYS   3           HG1      LYS   3   0.083  -5.624   8.978
   27   1HD   LYS   3           HD2      LYS   3  -0.864  -5.629  11.159
   28   2HD   LYS   3           HD1      LYS   3  -2.331  -6.434  10.608
   29   1HE   LYS   3           HE2      LYS   3   0.402  -7.722  10.452
   30   2HE   LYS   3           HE1      LYS   3  -0.669  -7.913  11.838
   31   1HZ   LYS   3           HZ3      LYS   3  -1.342  -8.611   9.032
   32   2HZ   LYS   3           HZ2      LYS   3  -0.937  -9.716  10.257
   33   3HZ   LYS   3           HZ1      LYS   3  -2.363  -8.798  10.373
   34    H    GLN   4           HN       GLN   4   0.797  -3.361  10.452
   35    HA   GLN   4           HA       GLN   4   2.244  -2.082   8.176
   36   1HB   GLN   4           HB2      GLN   4   2.439  -1.064  10.440
   37   2HB   GLN   4           HB1      GLN   4   3.129  -2.571  11.039
   38   1HG   GLN   4           HG2      GLN   4   4.991  -2.355   9.405
   39   2HG   GLN   4           HG1      GLN   4   4.311  -0.818   8.861
   40   1HE2  GLN   4          HE22      GLN   4   6.503   0.601  11.292
   41   2HE2  GLN   4          HE21      GLN   4   6.253   0.343   9.633
   42    H    ILE   5           HN       ILE   5   3.481  -3.356   6.891
   43    HA   ILE   5           HA       ILE   5   4.186  -6.110   7.816
   44    HB   ILE   5           HB       ILE   5   4.470  -4.918   5.052
   45   1HG1  ILE   5          HG12      ILE   5   2.125  -4.763   5.582
   46   2HG1  ILE   5          HG11      ILE   5   2.344  -6.185   4.563
   47   1HG2  ILE   5          HG22      ILE   5   5.716  -7.047   5.758
   48   2HG2  ILE   5          HG21      ILE   5   4.127  -7.810   5.831
   49   3HG2  ILE   5          HG23      ILE   5   4.715  -7.134   4.318
   50   1HD1  ILE   5          HD11      ILE   5   2.547  -7.513   6.767
   51   2HD1  ILE   5          HD13      ILE   5   1.873  -6.079   7.540
   52   3HD1  ILE   5          HD12      ILE   5   0.942  -6.939   6.317
   53    H    GLU   6           HN       GLU   6   6.193  -6.188   8.746
   54    HA   GLU   6           HA       GLU   6   8.289  -4.295   7.788
   55   1HB   GLU   6           HB2      GLU   6   8.288  -6.158  10.180
   56   2HB   GLU   6           HB1      GLU   6   9.544  -4.983   9.780
   57   1HG   GLU   6           HG2      GLU   6   6.655  -4.206  10.230
   58   2HG   GLU   6           HG1      GLU   6   7.867  -4.197  11.510
   59    H    SER   7           HN       SER   7   7.202  -7.329   7.011
   60    HA   SER   7           HA       SER   7   9.805  -7.982   5.772
   61   1HB   SER   7           HB2      SER   7   9.870 -10.266   6.711
   62   2HB   SER   7           HB1      SER   7  10.006  -9.044   7.975
   63    HG   SER   7           HG       SER   7   7.483 -10.026   7.211
   64    H    LYS   8           HN       LYS   8   9.660  -9.620   4.141
   65    HA   LYS   8           HA       LYS   8   7.227  -9.635   2.616
   66   1HB   LYS   8           HB2      LYS   8   9.610 -10.092   1.771
   67   2HB   LYS   8           HB1      LYS   8   9.413 -11.707   2.453
   68   1HG   LYS   8           HG2      LYS   8   7.419 -12.073   1.065
   69   2HG   LYS   8           HG1      LYS   8   7.593 -10.457   0.382
   70   1HD   LYS   8           HD2      LYS   8   8.541 -12.158  -1.137
   71   2HD   LYS   8           HD1      LYS   8   9.795 -11.073  -0.545
   72   1HE   LYS   8           HE2      LYS   8  10.740 -12.702   0.834
   73   2HE   LYS   8           HE1      LYS   8   9.242 -13.628   0.946
   74   1HZ   LYS   8           HZ2      LYS   8   9.794 -13.669  -1.700
   75   2HZ   LYS   8           HZ1      LYS   8  11.343 -13.761  -1.006
   76   3HZ   LYS   8           HZ3      LYS   8  10.166 -14.911  -0.602
   77    H    THR   9           HN       THR   9   8.554 -11.741   5.096
   78    HA   THR   9           HA       THR   9   6.892 -14.001   4.681
   79    HB   THR   9           HB       THR   9   7.821 -12.906   7.349
   80    HG1  THR   9           HG1      THR   9   9.057 -14.551   5.404
   81   1HG2  THR   9          HG23      THR   9   6.934 -15.641   6.405
   82   2HG2  THR   9          HG22      THR   9   7.759 -15.363   7.939
   83   3HG2  THR   9          HG21      THR   9   6.176 -14.642   7.646
   84    H    ALA  10           HN       ALA  10   6.382 -11.134   6.717
   85    HA   ALA  10           HA       ALA  10   3.714 -11.898   7.489
   86   1HB   ALA  10           HB1      ALA  10   5.111  -9.205   7.452
   87   2HB   ALA  10           HB3      ALA  10   3.509  -9.466   8.140
   88   3HB   ALA  10           HB2      ALA  10   4.913 -10.274   8.840
   89    H    PHE  11           HN       PHE  11   5.076 -10.230   4.726
   90    HA   PHE  11           HA       PHE  11   2.718  -8.952   3.770
   91   1HB   PHE  11           HB2      PHE  11   5.085  -8.744   2.819
   92   2HB   PHE  11           HB1      PHE  11   4.828 -10.294   2.043
   93    HD1  PHE  11           HD1      PHE  11   3.026  -7.028   2.480
   94    HD2  PHE  11           HD2      PHE  11   4.029 -10.271  -0.151
   95    HE1  PHE  11           HE1      PHE  11   1.819  -5.903   0.638
   96    HE2  PHE  11           HE2      PHE  11   2.812  -9.149  -1.996
   97    HZ   PHE  11           HZ       PHE  11   1.711  -6.967  -1.600
   98    H    GLN  12           HN       GLN  12   4.004 -12.204   3.261
   99    HA   GLN  12           HA       GLN  12   1.901 -13.125   1.523
  100   1HB   GLN  12           HB2      GLN  12   3.744 -14.621   3.424
  101   2HB   GLN  12           HB1      GLN  12   2.753 -15.386   2.181
  102   1HG   GLN  12           HG2      GLN  12   4.875 -13.280   1.657
  103   2HG   GLN  12           HG1      GLN  12   5.101 -15.015   1.435
  104   1HE2  GLN  12          HE22      GLN  12   2.501 -14.986  -1.256
  105   2HE2  GLN  12          HE21      GLN  12   2.675 -15.772   0.238
  106    H    GLU  13           HN       GLU  13   2.409 -13.294   5.035
  107    HA   GLU  13           HA       GLU  13   0.074 -14.839   5.640
  108   1HB   GLU  13           HB2      GLU  13   1.615 -12.830   7.312
  109   2HB   GLU  13           HB1      GLU  13   0.415 -13.940   7.953
  110   1HG   GLU  13           HG2      GLU  13   2.896 -14.805   6.448
  111   2HG   GLU  13           HG1      GLU  13   2.756 -14.788   8.206
  112    H    ALA  14           HN       ALA  14   0.613 -11.365   5.321
  113    HA   ALA  14           HA       ALA  14  -1.970 -10.584   6.304
  114   1HB   ALA  14           HB3      ALA  14   0.137  -9.129   5.940
  115   2HB   ALA  14           HB2      ALA  14  -0.373  -9.040   4.256
  116   3HB   ALA  14           HB1      ALA  14  -1.420  -8.411   5.529
  117    H    LEU  15           HN       LEU  15  -0.705 -11.250   3.034
  118    HA   LEU  15           HA       LEU  15  -3.083 -10.590   1.613
  119   1HB   LEU  15           HB2      LEU  15  -0.879 -12.584   1.023
  120   2HB   LEU  15           HB1      LEU  15  -2.168 -12.211  -0.120
  121    HG   LEU  15           HG       LEU  15  -0.386 -10.084   1.091
  122   1HD1  LEU  15          HD12      LEU  15  -0.001 -11.790  -1.370
  123   2HD1  LEU  15          HD11      LEU  15   0.713 -10.181  -1.254
  124   3HD1  LEU  15          HD13      LEU  15   1.158 -11.428  -0.090
  125   1HD2  LEU  15          HD22      LEU  15  -2.401 -10.187  -1.155
  126   2HD2  LEU  15          HD21      LEU  15  -2.277  -9.026   0.161
  127   3HD2  LEU  15          HD23      LEU  15  -1.122  -8.974  -1.165
  128    H    ASP  16           HN       ASP  16  -1.995 -13.568   3.165
  129    HA   ASP  16           HA       ASP  16  -4.215 -15.159   2.276
  130   1HB   ASP  16           HB2      ASP  16  -1.978 -15.997   3.180
  131   2HB   ASP  16           HB1      ASP  16  -2.597 -15.620   4.791
  132    H    ALA  17           HN       ALA  17  -3.654 -13.133   5.114
  133    HA   ALA  17           HA       ALA  17  -5.981 -14.010   6.570
  134   1HB   ALA  17           HB1      ALA  17  -4.441 -11.408   6.758
  135   2HB   ALA  17           HB3      ALA  17  -5.609 -11.991   7.943
  136   3HB   ALA  17           HB2      ALA  17  -4.106 -12.874   7.678
  137    H    ALA  18           HN       ALA  18  -5.443 -11.377   4.254
  138    HA   ALA  18           HA       ALA  18  -7.936 -10.038   4.635
  139   1HB   ALA  18           HB1      ALA  18  -6.204 -10.301   2.163
  140   2HB   ALA  18           HB3      ALA  18  -7.557  -9.179   2.315
  141   3HB   ALA  18           HB2      ALA  18  -6.144  -9.004   3.356
  142    H    GLY  19           HN       GLY  19  -7.057 -12.891   2.772
  143   1HA   GLY  19           HA2      GLY  19  -8.426 -14.516   1.780
  144   2HA   GLY  19           HA1      GLY  19  -9.789 -13.784   2.629
  145    H    ASP  20           HN       ASP  20 -11.332 -13.162   1.203
  146    HA   ASP  20           HA       ASP  20 -10.602 -12.502  -1.581
  147   1HB   ASP  20           HB2      ASP  20 -13.307 -12.691  -0.225
  148   2HB   ASP  20           HB1      ASP  20 -13.030 -12.517  -1.959
  149    H    LYS  21           HN       LYS  21 -10.711 -10.723   1.204
  150    HA   LYS  21           HA       LYS  21 -12.242  -8.430   0.289
  151   1HB   LYS  21           HB2      LYS  21 -10.217  -8.756   2.522
  152   2HB   LYS  21           HB1      LYS  21 -11.159  -7.291   2.251
  153   1HG   LYS  21           HG2      LYS  21 -13.237  -8.809   2.358
  154   2HG   LYS  21           HG1      LYS  21 -12.162 -10.042   3.013
  155   1HD   LYS  21           HD2      LYS  21 -12.347  -7.273   4.215
  156   2HD   LYS  21           HD1      LYS  21 -13.408  -8.587   4.714
  157   1HE   LYS  21           HE2      LYS  21 -11.403  -9.966   5.254
  158   2HE   LYS  21           HE1      LYS  21 -10.377  -8.596   4.839
  159   1HZ   LYS  21           HZ1      LYS  21 -12.090  -7.463   6.540
  160   2HZ   LYS  21           HZ3      LYS  21 -12.018  -9.030   7.186
  161   3HZ   LYS  21           HZ2      LYS  21 -10.595  -8.120   7.003
  162    H    LEU  22           HN       LEU  22 -11.404  -6.398  -0.437
  163    HA   LEU  22           HA       LEU  22  -9.216  -6.548  -2.238
  164   1HB   LEU  22           HB2      LEU  22 -11.260  -4.756  -1.744
  165   2HB   LEU  22           HB1      LEU  22  -9.870  -3.866  -1.147
  166    HG   LEU  22           HG       LEU  22 -10.222  -4.996  -3.929
  167   1HD1  LEU  22          HD13      LEU  22 -10.664  -2.336  -2.685
  168   2HD1  LEU  22          HD12      LEU  22  -9.699  -2.285  -4.153
  169   3HD1  LEU  22          HD11      LEU  22 -11.305  -3.003  -4.183
  170   1HD2  LEU  22          HD21      LEU  22  -7.835  -3.792  -2.529
  171   2HD2  LEU  22          HD23      LEU  22  -7.903  -5.215  -3.572
  172   3HD2  LEU  22          HD22      LEU  22  -8.030  -3.606  -4.271
  173    H    VAL  23           HN       VAL  23  -7.084  -5.535  -2.009
  174    HA   VAL  23           HA       VAL  23  -6.218  -4.897   0.759
  175    HB   VAL  23           HB       VAL  23  -4.936  -7.006  -1.012
  176   1HG1  VAL  23          HG12      VAL  23  -4.048  -5.644   1.530
  177   2HG1  VAL  23          HG11      VAL  23  -3.457  -7.247   1.101
  178   3HG1  VAL  23          HG13      VAL  23  -3.141  -5.877   0.038
  179   1HG2  VAL  23          HG22      VAL  23  -6.272  -7.181   1.704
  180   2HG2  VAL  23          HG21      VAL  23  -6.895  -7.847   0.196
  181   3HG2  VAL  23          HG23      VAL  23  -5.423  -8.502   0.909
  182    H    VAL  24           HN       VAL  24  -5.267  -2.957   0.514
  183    HA   VAL  24           HA       VAL  24  -3.809  -2.369  -2.032
  184    HB   VAL  24           HB       VAL  24  -4.779  -0.448   0.125
  185   1HG1  VAL  24          HG12      VAL  24  -2.808   0.260  -1.307
  186   2HG1  VAL  24          HG11      VAL  24  -3.863   0.105  -2.711
  187   3HG1  VAL  24          HG13      VAL  24  -4.232   1.288  -1.458
  188   1HG2  VAL  24          HG23      VAL  24  -5.961  -1.297  -2.528
  189   2HG2  VAL  24          HG22      VAL  24  -6.714  -1.394  -0.939
  190   3HG2  VAL  24          HG21      VAL  24  -6.446   0.178  -1.693
  191    H    VAL  25           HN       VAL  25  -1.588  -1.786  -1.907
  192    HA   VAL  25           HA       VAL  25  -0.338  -1.945   0.831
  193    HB   VAL  25           HB       VAL  25   0.903  -2.926  -1.756
  194   1HG1  VAL  25          HG13      VAL  25   2.387  -2.205   0.187
  195   2HG1  VAL  25          HG12      VAL  25   1.660  -3.518   1.111
  196   3HG1  VAL  25          HG11      VAL  25   2.591  -3.874  -0.341
  197   1HG2  VAL  25          HG22      VAL  25  -1.130  -4.245  -1.048
  198   2HG2  VAL  25          HG21      VAL  25   0.366  -5.170  -1.039
  199   3HG2  VAL  25          HG23      VAL  25  -0.309  -4.576   0.474
  200    H    ASP  26           HN       ASP  26   0.704  -0.106   1.340
  201    HA   ASP  26           HA       ASP  26   1.485   1.768  -0.858
  202   1HB   ASP  26           HB2      ASP  26   0.056   2.702   0.920
  203   2HB   ASP  26           HB1      ASP  26   1.258   2.251   2.132
  204    H    PHE  27           HN       PHE  27   3.580   1.761  -1.457
  205    HA   PHE  27           HA       PHE  27   5.660   0.679   0.384
  206   1HB   PHE  27           HB2      PHE  27   5.627   1.259  -2.587
  207   2HB   PHE  27           HB1      PHE  27   7.108   0.848  -1.711
  208    HD1  PHE  27           HD1      PHE  27   7.280  -1.332  -0.509
  209    HD2  PHE  27           HD2      PHE  27   4.020  -0.419  -3.148
  210    HE1  PHE  27           HE1      PHE  27   6.736  -3.747  -0.672
  211    HE2  PHE  27           HE2      PHE  27   3.476  -2.830  -3.304
  212    HZ   PHE  27           HZ       PHE  27   4.828  -4.495  -2.069
  213    H    SER  28           HN       SER  28   4.428   3.440   0.599
  214    HA   SER  28           HA       SER  28   6.263   5.386  -0.342
  215   1HB   SER  28           HB2      SER  28   4.627   5.432   2.211
  216   2HB   SER  28           HB1      SER  28   5.367   6.832   1.443
  217    HG   SER  28           HG       SER  28   3.679   5.152  -0.045
  218    H    ALA  29           HN       ALA  29   8.091   6.337   0.588
  219    HA   ALA  29           HA       ALA  29   9.594   4.590   2.418
  220   1HB   ALA  29           HB3      ALA  29  10.199   7.018   0.750
  221   2HB   ALA  29           HB2      ALA  29  11.253   6.685   2.126
  222   3HB   ALA  29           HB1      ALA  29  11.068   5.487   0.842
  223    H    THR  30           HN       THR  30   9.596   4.895   4.598
  224    HA   THR  30           HA       THR  30   7.985   6.972   5.769
  225    HB   THR  30           HB       THR  30   8.367   4.813   6.914
  226    HG1  THR  30           HG1      THR  30   9.674   6.492   8.645
  227   1HG2  THR  30          HG21      THR  30  10.761   4.615   6.101
  228   2HG2  THR  30          HG23      THR  30  11.204   5.766   7.361
  229   3HG2  THR  30          HG22      THR  30  10.514   4.203   7.798
  230    H    TRP  31           HN       TRP  31  11.435   6.577   5.122
  231    HA   TRP  31           HA       TRP  31  12.276   8.904   6.624
  232   1HB   TRP  31           HB2      TRP  31  14.377   8.674   5.419
  233   2HB   TRP  31           HB1      TRP  31  13.812   7.088   5.937
  234    HD1  TRP  31           HD1      TRP  31  13.299   5.349   4.163
  235    HE1  TRP  31           HE1      TRP  31  13.500   5.258   1.593
  236    HE3  TRP  31           HE3      TRP  31  14.023  10.293   3.178
  237    HZ2  TRP  31           HZ2      TRP  31  13.881   7.061  -0.591
  238    HZ3  TRP  31           HZ3      TRP  31  14.281  11.088   0.845
  239    HH2  TRP  31           HH2      TRP  31  14.212   9.478  -1.041
  240    H    CYS  32           HN       CYS  32  10.827   8.487   3.483
  241    HA   CYS  32           HA       CYS  32  11.694  11.148   2.550
  242   1HB   CYS  32           HB2      CYS  32  11.279   9.083   1.046
  243   2HB   CYS  32           HB1      CYS  32   9.566   9.385   1.296
  244    H    GLY  33           HN       GLY  33  10.786  12.781   3.673
  245   1HA   GLY  33           HA2      GLY  33   8.355  12.684   5.104
  246   2HA   GLY  33           HA1      GLY  33   9.149  14.170   4.594
  247    HA   PRO  34           HA       PRO  34   6.362  14.970   1.243
  248   1HB   PRO  34           HB2      PRO  34   7.802  13.418  -0.860
  249   2HB   PRO  34           HB1      PRO  34   7.334  15.127  -0.842
  250   1HG   PRO  34           HG2      PRO  34   9.912  14.313  -0.500
  251   2HG   PRO  34           HG1      PRO  34   9.268  15.789   0.238
  252   1HD   PRO  34           HD2      PRO  34   9.959  13.205   1.522
  253   2HD   PRO  34           HD1      PRO  34   9.867  14.825   2.254
  254    H    ALA  35           HN       ALA  35   7.513  11.612   1.149
  255    HA   ALA  35           HA       ALA  35   5.019  10.598   0.035
  256   1HB   ALA  35           HB3      ALA  35   7.466   9.596  -0.042
  257   2HB   ALA  35           HB2      ALA  35   6.988   8.841   1.478
  258   3HB   ALA  35           HB1      ALA  35   6.070   8.521   0.004
  259    H    LYS  36           HN       LYS  36   6.564  10.440   3.263
  260    HA   LYS  36           HA       LYS  36   4.436   9.060   4.559
  261   1HB   LYS  36           HB2      LYS  36   6.736   9.496   5.525
  262   2HB   LYS  36           HB1      LYS  36   6.218  11.152   5.839
  263   1HG   LYS  36           HG2      LYS  36   4.272  10.208   7.145
  264   2HG   LYS  36           HG1      LYS  36   5.003   8.613   6.963
  265   1HD   LYS  36           HD2      LYS  36   7.076   9.487   8.053
  266   2HD   LYS  36           HD1      LYS  36   6.247  11.020   8.323
  267   1HE   LYS  36           HE2      LYS  36   4.525   9.870   9.656
  268   2HE   LYS  36           HE1      LYS  36   5.330   8.326   9.380
  269   1HZ   LYS  36           HZ1      LYS  36   6.770  10.613  10.574
  270   2HZ   LYS  36           HZ3      LYS  36   5.832   9.575  11.535
  271   3HZ   LYS  36           HZ2      LYS  36   7.150   8.958  10.656
  272    H    MET  37           HN       MET  37   4.873  12.440   3.740
  273    HA   MET  37           HA       MET  37   2.867  13.554   5.414
  274   1HB   MET  37           HB2      MET  37   4.540  14.832   4.000
  275   2HB   MET  37           HB1      MET  37   3.536  14.466   2.600
  276   1HG   MET  37           HG2      MET  37   2.374  15.791   5.057
  277   2HG   MET  37           HG1      MET  37   3.140  16.735   3.782
  278   1HE   MET  37           HE2      MET  37   2.771  16.319   1.412
  279   2HE   MET  37           HE1      MET  37   1.172  16.206   0.681
  280   3HE   MET  37           HE3      MET  37   1.608  17.620   1.652
  281    H    ILE  38           HN       ILE  38   2.654  11.782   2.411
  282    HA   ILE  38           HA       ILE  38  -0.153  12.424   1.942
  283    HB   ILE  38           HB       ILE  38   1.403  10.161   0.673
  284   1HG1  ILE  38          HG12      ILE  38   1.280  12.999  -0.375
  285   2HG1  ILE  38          HG11      ILE  38   2.613  12.437   0.622
  286   1HG2  ILE  38          HG21      ILE  38  -0.948  11.878  -0.168
  287   2HG2  ILE  38          HG23      ILE  38  -0.073  10.822  -1.273
  288   3HG2  ILE  38          HG22      ILE  38  -0.930  10.136   0.104
  289   1HD1  ILE  38          HD11      ILE  38   2.940  10.558  -0.987
  290   2HD1  ILE  38          HD13      ILE  38   1.746  11.317  -2.031
  291   3HD1  ILE  38          HD12      ILE  38   3.256  12.152  -1.657
  292    H    LYS  39           HN       LYS  39   1.378  10.255   4.075
  293    HA   LYS  39           HA       LYS  39  -0.305   8.011   3.723
  294   1HB   LYS  39           HB2      LYS  39   0.445   7.108   5.723
  295   2HB   LYS  39           HB1      LYS  39   1.802   8.072   5.173
  296   1HG   LYS  39           HG2      LYS  39   1.161   9.880   6.730
  297   2HG   LYS  39           HG1      LYS  39  -0.218   8.947   7.282
  298   1HD   LYS  39           HD2      LYS  39   2.716   8.489   7.789
  299   2HD   LYS  39           HD1      LYS  39   1.388   8.567   8.942
  300   1HE   LYS  39           HE2      LYS  39   0.534   6.394   7.911
  301   2HE   LYS  39           HE1      LYS  39   2.085   6.292   7.069
  302   1HZ   LYS  39           HZ1      LYS  39   2.376   6.882   9.851
  303   2HZ   LYS  39           HZ3      LYS  39   1.572   5.412   9.592
  304   3HZ   LYS  39           HZ2      LYS  39   3.112   5.668   8.919
  305    HA   PRO  40           HA       PRO  40  -3.214   9.976   7.133
  306   1HB   PRO  40           HB2      PRO  40  -3.728  12.529   5.675
  307   2HB   PRO  40           HB1      PRO  40  -3.574  12.239   7.419
  308   1HG   PRO  40           HG2      PRO  40  -1.634  13.490   6.066
  309   2HG   PRO  40           HG1      PRO  40  -1.244  12.350   7.363
  310   1HD   PRO  40           HD2      PRO  40  -1.120  11.947   4.405
  311   2HD   PRO  40           HD1      PRO  40   0.004  11.359   5.644
  312    H    PHE  41           HN       PHE  41  -3.444  10.775   3.647
  313    HA   PHE  41           HA       PHE  41  -6.294  10.292   3.509
  314   1HB   PHE  41           HB2      PHE  41  -4.103  10.171   1.409
  315   2HB   PHE  41           HB1      PHE  41  -5.815   9.991   1.053
  316    HD1  PHE  41           HD2      PHE  41  -3.381  12.300   2.665
  317    HD2  PHE  41           HD1      PHE  41  -7.167  11.867   0.684
  318    HE1  PHE  41           HE2      PHE  41  -3.621  14.768   2.595
  319    HE2  PHE  41           HE1      PHE  41  -7.414  14.339   0.622
  320    HZ   PHE  41           HZ       PHE  41  -5.638  15.787   1.574
  321    H    PHE  42           HN       PHE  42  -3.423   8.353   2.750
  322    HA   PHE  42           HA       PHE  42  -4.768   5.943   2.037
  323   1HB   PHE  42           HB2      PHE  42  -2.398   6.362   1.546
  324   2HB   PHE  42           HB1      PHE  42  -2.020   6.377   3.271
  325    HD1  PHE  42           HD1      PHE  42  -3.258   4.227   0.482
  326    HD2  PHE  42           HD2      PHE  42  -1.716   4.354   4.492
  327    HE1  PHE  42           HE1      PHE  42  -3.009   1.760   0.472
  328    HE2  PHE  42           HE2      PHE  42  -1.468   1.890   4.474
  329    HZ   PHE  42           HZ       PHE  42  -2.118   0.590   2.468
  330    H    HIS  43           HN       HIS  43  -3.335   6.919   5.156
  331    HA   HIS  43           HA       HIS  43  -4.276   4.629   6.603
  332   1HB   HIS  43           HB2      HIS  43  -2.372   5.996   7.355
  333   2HB   HIS  43           HB1      HIS  43  -3.439   7.377   7.590
  334    HD1  HIS  43           HD1      HIS  43  -2.332   4.205   9.173
  335    HD2  HIS  43           HD2      HIS  43  -5.275   7.081   9.779
  336    HE1  HIS  43           HE1      HIS  43  -3.324   3.740  11.459
  337    H    SER  44           HN       SER  44  -5.609   7.917   6.188
  338    HA   SER  44           HA       SER  44  -7.757   7.644   8.045
  339   1HB   SER  44           HB2      SER  44  -7.607   9.327   5.531
  340   2HB   SER  44           HB1      SER  44  -8.853   9.474   6.765
  341    HG   SER  44           HG       SER  44  -6.541   9.483   8.015
  342    H    LEU  45           HN       LEU  45  -7.539   6.809   4.599
  343    HA   LEU  45           HA       LEU  45 -10.297   6.218   4.210
  344   1HB   LEU  45           HB2      LEU  45  -7.821   5.199   2.830
  345   2HB   LEU  45           HB1      LEU  45  -9.437   4.772   2.301
  346    HG   LEU  45           HG       LEU  45  -8.658   7.672   2.677
  347   1HD1  LEU  45          HD11      LEU  45  -8.245   5.948   0.214
  348   2HD1  LEU  45          HD13      LEU  45  -8.148   7.708   0.225
  349   3HD1  LEU  45          HD12      LEU  45  -6.986   6.755   1.149
  350   1HD2  LEU  45          HD22      LEU  45 -10.760   6.180   1.084
  351   2HD2  LEU  45          HD21      LEU  45 -11.015   7.356   2.368
  352   3HD2  LEU  45          HD23      LEU  45 -10.392   7.878   0.808
  353    H    SER  46           HN       SER  46  -7.798   4.373   5.782
  354    HA   SER  46           HA       SER  46  -8.794   1.761   5.482
  355   1HB   SER  46           HB2      SER  46  -7.651   3.003   8.002
  356   2HB   SER  46           HB1      SER  46  -7.779   1.279   7.680
  357    HG   SER  46           HG       SER  46  -5.941   3.091   6.813
  358    H    GLU  47           HN       GLU  47  -9.903   4.371   7.580
  359    HA   GLU  47           HA       GLU  47 -11.980   2.647   8.770
  360   1HB   GLU  47           HB2      GLU  47 -11.293   5.592   9.058
  361   2HB   GLU  47           HB1      GLU  47 -12.647   4.828   9.886
  362   1HG   GLU  47           HG2      GLU  47 -10.859   4.778  11.452
  363   2HG   GLU  47           HG1      GLU  47 -10.937   3.144  10.797
  364    H    LYS  48           HN       LYS  48 -11.600   4.632   5.969
  365    HA   LYS  48           HA       LYS  48 -14.442   5.350   5.784
  366   1HB   LYS  48           HB2      LYS  48 -12.629   6.715   4.673
  367   2HB   LYS  48           HB1      LYS  48 -12.372   5.363   3.565
  368   1HG   LYS  48           HG2      LYS  48 -14.815   5.482   2.961
  369   2HG   LYS  48           HG1      LYS  48 -14.926   6.955   3.922
  370   1HD   LYS  48           HD2      LYS  48 -13.263   8.042   2.498
  371   2HD   LYS  48           HD1      LYS  48 -13.064   6.556   1.568
  372   1HE   LYS  48           HE2      LYS  48 -14.590   8.050   0.372
  373   2HE   LYS  48           HE1      LYS  48 -15.483   6.647   0.961
  374   1HZ   LYS  48           HZ3      LYS  48 -15.421   8.685   2.926
  375   2HZ   LYS  48           HZ2      LYS  48 -16.034   9.302   1.469
  376   3HZ   LYS  48           HZ1      LYS  48 -16.759   7.948   2.194
  377    H    TYR  49           HN       TYR  49 -12.223   2.924   4.532
  378    HA   TYR  49           HA       TYR  49 -14.590   1.317   3.577
  379   1HB   TYR  49           HB2      TYR  49 -11.762   1.380   2.447
  380   2HB   TYR  49           HB1      TYR  49 -13.041   0.284   1.927
  381    HD1  TYR  49           HD2      TYR  49 -15.306   1.409   1.223
  382    HD2  TYR  49           HD1      TYR  49 -11.528   3.456   1.347
  383    HE1  TYR  49           HE2      TYR  49 -16.190   3.137  -0.319
  384    HE2  TYR  49           HE1      TYR  49 -12.420   5.182  -0.199
  385    HH   TYR  49           HH       TYR  49 -15.183   4.790  -1.998
  386    H    SER  50           HN       SER  50 -14.366   0.844   6.006
  387    HA   SER  50           HA       SER  50 -12.151  -0.638   7.008
  388   1HB   SER  50           HB2      SER  50 -13.588  -1.166   8.865
  389   2HB   SER  50           HB1      SER  50 -13.969   0.470   8.364
  390    HG   SER  50           HG       SER  50 -15.924  -0.351   8.329
  391    H    ASN  51           HN       ASN  51 -14.424  -1.418   4.661
  392    HA   ASN  51           HA       ASN  51 -14.409  -4.324   5.205
  393   1HB   ASN  51           HB2      ASN  51 -16.427  -3.087   4.242
  394   2HB   ASN  51           HB1      ASN  51 -15.487  -2.895   2.762
  395   1HD2  ASN  51          HD22      ASN  51 -16.203  -6.150   1.650
  396   2HD2  ASN  51          HD21      ASN  51 -15.662  -4.584   1.279
  397    H    VAL  52           HN       VAL  52 -12.184  -2.256   4.188
  398    HA   VAL  52           HA       VAL  52 -10.978  -4.179   2.248
  399    HB   VAL  52           HB       VAL  52 -10.998  -1.149   2.146
  400   1HG1  VAL  52          HG13      VAL  52  -9.119  -3.153   0.909
  401   2HG1  VAL  52          HG12      VAL  52  -9.499  -1.661   0.045
  402   3HG1  VAL  52          HG11      VAL  52  -8.753  -1.594   1.641
  403   1HG2  VAL  52          HG23      VAL  52 -11.875  -3.359   0.265
  404   2HG2  VAL  52          HG22      VAL  52 -12.889  -2.135   1.028
  405   3HG2  VAL  52          HG21      VAL  52 -11.741  -1.672  -0.227
  406    H    ILE  53           HN       ILE  53  -8.739  -4.555   2.591
  407    HA   ILE  53           HA       ILE  53  -7.756  -3.589   5.258
  408    HB   ILE  53           HB       ILE  53  -6.554  -5.724   3.477
  409   1HG1  ILE  53          HG12      ILE  53  -8.842  -6.401   3.957
  410   2HG1  ILE  53          HG11      ILE  53  -7.758  -7.344   4.974
  411   1HG2  ILE  53          HG21      ILE  53  -5.347  -4.561   5.538
  412   2HG2  ILE  53          HG23      ILE  53  -6.362  -5.641   6.480
  413   3HG2  ILE  53          HG22      ILE  53  -5.227  -6.301   5.306
  414   1HD1  ILE  53          HD13      ILE  53  -8.174  -5.442   6.736
  415   2HD1  ILE  53          HD12      ILE  53  -9.597  -5.095   5.755
  416   3HD1  ILE  53          HD11      ILE  53  -9.402  -6.683   6.497
  417    H    PHE  54           HN       PHE  54  -6.317  -1.898   5.242
  418    HA   PHE  54           HA       PHE  54  -4.761  -1.336   2.740
  419   1HB   PHE  54           HB2      PHE  54  -5.331   0.368   5.187
  420   2HB   PHE  54           HB1      PHE  54  -4.286   0.864   3.860
  421    HD1  PHE  54           HD1      PHE  54  -7.738  -0.390   4.556
  422    HD2  PHE  54           HD2      PHE  54  -5.225   1.968   1.996
  423    HE1  PHE  54           HE1      PHE  54  -9.736   0.408   3.329
  424    HE2  PHE  54           HE2      PHE  54  -7.227   2.750   0.750
  425    HZ   PHE  54           HZ       PHE  54  -9.480   1.967   1.420
  426    H    LEU  55           HN       LEU  55  -2.604  -1.886   2.739
  427    HA   LEU  55           HA       LEU  55  -1.272  -2.414   5.379
  428   1HB   LEU  55           HB2      LEU  55  -0.664  -3.481   2.605
  429   2HB   LEU  55           HB1      LEU  55   0.450  -3.656   3.960
  430    HG   LEU  55           HG       LEU  55  -1.239  -4.906   5.216
  431   1HD1  LEU  55          HD11      LEU  55  -2.985  -4.102   2.909
  432   2HD1  LEU  55          HD13      LEU  55  -3.313  -5.622   3.746
  433   3HD1  LEU  55          HD12      LEU  55  -3.323  -4.111   4.637
  434   1HD2  LEU  55          HD21      LEU  55  -0.669  -5.829   2.396
  435   2HD2  LEU  55          HD23      LEU  55   0.139  -6.304   3.887
  436   3HD2  LEU  55          HD22      LEU  55  -1.500  -6.859   3.561
  437    H    GLU  56           HN       GLU  56   0.590  -1.383   5.876
  438    HA   GLU  56           HA       GLU  56   1.534   0.746   3.987
  439   1HB   GLU  56           HB2      GLU  56   0.657   1.442   6.292
  440   2HB   GLU  56           HB1      GLU  56   2.037   0.581   6.978
  441   1HG   GLU  56           HG2      GLU  56   3.548   1.975   5.533
  442   2HG   GLU  56           HG1      GLU  56   2.137   2.915   5.043
  443    H    VAL  57           HN       VAL  57   3.621   0.479   3.230
  444    HA   VAL  57           HA       VAL  57   5.327  -1.602   4.575
  445    HB   VAL  57           HB       VAL  57   5.005  -1.187   1.593
  446   1HG1  VAL  57          HG13      VAL  57   6.555  -3.142   3.293
  447   2HG1  VAL  57          HG12      VAL  57   6.241  -3.399   1.580
  448   3HG1  VAL  57          HG11      VAL  57   7.201  -2.015   2.099
  449   1HG2  VAL  57          HG22      VAL  57   3.902  -3.275   3.486
  450   2HG2  VAL  57          HG21      VAL  57   2.983  -2.166   2.470
  451   3HG2  VAL  57          HG23      VAL  57   3.927  -3.462   1.733
  452    H    ASP  58           HN       ASP  58   7.397  -0.997   4.925
  453    HA   ASP  58           HA       ASP  58   8.314   1.676   3.991
  454   1HB   ASP  58           HB2      ASP  58   8.426   0.912   6.422
  455   2HB   ASP  58           HB1      ASP  58   9.655  -0.247   5.898
  456    H    VAL  59           HN       VAL  59   9.568   1.677   2.129
  457    HA   VAL  59           HA       VAL  59  10.654  -0.782   1.044
  458    HB   VAL  59           HB       VAL  59  11.852   0.719  -0.528
  459   1HG1  VAL  59          HG12      VAL  59   8.948   1.373   0.034
  460   2HG1  VAL  59          HG11      VAL  59   9.794   1.855  -1.438
  461   3HG1  VAL  59          HG13      VAL  59   9.566   0.145  -1.071
  462   1HG2  VAL  59          HG23      VAL  59  10.750   2.868   1.294
  463   2HG2  VAL  59          HG22      VAL  59  12.443   2.532   0.934
  464   3HG2  VAL  59          HG21      VAL  59  11.391   3.184  -0.319
  465    H    ASP  60           HN       ASP  60  11.702   1.432   3.463
  466    HA   ASP  60           HA       ASP  60  14.557   0.668   3.166
  467   1HB   ASP  60           HB2      ASP  60  13.031   2.691   4.786
  468   2HB   ASP  60           HB1      ASP  60  14.690   2.293   5.194
  469    H    ASP  61           HN       ASP  61  11.920   0.260   5.560
  470    HA   ASP  61           HA       ASP  61  13.733  -1.511   7.160
  471   1HB   ASP  61           HB2      ASP  61  10.924  -0.517   7.775
  472   2HB   ASP  61           HB1      ASP  61  11.942  -1.468   8.854
  473    H    ALA  62           HN       ALA  62  11.297  -1.545   4.811
  474    HA   ALA  62           HA       ALA  62  10.883  -4.483   5.176
  475   1HB   ALA  62           HB1      ALA  62   8.894  -2.648   5.451
  476   2HB   ALA  62           HB3      ALA  62   8.806  -2.915   3.711
  477   3HB   ALA  62           HB2      ALA  62   8.614  -4.271   4.822
  478    H    GLN  63           HN       GLN  63  12.983  -3.243   3.755
  479    HA   GLN  63           HA       GLN  63  12.500  -2.834   0.998
  480   1HB   GLN  63           HB2      GLN  63  14.884  -3.121   0.707
  481   2HB   GLN  63           HB1      GLN  63  14.624  -2.296   2.242
  482   1HG   GLN  63           HG2      GLN  63  14.740  -4.552   3.377
  483   2HG   GLN  63           HG1      GLN  63  15.243  -5.233   1.830
  484   1HE2  GLN  63          HE22      GLN  63  18.014  -3.523   4.126
  485   2HE2  GLN  63          HE21      GLN  63  16.481  -3.991   4.686
  486    H    ASP  64           HN       ASP  64  12.774  -5.823   2.841
  487    HA   ASP  64           HA       ASP  64  13.283  -7.547   0.623
  488   1HB   ASP  64           HB2      ASP  64  12.224  -9.317   2.098
  489   2HB   ASP  64           HB1      ASP  64  13.562  -8.440   2.832
  490    H    VAL  65           HN       VAL  65  10.311  -6.182   1.968
  491    HA   VAL  65           HA       VAL  65   8.530  -7.754   0.321
  492    HB   VAL  65           HB       VAL  65   7.946  -4.995   1.435
  493   1HG1  VAL  65          HG13      VAL  65   6.275  -6.095  -0.049
  494   2HG1  VAL  65          HG12      VAL  65   6.214  -7.457   1.072
  495   3HG1  VAL  65          HG11      VAL  65   5.675  -5.859   1.593
  496   1HG2  VAL  65          HG21      VAL  65   8.217  -7.630   2.864
  497   2HG2  VAL  65          HG23      VAL  65   8.840  -6.056   3.332
  498   3HG2  VAL  65          HG22      VAL  65   7.118  -6.399   3.466
  499    H    ALA  66           HN       ALA  66   9.897  -4.473   0.055
  500    HA   ALA  66           HA       ALA  66   8.568  -3.876  -2.431
  501   1HB   ALA  66           HB3      ALA  66   9.626  -2.265  -0.670
  502   2HB   ALA  66           HB2      ALA  66  11.120  -2.534  -1.570
  503   3HB   ALA  66           HB1      ALA  66   9.711  -1.842  -2.379
  504    H    SER  67           HN       SER  67  11.792  -5.105  -1.605
  505    HA   SER  67           HA       SER  67  12.902  -4.974  -4.221
  506   1HB   SER  67           HB2      SER  67  14.500  -6.651  -3.443
  507   2HB   SER  67           HB1      SER  67  14.207  -5.484  -2.157
  508    HG   SER  67           HG       SER  67  13.996  -7.460  -1.222
  509    H    GLU  68           HN       GLU  68  10.696  -7.238  -2.724
  510    HA   GLU  68           HA       GLU  68  10.878  -9.365  -4.614
  511   1HB   GLU  68           HB2      GLU  68   9.635  -9.420  -2.415
  512   2HB   GLU  68           HB1      GLU  68   8.378  -8.438  -3.166
  513   1HG   GLU  68           HG2      GLU  68   8.235 -10.237  -4.975
  514   2HG   GLU  68           HG1      GLU  68   9.247 -11.234  -3.927
  515    H    ALA  69           HN       ALA  69   8.991  -6.361  -4.583
  516    HA   ALA  69           HA       ALA  69   7.806  -7.011  -7.214
  517   1HB   ALA  69           HB2      ALA  69   7.476  -4.598  -5.414
  518   2HB   ALA  69           HB1      ALA  69   6.578  -4.879  -6.906
  519   3HB   ALA  69           HB3      ALA  69   6.367  -5.964  -5.531
  520    H    GLU  70           HN       GLU  70  10.732  -5.785  -6.273
  521    HA   GLU  70           HA       GLU  70  12.331  -4.444  -7.350
  522   1HB   GLU  70           HB2      GLU  70  10.590  -4.948  -9.786
  523   2HB   GLU  70           HB1      GLU  70  12.225  -4.305  -9.809
  524   1HG   GLU  70           HG2      GLU  70  11.478  -7.019  -8.701
  525   2HG   GLU  70           HG1      GLU  70  12.128  -6.737 -10.313
  526    H    VAL  71           HN       VAL  71  10.519  -2.929  -5.950
  527    HA   VAL  71           HA       VAL  71   9.067  -1.056  -7.550
  528    HB   VAL  71           HB       VAL  71  10.361  -0.487  -4.868
  529   1HG1  VAL  71          HG13      VAL  71   8.028   0.691  -6.407
  530   2HG1  VAL  71          HG12      VAL  71   8.322   1.029  -4.704
  531   3HG1  VAL  71          HG11      VAL  71   9.512   1.510  -5.919
  532   1HG2  VAL  71          HG22      VAL  71   7.740  -1.852  -5.572
  533   2HG2  VAL  71          HG21      VAL  71   9.056  -2.502  -4.598
  534   3HG2  VAL  71          HG23      VAL  71   8.071  -1.178  -3.977
  535    H    LYS  72           HN       LYS  72   9.776   0.625  -8.752
  536    HA   LYS  72           HA       LYS  72  12.680   1.245  -8.712
  537   1HB   LYS  72           HB2      LYS  72  10.548   1.859 -10.777
  538   2HB   LYS  72           HB1      LYS  72  12.269   2.196 -10.953
  539   1HG   LYS  72           HG2      LYS  72  11.318  -0.617 -10.364
  540   2HG   LYS  72           HG1      LYS  72  11.327   0.000 -12.014
  541   1HD   LYS  72           HD2      LYS  72  13.758   0.564 -11.727
  542   2HD   LYS  72           HD1      LYS  72  13.707  -0.224 -10.150
  543   1HE   LYS  72           HE2      LYS  72  14.512  -1.851 -11.735
  544   2HE   LYS  72           HE1      LYS  72  12.863  -2.304 -11.303
  545   1HZ   LYS  72           HZ3      LYS  72  13.468  -0.616 -13.657
  546   2HZ   LYS  72           HZ2      LYS  72  13.445  -2.313 -13.749
  547   3HZ   LYS  72           HZ1      LYS  72  12.039  -1.463 -13.313
  548    H    ALA  73           HN       ALA  73   9.713   2.542  -7.629
  549    HA   ALA  73           HA       ALA  73  11.039   5.008  -6.831
  550   1HB   ALA  73           HB3      ALA  73  10.337   5.372  -9.265
  551   2HB   ALA  73           HB2      ALA  73   8.682   5.381  -8.657
  552   3HB   ALA  73           HB1      ALA  73   9.836   6.590  -8.092
  553    H    THR  74           HN       THR  74   9.749   6.308  -5.388
  554    HA   THR  74           HA       THR  74   7.244   4.994  -4.400
  555    HB   THR  74           HB       THR  74   7.930   5.476  -2.109
  556    HG1  THR  74           HG1      THR  74  10.082   6.808  -3.347
  557   1HG2  THR  74          HG23      THR  74   8.926   3.455  -3.135
  558   2HG2  THR  74          HG22      THR  74  10.327   4.420  -3.589
  559   3HG2  THR  74          HG21      THR  74   9.953   4.164  -1.889
  560    HA   PRO  75           HA       PRO  75   5.847   5.706  -2.615
  561   1HB   PRO  75           HB2      PRO  75   3.271   6.681  -2.692
  562   2HB   PRO  75           HB1      PRO  75   4.500   7.220  -1.540
  563   1HG   PRO  75           HG2      PRO  75   3.450   8.610  -3.949
  564   2HG   PRO  75           HG1      PRO  75   4.119   9.287  -2.462
  565   1HD   PRO  75           HD2      PRO  75   5.470   9.084  -4.937
  566   2HD   PRO  75           HD1      PRO  75   6.232   9.429  -3.357
  567    H    THR  76           HN       THR  76   4.965   3.799  -3.296
  568    HA   THR  76           HA       THR  76   3.530   3.767  -5.926
  569    HB   THR  76           HB       THR  76   5.453   1.665  -4.907
  570    HG1  THR  76           HG1      THR  76   6.242   2.489  -7.183
  571   1HG2  THR  76          HG23      THR  76   3.727   1.857  -7.385
  572   2HG2  THR  76          HG22      THR  76   5.050   0.703  -7.208
  573   3HG2  THR  76          HG21      THR  76   3.656   0.619  -6.129
  574    H    PHE  77           HN       PHE  77   1.640   2.800  -5.871
  575    HA   PHE  77           HA       PHE  77   0.822   1.345  -3.384
  576   1HB   PHE  77           HB2      PHE  77  -0.871   2.780  -5.458
  577   2HB   PHE  77           HB1      PHE  77  -1.480   1.991  -4.001
  578    HD1  PHE  77           HD1      PHE  77  -0.897   2.895  -1.744
  579    HD2  PHE  77           HD2      PHE  77   0.216   4.915  -5.366
  580    HE1  PHE  77           HE1      PHE  77  -0.463   4.970  -0.449
  581    HE2  PHE  77           HE2      PHE  77   0.647   6.994  -4.080
  582    HZ   PHE  77           HZ       PHE  77   0.308   7.024  -1.615
  583    H    GLN  78           HN       GLN  78   0.272  -0.791  -3.610
  584    HA   GLN  78           HA       GLN  78  -0.184  -1.847  -6.391
  585   1HB   GLN  78           HB2      GLN  78   1.307  -3.101  -4.081
  586   2HB   GLN  78           HB1      GLN  78   0.802  -4.000  -5.512
  587   1HG   GLN  78           HG2      GLN  78   2.055  -2.365  -6.918
  588   2HG   GLN  78           HG1      GLN  78   2.651  -1.599  -5.447
  589   1HE2  GLN  78          HE22      GLN  78   5.396  -3.833  -5.748
  590   2HE2  GLN  78          HE21      GLN  78   4.885  -2.220  -5.873
  591    H    PHE  79           HN       PHE  79  -1.919  -3.143  -6.651
  592    HA   PHE  79           HA       PHE  79  -3.683  -3.504  -4.257
  593   1HB   PHE  79           HB2      PHE  79  -4.279  -3.486  -7.227
  594   2HB   PHE  79           HB1      PHE  79  -5.480  -3.788  -5.964
  595    HD1  PHE  79           HD2      PHE  79  -3.004  -1.311  -7.221
  596    HD2  PHE  79           HD1      PHE  79  -6.390  -2.006  -4.684
  597    HE1  PHE  79           HE2      PHE  79  -3.191   1.126  -6.807
  598    HE2  PHE  79           HE1      PHE  79  -6.576   0.427  -4.257
  599    HZ   PHE  79           HZ       PHE  79  -4.981   1.993  -5.319
  600    H    PHE  80           HN       PHE  80  -4.263  -5.483  -3.588
  601    HA   PHE  80           HA       PHE  80  -3.530  -7.843  -5.257
  602   1HB   PHE  80           HB2      PHE  80  -3.039  -7.419  -2.307
  603   2HB   PHE  80           HB1      PHE  80  -2.998  -9.009  -3.066
  604    HD1  PHE  80           HD2      PHE  80  -1.318  -5.712  -2.832
  605    HD2  PHE  80           HD1      PHE  80  -1.234  -9.626  -4.620
  606    HE1  PHE  80           HE2      PHE  80   1.025  -5.344  -3.544
  607    HE2  PHE  80           HE1      PHE  80   1.108  -9.242  -5.337
  608    HZ   PHE  80           HZ       PHE  80   2.236  -7.100  -4.797
  609    H    LYS  81           HN       LYS  81  -4.964  -9.601  -5.122
  610    HA   LYS  81           HA       LYS  81  -7.329  -9.337  -3.336
  611   1HB   LYS  81           HB2      LYS  81  -7.780  -8.178  -5.578
  612   2HB   LYS  81           HB1      LYS  81  -7.637  -9.770  -6.326
  613   1HG   LYS  81           HG2      LYS  81  -9.433 -10.600  -4.814
  614   2HG   LYS  81           HG1      LYS  81  -9.623  -8.974  -4.174
  615   1HD   LYS  81           HD2      LYS  81  -9.856  -9.603  -7.123
  616   2HD   LYS  81           HD1      LYS  81 -11.243  -9.652  -6.038
  617   1HE   LYS  81           HE2      LYS  81 -10.541  -7.238  -5.367
  618   2HE   LYS  81           HE1      LYS  81  -9.561  -7.277  -6.832
  619   1HZ   LYS  81           HZ1      LYS  81 -12.298  -8.195  -7.119
  620   2HZ   LYS  81           HZ3      LYS  81 -12.115  -6.540  -6.795
  621   3HZ   LYS  81           HZ2      LYS  81 -11.358  -7.227  -8.151
  622    H    LYS  82           HN       LYS  82  -7.574 -11.342  -2.433
  623    HA   LYS  82           HA       LYS  82  -7.361 -13.657  -2.117
  624   1HB   LYS  82           HB2      LYS  82  -7.600 -13.737  -5.147
  625   2HB   LYS  82           HB1      LYS  82  -7.772 -15.112  -4.061
  626   1HG   LYS  82           HG2      LYS  82  -9.746 -14.242  -3.091
  627   2HG   LYS  82           HG1      LYS  82  -9.489 -12.649  -3.786
  628   1HD   LYS  82           HD2      LYS  82  -9.866 -13.525  -6.035
  629   2HD   LYS  82           HD1      LYS  82 -10.006 -15.164  -5.397
  630   1HE   LYS  82           HE2      LYS  82 -11.816 -12.890  -4.553
  631   2HE   LYS  82           HE1      LYS  82 -12.215 -14.019  -5.850
  632   1HZ   LYS  82           HZ1      LYS  82 -11.339 -15.248  -3.384
  633   2HZ   LYS  82           HZ3      LYS  82 -12.810 -14.412  -3.271
  634   3HZ   LYS  82           HZ2      LYS  82 -12.630 -15.662  -4.408
  635    H    GLY  83           HN       GLY  83  -4.962 -12.043  -2.408
  636   1HA   GLY  83           HA2      GLY  83  -2.669 -12.519  -2.387
  637   2HA   GLY  83           HA1      GLY  83  -3.061 -14.195  -2.765
  638    H    GLN  84           HN       GLN  84  -4.398 -11.754  -4.851
  639    HA   GLN  84           HA       GLN  84  -2.303 -12.380  -6.894
  640   1HB   GLN  84           HB2      GLN  84  -5.300 -12.145  -7.254
  641   2HB   GLN  84           HB1      GLN  84  -4.161 -12.167  -8.593
  642   1HG   GLN  84           HG2      GLN  84  -4.247 -14.347  -6.498
  643   2HG   GLN  84           HG1      GLN  84  -5.183 -14.421  -7.992
  644   1HE2  GLN  84          HE22      GLN  84  -1.479 -13.973  -9.340
  645   2HE2  GLN  84          HE21      GLN  84  -2.469 -12.701  -8.794
  646    H    LYS  85           HN       LYS  85  -1.384 -10.658  -7.882
  647    HA   LYS  85           HA       LYS  85  -2.150  -7.942  -7.086
  648   1HB   LYS  85           HB2      LYS  85   0.221  -8.645  -7.422
  649   2HB   LYS  85           HB1      LYS  85  -0.119  -8.883  -9.135
  650   1HG   LYS  85           HG2      LYS  85  -0.850  -6.457  -9.218
  651   2HG   LYS  85           HG1      LYS  85  -0.221  -6.289  -7.582
  652   1HD   LYS  85           HD2      LYS  85   1.994  -7.117  -8.403
  653   2HD   LYS  85           HD1      LYS  85   1.338  -7.119 -10.042
  654   1HE   LYS  85           HE2      LYS  85   0.898  -4.717  -9.901
  655   2HE   LYS  85           HE1      LYS  85   1.475  -4.692  -8.233
  656   1HZ   LYS  85           HZ2      LYS  85   3.368  -5.905  -9.980
  657   2HZ   LYS  85           HZ1      LYS  85   2.986  -4.331 -10.492
  658   3HZ   LYS  85           HZ3      LYS  85   3.568  -4.591  -8.921
  659    H    VAL  86           HN       VAL  86  -3.651  -6.751  -8.157
  660    HA   VAL  86           HA       VAL  86  -4.236  -7.408 -11.027
  661    HB   VAL  86           HB       VAL  86  -6.575  -6.630 -10.506
  662   1HG1  VAL  86          HG13      VAL  86  -5.809  -9.067 -10.532
  663   2HG1  VAL  86          HG12      VAL  86  -5.725  -8.963  -8.773
  664   3HG1  VAL  86          HG11      VAL  86  -7.267  -8.736  -9.596
  665   1HG2  VAL  86          HG22      VAL  86  -5.969  -5.353  -8.469
  666   2HG2  VAL  86          HG21      VAL  86  -7.231  -6.540  -8.141
  667   3HG2  VAL  86          HG23      VAL  86  -5.568  -6.865  -7.657
  668    H    GLY  87           HN       GLY  87  -2.711  -5.104  -9.286
  669   1HA   GLY  87           HA2      GLY  87  -3.033  -3.108 -11.315
  670   2HA   GLY  87           HA1      GLY  87  -4.086  -2.701  -9.965
  671    H    GLU  88           HN       GLU  88  -1.835  -1.173 -10.896
  672    HA   GLU  88           HA       GLU  88  -0.536  -0.682  -8.363
  673   1HB   GLU  88           HB2      GLU  88   0.848  -2.554  -8.930
  674   2HB   GLU  88           HB1      GLU  88   1.046  -1.990 -10.582
  675   1HG   GLU  88           HG2      GLU  88   1.962  -0.295  -8.257
  676   2HG   GLU  88           HG1      GLU  88   2.982  -1.592  -8.881
  677    H    PHE  89           HN       PHE  89   0.549   1.333  -8.370
  678    HA   PHE  89           HA       PHE  89   1.115   2.726 -10.848
  679   1HB   PHE  89           HB2      PHE  89  -0.558   4.400 -10.844
  680   2HB   PHE  89           HB1      PHE  89  -1.434   2.895 -10.606
  681    HD1  PHE  89           HD1      PHE  89  -0.007   5.840  -8.837
  682    HD2  PHE  89           HD2      PHE  89  -2.749   2.547  -8.649
  683    HE1  PHE  89           HE1      PHE  89  -0.987   6.779  -6.760
  684    HE2  PHE  89           HE2      PHE  89  -3.724   3.480  -6.569
  685    HZ   PHE  89           HZ       PHE  89  -2.853   5.603  -5.628
  686    H    SER  90           HN       SER  90   2.041   4.864 -10.444
  687    HA   SER  90           HA       SER  90   2.991   5.229  -7.623
  688   1HB   SER  90           HB2      SER  90   5.139   6.012  -8.535
  689   2HB   SER  90           HB1      SER  90   4.827   4.349  -9.026
  690    HG   SER  90           HG       SER  90   3.733   6.054 -10.785
  691    H    GLY  91           HN       GLY  91   3.652   7.461  -7.168
  692   1HA   GLY  91           HA2      GLY  91   3.642   9.824  -8.069
  693   2HA   GLY  91           HA1      GLY  91   2.085   9.451  -8.795
  694    H    ALA  92           HN       ALA  92   3.022  11.381  -6.603
  695    HA   ALA  92           HA       ALA  92   1.688  10.469  -4.187
  696   1HB   ALA  92           HB3      ALA  92   2.766  13.113  -5.159
  697   2HB   ALA  92           HB2      ALA  92   1.944  12.974  -3.608
  698   3HB   ALA  92           HB1      ALA  92   3.428  12.064  -3.912
  699    H    ASN  93           HN       ASN  93  -0.312   9.939  -5.759
  700    HA   ASN  93           HA       ASN  93  -2.175  12.293  -5.671
  701   1HB   ASN  93           HB2      ASN  93  -1.650  11.454  -7.983
  702   2HB   ASN  93           HB1      ASN  93  -2.374   9.911  -7.522
  703   1HD2  ASN  93          HD22      ASN  93  -4.772  13.000  -8.490
  704   2HD2  ASN  93          HD21      ASN  93  -3.087  13.084  -8.649
  705    H    LYS  94           HN       LYS  94  -3.119  11.898  -3.687
  706    HA   LYS  94           HA       LYS  94  -3.770   9.269  -2.700
  707   1HB   LYS  94           HB2      LYS  94  -5.124  10.563  -1.038
  708   2HB   LYS  94           HB1      LYS  94  -3.444  11.069  -1.152
  709   1HG   LYS  94           HG2      LYS  94  -5.214  12.528  -3.025
  710   2HG   LYS  94           HG1      LYS  94  -5.669  12.761  -1.350
  711   1HD   LYS  94           HD2      LYS  94  -3.220  13.332  -0.896
  712   2HD   LYS  94           HD1      LYS  94  -3.001  13.352  -2.651
  713   1HE   LYS  94           HE2      LYS  94  -5.079  14.998  -1.180
  714   2HE   LYS  94           HE1      LYS  94  -3.494  15.611  -1.657
  715   1HZ   LYS  94           HZ2      LYS  94  -5.536  14.492  -3.503
  716   2HZ   LYS  94           HZ1      LYS  94  -5.184  16.142  -3.307
  717   3HZ   LYS  94           HZ3      LYS  94  -4.015  15.098  -3.957
  718    H    GLU  95           HN       GLU  95  -5.609  11.637  -4.599
  719    HA   GLU  95           HA       GLU  95  -8.186  10.461  -4.181
  720   1HB   GLU  95           HB2      GLU  95  -7.135  12.052  -6.543
  721   2HB   GLU  95           HB1      GLU  95  -8.835  11.732  -6.198
  722   1HG   GLU  95           HG2      GLU  95  -8.546  12.846  -3.975
  723   2HG   GLU  95           HG1      GLU  95  -6.903  13.276  -4.449
  724    H    LYS  96           HN       LYS  96  -5.529   9.700  -6.290
  725    HA   LYS  96           HA       LYS  96  -6.867   8.102  -8.222
  726   1HB   LYS  96           HB2      LYS  96  -4.471   8.934  -8.236
  727   2HB   LYS  96           HB1      LYS  96  -4.084   7.637  -7.121
  728   1HG   LYS  96           HG2      LYS  96  -4.592   5.954  -8.706
  729   2HG   LYS  96           HG1      LYS  96  -5.448   7.086  -9.756
  730   1HD   LYS  96           HD2      LYS  96  -3.337   8.278 -10.207
  731   2HD   LYS  96           HD1      LYS  96  -2.473   7.152  -9.167
  732   1HE   LYS  96           HE2      LYS  96  -3.137   5.279 -10.645
  733   2HE   LYS  96           HE1      LYS  96  -3.998   6.412 -11.686
  734   1HZ   LYS  96           HZ2      LYS  96  -1.194   6.979 -11.079
  735   2HZ   LYS  96           HZ1      LYS  96  -1.521   5.707 -12.157
  736   3HZ   LYS  96           HZ3      LYS  96  -2.078   7.272 -12.500
  737    H    LEU  97           HN       LEU  97  -5.678   7.430  -4.981
  738    HA   LEU  97           HA       LEU  97  -5.946   4.588  -4.965
  739   1HB   LEU  97           HB2      LEU  97  -6.281   6.690  -2.809
  740   2HB   LEU  97           HB1      LEU  97  -6.425   4.980  -2.461
  741    HG   LEU  97           HG       LEU  97  -3.991   6.257  -3.725
  742   1HD1  LEU  97          HD13      LEU  97  -4.643   5.551  -0.854
  743   2HD1  LEU  97          HD12      LEU  97  -2.997   5.834  -1.422
  744   3HD1  LEU  97          HD11      LEU  97  -4.191   7.131  -1.495
  745   1HD2  LEU  97          HD22      LEU  97  -4.735   3.462  -2.865
  746   2HD2  LEU  97          HD21      LEU  97  -3.830   3.985  -4.280
  747   3HD2  LEU  97          HD23      LEU  97  -3.065   3.975  -2.701
  748    H    GLU  98           HN       GLU  98  -8.197   7.208  -4.372
  749    HA   GLU  98           HA       GLU  98 -10.412   5.662  -3.465
  750   1HB   GLU  98           HB2      GLU  98 -10.239   8.134  -3.298
  751   2HB   GLU  98           HB1      GLU  98 -10.465   8.252  -5.039
  752   1HG   GLU  98           HG2      GLU  98 -12.610   8.654  -4.055
  753   2HG   GLU  98           HG1      GLU  98 -12.686   7.024  -4.714
  754    H    ALA  99           HN       ALA  99  -9.513   6.590  -6.804
  755    HA   ALA  99           HA       ALA  99 -11.911   5.503  -7.954
  756   1HB   ALA  99           HB2      ALA  99 -10.365   7.145  -9.076
  757   2HB   ALA  99           HB1      ALA  99  -9.244   5.807  -9.344
  758   3HB   ALA  99           HB3      ALA  99 -10.844   5.782 -10.088
  759    H    THR 100           HN       THR 100  -8.654   4.068  -7.597
  760    HA   THR 100           HA       THR 100  -9.348   1.671  -9.000
  761    HB   THR 100           HB       THR 100  -7.244   1.951  -6.839
  762    HG1  THR 100           HG1      THR 100  -6.313   2.120  -9.327
  763   1HG2  THR 100          HG22      THR 100  -7.696   0.057  -9.157
  764   2HG2  THR 100          HG21      THR 100  -6.132   0.219  -8.362
  765   3HG2  THR 100          HG23      THR 100  -7.532  -0.345  -7.449
  766    H    ILE 101           HN       ILE 101  -9.505   2.533  -5.560
  767    HA   ILE 101           HA       ILE 101 -10.182  -0.053  -4.541
  768    HB   ILE 101           HB       ILE 101 -10.950   2.739  -3.635
  769   1HG1  ILE 101          HG12      ILE 101  -9.018   0.802  -2.335
  770   2HG1  ILE 101          HG11      ILE 101  -8.496   1.875  -3.632
  771   1HG2  ILE 101          HG21      ILE 101 -11.450   0.042  -2.357
  772   2HG2  ILE 101          HG23      ILE 101 -11.406   1.533  -1.415
  773   3HG2  ILE 101          HG22      ILE 101 -12.614   1.326  -2.681
  774   1HD1  ILE 101          HD11      ILE 101  -9.391   3.812  -2.289
  775   2HD1  ILE 101          HD13      ILE 101  -9.685   2.683  -0.966
  776   3HD1  ILE 101          HD12      ILE 101  -8.039   2.974  -1.529
  777    H    ASN 102           HN       ASN 102 -12.272   2.648  -5.570
  778    HA   ASN 102           HA       ASN 102 -14.731   1.241  -5.259
  779   1HB   ASN 102           HB2      ASN 102 -14.456   3.739  -5.606
  780   2HB   ASN 102           HB1      ASN 102 -14.158   3.395  -7.313
  781   1HD2  ASN 102          HD22      ASN 102 -17.658   3.673  -7.739
  782   2HD2  ASN 102          HD21      ASN 102 -16.138   4.344  -8.085
  783    H    GLU 103           HN       GLU 103 -12.369   1.388  -7.836
  784    HA   GLU 103           HA       GLU 103 -13.935   0.120  -9.869
  785   1HB   GLU 103           HB2      GLU 103 -11.773   1.426 -10.154
  786   2HB   GLU 103           HB1      GLU 103 -10.933   0.011  -9.528
  787   1HG   GLU 103           HG2      GLU 103 -10.886  -0.157 -11.931
  788   2HG   GLU 103           HG1      GLU 103 -12.030  -1.361 -11.340
  789    H    LEU 104           HN       LEU 104 -11.664  -1.165  -7.447
  790    HA   LEU 104           HA       LEU 104 -12.243  -3.933  -8.363
  791   1HB   LEU 104           HB2      LEU 104 -10.270  -2.896  -6.312
  792   2HB   LEU 104           HB1      LEU 104 -10.394  -4.567  -6.849
  793    HG   LEU 104           HG       LEU 104  -9.759  -2.203  -8.639
  794   1HD1  LEU 104          HD13      LEU 104  -7.987  -4.399  -7.529
  795   2HD1  LEU 104          HD12      LEU 104  -7.486  -3.193  -8.715
  796   3HD1  LEU 104          HD11      LEU 104  -7.929  -2.694  -7.082
  797   1HD2  LEU 104          HD23      LEU 104 -10.159  -5.155  -9.117
  798   2HD2  LEU 104          HD22      LEU 104 -10.710  -3.788 -10.086
  799   3HD2  LEU 104          HD21      LEU 104  -9.017  -4.267 -10.127
  800    H    VAL 105           HN       VAL 105 -13.606  -1.801  -6.158
  801    HA   VAL 105           HA       VAL 105 -13.885  -3.537  -3.881
  802    HB   VAL 105           HB       VAL 105 -14.410  -1.022  -3.947
  803   1HG1  VAL 105          HG12      VAL 105 -16.016  -1.448  -5.988
  804   2HG1  VAL 105          HG11      VAL 105 -17.193  -1.861  -4.747
  805   3HG1  VAL 105          HG13      VAL 105 -16.466  -0.254  -4.773
  806   1HG2  VAL 105          HG23      VAL 105 -16.416  -2.957  -2.752
  807   2HG2  VAL 105          HG22      VAL 105 -14.906  -2.436  -2.007
  808   3HG2  VAL 105          HG21      VAL 105 -16.215  -1.278  -2.250
  809    HA   PRO  59           HA       PRO 106  14.143  16.011 -14.160
  810   1HB   PRO  59           HB2      PRO 106  16.734  15.711 -12.670
  811   2HB   PRO  59           HB1      PRO 106  16.310  15.176 -14.310
  812   1HG   PRO  59           HG2      PRO 106  17.837  17.315 -13.929
  813   2HG   PRO  59           HG1      PRO 106  16.617  17.284 -15.216
  814   1HD   PRO  59           HD2      PRO 106  16.536  18.711 -12.582
  815   2HD   PRO  59           HD1      PRO 106  15.856  19.201 -14.151
  816    H    ALA  60           HN       ALA 107  14.922  16.970 -10.856
  817    HA   ALA  60           HA       ALA 107  13.974  14.368  -9.776
  818   1HB   ALA  60           HB1      ALA 107  15.111  16.848  -8.443
  819   2HB   ALA  60           HB3      ALA 107  14.631  15.390  -7.578
  820   3HB   ALA  60           HB2      ALA 107  15.964  15.332  -8.730
  821    H    THR  61           HN       THR 108  11.851  14.135  -9.240
  822    HA   THR  61           HA       THR 108  10.169  16.599  -8.933
  823    HB   THR  61           HB       THR 108   9.242  13.737  -9.311
  824    HG1  THR  61           HG1      THR 108  10.618  14.910 -11.014
  825   1HG2  THR  61          HG22      THR 108   7.676  15.542  -8.407
  826   2HG2  THR  61          HG21      THR 108   7.844  16.333  -9.974
  827   3HG2  THR  61          HG23      THR 108   7.143  14.720  -9.871
  828    H    LEU  62           HN       LEU 109   9.364  17.084  -6.926
  829    HA   LEU  62           HA       LEU 109  10.114  15.559  -4.606
  830   1HB   LEU  62           HB2      LEU 109   8.094  17.782  -4.998
  831   2HB   LEU  62           HB1      LEU 109   8.476  17.091  -3.423
  832    HG   LEU  62           HG       LEU 109  10.515  18.350  -5.287
  833   1HD1  LEU  62          HD13      LEU 109   8.836  19.967  -4.389
  834   2HD1  LEU  62          HD12      LEU 109   9.269  19.465  -2.755
  835   3HD1  LEU  62          HD11      LEU 109  10.461  20.267  -3.776
  836   1HD2  LEU  62          HD21      LEU 109  10.655  17.003  -2.601
  837   2HD2  LEU  62          HD23      LEU 109  11.819  16.990  -3.926
  838   3HD2  LEU  62          HD22      LEU 109  11.701  18.396  -2.872
  839    H    LYS  63           HN       LYS 110   7.286  15.592  -6.664
  840    HA   LYS  63           HA       LYS 110   5.453  14.257  -4.946
  841   1HB   LYS  63           HB2      LYS 110   5.697  14.024  -7.964
  842   2HB   LYS  63           HB1      LYS 110   4.272  13.616  -7.011
  843   1HG   LYS  63           HG2      LYS 110   5.506  16.370  -7.343
  844   2HG   LYS  63           HG1      LYS 110   3.959  15.822  -7.984
  845   1HD   LYS  63           HD2      LYS 110   3.396  15.331  -5.461
  846   2HD   LYS  63           HD1      LYS 110   4.715  16.454  -5.139
  847   1HE   LYS  63           HE2      LYS 110   3.606  18.168  -6.524
  848   2HE   LYS  63           HE1      LYS 110   2.276  17.053  -6.843
  849   1HZ   LYS  63           HZ1      LYS 110   3.060  17.673  -4.074
  850   2HZ   LYS  63           HZ3      LYS 110   2.066  18.747  -4.931
  851   3HZ   LYS  63           HZ2      LYS 110   1.559  17.147  -4.668
  852    H    ILE  64           HN       ILE 111   8.302  13.152  -6.479
  853    HA   ILE  64           HA       ILE 111   7.680  10.306  -5.722
  854    HB   ILE  64           HB       ILE 111   9.263  11.304  -8.121
  855   1HG1  ILE  64          HG12      ILE 111   6.861  11.408  -8.512
  856   2HG1  ILE  64          HG11      ILE 111   7.550  10.080  -9.437
  857   1HG2  ILE  64          HG22      ILE 111   8.822   8.502  -7.058
  858   2HG2  ILE  64          HG21      ILE 111   9.437   8.849  -8.672
  859   3HG2  ILE  64          HG23      ILE 111  10.364   9.336  -7.255
  860   1HD1  ILE  64          HD12      ILE 111   6.910   8.701  -7.216
  861   2HD1  ILE  64          HD11      ILE 111   5.730  10.000  -7.070
  862   3HD1  ILE  64          HD13      ILE 111   5.744   8.979  -8.505
  863    H    CYS  65           HN       CYS 112   9.366   9.265  -4.583
  864    HA   CYS  65           HA       CYS 112  11.758  10.950  -3.945
  865   1HB   CYS  65           HB2      CYS 112  10.998   8.376  -2.551
  866   2HB   CYS  65           HB1      CYS 112  12.077   9.636  -1.978
  867    H    SER  66           HN       SER 113  13.683  10.365  -4.903
  868    HA   SER  66           HA       SER 113  13.737   8.047  -6.682
  869   1HB   SER  66           HB2      SER 113  15.902  10.024  -5.906
  870   2HB   SER  66           HB1      SER 113  16.068   8.801  -7.164
  871    HG   SER  66           HG       SER 113  15.383  10.923  -7.893
  872    H    TRP  67           HN       TRP 114  14.850   6.123  -6.400
  873    HA   TRP  67           HA       TRP 114  15.498   5.316  -3.686
  874   1HB   TRP  67           HB2      TRP 114  15.817   3.919  -6.357
  875   2HB   TRP  67           HB1      TRP 114  16.241   3.174  -4.814
  876    HD1  TRP  67           HD1      TRP 114  13.201   5.187  -6.082
  877    HE1  TRP  67           HE1      TRP 114  11.066   3.997  -5.286
  878    HE3  TRP  67           HE3      TRP 114  15.247   1.220  -3.642
  879    HZ2  TRP  67           HZ2      TRP 114  10.338   1.698  -3.773
  880    HZ3  TRP  67           HZ3      TRP 114  13.820  -0.456  -2.531
  881    HH2  TRP  67           HH2      TRP 114  11.359  -0.228  -2.605
  882    H    ASN  68           HN       ASN 115  17.212   6.952  -6.095
  883    HA   ASN  68           HA       ASN 115  19.819   5.931  -5.950
  884   1HB   ASN  68           HB2      ASN 115  18.875   8.817  -6.079
  885   2HB   ASN  68           HB1      ASN 115  20.556   8.326  -6.301
  886   1HD2  ASN  68          HD22      ASN 115  18.597   6.251  -9.095
  887   2HD2  ASN  68          HD21      ASN 115  18.625   5.827  -7.452
  888    H    VAL  69           HN       VAL 116  17.887   7.164  -3.447
  889    HA   VAL  69           HA       VAL 116  19.878   8.320  -1.741
  890    HB   VAL  69           HB       VAL 116  18.226   7.798   0.089
  891   1HG1  VAL  69          HG13      VAL 116  18.111   9.809  -1.524
  892   2HG1  VAL  69          HG12      VAL 116  16.821   8.925  -2.339
  893   3HG1  VAL  69          HG11      VAL 116  16.635   9.398  -0.650
  894   1HG2  VAL  69          HG23      VAL 116  17.439   5.654  -1.139
  895   2HG2  VAL  69          HG22      VAL 116  16.196   6.645  -0.385
  896   3HG2  VAL  69          HG21      VAL 116  16.456   6.734  -2.125
  897    H    ASP  70           HN       ASP 117  21.142   7.345  -0.093
  898    HA   ASP  70           HA       ASP 117  22.155   4.734  -0.615
  899   1HB   ASP  70           HB2      ASP 117  22.247   6.448   1.880
  900   2HB   ASP  70           HB1      ASP 117  23.137   4.936   1.715
  901    H    GLY  71           HN       GLY 118  19.721   5.853   1.726
  902   1HA   GLY  71           HA2      GLY 118  18.190   4.642   3.035
  903   2HA   GLY  71           HA1      GLY 118  18.184   3.491   1.699
   
  No H/Q in entry =         903
  Start of MODEL   33
    1   1H    MET   1           HT1      MET   1  -9.173  -1.482   9.132
    2   2H    MET   1           HT3      MET   1  -8.899  -3.051   9.716
    3   3H    MET   1           HT2      MET   1  -9.898  -1.985  10.584
    4    HA   MET   1           HA       MET   1  -8.068  -0.587  11.145
    5   1HB   MET   1           HB2      MET   1  -7.436  -3.535  11.499
    6   2HB   MET   1           HB1      MET   1  -6.685  -2.229  12.417
    7   1HG   MET   1           HG2      MET   1  -9.664  -2.792  12.340
    8   2HG   MET   1           HG1      MET   1  -8.585  -3.295  13.638
    9   1HE   MET   1           HE2      MET   1  -7.919  -2.069  15.494
   10   2HE   MET   1           HE1      MET   1  -6.722  -1.215  14.527
   11   3HE   MET   1           HE3      MET   1  -7.758  -0.324  15.648
   12    H    VAL   2           HN       VAL   2  -5.578  -0.492  11.146
   13    HA   VAL   2           HA       VAL   2  -4.625  -0.922   8.345
   14    HB   VAL   2           HB       VAL   2  -3.485   0.735  10.619
   15   1HG1  VAL   2          HG13      VAL   2  -2.618   0.294   7.753
   16   2HG1  VAL   2          HG12      VAL   2  -2.097   1.689   8.699
   17   3HG1  VAL   2          HG11      VAL   2  -1.665   0.058   9.220
   18   1HG2  VAL   2          HG22      VAL   2  -5.599   1.612   9.677
   19   2HG2  VAL   2          HG21      VAL   2  -4.232   2.639   9.236
   20   3HG2  VAL   2          HG23      VAL   2  -4.907   1.515   8.058
   21    H    LYS   3           HN       LYS   3  -2.680  -2.081   7.941
   22    HA   LYS   3           HA       LYS   3  -1.479  -3.565  10.255
   23   1HB   LYS   3           HB2      LYS   3  -3.026  -5.025   8.969
   24   2HB   LYS   3           HB1      LYS   3  -2.141  -4.643   7.494
   25   1HG   LYS   3           HG2      LYS   3  -0.198  -5.774   8.239
   26   2HG   LYS   3           HG1      LYS   3  -0.777  -5.880   9.897
   27   1HD   LYS   3           HD2      LYS   3  -2.568  -7.408   9.189
   28   2HD   LYS   3           HD1      LYS   3  -2.058  -7.247   7.505
   29   1HE   LYS   3           HE2      LYS   3  -1.151  -9.317   8.431
   30   2HE   LYS   3           HE1      LYS   3   0.168  -8.187   8.123
   31   1HZ   LYS   3           HZ3      LYS   3  -0.997  -7.916  10.738
   32   2HZ   LYS   3           HZ2      LYS   3  -0.301  -9.444  10.470
   33   3HZ   LYS   3           HZ1      LYS   3   0.634  -8.036  10.284
   34    H    GLN   4           HN       GLN   4   0.691  -3.217  10.334
   35    HA   GLN   4           HA       GLN   4   2.041  -2.072   7.932
   36   1HB   GLN   4           HB2      GLN   4   2.320  -0.894  10.119
   37   2HB   GLN   4           HB1      GLN   4   3.062  -2.353  10.781
   38   1HG   GLN   4           HG2      GLN   4   4.851  -2.238   9.096
   39   2HG   GLN   4           HG1      GLN   4   4.102  -0.805   8.385
   40   1HE2  GLN   4          HE22      GLN   4   6.290   1.040  10.505
   41   2HE2  GLN   4          HE21      GLN   4   5.936   0.596   8.904
   42    H    ILE   5           HN       ILE   5   3.287  -3.383   6.724
   43    HA   ILE   5           HA       ILE   5   3.982  -6.103   7.760
   44    HB   ILE   5           HB       ILE   5   4.281  -4.993   4.954
   45   1HG1  ILE   5          HG12      ILE   5   1.919  -4.833   5.593
   46   2HG1  ILE   5          HG11      ILE   5   2.146  -6.148   4.442
   47   1HG2  ILE   5          HG22      ILE   5   4.213  -7.773   6.128
   48   2HG2  ILE   5          HG21      ILE   5   4.141  -7.425   4.407
   49   3HG2  ILE   5          HG23      ILE   5   5.573  -6.983   5.326
   50   1HD1  ILE   5          HD11      ILE   5   2.234  -7.750   6.375
   51   2HD1  ILE   5          HD13      ILE   5   1.831  -6.412   7.443
   52   3HD1  ILE   5          HD12      ILE   5   0.688  -6.925   6.214
   53    H    GLU   6           HN       GLU   6   5.972  -6.109   8.743
   54    HA   GLU   6           HA       GLU   6   8.064  -4.240   7.756
   55   1HB   GLU   6           HB2      GLU   6   8.028  -6.066  10.173
   56   2HB   GLU   6           HB1      GLU   6   9.280  -4.886   9.793
   57   1HG   GLU   6           HG2      GLU   6   6.369  -4.139  10.152
   58   2HG   GLU   6           HG1      GLU   6   7.541  -4.101  11.468
   59    H    SER   7           HN       SER   7   7.044  -7.307   7.011
   60    HA   SER   7           HA       SER   7   9.690  -7.955   5.864
   61   1HB   SER   7           HB2      SER   7   9.726 -10.227   6.829
   62   2HB   SER   7           HB1      SER   7   9.816  -8.993   8.090
   63    HG   SER   7           HG       SER   7   7.288  -9.375   7.757
   64    H    LYS   8           HN       LYS   8   9.585  -9.605   4.245
   65    HA   LYS   8           HA       LYS   8   7.166  -9.626   2.693
   66   1HB   LYS   8           HB2      LYS   8   9.560 -10.041   1.854
   67   2HB   LYS   8           HB1      LYS   8   9.384 -11.667   2.518
   68   1HG   LYS   8           HG2      LYS   8   7.394 -12.042   1.129
   69   2HG   LYS   8           HG1      LYS   8   7.539 -10.411   0.473
   70   1HD   LYS   8           HD2      LYS   8   8.496 -12.056  -1.089
   71   2HD   LYS   8           HD1      LYS   8   9.753 -10.986  -0.469
   72   1HE   LYS   8           HE2      LYS   8  10.685 -12.651   0.887
   73   2HE   LYS   8           HE1      LYS   8   9.193 -13.598   0.925
   74   1HZ   LYS   8           HZ1      LYS   8  10.233 -13.240  -1.722
   75   2HZ   LYS   8           HZ3      LYS   8  11.321 -14.046  -0.701
   76   3HZ   LYS   8           HZ2      LYS   8   9.755 -14.663  -0.928
   77    H    THR   9           HN       THR   9   8.563 -11.760   5.101
   78    HA   THR   9           HA       THR   9   6.934 -14.027   4.697
   79    HB   THR   9           HB       THR   9   7.831 -12.920   7.371
   80    HG1  THR   9           HG1      THR   9   9.182 -14.695   5.623
   81   1HG2  THR   9          HG21      THR   9   6.962 -15.637   6.386
   82   2HG2  THR   9          HG23      THR   9   7.980 -15.460   7.816
   83   3HG2  THR   9          HG22      THR   9   6.376 -14.731   7.781
   84    H    ALA  10           HN       ALA  10   6.366 -11.171   6.743
   85    HA   ALA  10           HA       ALA  10   3.707 -11.979   7.532
   86   1HB   ALA  10           HB2      ALA  10   5.184  -9.338   7.551
   87   2HB   ALA  10           HB1      ALA  10   3.497  -9.457   8.058
   88   3HB   ALA  10           HB3      ALA  10   4.745 -10.352   8.922
   89    H    PHE  11           HN       PHE  11   5.025 -10.270   4.752
   90    HA   PHE  11           HA       PHE  11   2.632  -9.046   3.783
   91   1HB   PHE  11           HB2      PHE  11   5.003  -8.783   2.843
   92   2HB   PHE  11           HB1      PHE  11   4.793 -10.343   2.079
   93    HD1  PHE  11           HD1      PHE  11   2.925  -7.098   2.432
   94    HD2  PHE  11           HD2      PHE  11   4.039 -10.362  -0.131
   95    HE1  PHE  11           HE1      PHE  11   1.788  -5.998   0.529
   96    HE2  PHE  11           HE2      PHE  11   2.893  -9.260  -2.030
   97    HZ   PHE  11           HZ       PHE  11   1.769  -7.080  -1.697
   98    H    GLN  12           HN       GLN  12   4.009 -12.273   3.242
   99    HA   GLN  12           HA       GLN  12   1.908 -13.189   1.507
  100   1HB   GLN  12           HB2      GLN  12   3.663 -14.811   3.386
  101   2HB   GLN  12           HB1      GLN  12   2.793 -15.419   1.978
  102   1HG   GLN  12           HG2      GLN  12   4.948 -13.290   1.868
  103   2HG   GLN  12           HG1      GLN  12   5.204 -14.992   1.495
  104   1HE2  GLN  12          HE22      GLN  12   3.852 -12.642  -1.414
  105   2HE2  GLN  12          HE21      GLN  12   4.622 -12.077  -0.011
  106    H    GLU  13           HN       GLU  13   2.419 -13.422   5.019
  107    HA   GLU  13           HA       GLU  13   0.045 -14.929   5.582
  108   1HB   GLU  13           HB2      GLU  13   1.628 -12.991   7.301
  109   2HB   GLU  13           HB1      GLU  13   0.379 -14.058   7.914
  110   1HG   GLU  13           HG2      GLU  13   2.862 -14.995   6.457
  111   2HG   GLU  13           HG1      GLU  13   2.670 -15.000   8.211
  112    H    ALA  14           HN       ALA  14   0.661 -11.463   5.297
  113    HA   ALA  14           HA       ALA  14  -1.898 -10.631   6.304
  114   1HB   ALA  14           HB3      ALA  14   0.287  -9.238   5.903
  115   2HB   ALA  14           HB2      ALA  14  -0.347  -9.030   4.273
  116   3HB   ALA  14           HB1      ALA  14  -1.276  -8.459   5.662
  117    H    LEU  15           HN       LEU  15  -0.663 -11.274   3.026
  118    HA   LEU  15           HA       LEU  15  -3.031 -10.523   1.640
  119   1HB   LEU  15           HB2      LEU  15  -0.926 -12.606   0.996
  120   2HB   LEU  15           HB1      LEU  15  -2.214 -12.154  -0.121
  121    HG   LEU  15           HG       LEU  15  -0.293 -10.142   1.079
  122   1HD1  LEU  15          HD11      LEU  15  -0.090 -11.757  -1.471
  123   2HD1  LEU  15          HD13      LEU  15   0.790 -10.252  -1.227
  124   3HD1  LEU  15          HD12      LEU  15   1.099 -11.627  -0.171
  125   1HD2  LEU  15          HD22      LEU  15  -2.397 -10.078  -1.083
  126   2HD2  LEU  15          HD21      LEU  15  -2.102  -8.926   0.217
  127   3HD2  LEU  15          HD23      LEU  15  -1.025  -8.979  -1.175
  128    H    ASP  16           HN       ASP  16  -2.018 -13.564   3.172
  129    HA   ASP  16           HA       ASP  16  -4.327 -15.070   2.342
  130   1HB   ASP  16           HB2      ASP  16  -2.093 -15.982   3.226
  131   2HB   ASP  16           HB1      ASP  16  -2.705 -15.602   4.838
  132    H    ALA  17           HN       ALA  17  -3.598 -13.037   5.131
  133    HA   ALA  17           HA       ALA  17  -5.880 -13.784   6.711
  134   1HB   ALA  17           HB3      ALA  17  -3.796 -12.547   7.498
  135   2HB   ALA  17           HB2      ALA  17  -4.487 -11.103   6.758
  136   3HB   ALA  17           HB1      ALA  17  -5.330 -11.900   8.083
  137    H    ALA  18           HN       ALA  18  -5.379 -11.303   4.237
  138    HA   ALA  18           HA       ALA  18  -7.836  -9.886   4.651
  139   1HB   ALA  18           HB2      ALA  18  -6.056 -10.257   2.237
  140   2HB   ALA  18           HB1      ALA  18  -7.506  -9.256   2.183
  141   3HB   ALA  18           HB3      ALA  18  -6.185  -8.840   3.276
  142    H    GLY  19           HN       GLY  19  -7.022 -12.825   2.939
  143   1HA   GLY  19           HA2      GLY  19  -8.411 -14.481   2.039
  144   2HA   GLY  19           HA1      GLY  19  -9.763 -13.695   2.863
  145    H    ASP  20           HN       ASP  20 -11.303 -13.174   1.388
  146    HA   ASP  20           HA       ASP  20 -10.527 -12.532  -1.393
  147   1HB   ASP  20           HB2      ASP  20 -13.258 -12.851  -0.115
  148   2HB   ASP  20           HB1      ASP  20 -12.952 -12.632  -1.839
  149    H    LYS  21           HN       LYS  21 -10.710 -10.712   1.343
  150    HA   LYS  21           HA       LYS  21 -12.318  -8.477   0.382
  151   1HB   LYS  21           HB2      LYS  21 -10.191  -8.643   2.547
  152   2HB   LYS  21           HB1      LYS  21 -11.187  -7.223   2.239
  153   1HG   LYS  21           HG2      LYS  21 -13.201  -8.853   2.543
  154   2HG   LYS  21           HG1      LYS  21 -12.020  -9.917   3.313
  155   1HD   LYS  21           HD2      LYS  21 -11.376  -7.904   4.765
  156   2HD   LYS  21           HD1      LYS  21 -12.842  -7.129   4.160
  157   1HE   LYS  21           HE2      LYS  21 -14.163  -9.079   4.965
  158   2HE   LYS  21           HE1      LYS  21 -12.689  -9.761   5.649
  159   1HZ   LYS  21           HZ2      LYS  21 -13.366  -7.011   6.355
  160   2HZ   LYS  21           HZ1      LYS  21 -14.291  -8.248   7.058
  161   3HZ   LYS  21           HZ3      LYS  21 -12.610  -8.213   7.286
  162    H    LEU  22           HN       LEU  22 -11.485  -6.472  -0.508
  163    HA   LEU  22           HA       LEU  22  -9.296  -6.694  -2.303
  164   1HB   LEU  22           HB2      LEU  22 -11.293  -4.846  -1.851
  165   2HB   LEU  22           HB1      LEU  22  -9.896  -3.975  -1.251
  166    HG   LEU  22           HG       LEU  22 -10.280  -5.114  -4.028
  167   1HD1  LEU  22          HD12      LEU  22 -10.696  -2.464  -2.797
  168   2HD1  LEU  22          HD11      LEU  22  -9.623  -2.388  -4.191
  169   3HD1  LEU  22          HD13      LEU  22 -11.236  -3.078  -4.353
  170   1HD2  LEU  22          HD21      LEU  22  -7.834  -3.961  -2.675
  171   2HD2  LEU  22          HD23      LEU  22  -7.958  -5.416  -3.664
  172   3HD2  LEU  22          HD22      LEU  22  -8.040  -3.831  -4.415
  173    H    VAL  23           HN       VAL  23  -7.161  -5.538  -2.083
  174    HA   VAL  23           HA       VAL  23  -6.305  -4.940   0.686
  175    HB   VAL  23           HB       VAL  23  -4.945  -6.996  -1.091
  176   1HG1  VAL  23          HG12      VAL  23  -4.215  -5.732   1.555
  177   2HG1  VAL  23          HG11      VAL  23  -3.559  -7.291   1.057
  178   3HG1  VAL  23          HG13      VAL  23  -3.239  -5.852   0.091
  179   1HG2  VAL  23          HG23      VAL  23  -6.508  -7.242   1.488
  180   2HG2  VAL  23          HG22      VAL  23  -6.888  -7.976  -0.066
  181   3HG2  VAL  23          HG21      VAL  23  -5.479  -8.516   0.840
  182    H    VAL  24           HN       VAL  24  -5.281  -3.025   0.489
  183    HA   VAL  24           HA       VAL  24  -3.887  -2.395  -2.087
  184    HB   VAL  24           HB       VAL  24  -4.772  -0.502   0.123
  185   1HG1  VAL  24          HG11      VAL  24  -2.850   0.271  -1.255
  186   2HG1  VAL  24          HG13      VAL  24  -3.806   0.014  -2.712
  187   3HG1  VAL  24          HG12      VAL  24  -4.294   1.241  -1.546
  188   1HG2  VAL  24          HG22      VAL  24  -6.058  -1.339  -2.483
  189   2HG2  VAL  24          HG21      VAL  24  -6.765  -1.353  -0.867
  190   3HG2  VAL  24          HG23      VAL  24  -6.463   0.179  -1.686
  191    H    VAL  25           HN       VAL  25  -1.677  -1.850  -1.989
  192    HA   VAL  25           HA       VAL  25  -0.386  -2.021   0.722
  193    HB   VAL  25           HB       VAL  25   0.744  -3.051  -1.902
  194   1HG1  VAL  25          HG12      VAL  25   2.408  -2.265  -0.221
  195   2HG1  VAL  25          HG11      VAL  25   1.691  -3.362   0.954
  196   3HG1  VAL  25          HG13      VAL  25   2.488  -4.008  -0.477
  197   1HG2  VAL  25          HG23      VAL  25  -1.229  -4.354  -0.964
  198   2HG2  VAL  25          HG22      VAL  25   0.271  -5.271  -1.090
  199   3HG2  VAL  25          HG21      VAL  25  -0.253  -4.649   0.476
  200    H    ASP  26           HN       ASP  26   0.566  -0.139   1.210
  201    HA   ASP  26           HA       ASP  26   1.263   1.750  -0.990
  202   1HB   ASP  26           HB2      ASP  26  -0.137   2.590   0.836
  203   2HB   ASP  26           HB1      ASP  26   1.106   2.146   2.007
  204    H    PHE  27           HN       PHE  27   3.330   1.440  -1.729
  205    HA   PHE  27           HA       PHE  27   5.504   0.762   0.199
  206   1HB   PHE  27           HB2      PHE  27   5.451   1.149  -2.824
  207   2HB   PHE  27           HB1      PHE  27   6.929   0.871  -1.909
  208    HD1  PHE  27           HD1      PHE  27   7.307  -1.267  -0.741
  209    HD2  PHE  27           HD2      PHE  27   3.873  -0.637  -3.243
  210    HE1  PHE  27           HE1      PHE  27   6.929  -3.716  -0.841
  211    HE2  PHE  27           HE2      PHE  27   3.493  -3.086  -3.333
  212    HZ   PHE  27           HZ       PHE  27   5.019  -4.626  -2.135
  213    H    SER  28           HN       SER  28   5.846   2.615   1.379
  214    HA   SER  28           HA       SER  28   6.593   5.101  -0.136
  215   1HB   SER  28           HB2      SER  28   5.075   4.939   2.498
  216   2HB   SER  28           HB1      SER  28   5.597   6.422   1.701
  217    HG   SER  28           HG       SER  28   3.861   4.461   0.588
  218    H    ALA  29           HN       ALA  29   8.425   6.168   0.738
  219    HA   ALA  29           HA       ALA  29  10.054   4.485   2.530
  220   1HB   ALA  29           HB2      ALA  29  10.502   6.799   0.713
  221   2HB   ALA  29           HB1      ALA  29  11.508   6.802   2.158
  222   3HB   ALA  29           HB3      ALA  29  11.558   5.431   1.048
  223    H    THR  30           HN       THR  30   9.965   4.733   4.698
  224    HA   THR  30           HA       THR  30   8.327   6.732   5.933
  225    HB   THR  30           HB       THR  30   8.871   4.589   7.034
  226    HG1  THR  30           HG1      THR  30   8.586   5.647   8.795
  227   1HG2  THR  30          HG21      THR  30  11.184   4.373   6.200
  228   2HG2  THR  30          HG23      THR  30  11.678   5.708   7.242
  229   3HG2  THR  30          HG22      THR  30  11.110   4.198   7.954
  230    H    TRP  31           HN       TRP  31  11.691   6.588   4.999
  231    HA   TRP  31           HA       TRP  31  12.459   8.964   6.526
  232   1HB   TRP  31           HB2      TRP  31  14.561   8.809   5.272
  233   2HB   TRP  31           HB1      TRP  31  14.100   7.236   5.923
  234    HD1  TRP  31           HD1      TRP  31  13.404   5.361   4.258
  235    HE1  TRP  31           HE1      TRP  31  13.641   5.086   1.706
  236    HE3  TRP  31           HE3      TRP  31  14.393  10.189   2.942
  237    HZ2  TRP  31           HZ2      TRP  31  14.138   6.699  -0.585
  238    HZ3  TRP  31           HZ3      TRP  31  14.715  10.794   0.560
  239    HH2  TRP  31           HH2      TRP  31  14.586   9.056  -1.203
  240    H    CYS  32           HN       CYS  32  10.748   8.527   3.585
  241    HA   CYS  32           HA       CYS  32  11.745  11.049   2.404
  242   1HB   CYS  32           HB2      CYS  32  11.123   9.034   1.011
  243   2HB   CYS  32           HB1      CYS  32   9.451   9.294   1.474
  244    H    GLY  33           HN       GLY  33  11.010  12.900   3.161
  245   1HA   GLY  33           HA2      GLY  33   8.858  13.203   4.967
  246   2HA   GLY  33           HA1      GLY  33   9.611  14.519   4.074
  247    HA   PRO  34           HA       PRO  34   6.155  14.947   1.398
  248   1HB   PRO  34           HB2      PRO  34   6.879  13.885  -1.133
  249   2HB   PRO  34           HB1      PRO  34   7.079  15.553  -0.584
  250   1HG   PRO  34           HG2      PRO  34   9.116  13.441  -0.890
  251   2HG   PRO  34           HG1      PRO  34   9.329  15.192  -0.776
  252   1HD   PRO  34           HD2      PRO  34   9.932  13.339   1.251
  253   2HD   PRO  34           HD1      PRO  34   9.762  15.088   1.490
  254    H    ALA  35           HN       ALA  35   7.459  11.655   1.230
  255    HA   ALA  35           HA       ALA  35   4.960  10.507   0.254
  256   1HB   ALA  35           HB3      ALA  35   7.307   9.494   0.026
  257   2HB   ALA  35           HB2      ALA  35   7.141   9.009   1.711
  258   3HB   ALA  35           HB1      ALA  35   6.015   8.394   0.501
  259    H    LYS  36           HN       LYS  36   6.587  10.614   3.422
  260    HA   LYS  36           HA       LYS  36   4.600   9.219   4.905
  261   1HB   LYS  36           HB2      LYS  36   6.917   9.871   5.691
  262   2HB   LYS  36           HB1      LYS  36   6.296  11.510   5.918
  263   1HG   LYS  36           HG2      LYS  36   4.503  10.561   7.396
  264   2HG   LYS  36           HG1      LYS  36   5.298   8.990   7.273
  265   1HD   LYS  36           HD2      LYS  36   7.339   9.915   8.258
  266   2HD   LYS  36           HD1      LYS  36   6.608  11.519   8.315
  267   1HE   LYS  36           HE2      LYS  36   4.852  10.658   9.833
  268   2HE   LYS  36           HE1      LYS  36   5.604   9.063   9.787
  269   1HZ   LYS  36           HZ2      LYS  36   7.164  11.441  10.565
  270   2HZ   LYS  36           HZ1      LYS  36   6.189  10.640  11.703
  271   3HZ   LYS  36           HZ3      LYS  36   7.450   9.807  10.934
  272    H    MET  37           HN       MET  37   4.828  12.558   3.846
  273    HA   MET  37           HA       MET  37   2.813  13.700   5.493
  274   1HB   MET  37           HB2      MET  37   4.372  15.010   4.066
  275   2HB   MET  37           HB1      MET  37   3.519  14.438   2.639
  276   1HG   MET  37           HG2      MET  37   2.049  15.842   4.871
  277   2HG   MET  37           HG1      MET  37   2.854  16.757   3.598
  278   1HE   MET  37           HE2      MET  37   2.690  16.390   1.310
  279   2HE   MET  37           HE1      MET  37   2.148  14.802   0.785
  280   3HE   MET  37           HE3      MET  37   1.154  16.228   0.465
  281    H    ILE  38           HN       ILE  38   2.623  11.718   2.624
  282    HA   ILE  38           HA       ILE  38  -0.212  12.254   2.189
  283    HB   ILE  38           HB       ILE  38   1.392   9.969   1.016
  284   1HG1  ILE  38          HG12      ILE  38   1.062  12.693  -0.287
  285   2HG1  ILE  38          HG11      ILE  38   2.467  12.312   0.708
  286   1HG2  ILE  38          HG22      ILE  38  -1.141  11.432   0.257
  287   2HG2  ILE  38          HG21      ILE  38  -0.240  10.467  -0.906
  288   3HG2  ILE  38          HG23      ILE  38  -0.906   9.710   0.535
  289   1HD1  ILE  38          HD11      ILE  38   2.824  10.269  -0.738
  290   2HD1  ILE  38          HD13      ILE  38   1.579  10.899  -1.812
  291   3HD1  ILE  38          HD12      ILE  38   3.071  11.805  -1.551
  292    H    LYS  39           HN       LYS  39   1.389  10.314   4.481
  293    HA   LYS  39           HA       LYS  39  -0.156   7.949   4.335
  294   1HB   LYS  39           HB2      LYS  39   0.595   7.346   6.471
  295   2HB   LYS  39           HB1      LYS  39   1.890   8.332   5.822
  296   1HG   LYS  39           HG2      LYS  39   1.399  10.144   7.256
  297   2HG   LYS  39           HG1      LYS  39  -0.236   9.586   7.593
  298   1HD   LYS  39           HD2      LYS  39   2.294   8.175   8.487
  299   2HD   LYS  39           HD1      LYS  39   1.322   9.241   9.501
  300   1HE   LYS  39           HE2      LYS  39   0.306   7.271  10.111
  301   2HE   LYS  39           HE1      LYS  39  -0.614   7.523   8.630
  302   1HZ   LYS  39           HZ2      LYS  39   1.958   6.222   8.311
  303   2HZ   LYS  39           HZ1      LYS  39   0.782   5.323   9.149
  304   3HZ   LYS  39           HZ3      LYS  39   0.462   5.881   7.578
  305    HA   PRO  40           HA       PRO  40  -3.304  10.073   7.383
  306   1HB   PRO  40           HB2      PRO  40  -3.729  12.602   5.879
  307   2HB   PRO  40           HB1      PRO  40  -3.598  12.343   7.631
  308   1HG   PRO  40           HG2      PRO  40  -1.634  13.546   6.220
  309   2HG   PRO  40           HG1      PRO  40  -1.281  12.507   7.610
  310   1HD   PRO  40           HD2      PRO  40  -1.037  11.905   4.700
  311   2HD   PRO  40           HD1      PRO  40   0.013  11.375   6.029
  312    H    PHE  41           HN       PHE  41  -3.371  10.854   3.875
  313    HA   PHE  41           HA       PHE  41  -6.216  10.355   3.643
  314   1HB   PHE  41           HB2      PHE  41  -3.941  10.460   1.657
  315   2HB   PHE  41           HB1      PHE  41  -5.571  10.030   1.172
  316    HD1  PHE  41           HD2      PHE  41  -3.569  12.693   2.826
  317    HD2  PHE  41           HD1      PHE  41  -7.219  11.670   0.806
  318    HE1  PHE  41           HE2      PHE  41  -4.160  15.100   2.676
  319    HE2  PHE  41           HE1      PHE  41  -7.812  14.075   0.654
  320    HZ   PHE  41           HZ       PHE  41  -6.280  15.789   1.587
  321    H    PHE  42           HN       PHE  42  -3.306   8.440   2.906
  322    HA   PHE  42           HA       PHE  42  -4.674   6.078   2.074
  323   1HB   PHE  42           HB2      PHE  42  -2.294   6.469   1.624
  324   2HB   PHE  42           HB1      PHE  42  -1.936   6.404   3.357
  325    HD1  PHE  42           HD1      PHE  42  -3.135   4.385   0.448
  326    HD2  PHE  42           HD2      PHE  42  -1.770   4.353   4.515
  327    HE1  PHE  42           HE1      PHE  42  -2.975   1.911   0.376
  328    HE2  PHE  42           HE2      PHE  42  -1.608   1.885   4.446
  329    HZ   PHE  42           HZ       PHE  42  -2.211   0.658   2.377
  330    H    HIS  43           HN       HIS  43  -3.331   6.971   5.230
  331    HA   HIS  43           HA       HIS  43  -4.325   4.692   6.659
  332   1HB   HIS  43           HB2      HIS  43  -2.438   6.043   7.420
  333   2HB   HIS  43           HB1      HIS  43  -3.488   7.445   7.604
  334    HD1  HIS  43           HD1      HIS  43  -2.523   4.240   9.232
  335    HD2  HIS  43           HD2      HIS  43  -5.307   7.280   9.794
  336    HE1  HIS  43           HE1      HIS  43  -3.534   3.869  11.528
  337    H    SER  44           HN       SER  44  -5.657   7.975   6.178
  338    HA   SER  44           HA       SER  44  -7.823   7.664   8.013
  339   1HB   SER  44           HB2      SER  44  -7.620   9.405   5.544
  340   2HB   SER  44           HB1      SER  44  -8.920   9.503   6.724
  341    HG   SER  44           HG       SER  44  -7.617  10.724   7.813
  342    H    LEU  45           HN       LEU  45  -7.545   6.892   4.567
  343    HA   LEU  45           HA       LEU  45 -10.259   6.295   4.058
  344   1HB   LEU  45           HB2      LEU  45  -7.722   5.219   2.848
  345   2HB   LEU  45           HB1      LEU  45  -9.308   4.819   2.214
  346    HG   LEU  45           HG       LEU  45  -8.493   7.705   2.627
  347   1HD1  LEU  45          HD11      LEU  45  -6.760   6.664   1.204
  348   2HD1  LEU  45          HD13      LEU  45  -8.018   6.030   0.143
  349   3HD1  LEU  45          HD12      LEU  45  -7.767   7.770   0.270
  350   1HD2  LEU  45          HD21      LEU  45 -10.548   6.258   0.945
  351   2HD2  LEU  45          HD23      LEU  45 -10.816   7.491   2.174
  352   3HD2  LEU  45          HD22      LEU  45 -10.093   7.928   0.630
  353    H    SER  46           HN       SER  46  -7.820   4.408   5.699
  354    HA   SER  46           HA       SER  46  -8.824   1.803   5.485
  355   1HB   SER  46           HB2      SER  46  -7.797   3.187   7.977
  356   2HB   SER  46           HB1      SER  46  -7.926   1.442   7.771
  357    HG   SER  46           HG       SER  46  -6.024   3.165   6.894
  358    H    GLU  47           HN       GLU  47 -10.012   4.486   7.456
  359    HA   GLU  47           HA       GLU  47 -12.139   2.773   8.598
  360   1HB   GLU  47           HB2      GLU  47 -11.465   5.724   8.925
  361   2HB   GLU  47           HB1      GLU  47 -12.842   4.938   9.698
  362   1HG   GLU  47           HG2      GLU  47 -11.064   4.890  11.302
  363   2HG   GLU  47           HG1      GLU  47 -11.193   3.254  10.660
  364    H    LYS  48           HN       LYS  48 -11.635   4.804   5.846
  365    HA   LYS  48           HA       LYS  48 -14.461   5.502   5.526
  366   1HB   LYS  48           HB2      LYS  48 -12.597   6.870   4.500
  367   2HB   LYS  48           HB1      LYS  48 -12.306   5.524   3.394
  368   1HG   LYS  48           HG2      LYS  48 -14.669   5.658   2.641
  369   2HG   LYS  48           HG1      LYS  48 -14.894   7.067   3.676
  370   1HD   LYS  48           HD2      LYS  48 -13.099   8.246   2.443
  371   2HD   LYS  48           HD1      LYS  48 -12.913   6.840   1.393
  372   1HE   LYS  48           HE2      LYS  48 -15.291   7.075   0.702
  373   2HE   LYS  48           HE1      LYS  48 -15.416   8.525   1.694
  374   1HZ   LYS  48           HZ1      LYS  48 -13.200   8.994   0.226
  375   2HZ   LYS  48           HZ3      LYS  48 -14.183   8.165  -0.881
  376   3HZ   LYS  48           HZ2      LYS  48 -14.754   9.583  -0.136
  377    H    TYR  49           HN       TYR  49 -12.218   3.044   4.431
  378    HA   TYR  49           HA       TYR  49 -14.528   1.452   3.348
  379   1HB   TYR  49           HB2      TYR  49 -11.660   1.531   2.326
  380   2HB   TYR  49           HB1      TYR  49 -12.902   0.413   1.762
  381    HD1  TYR  49           HD2      TYR  49 -15.139   1.508   0.916
  382    HD2  TYR  49           HD1      TYR  49 -11.397   3.593   1.234
  383    HE1  TYR  49           HE2      TYR  49 -15.950   3.212  -0.692
  384    HE2  TYR  49           HE1      TYR  49 -12.211   5.294  -0.374
  385    HH   TYR  49           HH       TYR  49 -14.777   6.115  -1.050
  386    H    SER  50           HN       SER  50 -14.417   0.943   5.754
  387    HA   SER  50           HA       SER  50 -12.242  -0.561   6.842
  388   1HB   SER  50           HB2      SER  50 -13.757  -1.067   8.637
  389   2HB   SER  50           HB1      SER  50 -14.106   0.571   8.123
  390    HG   SER  50           HG       SER  50 -15.567  -0.946   6.599
  391    H    ASN  51           HN       ASN  51 -14.453  -1.295   4.417
  392    HA   ASN  51           HA       ASN  51 -14.486  -4.209   4.947
  393   1HB   ASN  51           HB2      ASN  51 -16.474  -2.884   3.966
  394   2HB   ASN  51           HB1      ASN  51 -15.535  -2.816   2.473
  395   1HD2  ASN  51          HD22      ASN  51 -16.438  -6.096   1.553
  396   2HD2  ASN  51          HD21      ASN  51 -15.838  -4.580   1.080
  397    H    VAL  52           HN       VAL  52 -12.207  -2.221   4.008
  398    HA   VAL  52           HA       VAL  52 -11.040  -4.091   1.992
  399    HB   VAL  52           HB       VAL  52 -10.979  -1.060   2.026
  400   1HG1  VAL  52          HG12      VAL  52  -9.138  -3.044   0.707
  401   2HG1  VAL  52          HG11      VAL  52  -9.499  -1.521  -0.107
  402   3HG1  VAL  52          HG13      VAL  52  -8.749  -1.517   1.487
  403   1HG2  VAL  52          HG21      VAL  52 -11.879  -3.137   0.011
  404   2HG2  VAL  52          HG23      VAL  52 -12.900  -1.993   0.881
  405   3HG2  VAL  52          HG22      VAL  52 -11.764  -1.416  -0.340
  406    H    ILE  53           HN       ILE  53  -8.759  -4.493   2.337
  407    HA   ILE  53           HA       ILE  53  -7.814  -3.640   5.059
  408    HB   ILE  53           HB       ILE  53  -6.615  -5.733   3.233
  409   1HG1  ILE  53          HG12      ILE  53  -8.912  -6.386   3.612
  410   2HG1  ILE  53          HG11      ILE  53  -7.905  -7.361   4.674
  411   1HG2  ILE  53          HG22      ILE  53  -5.388  -4.705   5.306
  412   2HG2  ILE  53          HG21      ILE  53  -6.515  -5.674   6.248
  413   3HG2  ILE  53          HG23      ILE  53  -5.415  -6.456   5.115
  414   1HD1  ILE  53          HD13      ILE  53  -8.355  -5.536   6.454
  415   2HD1  ILE  53          HD12      ILE  53  -9.657  -5.008   5.388
  416   3HD1  ILE  53          HD11      ILE  53  -9.677  -6.637   6.063
  417    H    PHE  54           HN       PHE  54  -6.361  -1.986   5.151
  418    HA   PHE  54           HA       PHE  54  -4.761  -1.316   2.703
  419   1HB   PHE  54           HB2      PHE  54  -5.385   0.283   5.206
  420   2HB   PHE  54           HB1      PHE  54  -4.299   0.836   3.934
  421    HD1  PHE  54           HD1      PHE  54  -7.782  -0.367   4.525
  422    HD2  PHE  54           HD2      PHE  54  -5.176   1.985   2.046
  423    HE1  PHE  54           HE1      PHE  54  -9.746   0.514   3.292
  424    HE2  PHE  54           HE2      PHE  54  -7.149   2.853   0.800
  425    HZ   PHE  54           HZ       PHE  54  -9.425   2.115   1.430
  426    H    LEU  55           HN       LEU  55  -2.630  -1.888   2.693
  427    HA   LEU  55           HA       LEU  55  -1.251  -2.426   5.305
  428   1HB   LEU  55           HB2      LEU  55  -0.672  -3.491   2.521
  429   2HB   LEU  55           HB1      LEU  55   0.445  -3.673   3.870
  430    HG   LEU  55           HG       LEU  55  -1.106  -5.061   5.066
  431   1HD1  LEU  55          HD13      LEU  55  -3.097  -4.124   3.007
  432   2HD1  LEU  55          HD12      LEU  55  -3.351  -5.621   3.906
  433   3HD1  LEU  55          HD11      LEU  55  -3.216  -4.098   4.767
  434   1HD2  LEU  55          HD21      LEU  55   0.158  -5.994   3.030
  435   2HD2  LEU  55          HD23      LEU  55  -1.204  -6.946   3.619
  436   3HD2  LEU  55          HD22      LEU  55  -1.388  -5.934   2.187
  437    H    GLU  56           HN       GLU  56   0.675  -1.415   5.717
  438    HA   GLU  56           HA       GLU  56   1.569   0.688   3.772
  439   1HB   GLU  56           HB2      GLU  56   0.692   1.511   6.003
  440   2HB   GLU  56           HB1      GLU  56   2.009   0.628   6.776
  441   1HG   GLU  56           HG2      GLU  56   3.632   1.909   5.355
  442   2HG   GLU  56           HG1      GLU  56   2.285   2.868   4.749
  443    H    VAL  57           HN       VAL  57   3.638   0.380   2.989
  444    HA   VAL  57           HA       VAL  57   5.351  -1.646   4.412
  445    HB   VAL  57           HB       VAL  57   5.091  -1.223   1.426
  446   1HG1  VAL  57          HG12      VAL  57   6.590  -3.223   3.134
  447   2HG1  VAL  57          HG11      VAL  57   6.389  -3.368   1.393
  448   3HG1  VAL  57          HG13      VAL  57   7.298  -2.012   2.061
  449   1HG2  VAL  57          HG23      VAL  57   4.056  -3.427   3.239
  450   2HG2  VAL  57          HG22      VAL  57   3.067  -2.222   2.419
  451   3HG2  VAL  57          HG21      VAL  57   3.956  -3.422   1.478
  452    H    ASP  58           HN       ASP  58   7.398  -1.062   4.814
  453    HA   ASP  58           HA       ASP  58   8.365   1.618   3.903
  454   1HB   ASP  58           HB2      ASP  58   8.351   0.893   6.361
  455   2HB   ASP  58           HB1      ASP  58   9.603  -0.277   5.912
  456    H    VAL  59           HN       VAL  59   9.723   1.560   2.145
  457    HA   VAL  59           HA       VAL  59  10.844  -0.918   1.166
  458    HB   VAL  59           HB       VAL  59  12.047   0.518  -0.425
  459   1HG1  VAL  59          HG11      VAL  59   9.640  -0.005  -0.757
  460   2HG1  VAL  59          HG13      VAL  59   9.217   1.468   0.110
  461   3HG1  VAL  59          HG12      VAL  59  10.065   1.569  -1.430
  462   1HG2  VAL  59          HG23      VAL  59  11.010   2.759   1.331
  463   2HG2  VAL  59          HG22      VAL  59  12.698   2.340   1.053
  464   3HG2  VAL  59          HG21      VAL  59  11.727   2.997  -0.261
  465    H    ASP  60           HN       ASP  60  11.785   1.369   3.556
  466    HA   ASP  60           HA       ASP  60  14.641   0.589   3.416
  467   1HB   ASP  60           HB2      ASP  60  13.043   2.603   4.979
  468   2HB   ASP  60           HB1      ASP  60  14.684   2.205   5.445
  469    H    ASP  61           HN       ASP  61  11.865   0.196   5.647
  470    HA   ASP  61           HA       ASP  61  13.552  -1.604   7.346
  471   1HB   ASP  61           HB2      ASP  61  10.750  -0.508   7.805
  472   2HB   ASP  61           HB1      ASP  61  11.622  -1.550   8.919
  473    H    ALA  62           HN       ALA  62  11.359  -1.617   4.809
  474    HA   ALA  62           HA       ALA  62  10.852  -4.543   5.138
  475   1HB   ALA  62           HB1      ALA  62   8.874  -2.625   5.262
  476   2HB   ALA  62           HB3      ALA  62   8.849  -3.032   3.548
  477   3HB   ALA  62           HB2      ALA  62   8.601  -4.290   4.758
  478    H    GLN  63           HN       GLN  63  13.030  -3.328   3.891
  479    HA   GLN  63           HA       GLN  63  12.758  -2.860   1.111
  480   1HB   GLN  63           HB2      GLN  63  15.151  -3.182   0.995
  481   2HB   GLN  63           HB1      GLN  63  14.795  -2.394   2.533
  482   1HG   GLN  63           HG2      GLN  63  14.805  -4.670   3.618
  483   2HG   GLN  63           HG1      GLN  63  15.378  -5.336   2.088
  484   1HE2  GLN  63          HE22      GLN  63  18.052  -3.735   4.567
  485   2HE2  GLN  63          HE21      GLN  63  16.484  -4.192   5.028
  486    H    ASP  64           HN       ASP  64  12.836  -5.841   2.944
  487    HA   ASP  64           HA       ASP  64  13.435  -7.590   0.759
  488   1HB   ASP  64           HB2      ASP  64  12.310  -9.331   2.214
  489   2HB   ASP  64           HB1      ASP  64  13.602  -8.434   3.008
  490    H    VAL  65           HN       VAL  65  10.396  -6.224   2.012
  491    HA   VAL  65           HA       VAL  65   8.670  -7.773   0.297
  492    HB   VAL  65           HB       VAL  65   8.081  -4.990   1.341
  493   1HG1  VAL  65          HG12      VAL  65   6.466  -6.051  -0.213
  494   2HG1  VAL  65          HG11      VAL  65   6.319  -7.414   0.897
  495   3HG1  VAL  65          HG13      VAL  65   5.783  -5.808   1.395
  496   1HG2  VAL  65          HG22      VAL  65   8.192  -7.611   2.822
  497   2HG2  VAL  65          HG21      VAL  65   8.869  -6.059   3.285
  498   3HG2  VAL  65          HG23      VAL  65   7.127  -6.313   3.351
  499    H    ALA  66           HN       ALA  66  10.073  -4.529   0.086
  500    HA   ALA  66           HA       ALA  66   8.878  -3.879  -2.447
  501   1HB   ALA  66           HB3      ALA  66   9.896  -2.334  -0.604
  502   2HB   ALA  66           HB2      ALA  66  11.421  -2.621  -1.444
  503   3HB   ALA  66           HB1      ALA  66  10.068  -1.873  -2.298
  504    H    SER  67           HN       SER  67  12.046  -5.218  -1.516
  505    HA   SER  67           HA       SER  67  13.258  -5.053  -4.091
  506   1HB   SER  67           HB2      SER  67  14.817  -6.754  -3.286
  507   2HB   SER  67           HB1      SER  67  14.490  -5.604  -1.998
  508    HG   SER  67           HG       SER  67  14.008  -8.261  -2.107
  509    H    GLU  68           HN       GLU  68  11.112  -7.488  -2.691
  510    HA   GLU  68           HA       GLU  68  11.387  -9.446  -4.749
  511   1HB   GLU  68           HB2      GLU  68  10.217  -9.761  -2.525
  512   2HB   GLU  68           HB1      GLU  68   8.868  -8.830  -3.175
  513   1HG   GLU  68           HG2      GLU  68   9.950 -11.274  -4.592
  514   2HG   GLU  68           HG1      GLU  68   8.700 -11.391  -3.359
  515    H    ALA  69           HN       ALA  69   9.355  -6.561  -4.463
  516    HA   ALA  69           HA       ALA  69   8.008  -7.139  -7.014
  517   1HB   ALA  69           HB3      ALA  69   7.804  -4.849  -5.056
  518   2HB   ALA  69           HB2      ALA  69   6.873  -4.936  -6.552
  519   3HB   ALA  69           HB1      ALA  69   6.645  -6.156  -5.298
  520    H    GLU  70           HN       GLU  70  10.973  -5.853  -6.276
  521    HA   GLU  70           HA       GLU  70  12.462  -4.488  -7.469
  522   1HB   GLU  70           HB2      GLU  70  10.563  -5.024  -9.774
  523   2HB   GLU  70           HB1      GLU  70  12.197  -4.390  -9.906
  524   1HG   GLU  70           HG2      GLU  70  11.540  -7.050  -8.646
  525   2HG   GLU  70           HG1      GLU  70  12.012  -6.854 -10.331
  526    H    VAL  71           HN       VAL  71  10.800  -2.966  -5.941
  527    HA   VAL  71           HA       VAL  71   9.200  -1.118  -7.460
  528    HB   VAL  71           HB       VAL  71  10.613  -0.552  -4.830
  529   1HG1  VAL  71          HG13      VAL  71   8.182   0.596  -6.242
  530   2HG1  VAL  71          HG12      VAL  71   8.570   0.934  -4.558
  531   3HG1  VAL  71          HG11      VAL  71   9.681   1.435  -5.839
  532   1HG2  VAL  71          HG21      VAL  71   8.040  -2.027  -5.474
  533   2HG2  VAL  71          HG23      VAL  71   9.370  -2.554  -4.445
  534   3HG2  VAL  71          HG22      VAL  71   8.298  -1.264  -3.908
  535    H    LYS  72           HN       LYS  72   9.821   0.591  -8.665
  536    HA   LYS  72           HA       LYS  72  12.714   1.276  -8.725
  537   1HB   LYS  72           HB2      LYS  72  10.505   1.826 -10.717
  538   2HB   LYS  72           HB1      LYS  72  12.209   2.214 -10.945
  539   1HG   LYS  72           HG2      LYS  72  11.283  -0.619 -10.361
  540   2HG   LYS  72           HG1      LYS  72  11.359   0.017 -12.002
  541   1HD   LYS  72           HD2      LYS  72  13.797   0.620 -11.530
  542   2HD   LYS  72           HD1      LYS  72  13.650  -0.339 -10.057
  543   1HE   LYS  72           HE2      LYS  72  13.019  -2.306 -11.347
  544   2HE   LYS  72           HE1      LYS  72  13.043  -1.366 -12.839
  545   1HZ   LYS  72           HZ2      LYS  72  15.448  -1.364 -11.177
  546   2HZ   LYS  72           HZ1      LYS  72  15.105  -2.765 -12.071
  547   3HZ   LYS  72           HZ3      LYS  72  15.295  -1.282 -12.866
  548    H    ALA  73           HN       ALA  73   9.723   2.453  -7.588
  549    HA   ALA  73           HA       ALA  73  10.983   4.960  -6.814
  550   1HB   ALA  73           HB3      ALA  73   8.944   4.891  -9.023
  551   2HB   ALA  73           HB2      ALA  73   9.113   6.317  -7.996
  552   3HB   ALA  73           HB1      ALA  73  10.478   5.759  -8.962
  553    H    THR  74           HN       THR  74   9.710   6.178  -5.326
  554    HA   THR  74           HA       THR  74   7.211   4.854  -4.321
  555    HB   THR  74           HB       THR  74   7.962   5.219  -2.032
  556    HG1  THR  74           HG1      THR  74  10.150   6.548  -3.226
  557   1HG2  THR  74          HG23      THR  74   8.939   3.234  -3.185
  558   2HG2  THR  74          HG22      THR  74  10.350   4.214  -3.574
  559   3HG2  THR  74          HG21      THR  74   9.956   3.867  -1.892
  560    HA   PRO  75           HA       PRO  75   5.845   5.560  -2.496
  561   1HB   PRO  75           HB2      PRO  75   3.303   6.659  -2.516
  562   2HB   PRO  75           HB1      PRO  75   4.557   7.063  -1.337
  563   1HG   PRO  75           HG2      PRO  75   3.559   8.662  -3.629
  564   2HG   PRO  75           HG1      PRO  75   4.319   9.201  -2.128
  565   1HD   PRO  75           HD2      PRO  75   5.573   9.034  -4.674
  566   2HD   PRO  75           HD1      PRO  75   6.395   9.289  -3.109
  567    H    THR  76           HN       THR  76   4.834   3.710  -3.269
  568    HA   THR  76           HA       THR  76   3.406   3.901  -5.902
  569    HB   THR  76           HB       THR  76   5.307   1.690  -5.071
  570    HG1  THR  76           HG1      THR  76   6.502   2.525  -6.841
  571   1HG2  THR  76          HG22      THR  76   3.577   2.145  -7.506
  572   2HG2  THR  76          HG21      THR  76   4.899   0.980  -7.468
  573   3HG2  THR  76          HG23      THR  76   3.513   0.776  -6.393
  574    H    PHE  77           HN       PHE  77   1.500   2.878  -5.942
  575    HA   PHE  77           HA       PHE  77   0.684   1.358  -3.486
  576   1HB   PHE  77           HB2      PHE  77  -1.019   2.765  -5.580
  577   2HB   PHE  77           HB1      PHE  77  -1.614   1.972  -4.122
  578    HD1  PHE  77           HD1      PHE  77  -1.092   2.898  -1.874
  579    HD2  PHE  77           HD2      PHE  77   0.060   4.920  -5.489
  580    HE1  PHE  77           HE1      PHE  77  -0.687   4.978  -0.584
  581    HE2  PHE  77           HE2      PHE  77   0.465   7.002  -4.198
  582    HZ   PHE  77           HZ       PHE  77   0.090   7.028  -1.744
  583    H    GLN  78           HN       GLN  78   0.273  -0.787  -3.742
  584    HA   GLN  78           HA       GLN  78  -0.221  -1.846  -6.503
  585   1HB   GLN  78           HB2      GLN  78   1.342  -3.091  -4.228
  586   2HB   GLN  78           HB1      GLN  78   0.815  -3.988  -5.652
  587   1HG   GLN  78           HG2      GLN  78   2.060  -2.418  -7.093
  588   2HG   GLN  78           HG1      GLN  78   2.623  -1.548  -5.666
  589   1HE2  GLN  78          HE22      GLN  78   5.420  -3.772  -6.089
  590   2HE2  GLN  78          HE21      GLN  78   4.855  -2.219  -6.476
  591    H    PHE  79           HN       PHE  79  -1.928  -3.198  -6.693
  592    HA   PHE  79           HA       PHE  79  -3.644  -3.534  -4.258
  593   1HB   PHE  79           HB2      PHE  79  -4.313  -3.484  -7.217
  594   2HB   PHE  79           HB1      PHE  79  -5.484  -3.845  -5.945
  595    HD1  PHE  79           HD2      PHE  79  -3.105  -1.265  -7.181
  596    HD2  PHE  79           HD1      PHE  79  -6.457  -2.107  -4.635
  597    HE1  PHE  79           HE2      PHE  79  -3.375   1.156  -6.740
  598    HE2  PHE  79           HE1      PHE  79  -6.728   0.317  -4.192
  599    HZ   PHE  79           HZ       PHE  79  -5.190   1.950  -5.243
  600    H    PHE  80           HN       PHE  80  -4.175  -5.516  -3.573
  601    HA   PHE  80           HA       PHE  80  -3.500  -7.867  -5.279
  602   1HB   PHE  80           HB2      PHE  80  -3.003  -7.479  -2.327
  603   2HB   PHE  80           HB1      PHE  80  -2.957  -9.055  -3.113
  604    HD1  PHE  80           HD2      PHE  80  -1.317  -5.727  -2.889
  605    HD2  PHE  80           HD1      PHE  80  -1.186  -9.668  -4.615
  606    HE1  PHE  80           HE2      PHE  80   1.021  -5.347  -3.602
  607    HE2  PHE  80           HE1      PHE  80   1.153  -9.280  -5.325
  608    HZ   PHE  80           HZ       PHE  80   2.257  -7.118  -4.819
  609    H    LYS  81           HN       LYS  81  -4.931  -9.603  -5.134
  610    HA   LYS  81           HA       LYS  81  -7.254  -9.353  -3.304
  611   1HB   LYS  81           HB2      LYS  81  -7.751  -8.197  -5.559
  612   2HB   LYS  81           HB1      LYS  81  -7.663  -9.808  -6.275
  613   1HG   LYS  81           HG2      LYS  81  -9.377 -10.564  -4.609
  614   2HG   LYS  81           HG1      LYS  81  -9.549  -8.896  -4.086
  615   1HD   LYS  81           HD2      LYS  81  -9.917  -9.765  -6.961
  616   2HD   LYS  81           HD1      LYS  81 -11.249  -9.677  -5.809
  617   1HE   LYS  81           HE2      LYS  81 -10.502  -7.247  -5.386
  618   2HE   LYS  81           HE1      LYS  81  -9.528  -7.420  -6.849
  619   1HZ   LYS  81           HZ1      LYS  81 -12.437  -7.987  -6.732
  620   2HZ   LYS  81           HZ3      LYS  81 -11.793  -6.492  -7.206
  621   3HZ   LYS  81           HZ2      LYS  81 -11.460  -7.888  -8.118
  622    H    LYS  82           HN       LYS  82  -7.536 -11.353  -2.460
  623    HA   LYS  82           HA       LYS  82  -7.344 -13.671  -2.174
  624   1HB   LYS  82           HB2      LYS  82  -7.533 -13.627  -5.217
  625   2HB   LYS  82           HB1      LYS  82  -7.596 -15.079  -4.231
  626   1HG   LYS  82           HG2      LYS  82  -9.551 -13.886  -2.994
  627   2HG   LYS  82           HG1      LYS  82  -9.601 -12.839  -4.409
  628   1HD   LYS  82           HD2      LYS  82  -9.792 -14.868  -5.856
  629   2HD   LYS  82           HD1      LYS  82  -9.883 -15.855  -4.400
  630   1HE   LYS  82           HE2      LYS  82 -12.143 -15.427  -5.193
  631   2HE   LYS  82           HE1      LYS  82 -11.891 -14.535  -3.693
  632   1HZ   LYS  82           HZ1      LYS  82 -11.045 -12.898  -5.764
  633   2HZ   LYS  82           HZ3      LYS  82 -12.540 -13.536  -6.242
  634   3HZ   LYS  82           HZ2      LYS  82 -12.408 -12.696  -4.772
  635    H    GLY  83           HN       GLY  83  -4.958 -11.901  -2.580
  636   1HA   GLY  83           HA2      GLY  83  -2.645 -12.347  -2.407
  637   2HA   GLY  83           HA1      GLY  83  -2.975 -14.033  -2.802
  638    H    GLN  84           HN       GLN  84  -4.452 -11.908  -4.992
  639    HA   GLN  84           HA       GLN  84  -2.279 -12.383  -6.997
  640   1HB   GLN  84           HB2      GLN  84  -5.229 -11.910  -7.501
  641   2HB   GLN  84           HB1      GLN  84  -4.015 -12.323  -8.707
  642   1HG   GLN  84           HG2      GLN  84  -4.794 -14.092  -6.371
  643   2HG   GLN  84           HG1      GLN  84  -5.383 -14.288  -8.019
  644   1HE2  GLN  84          HE22      GLN  84  -1.480 -15.220  -7.171
  645   2HE2  GLN  84          HE21      GLN  84  -2.329 -14.154  -6.158
  646    H    LYS  85           HN       LYS  85  -1.369 -10.638  -7.980
  647    HA   LYS  85           HA       LYS  85  -2.199  -7.952  -7.130
  648   1HB   LYS  85           HB2      LYS  85   0.197  -8.574  -7.410
  649   2HB   LYS  85           HB1      LYS  85  -0.083  -8.774  -9.138
  650   1HG   LYS  85           HG2      LYS  85  -0.848  -6.387  -9.242
  651   2HG   LYS  85           HG1      LYS  85  -0.418  -6.212  -7.543
  652   1HD   LYS  85           HD2      LYS  85   1.598  -7.206  -9.560
  653   2HD   LYS  85           HD1      LYS  85   1.333  -5.479  -9.315
  654   1HE   LYS  85           HE2      LYS  85   1.772  -5.840  -6.861
  655   2HE   LYS  85           HE1      LYS  85   2.223  -7.498  -7.235
  656   1HZ   LYS  85           HZ3      LYS  85   3.484  -5.130  -8.497
  657   2HZ   LYS  85           HZ2      LYS  85   4.117  -5.921  -7.134
  658   3HZ   LYS  85           HZ1      LYS  85   3.984  -6.746  -8.613
  659    H    VAL  86           HN       VAL  86  -3.778  -6.873  -8.176
  660    HA   VAL  86           HA       VAL  86  -4.219  -7.451 -11.082
  661    HB   VAL  86           HB       VAL  86  -6.619  -6.896 -10.656
  662   1HG1  VAL  86          HG12      VAL  86  -5.615  -9.259 -10.594
  663   2HG1  VAL  86          HG11      VAL  86  -5.702  -9.136  -8.837
  664   3HG1  VAL  86          HG13      VAL  86  -7.175  -9.049  -9.801
  665   1HG2  VAL  86          HG21      VAL  86  -6.129  -5.596  -8.531
  666   2HG2  VAL  86          HG23      VAL  86  -7.447  -6.757  -8.398
  667   3HG2  VAL  86          HG22      VAL  86  -5.863  -7.145  -7.734
  668    H    GLY  87           HN       GLY  87  -2.789  -5.166  -9.326
  669   1HA   GLY  87           HA2      GLY  87  -3.229  -3.127 -11.278
  670   2HA   GLY  87           HA1      GLY  87  -4.252  -2.779  -9.890
  671    H    GLU  88           HN       GLU  88  -2.079  -1.167 -10.871
  672    HA   GLU  88           HA       GLU  88  -0.717  -0.657  -8.386
  673   1HB   GLU  88           HB2      GLU  88   0.727  -2.480  -9.039
  674   2HB   GLU  88           HB1      GLU  88   0.867  -1.841 -10.671
  675   1HG   GLU  88           HG2      GLU  88   2.100   0.103  -9.848
  676   2HG   GLU  88           HG1      GLU  88   1.862  -0.414  -8.182
  677    H    PHE  89           HN       PHE  89   0.372   1.367  -8.415
  678    HA   PHE  89           HA       PHE  89   0.828   2.753 -10.906
  679   1HB   PHE  89           HB2      PHE  89  -0.821   4.452 -10.849
  680   2HB   PHE  89           HB1      PHE  89  -1.692   2.937 -10.636
  681    HD1  PHE  89           HD1      PHE  89  -0.317   5.885  -8.880
  682    HD2  PHE  89           HD2      PHE  89  -2.946   2.507  -8.631
  683    HE1  PHE  89           HE1      PHE  89  -1.294   6.812  -6.797
  684    HE2  PHE  89           HE2      PHE  89  -3.926   3.427  -6.541
  685    HZ   PHE  89           HZ       PHE  89  -3.107   5.584  -5.627
  686    H    SER  90           HN       SER  90   1.748   4.941 -10.519
  687    HA   SER  90           HA       SER  90   2.810   5.251  -7.722
  688   1HB   SER  90           HB2      SER  90   4.903   6.082  -8.724
  689   2HB   SER  90           HB1      SER  90   4.577   4.418  -9.216
  690    HG   SER  90           HG       SER  90   5.081   5.536 -11.054
  691    H    GLY  91           HN       GLY  91   3.490   7.454  -7.209
  692   1HA   GLY  91           HA2      GLY  91   3.520   9.843  -7.967
  693   2HA   GLY  91           HA1      GLY  91   1.970   9.539  -8.745
  694    H    ALA  92           HN       ALA  92   2.919  11.331  -6.418
  695    HA   ALA  92           HA       ALA  92   1.498  10.322  -4.090
  696   1HB   ALA  92           HB2      ALA  92   2.468  13.088  -4.860
  697   2HB   ALA  92           HB1      ALA  92   1.806  12.676  -3.277
  698   3HB   ALA  92           HB3      ALA  92   3.307  11.925  -3.832
  699    H    ASN  93           HN       ASN  93  -0.450   9.859  -5.634
  700    HA   ASN  93           HA       ASN  93  -2.303  12.218  -5.638
  701   1HB   ASN  93           HB2      ASN  93  -1.676  11.292  -7.902
  702   2HB   ASN  93           HB1      ASN  93  -2.432   9.776  -7.425
  703   1HD2  ASN  93          HD22      ASN  93  -5.356  12.445  -6.994
  704   2HD2  ASN  93          HD21      ASN  93  -4.109  12.200  -5.870
  705    H    LYS  94           HN       LYS  94  -3.230  11.827  -3.596
  706    HA   LYS  94           HA       LYS  94  -3.990   9.211  -2.635
  707   1HB   LYS  94           HB2      LYS  94  -5.316  10.551  -0.982
  708   2HB   LYS  94           HB1      LYS  94  -3.600  10.942  -1.050
  709   1HG   LYS  94           HG2      LYS  94  -5.212  12.554  -2.936
  710   2HG   LYS  94           HG1      LYS  94  -5.711  12.783  -1.269
  711   1HD   LYS  94           HD2      LYS  94  -3.314  13.217  -0.669
  712   2HD   LYS  94           HD1      LYS  94  -2.922  13.145  -2.391
  713   1HE   LYS  94           HE2      LYS  94  -4.565  14.969  -2.802
  714   2HE   LYS  94           HE1      LYS  94  -4.836  15.068  -1.054
  715   1HZ   LYS  94           HZ3      LYS  94  -2.253  15.278  -1.016
  716   2HZ   LYS  94           HZ2      LYS  94  -2.462  15.817  -2.615
  717   3HZ   LYS  94           HZ1      LYS  94  -3.218  16.642  -1.334
  718    H    GLU  95           HN       GLU  95  -5.764  11.710  -4.447
  719    HA   GLU  95           HA       GLU  95  -8.370  10.621  -4.050
  720   1HB   GLU  95           HB2      GLU  95  -7.202  12.149  -6.394
  721   2HB   GLU  95           HB1      GLU  95  -8.919  11.848  -6.162
  722   1HG   GLU  95           HG2      GLU  95  -7.177  13.296  -4.148
  723   2HG   GLU  95           HG1      GLU  95  -8.158  14.116  -5.361
  724    H    LYS  96           HN       LYS  96  -5.728   9.795  -6.166
  725    HA   LYS  96           HA       LYS  96  -7.066   8.171  -8.070
  726   1HB   LYS  96           HB2      LYS  96  -4.671   8.983  -8.089
  727   2HB   LYS  96           HB1      LYS  96  -4.304   7.715  -6.941
  728   1HG   LYS  96           HG2      LYS  96  -4.802   5.994  -8.482
  729   2HG   LYS  96           HG1      LYS  96  -5.637   7.096  -9.572
  730   1HD   LYS  96           HD2      LYS  96  -2.736   7.633  -8.952
  731   2HD   LYS  96           HD1      LYS  96  -3.126   6.327 -10.072
  732   1HE   LYS  96           HE2      LYS  96  -4.111   9.181 -10.343
  733   2HE   LYS  96           HE1      LYS  96  -2.753   8.490 -11.235
  734   1HZ   LYS  96           HZ3      LYS  96  -4.912   6.748 -11.507
  735   2HZ   LYS  96           HZ2      LYS  96  -5.500   8.311 -11.809
  736   3HZ   LYS  96           HZ1      LYS  96  -4.192   7.709 -12.705
  737    H    LEU  97           HN       LEU  97  -5.843   7.478  -4.830
  738    HA   LEU  97           HA       LEU  97  -6.107   4.649  -4.835
  739   1HB   LEU  97           HB2      LEU  97  -6.388   6.746  -2.674
  740   2HB   LEU  97           HB1      LEU  97  -6.601   5.047  -2.313
  741    HG   LEU  97           HG       LEU  97  -4.134   6.188  -3.631
  742   1HD1  LEU  97          HD13      LEU  97  -4.772   5.636  -0.720
  743   2HD1  LEU  97          HD12      LEU  97  -3.132   5.879  -1.323
  744   3HD1  LEU  97          HD11      LEU  97  -4.314   7.175  -1.442
  745   1HD2  LEU  97          HD22      LEU  97  -5.008   3.458  -2.721
  746   2HD2  LEU  97          HD21      LEU  97  -3.983   3.919  -4.077
  747   3HD2  LEU  97          HD23      LEU  97  -3.325   3.894  -2.448
  748    H    GLU  98           HN       GLU  98  -8.391   7.250  -4.263
  749    HA   GLU  98           HA       GLU  98 -10.570   5.657  -3.316
  750   1HB   GLU  98           HB2      GLU  98 -10.435   8.127  -3.138
  751   2HB   GLU  98           HB1      GLU  98 -10.676   8.255  -4.877
  752   1HG   GLU  98           HG2      GLU  98 -12.655   6.827  -3.082
  753   2HG   GLU  98           HG1      GLU  98 -12.754   8.559  -3.392
  754    H    ALA  99           HN       ALA  99  -9.714   6.650  -6.638
  755    HA   ALA  99           HA       ALA  99 -12.078   5.449  -7.785
  756   1HB   ALA  99           HB3      ALA  99 -10.735   7.229  -8.906
  757   2HB   ALA  99           HB2      ALA  99  -9.442   6.052  -9.154
  758   3HB   ALA  99           HB1      ALA  99 -11.004   5.825  -9.936
  759    H    THR 100           HN       THR 100  -8.722   4.244  -7.467
  760    HA   THR 100           HA       THR 100  -9.210   1.858  -8.961
  761    HB   THR 100           HB       THR 100  -7.218   2.152  -6.693
  762    HG1  THR 100           HG1      THR 100  -6.229   2.537  -9.153
  763   1HG2  THR 100          HG22      THR 100  -7.323   0.472  -9.220
  764   2HG2  THR 100          HG21      THR 100  -5.956   0.526  -8.099
  765   3HG2  THR 100          HG23      THR 100  -7.516  -0.119  -7.570
  766    H    ILE 101           HN       ILE 101  -9.546   2.540  -5.488
  767    HA   ILE 101           HA       ILE 101 -10.127  -0.138  -4.632
  768    HB   ILE 101           HB       ILE 101 -11.030   2.573  -3.596
  769   1HG1  ILE 101          HG12      ILE 101  -9.060   0.674  -2.300
  770   2HG1  ILE 101          HG11      ILE 101  -8.532   1.763  -3.586
  771   1HG2  ILE 101          HG21      ILE 101 -11.477  -0.214  -2.501
  772   2HG2  ILE 101          HG23      ILE 101 -11.455   1.199  -1.444
  773   3HG2  ILE 101          HG22      ILE 101 -12.656   1.074  -2.729
  774   1HD1  ILE 101          HD13      ILE 101  -9.505   3.677  -2.259
  775   2HD1  ILE 101          HD12      ILE 101  -9.797   2.545  -0.941
  776   3HD1  ILE 101          HD11      ILE 101  -8.150   2.874  -1.474
  777    H    ASN 102           HN       ASN 102 -12.244   2.541  -5.627
  778    HA   ASN 102           HA       ASN 102 -14.692   1.091  -5.471
  779   1HB   ASN 102           HB2      ASN 102 -14.494   3.582  -5.726
  780   2HB   ASN 102           HB1      ASN 102 -13.993   3.329  -7.399
  781   1HD2  ASN 102          HD22      ASN 102 -17.898   3.374  -6.561
  782   2HD2  ASN 102          HD21      ASN 102 -16.701   3.931  -5.495
  783    H    GLU 103           HN       GLU 103 -12.213   1.339  -7.934
  784    HA   GLU 103           HA       GLU 103 -13.662   0.088 -10.071
  785   1HB   GLU 103           HB2      GLU 103 -11.518   1.444 -10.226
  786   2HB   GLU 103           HB1      GLU 103 -10.674   0.022  -9.615
  787   1HG   GLU 103           HG2      GLU 103 -11.697  -1.315 -11.493
  788   2HG   GLU 103           HG1      GLU 103 -12.294   0.204 -12.164
  789    H    LEU 104           HN       LEU 104 -11.532  -1.193  -7.520
  790    HA   LEU 104           HA       LEU 104 -11.994  -3.963  -8.517
  791   1HB   LEU 104           HB2      LEU 104 -10.123  -2.894  -6.388
  792   2HB   LEU 104           HB1      LEU 104 -10.199  -4.570  -6.920
  793    HG   LEU 104           HG       LEU 104  -9.537  -2.203  -8.702
  794   1HD1  LEU 104          HD11      LEU 104  -7.807  -4.274  -7.335
  795   2HD1  LEU 104          HD13      LEU 104  -7.243  -3.303  -8.694
  796   3HD1  LEU 104          HD12      LEU 104  -7.712  -2.520  -7.184
  797   1HD2  LEU 104          HD23      LEU 104  -9.838  -5.170  -9.160
  798   2HD2  LEU 104          HD22      LEU 104 -10.386  -3.824 -10.167
  799   3HD2  LEU 104          HD21      LEU 104  -8.681  -4.258 -10.133
  800    H    VAL 105           HN       VAL 105 -13.447  -1.867  -6.292
  801    HA   VAL 105           HA       VAL 105 -13.804  -3.664  -4.077
  802    HB   VAL 105           HB       VAL 105 -14.343  -1.142  -4.116
  803   1HG1  VAL 105          HG13      VAL 105 -15.871  -1.491  -6.186
  804   2HG1  VAL 105          HG12      VAL 105 -17.074  -2.045  -5.024
  805   3HG1  VAL 105          HG11      VAL 105 -16.434  -0.403  -4.918
  806   1HG2  VAL 105          HG23      VAL 105 -16.360  -3.094  -2.976
  807   2HG2  VAL 105          HG22      VAL 105 -14.868  -2.579  -2.198
  808   3HG2  VAL 105          HG21      VAL 105 -16.170  -1.419  -2.459
  809    HA   PRO  59           HA       PRO 106  13.914  14.725 -14.139
  810   1HB   PRO  59           HB2      PRO 106  16.220  13.549 -13.247
  811   2HB   PRO  59           HB1      PRO 106  16.081  14.306 -14.846
  812   1HG   PRO  59           HG2      PRO 106  17.280  15.401 -12.337
  813   2HG   PRO  59           HG1      PRO 106  17.866  15.512 -14.007
  814   1HD   PRO  59           HD2      PRO 106  16.536  17.565 -12.768
  815   2HD   PRO  59           HD1      PRO 106  16.469  17.295 -14.524
  816    H    ALA  60           HN       ALA 107  14.850  16.225 -11.162
  817    HA   ALA  60           HA       ALA 107  13.993  13.890  -9.535
  818   1HB   ALA  60           HB1      ALA 107  15.091  16.610  -8.754
  819   2HB   ALA  60           HB3      ALA 107  14.705  15.317  -7.619
  820   3HB   ALA  60           HB2      ALA 107  15.999  15.097  -8.800
  821    H    THR  61           HN       THR 108  11.853  13.736  -9.039
  822    HA   THR  61           HA       THR 108  10.198  16.245  -8.996
  823    HB   THR  61           HB       THR 108   9.222  13.386  -9.243
  824    HG1  THR  61           HG1      THR 108  10.635  14.600 -10.975
  825   1HG2  THR  61          HG23      THR 108   7.641  15.157  -8.440
  826   2HG2  THR  61          HG22      THR 108   7.927  16.029  -9.944
  827   3HG2  THR  61          HG21      THR 108   7.165  14.439  -9.977
  828    H    LEU  62           HN       LEU 109   9.386  16.858  -7.048
  829    HA   LEU  62           HA       LEU 109  10.062  15.457  -4.632
  830   1HB   LEU  62           HB2      LEU 109   8.106  17.689  -5.209
  831   2HB   LEU  62           HB1      LEU 109   8.460  17.113  -3.582
  832    HG   LEU  62           HG       LEU 109  10.588  18.086  -5.507
  833   1HD1  LEU  62          HD13      LEU 109   8.999  19.891  -5.024
  834   2HD1  LEU  62          HD12      LEU 109   9.163  19.587  -3.294
  835   3HD1  LEU  62          HD11      LEU 109  10.538  20.192  -4.218
  836   1HD2  LEU  62          HD21      LEU 109  10.536  17.279  -2.596
  837   2HD2  LEU  62          HD23      LEU 109  11.697  16.841  -3.848
  838   3HD2  LEU  62          HD22      LEU 109  11.722  18.457  -3.154
  839    H    LYS  63           HN       LYS 110   7.258  15.422  -6.725
  840    HA   LYS  63           HA       LYS 110   5.397  14.217  -4.921
  841   1HB   LYS  63           HB2      LYS 110   5.593  13.863  -7.930
  842   2HB   LYS  63           HB1      LYS 110   4.188  13.472  -6.944
  843   1HG   LYS  63           HG2      LYS 110   5.384  16.229  -7.366
  844   2HG   LYS  63           HG1      LYS 110   3.855  15.636  -8.011
  845   1HD   LYS  63           HD2      LYS 110   3.277  15.200  -5.468
  846   2HD   LYS  63           HD1      LYS 110   4.557  16.380  -5.178
  847   1HE   LYS  63           HE2      LYS 110   3.400  18.000  -6.645
  848   2HE   LYS  63           HE1      LYS 110   2.113  16.828  -6.921
  849   1HZ   LYS  63           HZ2      LYS 110   2.835  17.564  -4.169
  850   2HZ   LYS  63           HZ1      LYS 110   1.862  18.614  -5.084
  851   3HZ   LYS  63           HZ3      LYS 110   1.347  17.028  -4.784
  852    H    ILE  64           HN       ILE 111   8.193  13.033  -6.466
  853    HA   ILE  64           HA       ILE 111   7.547  10.221  -5.609
  854    HB   ILE  64           HB       ILE 111   9.126  11.127  -8.051
  855   1HG1  ILE  64          HG12      ILE 111   6.715  11.226  -8.431
  856   2HG1  ILE  64          HG11      ILE 111   7.396   9.862  -9.308
  857   1HG2  ILE  64          HG22      ILE 111   8.694   8.399  -6.824
  858   2HG2  ILE  64          HG21      ILE 111   9.212   8.621  -8.493
  859   3HG2  ILE  64          HG23      ILE 111  10.227   9.193  -7.169
  860   1HD1  ILE  64          HD13      ILE 111   6.767   8.559  -7.053
  861   2HD1  ILE  64          HD12      ILE 111   5.606   9.873  -6.912
  862   3HD1  ILE  64          HD11      ILE 111   5.582   8.822  -8.328
  863    H    CYS  65           HN       CYS 112   9.234   9.198  -4.457
  864    HA   CYS  65           HA       CYS 112  11.611  10.884  -3.830
  865   1HB   CYS  65           HB2      CYS 112  10.979   8.254  -2.482
  866   2HB   CYS  65           HB1      CYS 112  11.916   9.606  -1.859
  867    H    SER  66           HN       SER 113  13.483  10.405  -4.949
  868    HA   SER  66           HA       SER 113  13.583   8.096  -6.728
  869   1HB   SER  66           HB2      SER 113  15.722  10.128  -6.033
  870   2HB   SER  66           HB1      SER 113  15.821   8.961  -7.344
  871    HG   SER  66           HG       SER 113  13.926   9.931  -8.212
  872    H    TRP  67           HN       TRP 114  14.783   6.220  -6.535
  873    HA   TRP  67           HA       TRP 114  15.641   5.406  -3.875
  874   1HB   TRP  67           HB2      TRP 114  15.824   4.068  -6.589
  875   2HB   TRP  67           HB1      TRP 114  16.379   3.312  -5.097
  876    HD1  TRP  67           HD1      TRP 114  13.187   5.188  -6.193
  877    HE1  TRP  67           HE1      TRP 114  11.143   3.930  -5.263
  878    HE3  TRP  67           HE3      TRP 114  15.502   1.328  -3.784
  879    HZ2  TRP  67           HZ2      TRP 114  10.581   1.631  -3.698
  880    HZ3  TRP  67           HZ3      TRP 114  14.189  -0.383  -2.588
  881    HH2  TRP  67           HH2      TRP 114  11.719  -0.245  -2.558
  882    H    ASN  68           HN       ASN 115  17.135   7.101  -6.422
  883    HA   ASN  68           HA       ASN 115  19.798   6.206  -6.451
  884   1HB   ASN  68           HB2      ASN 115  18.748   9.064  -6.467
  885   2HB   ASN  68           HB1      ASN 115  20.401   8.608  -6.899
  886   1HD2  ASN  68          HD22      ASN 115  18.114   6.553  -9.465
  887   2HD2  ASN  68          HD21      ASN 115  18.351   6.103  -7.847
  888    H    VAL  69           HN       VAL 116  17.979   7.386  -3.821
  889    HA   VAL  69           HA       VAL 116  20.026   8.626  -2.253
  890    HB   VAL  69           HB       VAL 116  18.586   7.916  -0.293
  891   1HG1  VAL  69          HG12      VAL 116  18.251  10.013  -1.723
  892   2HG1  VAL  69          HG11      VAL 116  16.959   9.126  -2.536
  893   3HG1  VAL  69          HG13      VAL 116  16.851   9.462  -0.810
  894   1HG2  VAL  69          HG21      VAL 116  17.787   5.806  -1.536
  895   2HG2  VAL  69          HG23      VAL 116  16.552   6.717  -0.669
  896   3HG2  VAL  69          HG22      VAL 116  16.698   6.875  -2.414
  897    H    ASP  70           HN       ASP 117  21.522   7.721  -0.785
  898    HA   ASP  70           HA       ASP 117  22.597   5.170  -1.436
  899   1HB   ASP  70           HB2      ASP 117  22.907   6.898   1.036
  900   2HB   ASP  70           HB1      ASP 117  23.833   5.419   0.772
  901    H    GLY  71           HN       GLY 118  20.374   6.133   1.182
  902   1HA   GLY  71           HA2      GLY 118  18.745   4.748   2.222
  903   2HA   GLY  71           HA1      GLY 118  19.375   3.372   1.313
   
  No H/Q in entry =         903
  Start of MODEL   34
    1   1H    MET   1           HT1      MET   1  -8.810  -1.176   8.991
    2   2H    MET   1           HT3      MET   1  -9.780  -1.639  10.302
    3   3H    MET   1           HT2      MET   1  -9.190  -0.050  10.204
    4    HA   MET   1           HA       MET   1  -7.558  -0.727  11.540
    5   1HB   MET   1           HB2      MET   1  -8.914  -2.820  11.951
    6   2HB   MET   1           HB1      MET   1  -8.028  -3.579  10.628
    7   1HG   MET   1           HG2      MET   1  -5.891  -3.009  11.843
    8   2HG   MET   1           HG1      MET   1  -6.876  -2.488  13.209
    9   1HE   MET   1           HE3      MET   1  -8.671  -3.681  14.122
   10   2HE   MET   1           HE2      MET   1  -9.355  -4.971  13.137
   11   3HE   MET   1           HE1      MET   1  -8.545  -5.364  14.651
   12    H    VAL   2           HN       VAL   2  -5.450  -0.404  11.012
   13    HA   VAL   2           HA       VAL   2  -4.561  -1.123   8.255
   14    HB   VAL   2           HB       VAL   2  -3.409   0.738  10.358
   15   1HG1  VAL   2          HG13      VAL   2  -2.420  -0.033   7.600
   16   2HG1  VAL   2          HG12      VAL   2  -1.894   1.428   8.436
   17   3HG1  VAL   2          HG11      VAL   2  -1.545  -0.157   9.125
   18   1HG2  VAL   2          HG23      VAL   2  -4.775   1.169   7.684
   19   2HG2  VAL   2          HG22      VAL   2  -5.412   1.600   9.271
   20   3HG2  VAL   2          HG21      VAL   2  -4.005   2.448   8.627
   21    H    LYS   3           HN       LYS   3  -2.513  -2.208   7.956
   22    HA   LYS   3           HA       LYS   3  -1.458  -3.646  10.366
   23   1HB   LYS   3           HB2      LYS   3  -2.945  -5.105   8.951
   24   2HB   LYS   3           HB1      LYS   3  -1.872  -4.812   7.589
   25   1HG   LYS   3           HG2      LYS   3  -1.139  -6.886   8.469
   26   2HG   LYS   3           HG1      LYS   3   0.017  -5.718   9.103
   27   1HD   LYS   3           HD2      LYS   3  -1.046  -5.703  11.255
   28   2HD   LYS   3           HD1      LYS   3  -2.439  -6.593  10.642
   29   1HE   LYS   3           HE2      LYS   3  -0.972  -8.538  10.187
   30   2HE   LYS   3           HE1      LYS   3   0.395  -7.646  10.857
   31   1HZ   LYS   3           HZ3      LYS   3  -2.107  -8.250  12.335
   32   2HZ   LYS   3           HZ2      LYS   3  -0.669  -9.143  12.475
   33   3HZ   LYS   3           HZ1      LYS   3  -0.714  -7.516  12.964
   34    H    GLN   4           HN       GLN   4   0.734  -3.432  10.536
   35    HA   GLN   4           HA       GLN   4   2.195  -2.147   8.279
   36   1HB   GLN   4           HB2      GLN   4   2.377  -1.190  10.594
   37   2HB   GLN   4           HB1      GLN   4   3.121  -2.700  11.120
   38   1HG   GLN   4           HG2      GLN   4   4.948  -2.387   9.500
   39   2HG   GLN   4           HG1      GLN   4   4.202  -0.890   8.938
   40   1HE2  GLN   4          HE22      GLN   4   6.263   0.749  11.316
   41   2HE2  GLN   4          HE21      GLN   4   5.925   0.512   9.668
   42    H    ILE   5           HN       ILE   5   3.389  -3.432   6.960
   43    HA   ILE   5           HA       ILE   5   4.094  -6.191   7.868
   44    HB   ILE   5           HB       ILE   5   4.331  -4.991   5.106
   45   1HG1  ILE   5          HG12      ILE   5   1.997  -4.813   5.755
   46   2HG1  ILE   5          HG11      ILE   5   2.164  -6.178   4.654
   47   1HG2  ILE   5          HG21      ILE   5   4.268  -7.814   6.187
   48   2HG2  ILE   5          HG23      ILE   5   4.186  -7.403   4.479
   49   3HG2  ILE   5          HG22      ILE   5   5.627  -7.002   5.405
   50   1HD1  ILE   5          HD13      ILE   5   2.432  -7.618   6.796
   51   2HD1  ILE   5          HD12      ILE   5   1.775  -6.221   7.644
   52   3HD1  ILE   5          HD11      ILE   5   0.820  -7.025   6.401
   53    H    GLU   6           HN       GLU   6   6.097  -6.217   8.819
   54    HA   GLU   6           HA       GLU   6   8.176  -4.328   7.872
   55   1HB   GLU   6           HB2      GLU   6   8.145  -6.243  10.224
   56   2HB   GLU   6           HB1      GLU   6   9.394  -5.043   9.882
   57   1HG   GLU   6           HG2      GLU   6   8.046  -3.882  11.404
   58   2HG   GLU   6           HG1      GLU   6   7.390  -3.342   9.861
   59    H    SER   7           HN       SER   7   7.148  -7.363   7.000
   60    HA   SER   7           HA       SER   7   9.783  -7.985   5.813
   61   1HB   SER   7           HB2      SER   7   9.806 -10.293   6.695
   62   2HB   SER   7           HB1      SER   7   9.915  -9.109   8.000
   63    HG   SER   7           HG       SER   7   7.898  -9.580   8.596
   64    H    LYS   8           HN       LYS   8   9.654  -9.606   4.143
   65    HA   LYS   8           HA       LYS   8   7.218  -9.571   2.611
   66   1HB   LYS   8           HB2      LYS   8   9.572  -9.970   1.704
   67   2HB   LYS   8           HB1      LYS   8   9.442 -11.599   2.372
   68   1HG   LYS   8           HG2      LYS   8   7.435 -12.023   1.042
   69   2HG   LYS   8           HG1      LYS   8   7.494 -10.379   0.407
   70   1HD   LYS   8           HD2      LYS   8   8.440 -12.045  -1.185
   71   2HD   LYS   8           HD1      LYS   8   9.621 -10.834  -0.693
   72   1HE   LYS   8           HE2      LYS   8  10.804 -12.342   0.650
   73   2HE   LYS   8           HE1      LYS   8   9.425 -13.428   0.825
   74   1HZ   LYS   8           HZ2      LYS   8   9.825 -13.413  -1.834
   75   2HZ   LYS   8           HZ1      LYS   8  11.417 -13.291  -1.250
   76   3HZ   LYS   8           HZ3      LYS   8  10.435 -14.588  -0.770
   77    H    THR   9           HN       THR   9   8.633 -11.777   4.947
   78    HA   THR   9           HA       THR   9   7.011 -14.047   4.487
   79    HB   THR   9           HB       THR   9   7.950 -13.016   7.178
   80    HG1  THR   9           HG1      THR   9   9.862 -13.527   6.533
   81   1HG2  THR   9          HG23      THR   9   7.190 -15.760   6.152
   82   2HG2  THR   9          HG22      THR   9   7.998 -15.478   7.693
   83   3HG2  THR   9          HG21      THR   9   6.379 -14.836   7.416
   84    H    ALA  10           HN       ALA  10   6.464 -11.228   6.566
   85    HA   ALA  10           HA       ALA  10   3.833 -12.074   7.395
   86   1HB   ALA  10           HB1      ALA  10   5.334  -9.455   7.477
   87   2HB   ALA  10           HB3      ALA  10   3.637  -9.537   7.954
   88   3HB   ALA  10           HB2      ALA  10   4.845 -10.483   8.824
   89    H    PHE  11           HN       PHE  11   5.117 -10.231   4.689
   90    HA   PHE  11           HA       PHE  11   2.718  -9.021   3.763
   91   1HB   PHE  11           HB2      PHE  11   5.069  -8.678   2.833
   92   2HB   PHE  11           HB1      PHE  11   4.894 -10.221   2.019
   93    HD1  PHE  11           HD1      PHE  11   2.943  -7.046   2.493
   94    HD2  PHE  11           HD2      PHE  11   4.122 -10.197  -0.180
   95    HE1  PHE  11           HE1      PHE  11   1.721  -5.942   0.643
   96    HE2  PHE  11           HE2      PHE  11   2.896  -9.094  -2.024
   97    HZ   PHE  11           HZ       PHE  11   1.691  -6.969  -1.615
   98    H    GLN  12           HN       GLN  12   4.098 -12.220   3.123
   99    HA   GLN  12           HA       GLN  12   2.011 -13.066   1.334
  100   1HB   GLN  12           HB2      GLN  12   3.827 -14.681   3.166
  101   2HB   GLN  12           HB1      GLN  12   2.872 -15.351   1.844
  102   1HG   GLN  12           HG2      GLN  12   5.046 -13.251   1.559
  103   2HG   GLN  12           HG1      GLN  12   5.212 -14.958   1.149
  104   1HE2  GLN  12          HE22      GLN  12   2.713 -14.555  -1.589
  105   2HE2  GLN  12          HE21      GLN  12   2.855 -15.532  -0.209
  106    H    GLU  13           HN       GLU  13   2.504 -13.407   4.831
  107    HA   GLU  13           HA       GLU  13   0.168 -14.965   5.382
  108   1HB   GLU  13           HB2      GLU  13   1.760 -13.038   7.091
  109   2HB   GLU  13           HB1      GLU  13   0.512 -14.097   7.727
  110   1HG   GLU  13           HG2      GLU  13   2.895 -15.097   6.153
  111   2HG   GLU  13           HG1      GLU  13   2.863 -15.018   7.915
  112    H    ALA  14           HN       ALA  14   0.672 -11.454   5.262
  113    HA   ALA  14           HA       ALA  14  -1.950 -10.792   6.238
  114   1HB   ALA  14           HB1      ALA  14  -0.012  -9.204   6.175
  115   2HB   ALA  14           HB3      ALA  14  -0.176  -9.138   4.421
  116   3HB   ALA  14           HB2      ALA  14  -1.478  -8.547   5.452
  117    H    LEU  15           HN       LEU  15  -0.617 -11.326   2.983
  118    HA   LEU  15           HA       LEU  15  -2.941 -10.519   1.536
  119   1HB   LEU  15           HB2      LEU  15  -0.794 -12.569   0.936
  120   2HB   LEU  15           HB1      LEU  15  -2.056 -12.145  -0.214
  121    HG   LEU  15           HG       LEU  15  -0.181 -10.127   1.042
  122   1HD1  LEU  15          HD13      LEU  15   0.017 -11.703  -1.524
  123   2HD1  LEU  15          HD12      LEU  15   0.826 -10.151  -1.331
  124   3HD1  LEU  15          HD11      LEU  15   1.237 -11.495  -0.267
  125   1HD2  LEU  15          HD23      LEU  15  -2.370 -10.005  -1.014
  126   2HD2  LEU  15          HD22      LEU  15  -1.956  -8.852   0.251
  127   3HD2  LEU  15          HD21      LEU  15  -0.981  -8.935  -1.211
  128    H    ASP  16           HN       ASP  16  -1.962 -13.569   3.017
  129    HA   ASP  16           HA       ASP  16  -4.228 -15.090   2.115
  130   1HB   ASP  16           HB2      ASP  16  -2.041 -16.036   2.950
  131   2HB   ASP  16           HB1      ASP  16  -2.539 -15.595   4.585
  132    H    ALA  17           HN       ALA  17  -3.607 -13.160   5.033
  133    HA   ALA  17           HA       ALA  17  -5.962 -14.000   6.456
  134   1HB   ALA  17           HB2      ALA  17  -4.059 -12.893   7.572
  135   2HB   ALA  17           HB1      ALA  17  -4.405 -11.409   6.685
  136   3HB   ALA  17           HB3      ALA  17  -5.562 -12.021   7.867
  137    H    ALA  18           HN       ALA  18  -5.364 -11.387   4.141
  138    HA   ALA  18           HA       ALA  18  -7.830  -9.995   4.517
  139   1HB   ALA  18           HB3      ALA  18  -6.050 -10.318   2.090
  140   2HB   ALA  18           HB2      ALA  18  -7.478  -9.284   2.099
  141   3HB   ALA  18           HB1      ALA  18  -6.134  -8.939   3.188
  142    H    GLY  19           HN       GLY  19  -6.998 -12.895   2.700
  143   1HA   GLY  19           HA2      GLY  19  -8.398 -14.514   1.742
  144   2HA   GLY  19           HA1      GLY  19  -9.731 -13.775   2.632
  145    H    ASP  20           HN       ASP  20 -11.303 -13.129   1.259
  146    HA   ASP  20           HA       ASP  20 -10.626 -12.409  -1.528
  147   1HB   ASP  20           HB2      ASP  20 -13.295 -12.727  -0.133
  148   2HB   ASP  20           HB1      ASP  20 -13.071 -12.451  -1.862
  149    H    LYS  21           HN       LYS  21 -10.652 -10.674   1.270
  150    HA   LYS  21           HA       LYS  21 -12.251  -8.383   0.429
  151   1HB   LYS  21           HB2      LYS  21 -10.113  -8.708   2.560
  152   2HB   LYS  21           HB1      LYS  21 -11.022  -7.219   2.308
  153   1HG   LYS  21           HG2      LYS  21 -13.132  -8.750   2.544
  154   2HG   LYS  21           HG1      LYS  21 -12.012  -9.895   3.283
  155   1HD   LYS  21           HD2      LYS  21 -11.286  -8.019   4.833
  156   2HD   LYS  21           HD1      LYS  21 -12.641  -7.081   4.203
  157   1HE   LYS  21           HE2      LYS  21 -14.166  -8.966   4.863
  158   2HE   LYS  21           HE1      LYS  21 -12.786  -9.744   5.639
  159   1HZ   LYS  21           HZ1      LYS  21 -12.615  -7.327   6.696
  160   2HZ   LYS  21           HZ3      LYS  21 -14.291  -7.391   6.448
  161   3HZ   LYS  21           HZ2      LYS  21 -13.530  -8.575   7.398
  162    H    LEU  22           HN       LEU  22 -11.426  -6.377  -0.422
  163    HA   LEU  22           HA       LEU  22  -9.274  -6.608  -2.261
  164   1HB   LEU  22           HB2      LEU  22 -11.268  -4.755  -1.781
  165   2HB   LEU  22           HB1      LEU  22  -9.854  -3.880  -1.221
  166    HG   LEU  22           HG       LEU  22 -10.304  -5.041  -3.974
  167   1HD1  LEU  22          HD13      LEU  22 -10.683  -2.384  -2.761
  168   2HD1  LEU  22          HD12      LEU  22  -9.608  -2.315  -4.152
  169   3HD1  LEU  22          HD11      LEU  22 -11.223  -2.995  -4.321
  170   1HD2  LEU  22          HD22      LEU  22  -7.821  -3.883  -2.692
  171   2HD2  LEU  22          HD21      LEU  22  -7.973  -5.372  -3.628
  172   3HD2  LEU  22          HD23      LEU  22  -8.064  -3.809  -4.432
  173    H    VAL  23           HN       VAL  23  -7.107  -5.468  -2.058
  174    HA   VAL  23           HA       VAL  23  -6.275  -4.837   0.713
  175    HB   VAL  23           HB       VAL  23  -4.790  -6.853  -1.004
  176   1HG1  VAL  23          HG12      VAL  23  -4.339  -5.657   1.734
  177   2HG1  VAL  23          HG11      VAL  23  -3.599  -7.184   1.256
  178   3HG1  VAL  23          HG13      VAL  23  -3.227  -5.707   0.366
  179   1HG2  VAL  23          HG21      VAL  23  -6.508  -7.254   1.464
  180   2HG2  VAL  23          HG23      VAL  23  -6.849  -7.861  -0.156
  181   3HG2  VAL  23          HG22      VAL  23  -5.474  -8.490   0.747
  182    H    VAL  24           HN       VAL  24  -5.258  -2.911   0.529
  183    HA   VAL  24           HA       VAL  24  -3.822  -2.305  -2.028
  184    HB   VAL  24           HB       VAL  24  -4.657  -0.339   0.130
  185   1HG1  VAL  24          HG13      VAL  24  -2.778   0.237  -1.487
  186   2HG1  VAL  24          HG12      VAL  24  -3.966   0.115  -2.784
  187   3HG1  VAL  24          HG11      VAL  24  -4.158   1.334  -1.527
  188   1HG2  VAL  24          HG23      VAL  24  -6.074  -1.244  -2.386
  189   2HG2  VAL  24          HG22      VAL  24  -6.694  -1.256  -0.736
  190   3HG2  VAL  24          HG21      VAL  24  -6.447   0.276  -1.573
  191    H    VAL  25           HN       VAL  25  -1.620  -1.796  -1.911
  192    HA   VAL  25           HA       VAL  25  -0.354  -1.977   0.814
  193    HB   VAL  25           HB       VAL  25   0.792  -2.964  -1.815
  194   1HG1  VAL  25          HG12      VAL  25   2.424  -2.266  -0.045
  195   2HG1  VAL  25          HG11      VAL  25   1.679  -3.437   1.043
  196   3HG1  VAL  25          HG13      VAL  25   2.497  -3.987  -0.417
  197   1HG2  VAL  25          HG22      VAL  25  -1.212  -4.263  -1.025
  198   2HG2  VAL  25          HG21      VAL  25   0.274  -5.206  -1.033
  199   3HG2  VAL  25          HG23      VAL  25  -0.358  -4.574   0.486
  200    H    ASP  26           HN       ASP  26   0.671  -0.128   1.338
  201    HA   ASP  26           HA       ASP  26   1.453   1.766  -0.845
  202   1HB   ASP  26           HB2      ASP  26   0.006   2.584   1.031
  203   2HB   ASP  26           HB1      ASP  26   1.320   2.238   2.155
  204    H    PHE  27           HN       PHE  27   3.561   1.758  -1.440
  205    HA   PHE  27           HA       PHE  27   5.627   0.622   0.381
  206   1HB   PHE  27           HB2      PHE  27   5.601   1.271  -2.575
  207   2HB   PHE  27           HB1      PHE  27   7.077   0.829  -1.710
  208    HD1  PHE  27           HD1      PHE  27   7.147  -1.381  -0.454
  209    HD2  PHE  27           HD2      PHE  27   4.066  -0.400  -3.282
  210    HE1  PHE  27           HE1      PHE  27   6.597  -3.787  -0.688
  211    HE2  PHE  27           HE2      PHE  27   3.520  -2.805  -3.506
  212    HZ   PHE  27           HZ       PHE  27   4.780  -4.499  -2.215
  213    H    SER  28           HN       SER  28   4.380   3.397   0.587
  214    HA   SER  28           HA       SER  28   6.223   5.361  -0.257
  215   1HB   SER  28           HB2      SER  28   4.563   5.336   2.276
  216   2HB   SER  28           HB1      SER  28   5.307   6.757   1.554
  217    HG   SER  28           HG       SER  28   3.010   6.254   1.018
  218    H    ALA  29           HN       ALA  29   8.019   6.307   0.690
  219    HA   ALA  29           HA       ALA  29   9.539   4.584   2.530
  220   1HB   ALA  29           HB2      ALA  29  10.113   7.023   0.863
  221   2HB   ALA  29           HB1      ALA  29  11.185   6.664   2.215
  222   3HB   ALA  29           HB3      ALA  29  10.977   5.489   0.913
  223    H    THR  30           HN       THR  30   9.454   4.904   4.736
  224    HA   THR  30           HA       THR  30   7.854   7.044   5.811
  225    HB   THR  30           HB       THR  30   8.159   4.907   7.024
  226    HG1  THR  30           HG1      THR  30   9.398   6.589   8.786
  227   1HG2  THR  30          HG23      THR  30  10.554   4.584   6.366
  228   2HG2  THR  30          HG22      THR  30  10.995   5.862   7.500
  229   3HG2  THR  30          HG21      THR  30  10.270   4.368   8.093
  230    H    TRP  31           HN       TRP  31  11.303   6.587   5.238
  231    HA   TRP  31           HA       TRP  31  12.168   8.914   6.727
  232   1HB   TRP  31           HB2      TRP  31  14.280   8.648   5.543
  233   2HB   TRP  31           HB1      TRP  31  13.691   7.072   6.071
  234    HD1  TRP  31           HD1      TRP  31  13.183   5.320   4.291
  235    HE1  TRP  31           HE1      TRP  31  13.404   5.215   1.724
  236    HE3  TRP  31           HE3      TRP  31  13.952  10.257   3.279
  237    HZ2  TRP  31           HZ2      TRP  31  13.817   7.000  -0.468
  238    HZ3  TRP  31           HZ3      TRP  31  14.228  11.031   0.945
  239    HH2  TRP  31           HH2      TRP  31  14.163   9.411  -0.929
  240    H    CYS  32           HN       CYS  32  10.811   8.497   3.523
  241    HA   CYS  32           HA       CYS  32  11.771  11.126   2.614
  242   1HB   CYS  32           HB2      CYS  32  11.291   9.030   1.142
  243   2HB   CYS  32           HB1      CYS  32   9.598   9.482   1.292
  244    H    GLY  33           HN       GLY  33  10.818  12.949   3.266
  245   1HA   GLY  33           HA2      GLY  33   8.489  13.034   4.886
  246   2HA   GLY  33           HA1      GLY  33   9.213  14.430   4.094
  247    HA   PRO  34           HA       PRO  34   6.178  14.718   0.891
  248   1HB   PRO  34           HB2      PRO  34   7.668  13.084  -1.111
  249   2HB   PRO  34           HB1      PRO  34   7.068  14.746  -1.239
  250   1HG   PRO  34           HG2      PRO  34   9.711  14.159  -0.915
  251   2HG   PRO  34           HG1      PRO  34   8.980  15.651  -0.304
  252   1HD   PRO  34           HD2      PRO  34   9.916  13.277   1.210
  253   2HD   PRO  34           HD1      PRO  34   9.691  14.949   1.777
  254    H    ALA  35           HN       ALA  35   7.541  11.422   0.997
  255    HA   ALA  35           HA       ALA  35   5.069  10.196   0.063
  256   1HB   ALA  35           HB1      ALA  35   7.616   9.354   0.036
  257   2HB   ALA  35           HB3      ALA  35   7.116   8.589   1.542
  258   3HB   ALA  35           HB2      ALA  35   6.268   8.220   0.039
  259    H    LYS  36           HN       LYS  36   6.738  10.294   3.238
  260    HA   LYS  36           HA       LYS  36   4.694   8.950   4.700
  261   1HB   LYS  36           HB2      LYS  36   7.025   9.486   5.520
  262   2HB   LYS  36           HB1      LYS  36   6.480  11.145   5.776
  263   1HG   LYS  36           HG2      LYS  36   4.631  10.246   7.221
  264   2HG   LYS  36           HG1      LYS  36   5.359   8.647   7.069
  265   1HD   LYS  36           HD2      LYS  36   7.470   9.529   8.030
  266   2HD   LYS  36           HD1      LYS  36   6.704  11.106   8.229
  267   1HE   LYS  36           HE2      LYS  36   6.528   9.990  10.346
  268   2HE   LYS  36           HE1      LYS  36   4.923   9.940   9.616
  269   1HZ   LYS  36           HZ2      LYS  36   6.278   7.714   8.689
  270   2HZ   LYS  36           HZ1      LYS  36   6.604   7.792  10.355
  271   3HZ   LYS  36           HZ3      LYS  36   4.999   7.750   9.806
  272    H    MET  37           HN       MET  37   5.078  12.322   3.789
  273    HA   MET  37           HA       MET  37   3.066  13.486   5.417
  274   1HB   MET  37           HB2      MET  37   4.736  14.743   4.040
  275   2HB   MET  37           HB1      MET  37   3.846  14.279   2.594
  276   1HG   MET  37           HG2      MET  37   2.454  15.687   4.869
  277   2HG   MET  37           HG1      MET  37   3.342  16.599   3.649
  278   1HE   MET  37           HE1      MET  37   0.621  17.420   3.969
  279   2HE   MET  37           HE3      MET  37   1.484  17.919   2.507
  280   3HE   MET  37           HE2      MET  37  -0.165  17.311   2.396
  281    H    ILE  38           HN       ILE  38   2.856  11.578   2.504
  282    HA   ILE  38           HA       ILE  38   0.030  12.255   2.047
  283    HB   ILE  38           HB       ILE  38   1.841  10.240   0.682
  284   1HG1  ILE  38          HG12      ILE  38   0.925  12.925  -0.368
  285   2HG1  ILE  38          HG11      ILE  38   2.398  12.770   0.587
  286   1HG2  ILE  38          HG22      ILE  38  -0.989  11.163   0.188
  287   2HG2  ILE  38          HG21      ILE  38   0.020  10.647  -1.164
  288   3HG2  ILE  38          HG23      ILE  38  -0.331   9.526   0.150
  289   1HD1  ILE  38          HD12      ILE  38   3.196  11.039  -1.027
  290   2HD1  ILE  38          HD11      ILE  38   1.789  11.387  -2.030
  291   3HD1  ILE  38          HD13      ILE  38   2.999  12.637  -1.735
  292    H    LYS  39           HN       LYS  39   1.529  10.202   4.233
  293    HA   LYS  39           HA       LYS  39  -0.017   7.839   3.832
  294   1HB   LYS  39           HB2      LYS  39   0.764   7.008   5.870
  295   2HB   LYS  39           HB1      LYS  39   2.057   8.046   5.311
  296   1HG   LYS  39           HG2      LYS  39   1.630   9.686   6.942
  297   2HG   LYS  39           HG1      LYS  39  -0.016   9.140   7.238
  298   1HD   LYS  39           HD2      LYS  39   2.336   7.352   7.826
  299   2HD   LYS  39           HD1      LYS  39   1.817   8.570   8.985
  300   1HE   LYS  39           HE2      LYS  39  -0.140   7.457   9.487
  301   2HE   LYS  39           HE1      LYS  39  -0.311   6.788   7.868
  302   1HZ   LYS  39           HZ1      LYS  39   2.002   5.698   8.861
  303   2HZ   LYS  39           HZ3      LYS  39   0.918   5.652  10.163
  304   3HZ   LYS  39           HZ2      LYS  39   0.500   4.916   8.691
  305    HA   PRO  40           HA       PRO  40  -3.044   9.832   7.157
  306   1HB   PRO  40           HB2      PRO  40  -3.436  12.399   5.694
  307   2HB   PRO  40           HB1      PRO  40  -3.361  12.098   7.441
  308   1HG   PRO  40           HG2      PRO  40  -1.335  13.295   6.147
  309   2HG   PRO  40           HG1      PRO  40  -1.037  12.173   7.484
  310   1HD   PRO  40           HD2      PRO  40  -0.724  11.727   4.552
  311   2HD   PRO  40           HD1      PRO  40   0.260  11.082   5.878
  312    H    PHE  41           HN       PHE  41  -3.212  10.683   3.666
  313    HA   PHE  41           HA       PHE  41  -6.072  10.287   3.530
  314   1HB   PHE  41           HB2      PHE  41  -3.896  10.140   1.418
  315   2HB   PHE  41           HB1      PHE  41  -5.611   9.987   1.067
  316    HD1  PHE  41           HD2      PHE  41  -3.115  12.263   2.649
  317    HD2  PHE  41           HD1      PHE  41  -6.960  11.882   0.769
  318    HE1  PHE  41           HE2      PHE  41  -3.340  14.736   2.610
  319    HE2  PHE  41           HE1      PHE  41  -7.188  14.353   0.740
  320    HZ   PHE  41           HZ       PHE  41  -5.378  15.779   1.654
  321    H    PHE  42           HN       PHE  42  -3.277   8.244   2.758
  322    HA   PHE  42           HA       PHE  42  -4.702   5.898   2.001
  323   1HB   PHE  42           HB2      PHE  42  -2.319   6.233   1.560
  324   2HB   PHE  42           HB1      PHE  42  -1.972   6.245   3.293
  325    HD1  PHE  42           HD1      PHE  42  -3.190   4.140   0.480
  326    HD2  PHE  42           HD2      PHE  42  -1.783   4.225   4.538
  327    HE1  PHE  42           HE1      PHE  42  -3.023   1.665   0.477
  328    HE2  PHE  42           HE2      PHE  42  -1.617   1.752   4.534
  329    HZ   PHE  42           HZ       PHE  42  -2.239   0.470   2.502
  330    H    HIS  43           HN       HIS  43  -3.253   6.755   5.131
  331    HA   HIS  43           HA       HIS  43  -4.295   4.493   6.557
  332   1HB   HIS  43           HB2      HIS  43  -2.314   5.751   7.276
  333   2HB   HIS  43           HB1      HIS  43  -3.300   7.185   7.545
  334    HD1  HIS  43           HD1      HIS  43  -2.319   3.951   9.076
  335    HD2  HIS  43           HD2      HIS  43  -5.075   6.983   9.790
  336    HE1  HIS  43           HE1      HIS  43  -3.262   3.525  11.390
  337    H    SER  44           HN       SER  44  -5.466   7.847   6.207
  338    HA   SER  44           HA       SER  44  -7.577   7.657   8.112
  339   1HB   SER  44           HB2      SER  44  -7.406   9.362   5.614
  340   2HB   SER  44           HB1      SER  44  -8.601   9.563   6.889
  341    HG   SER  44           HG       SER  44  -6.794  10.925   7.207
  342    H    LEU  45           HN       LEU  45  -7.497   6.898   4.649
  343    HA   LEU  45           HA       LEU  45 -10.287   6.425   4.310
  344   1HB   LEU  45           HB2      LEU  45  -7.883   5.282   2.893
  345   2HB   LEU  45           HB1      LEU  45  -9.530   4.988   2.366
  346    HG   LEU  45           HG       LEU  45  -8.553   7.821   2.787
  347   1HD1  LEU  45          HD13      LEU  45  -6.965   6.628   1.243
  348   2HD1  LEU  45          HD12      LEU  45  -8.337   6.240   0.205
  349   3HD1  LEU  45          HD11      LEU  45  -7.868   7.921   0.452
  350   1HD2  LEU  45          HD22      LEU  45 -10.700   6.516   1.088
  351   2HD2  LEU  45          HD21      LEU  45 -10.939   7.602   2.453
  352   3HD2  LEU  45          HD23      LEU  45 -10.249   8.210   0.952
  353    H    SER  46           HN       SER  46  -7.841   4.504   5.871
  354    HA   SER  46           HA       SER  46  -8.853   1.915   5.511
  355   1HB   SER  46           HB2      SER  46  -7.782   3.093   8.095
  356   2HB   SER  46           HB1      SER  46  -7.926   1.377   7.736
  357    HG   SER  46           HG       SER  46  -6.631   2.096   5.750
  358    H    GLU  47           HN       GLU  47  -9.984   4.461   7.697
  359    HA   GLU  47           HA       GLU  47 -12.120   2.741   8.752
  360   1HB   GLU  47           HB2      GLU  47 -11.515   5.700   9.078
  361   2HB   GLU  47           HB1      GLU  47 -12.856   4.878   9.871
  362   1HG   GLU  47           HG2      GLU  47  -9.954   4.049  10.163
  363   2HG   GLU  47           HG1      GLU  47 -10.812   5.072  11.315
  364    H    LYS  48           HN       LYS  48 -11.699   4.844   5.999
  365    HA   LYS  48           HA       LYS  48 -14.543   5.480   5.742
  366   1HB   LYS  48           HB2      LYS  48 -12.759   6.921   4.721
  367   2HB   LYS  48           HB1      LYS  48 -12.399   5.609   3.596
  368   1HG   LYS  48           HG2      LYS  48 -14.775   5.672   2.817
  369   2HG   LYS  48           HG1      LYS  48 -15.056   7.055   3.875
  370   1HD   LYS  48           HD2      LYS  48 -13.257   8.294   2.683
  371   2HD   LYS  48           HD1      LYS  48 -13.078   6.930   1.582
  372   1HE   LYS  48           HE2      LYS  48 -15.392   7.192   0.828
  373   2HE   LYS  48           HE1      LYS  48 -15.645   8.496   1.990
  374   1HZ   LYS  48           HZ2      LYS  48 -13.592   9.514   0.802
  375   2HZ   LYS  48           HZ1      LYS  48 -14.045   8.488  -0.474
  376   3HZ   LYS  48           HZ3      LYS  48 -15.130   9.658   0.099
  377    H    TYR  49           HN       TYR  49 -12.300   3.063   4.536
  378    HA   TYR  49           HA       TYR  49 -14.646   1.491   3.488
  379   1HB   TYR  49           HB2      TYR  49 -11.797   1.535   2.412
  380   2HB   TYR  49           HB1      TYR  49 -13.076   0.456   1.859
  381    HD1  TYR  49           HD2      TYR  49 -15.232   1.518   0.945
  382    HD2  TYR  49           HD1      TYR  49 -11.570   3.697   1.473
  383    HE1  TYR  49           HE2      TYR  49 -16.039   3.254  -0.632
  384    HE2  TYR  49           HE1      TYR  49 -12.377   5.430  -0.108
  385    HH   TYR  49           HH       TYR  49 -15.401   5.923  -0.908
  386    H    SER  50           HN       SER  50 -14.466   1.010   5.902
  387    HA   SER  50           HA       SER  50 -12.295  -0.489   6.977
  388   1HB   SER  50           HB2      SER  50 -13.810  -1.019   8.768
  389   2HB   SER  50           HB1      SER  50 -14.182   0.615   8.250
  390    HG   SER  50           HG       SER  50 -16.126  -0.165   8.030
  391    H    ASN  51           HN       ASN  51 -14.532  -1.260   4.587
  392    HA   ASN  51           HA       ASN  51 -14.523  -4.168   5.108
  393   1HB   ASN  51           HB2      ASN  51 -16.547  -2.940   4.214
  394   2HB   ASN  51           HB1      ASN  51 -15.648  -2.686   2.720
  395   1HD2  ASN  51          HD22      ASN  51 -16.374  -5.901   1.510
  396   2HD2  ASN  51          HD21      ASN  51 -15.846  -4.320   1.186
  397    H    VAL  52           HN       VAL  52 -12.267  -2.156   4.098
  398    HA   VAL  52           HA       VAL  52 -11.132  -4.070   2.106
  399    HB   VAL  52           HB       VAL  52 -11.088  -1.040   2.082
  400   1HG1  VAL  52          HG11      VAL  52  -9.207  -3.029   0.821
  401   2HG1  VAL  52          HG13      VAL  52  -9.544  -1.497   0.013
  402   3HG1  VAL  52          HG12      VAL  52  -8.836  -1.510   1.626
  403   1HG2  VAL  52          HG22      VAL  52 -12.963  -2.193   0.934
  404   2HG2  VAL  52          HG21      VAL  52 -11.909  -1.370  -0.215
  405   3HG2  VAL  52          HG23      VAL  52 -11.799  -3.119  -0.013
  406    H    ILE  53           HN       ILE  53  -8.859  -4.462   2.405
  407    HA   ILE  53           HA       ILE  53  -7.884  -3.655   5.121
  408    HB   ILE  53           HB       ILE  53  -6.681  -5.715   3.249
  409   1HG1  ILE  53          HG12      ILE  53  -8.984  -6.396   3.655
  410   2HG1  ILE  53          HG11      ILE  53  -7.928  -7.388   4.655
  411   1HG2  ILE  53          HG21      ILE  53  -5.393  -4.746   5.240
  412   2HG2  ILE  53          HG23      ILE  53  -6.576  -5.536   6.270
  413   3HG2  ILE  53          HG22      ILE  53  -5.554  -6.497   5.204
  414   1HD1  ILE  53          HD13      ILE  53  -8.369  -5.646   6.519
  415   2HD1  ILE  53          HD12      ILE  53  -9.701  -5.097   5.504
  416   3HD1  ILE  53          HD11      ILE  53  -9.681  -6.752   6.111
  417    H    PHE  54           HN       PHE  54  -6.374  -2.035   5.234
  418    HA   PHE  54           HA       PHE  54  -4.816  -1.336   2.759
  419   1HB   PHE  54           HB2      PHE  54  -5.439   0.256   5.266
  420   2HB   PHE  54           HB1      PHE  54  -4.366   0.814   3.988
  421    HD1  PHE  54           HD1      PHE  54  -7.854  -0.333   4.654
  422    HD2  PHE  54           HD2      PHE  54  -5.240   1.866   2.051
  423    HE1  PHE  54           HE1      PHE  54  -9.818   0.547   3.420
  424    HE2  PHE  54           HE2      PHE  54  -7.206   2.731   0.806
  425    HZ   PHE  54           HZ       PHE  54  -9.493   2.069   1.494
  426    H    LEU  55           HN       LEU  55  -2.670  -1.922   2.765
  427    HA   LEU  55           HA       LEU  55  -1.329  -2.436   5.403
  428   1HB   LEU  55           HB2      LEU  55  -0.813  -3.604   2.661
  429   2HB   LEU  55           HB1      LEU  55   0.386  -3.699   3.951
  430    HG   LEU  55           HG       LEU  55  -1.086  -4.997   5.330
  431   1HD1  LEU  55          HD13      LEU  55  -3.197  -4.202   3.341
  432   2HD1  LEU  55          HD12      LEU  55  -3.391  -5.646   4.336
  433   3HD1  LEU  55          HD11      LEU  55  -3.209  -4.074   5.100
  434   1HD2  LEU  55          HD21      LEU  55  -1.135  -5.900   2.441
  435   2HD2  LEU  55          HD23      LEU  55   0.035  -6.336   3.687
  436   3HD2  LEU  55          HD22      LEU  55  -1.622  -6.928   3.787
  437    H    GLU  56           HN       GLU  56   0.536  -1.404   5.879
  438    HA   GLU  56           HA       GLU  56   1.500   0.664   3.931
  439   1HB   GLU  56           HB2      GLU  56   0.588   1.477   6.156
  440   2HB   GLU  56           HB1      GLU  56   1.904   0.601   6.941
  441   1HG   GLU  56           HG2      GLU  56   3.522   1.900   5.517
  442   2HG   GLU  56           HG1      GLU  56   2.161   2.866   4.944
  443    H    VAL  57           HN       VAL  57   3.573   0.381   3.200
  444    HA   VAL  57           HA       VAL  57   5.292  -1.649   4.602
  445    HB   VAL  57           HB       VAL  57   5.038  -1.219   1.614
  446   1HG1  VAL  57          HG11      VAL  57   6.597  -3.157   3.327
  447   2HG1  VAL  57          HG13      VAL  57   6.345  -3.381   1.599
  448   3HG1  VAL  57          HG12      VAL  57   7.247  -1.983   2.181
  449   1HG2  VAL  57          HG23      VAL  57   4.027  -3.461   3.382
  450   2HG2  VAL  57          HG22      VAL  57   3.022  -2.267   2.566
  451   3HG2  VAL  57          HG21      VAL  57   3.950  -3.432   1.622
  452    H    ASP  58           HN       ASP  58   7.372  -1.029   4.961
  453    HA   ASP  58           HA       ASP  58   8.244   1.671   4.038
  454   1HB   ASP  58           HB2      ASP  58   8.338   0.928   6.487
  455   2HB   ASP  58           HB1      ASP  58   9.610  -0.195   5.982
  456    H    VAL  59           HN       VAL  59   9.531   1.683   2.212
  457    HA   VAL  59           HA       VAL  59  10.632  -0.771   1.134
  458    HB   VAL  59           HB       VAL  59  11.800   0.697  -0.460
  459   1HG1  VAL  59          HG13      VAL  59   8.939   1.376   0.220
  460   2HG1  VAL  59          HG12      VAL  59   9.743   2.037  -1.201
  461   3HG1  VAL  59          HG11      VAL  59   9.533   0.296  -1.040
  462   1HG2  VAL  59          HG23      VAL  59  10.948   2.834   1.500
  463   2HG2  VAL  59          HG22      VAL  59  12.570   2.485   0.902
  464   3HG2  VAL  59          HG21      VAL  59  11.375   3.213  -0.169
  465    H    ASP  60           HN       ASP  60  11.671   1.484   3.532
  466    HA   ASP  60           HA       ASP  60  14.516   0.703   3.252
  467   1HB   ASP  60           HB2      ASP  60  12.995   2.701   4.904
  468   2HB   ASP  60           HB1      ASP  60  14.645   2.280   5.319
  469    H    ASP  61           HN       ASP  61  11.869   0.270   5.645
  470    HA   ASP  61           HA       ASP  61  13.683  -1.505   7.229
  471   1HB   ASP  61           HB2      ASP  61  10.846  -0.582   7.829
  472   2HB   ASP  61           HB1      ASP  61  11.882  -1.512   8.908
  473    H    ALA  62           HN       ALA  62  11.338  -1.583   4.809
  474    HA   ALA  62           HA       ALA  62  10.979  -4.532   5.148
  475   1HB   ALA  62           HB3      ALA  62   8.937  -2.698   5.354
  476   2HB   ALA  62           HB2      ALA  62   8.875  -3.078   3.635
  477   3HB   ALA  62           HB1      ALA  62   8.709  -4.365   4.832
  478    H    GLN  63           HN       GLN  63  13.059  -3.183   3.788
  479    HA   GLN  63           HA       GLN  63  12.606  -2.782   1.021
  480   1HB   GLN  63           HB2      GLN  63  15.017  -3.029   0.760
  481   2HB   GLN  63           HB1      GLN  63  14.711  -2.176   2.274
  482   1HG   GLN  63           HG2      GLN  63  14.819  -4.429   3.433
  483   2HG   GLN  63           HG1      GLN  63  15.432  -5.088   1.916
  484   1HE2  GLN  63          HE22      GLN  63  18.300  -3.923   4.088
  485   2HE2  GLN  63          HE21      GLN  63  16.991  -4.966   4.371
  486    H    ASP  64           HN       ASP  64  12.814  -5.714   2.906
  487    HA   ASP  64           HA       ASP  64  13.438  -7.500   0.746
  488   1HB   ASP  64           HB2      ASP  64  12.448  -9.251   2.239
  489   2HB   ASP  64           HB1      ASP  64  13.648  -8.252   3.046
  490    H    VAL  65           HN       VAL  65  10.440  -6.128   2.009
  491    HA   VAL  65           HA       VAL  65   8.651  -7.705   0.387
  492    HB   VAL  65           HB       VAL  65   8.101  -4.909   1.407
  493   1HG1  VAL  65          HG12      VAL  65   6.392  -6.032   0.004
  494   2HG1  VAL  65          HG11      VAL  65   6.343  -7.362   1.162
  495   3HG1  VAL  65          HG13      VAL  65   5.831  -5.747   1.652
  496   1HG2  VAL  65          HG23      VAL  65   8.172  -7.494   2.973
  497   2HG2  VAL  65          HG22      VAL  65   9.111  -6.035   3.269
  498   3HG2  VAL  65          HG21      VAL  65   7.370  -6.029   3.534
  499    H    ALA  66           HN       ALA  66   9.965  -4.404   0.093
  500    HA   ALA  66           HA       ALA  66   8.686  -3.873  -2.434
  501   1HB   ALA  66           HB1      ALA  66   9.743  -2.275  -0.573
  502   2HB   ALA  66           HB3      ALA  66  11.152  -2.376  -1.628
  503   3HB   ALA  66           HB2      ALA  66   9.619  -1.764  -2.256
  504    H    SER  67           HN       SER  67  11.899  -5.050  -1.521
  505    HA   SER  67           HA       SER  67  13.129  -4.823  -4.075
  506   1HB   SER  67           HB2      SER  67  14.691  -6.543  -3.261
  507   2HB   SER  67           HB1      SER  67  14.359  -5.366  -1.993
  508    HG   SER  67           HG       SER  67  13.133  -7.907  -2.334
  509    H    GLU  68           HN       GLU  68  11.058  -7.331  -2.697
  510    HA   GLU  68           HA       GLU  68  11.352  -9.200  -4.857
  511   1HB   GLU  68           HB2      GLU  68  10.422  -9.764  -2.602
  512   2HB   GLU  68           HB1      GLU  68   8.979  -8.832  -3.000
  513   1HG   GLU  68           HG2      GLU  68   8.457 -11.118  -3.483
  514   2HG   GLU  68           HG1      GLU  68   8.719 -10.339  -5.040
  515    H    ALA  69           HN       ALA  69   9.265  -6.420  -4.307
  516    HA   ALA  69           HA       ALA  69   7.669  -6.962  -6.713
  517   1HB   ALA  69           HB3      ALA  69   7.712  -4.743  -4.672
  518   2HB   ALA  69           HB2      ALA  69   6.713  -4.660  -6.120
  519   3HB   ALA  69           HB1      ALA  69   6.454  -5.947  -4.945
  520    H    GLU  70           HN       GLU  70  10.732  -5.792  -6.285
  521    HA   GLU  70           HA       GLU  70  12.139  -4.442  -7.588
  522   1HB   GLU  70           HB2      GLU  70  10.054  -5.208  -9.644
  523   2HB   GLU  70           HB1      GLU  70  11.525  -4.328 -10.039
  524   1HG   GLU  70           HG2      GLU  70  12.011  -6.614 -10.456
  525   2HG   GLU  70           HG1      GLU  70  12.807  -6.230  -8.933
  526    H    VAL  71           HN       VAL  71  10.550  -2.847  -6.006
  527    HA   VAL  71           HA       VAL  71   8.977  -0.981  -7.535
  528    HB   VAL  71           HB       VAL  71  10.426  -0.429  -4.923
  529   1HG1  VAL  71          HG12      VAL  71   8.046   0.784  -6.359
  530   2HG1  VAL  71          HG11      VAL  71   8.365   1.071  -4.651
  531   3HG1  VAL  71          HG13      VAL  71   9.540   1.581  -5.866
  532   1HG2  VAL  71          HG22      VAL  71   7.821  -1.868  -5.520
  533   2HG2  VAL  71          HG21      VAL  71   9.154  -2.401  -4.497
  534   3HG2  VAL  71          HG23      VAL  71   8.108  -1.087  -3.965
  535    H    LYS  72           HN       LYS  72   9.630   0.791  -8.685
  536    HA   LYS  72           HA       LYS  72  12.557   1.334  -8.813
  537   1HB   LYS  72           HB2      LYS  72  10.348   2.032 -10.760
  538   2HB   LYS  72           HB1      LYS  72  12.061   2.364 -11.002
  539   1HG   LYS  72           HG2      LYS  72  11.085  -0.457 -10.476
  540   2HG   LYS  72           HG1      LYS  72  11.067   0.220 -12.102
  541   1HD   LYS  72           HD2      LYS  72  13.524   0.750 -11.823
  542   2HD   LYS  72           HD1      LYS  72  13.485  -0.156 -10.311
  543   1HE   LYS  72           HE2      LYS  72  12.593  -2.129 -11.605
  544   2HE   LYS  72           HE1      LYS  72  12.880  -1.213 -13.084
  545   1HZ   LYS  72           HZ1      LYS  72  15.227  -0.943 -11.864
  546   2HZ   LYS  72           HZ3      LYS  72  14.778  -2.473 -11.288
  547   3HZ   LYS  72           HZ2      LYS  72  14.881  -2.194 -12.961
  548    H    ALA  73           HN       ALA  73   9.631   2.656  -7.637
  549    HA   ALA  73           HA       ALA  73  11.025   5.068  -6.791
  550   1HB   ALA  73           HB3      ALA  73  10.239   5.396  -9.263
  551   2HB   ALA  73           HB2      ALA  73   8.639   5.594  -8.550
  552   3HB   ALA  73           HB1      ALA  73   9.952   6.680  -8.094
  553    H    THR  74           HN       THR  74   9.690   6.390  -5.334
  554    HA   THR  74           HA       THR  74   7.196   5.048  -4.367
  555    HB   THR  74           HB       THR  74   7.888   5.449  -2.061
  556    HG1  THR  74           HG1      THR  74  10.048   6.329  -1.780
  557   1HG2  THR  74          HG22      THR  74   9.956   4.135  -3.788
  558   2HG2  THR  74          HG21      THR  74  10.115   4.187  -2.038
  559   3HG2  THR  74          HG23      THR  74   8.731   3.382  -2.778
  560    HA   PRO  75           HA       PRO  75   5.789   5.684  -2.511
  561   1HB   PRO  75           HB2      PRO  75   3.208   6.656  -2.613
  562   2HB   PRO  75           HB1      PRO  75   4.409   7.139  -1.406
  563   1HG   PRO  75           HG2      PRO  75   3.423   8.643  -3.776
  564   2HG   PRO  75           HG1      PRO  75   4.047   9.250  -2.237
  565   1HD   PRO  75           HD2      PRO  75   5.474   9.180  -4.672
  566   2HD   PRO  75           HD1      PRO  75   6.196   9.406  -3.054
  567    H    THR  76           HN       THR  76   4.918   3.789  -3.244
  568    HA   THR  76           HA       THR  76   3.519   3.804  -5.897
  569    HB   THR  76           HB       THR  76   5.416   1.676  -4.874
  570    HG1  THR  76           HG1      THR  76   5.881   3.954  -6.094
  571   1HG2  THR  76          HG23      THR  76   3.716   1.955  -7.350
  572   2HG2  THR  76          HG22      THR  76   5.112   0.881  -7.292
  573   3HG2  THR  76          HG21      THR  76   3.751   0.615  -6.203
  574    H    PHE  77           HN       PHE  77   1.587   2.874  -5.817
  575    HA   PHE  77           HA       PHE  77   0.821   1.361  -3.350
  576   1HB   PHE  77           HB2      PHE  77  -0.897   2.823  -5.377
  577   2HB   PHE  77           HB1      PHE  77  -1.484   2.021  -3.917
  578    HD1  PHE  77           HD1      PHE  77  -0.905   2.919  -1.664
  579    HD2  PHE  77           HD2      PHE  77   0.261   4.934  -5.277
  580    HE1  PHE  77           HE1      PHE  77  -0.422   4.978  -0.362
  581    HE2  PHE  77           HE2      PHE  77   0.748   6.989  -3.974
  582    HZ   PHE  77           HZ       PHE  77   0.403   7.013  -1.517
  583    H    GLN  78           HN       GLN  78   0.290  -0.780  -3.597
  584    HA   GLN  78           HA       GLN  78  -0.215  -1.790  -6.384
  585   1HB   GLN  78           HB2      GLN  78   1.329  -3.078  -4.124
  586   2HB   GLN  78           HB1      GLN  78   0.820  -3.944  -5.574
  587   1HG   GLN  78           HG2      GLN  78   2.025  -2.160  -6.927
  588   2HG   GLN  78           HG1      GLN  78   2.707  -1.577  -5.410
  589   1HE2  GLN  78          HE22      GLN  78   5.209  -3.931  -6.700
  590   2HE2  GLN  78          HE21      GLN  78   4.641  -2.374  -7.050
  591    H    PHE  79           HN       PHE  79  -1.901  -3.187  -6.612
  592    HA   PHE  79           HA       PHE  79  -3.641  -3.547  -4.197
  593   1HB   PHE  79           HB2      PHE  79  -4.284  -3.485  -7.155
  594   2HB   PHE  79           HB1      PHE  79  -5.459  -3.843  -5.883
  595    HD1  PHE  79           HD2      PHE  79  -3.050  -1.293  -7.108
  596    HD2  PHE  79           HD1      PHE  79  -6.391  -2.107  -4.539
  597    HE1  PHE  79           HE2      PHE  79  -3.274   1.128  -6.635
  598    HE2  PHE  79           HE1      PHE  79  -6.609   0.314  -4.055
  599    HZ   PHE  79           HZ       PHE  79  -5.054   1.933  -5.105
  600    H    PHE  80           HN       PHE  80  -4.175  -5.511  -3.520
  601    HA   PHE  80           HA       PHE  80  -3.526  -7.872  -5.225
  602   1HB   PHE  80           HB2      PHE  80  -2.919  -7.454  -2.293
  603   2HB   PHE  80           HB1      PHE  80  -2.901  -9.038  -3.065
  604    HD1  PHE  80           HD2      PHE  80  -1.231  -5.726  -2.895
  605    HD2  PHE  80           HD1      PHE  80  -1.196  -9.653  -4.660
  606    HE1  PHE  80           HE2      PHE  80   1.080  -5.352  -3.704
  607    HE2  PHE  80           HE1      PHE  80   1.117  -9.268  -5.467
  608    HZ   PHE  80           HZ       PHE  80   2.254  -7.116  -4.989
  609    H    LYS  81           HN       LYS  81  -5.026  -9.548  -5.099
  610    HA   LYS  81           HA       LYS  81  -7.223  -9.354  -3.115
  611   1HB   LYS  81           HB2      LYS  81  -7.805  -8.026  -5.242
  612   2HB   LYS  81           HB1      LYS  81  -7.789  -9.573  -6.086
  613   1HG   LYS  81           HG2      LYS  81  -9.481 -10.417  -4.445
  614   2HG   LYS  81           HG1      LYS  81  -9.568  -8.797  -3.763
  615   1HD   LYS  81           HD2      LYS  81 -10.100  -7.968  -6.106
  616   2HD   LYS  81           HD1      LYS  81 -10.307  -9.660  -6.562
  617   1HE   LYS  81           HE2      LYS  81 -12.039  -9.934  -4.850
  618   2HE   LYS  81           HE1      LYS  81 -11.810  -8.261  -4.330
  619   1HZ   LYS  81           HZ3      LYS  81 -12.620  -9.076  -7.069
  620   2HZ   LYS  81           HZ2      LYS  81 -13.698  -8.559  -5.864
  621   3HZ   LYS  81           HZ1      LYS  81 -12.523  -7.493  -6.471
  622    H    LYS  82           HN       LYS  82  -7.692 -11.419  -2.458
  623    HA   LYS  82           HA       LYS  82  -7.598 -13.755  -2.314
  624   1HB   LYS  82           HB2      LYS  82  -7.569 -13.625  -5.359
  625   2HB   LYS  82           HB1      LYS  82  -7.862 -15.064  -4.394
  626   1HG   LYS  82           HG2      LYS  82  -9.796 -13.633  -3.332
  627   2HG   LYS  82           HG1      LYS  82  -9.628 -12.665  -4.792
  628   1HD   LYS  82           HD2      LYS  82  -9.823 -14.836  -6.114
  629   2HD   LYS  82           HD1      LYS  82 -10.312 -15.601  -4.603
  630   1HE   LYS  82           HE2      LYS  82 -12.201 -14.068  -4.392
  631   2HE   LYS  82           HE1      LYS  82 -11.691 -13.201  -5.840
  632   1HZ   LYS  82           HZ3      LYS  82 -11.883 -15.967  -6.382
  633   2HZ   LYS  82           HZ2      LYS  82 -13.340 -15.421  -5.699
  634   3HZ   LYS  82           HZ1      LYS  82 -12.726 -14.682  -7.100
  635    H    GLY  83           HN       GLY  83  -5.115 -12.071  -2.534
  636   1HA   GLY  83           HA2      GLY  83  -2.833 -12.630  -2.337
  637   2HA   GLY  83           HA1      GLY  83  -3.247 -14.299  -2.723
  638    H    GLN  84           HN       GLN  84  -4.375 -11.806  -4.863
  639    HA   GLN  84           HA       GLN  84  -2.179 -12.438  -6.796
  640   1HB   GLN  84           HB2      GLN  84  -5.146 -12.268  -7.356
  641   2HB   GLN  84           HB1      GLN  84  -3.897 -12.408  -8.591
  642   1HG   GLN  84           HG2      GLN  84  -3.128 -14.528  -7.491
  643   2HG   GLN  84           HG1      GLN  84  -4.514 -14.408  -6.403
  644   1HE2  GLN  84          HE22      GLN  84  -6.736 -14.602  -9.447
  645   2HE2  GLN  84          HE21      GLN  84  -6.404 -13.368  -8.328
  646    H    LYS  85           HN       LYS  85  -1.450 -10.713  -8.020
  647    HA   LYS  85           HA       LYS  85  -2.197  -8.025  -7.115
  648   1HB   LYS  85           HB2      LYS  85   0.145  -8.682  -7.688
  649   2HB   LYS  85           HB1      LYS  85  -0.353  -8.887  -9.367
  650   1HG   LYS  85           HG2      LYS  85  -1.078  -6.505  -9.409
  651   2HG   LYS  85           HG1      LYS  85  -0.466  -6.317  -7.765
  652   1HD   LYS  85           HD2      LYS  85   1.786  -7.088  -8.597
  653   2HD   LYS  85           HD1      LYS  85   1.136  -7.031 -10.237
  654   1HE   LYS  85           HE2      LYS  85   0.580  -4.643  -9.920
  655   2HE   LYS  85           HE1      LYS  85   1.282  -4.704  -8.304
  656   1HZ   LYS  85           HZ1      LYS  85   2.926  -5.642 -10.527
  657   2HZ   LYS  85           HZ3      LYS  85   2.673  -3.970 -10.404
  658   3HZ   LYS  85           HZ2      LYS  85   3.380  -4.817  -9.113
  659    H    VAL  86           HN       VAL  86  -3.773  -6.813  -8.026
  660    HA   VAL  86           HA       VAL  86  -4.647  -7.434 -10.827
  661    HB   VAL  86           HB       VAL  86  -6.924  -6.617 -10.058
  662   1HG1  VAL  86          HG11      VAL  86  -6.332  -9.029 -10.346
  663   2HG1  VAL  86          HG13      VAL  86  -5.852  -9.082  -8.650
  664   3HG1  VAL  86          HG12      VAL  86  -7.533  -8.767  -9.081
  665   1HG2  VAL  86          HG21      VAL  86  -5.947  -5.527  -7.967
  666   2HG2  VAL  86          HG23      VAL  86  -7.391  -6.506  -7.707
  667   3HG2  VAL  86          HG22      VAL  86  -5.803  -7.151  -7.294
  668    H    GLY  87           HN       GLY  87  -2.898  -5.212  -9.260
  669   1HA   GLY  87           HA2      GLY  87  -3.377  -3.163 -11.191
  670   2HA   GLY  87           HA1      GLY  87  -4.265  -2.744  -9.730
  671    H    GLU  88           HN       GLU  88  -2.122  -1.219 -10.824
  672    HA   GLU  88           HA       GLU  88  -0.493  -0.866  -8.465
  673   1HB   GLU  88           HB2      GLU  88   1.006  -2.518  -9.052
  674   2HB   GLU  88           HB1      GLU  88   0.541  -2.473 -10.745
  675   1HG   GLU  88           HG2      GLU  88   2.882  -1.766 -10.410
  676   2HG   GLU  88           HG1      GLU  88   1.921  -0.456 -11.082
  677    H    PHE  89           HN       PHE  89   0.612   1.140  -8.526
  678    HA   PHE  89           HA       PHE  89   0.984   2.642 -10.942
  679   1HB   PHE  89           HB2      PHE  89  -0.732   4.243 -10.881
  680   2HB   PHE  89           HB1      PHE  89  -1.562   2.725 -10.586
  681    HD1  PHE  89           HD1      PHE  89  -0.060   5.670  -8.850
  682    HD2  PHE  89           HD2      PHE  89  -2.881   2.443  -8.636
  683    HE1  PHE  89           HE1      PHE  89  -1.001   6.633  -6.765
  684    HE2  PHE  89           HE2      PHE  89  -3.823   3.401  -6.550
  685    HZ   PHE  89           HZ       PHE  89  -2.890   5.506  -5.621
  686    H    SER  90           HN       SER  90   1.948   4.759 -10.534
  687    HA   SER  90           HA       SER  90   2.939   5.109  -7.721
  688   1HB   SER  90           HB2      SER  90   5.091   5.862  -8.646
  689   2HB   SER  90           HB1      SER  90   4.753   4.200  -9.127
  690    HG   SER  90           HG       SER  90   3.675   5.927 -10.884
  691    H    GLY  91           HN       GLY  91   3.688   7.342  -7.294
  692   1HA   GLY  91           HA2      GLY  91   3.695   9.705  -8.151
  693   2HA   GLY  91           HA1      GLY  91   2.136   9.366  -8.892
  694    H    ALA  92           HN       ALA  92   3.017  11.303  -6.716
  695    HA   ALA  92           HA       ALA  92   1.703  10.362  -4.294
  696   1HB   ALA  92           HB3      ALA  92   2.878  12.963  -5.239
  697   2HB   ALA  92           HB2      ALA  92   1.917  12.926  -3.766
  698   3HB   ALA  92           HB1      ALA  92   3.382  11.949  -3.893
  699    H    ASN  93           HN       ASN  93  -0.302   9.812  -5.799
  700    HA   ASN  93           HA       ASN  93  -2.174  12.168  -5.783
  701   1HB   ASN  93           HB2      ASN  93  -1.621  11.184  -8.066
  702   2HB   ASN  93           HB1      ASN  93  -2.414   9.705  -7.527
  703   1HD2  ASN  93          HD22      ASN  93  -5.235  12.502  -7.086
  704   2HD2  ASN  93          HD21      ASN  93  -3.954  12.281  -5.995
  705    H    LYS  94           HN       LYS  94  -2.995  11.787  -3.704
  706    HA   LYS  94           HA       LYS  94  -3.689   9.181  -2.697
  707   1HB   LYS  94           HB2      LYS  94  -4.981  10.516  -1.014
  708   2HB   LYS  94           HB1      LYS  94  -3.285  10.956  -1.146
  709   1HG   LYS  94           HG2      LYS  94  -4.995  12.496  -3.000
  710   2HG   LYS  94           HG1      LYS  94  -5.471  12.724  -1.324
  711   1HD   LYS  94           HD2      LYS  94  -3.038  13.230  -0.808
  712   2HD   LYS  94           HD1      LYS  94  -2.747  13.225  -2.552
  713   1HE   LYS  94           HE2      LYS  94  -4.401  15.002  -2.856
  714   2HE   LYS  94           HE1      LYS  94  -4.781  14.968  -1.134
  715   1HZ   LYS  94           HZ1      LYS  94  -2.113  15.602  -2.279
  716   2HZ   LYS  94           HZ3      LYS  94  -3.227  16.753  -1.720
  717   3HZ   LYS  94           HZ2      LYS  94  -2.538  15.643  -0.633
  718    H    GLU  95           HN       GLU  95  -5.534  11.600  -4.526
  719    HA   GLU  95           HA       GLU  95  -8.127  10.479  -4.046
  720   1HB   GLU  95           HB2      GLU  95  -7.069  12.037  -6.423
  721   2HB   GLU  95           HB1      GLU  95  -8.772  11.726  -6.098
  722   1HG   GLU  95           HG2      GLU  95  -6.940  13.109  -4.131
  723   2HG   GLU  95           HG1      GLU  95  -7.941  13.977  -5.294
  724    H    LYS  96           HN       LYS  96  -5.557   9.692  -6.251
  725    HA   LYS  96           HA       LYS  96  -6.958   8.119  -8.144
  726   1HB   LYS  96           HB2      LYS  96  -4.559   8.921  -8.191
  727   2HB   LYS  96           HB1      LYS  96  -4.172   7.616  -7.087
  728   1HG   LYS  96           HG2      LYS  96  -4.704   5.943  -8.665
  729   2HG   LYS  96           HG1      LYS  96  -5.579   7.075  -9.701
  730   1HD   LYS  96           HD2      LYS  96  -3.453   8.277 -10.149
  731   2HD   LYS  96           HD1      LYS  96  -2.591   7.086  -9.175
  732   1HE   LYS  96           HE2      LYS  96  -3.312   5.297 -10.701
  733   2HE   LYS  96           HE1      LYS  96  -4.222   6.467 -11.656
  734   1HZ   LYS  96           HZ3      LYS  96  -1.393   7.004 -11.161
  735   2HZ   LYS  96           HZ2      LYS  96  -1.783   5.791 -12.284
  736   3HZ   LYS  96           HZ1      LYS  96  -2.347   7.377 -12.513
  737    H    LEU  97           HN       LEU  97  -5.721   7.397  -4.936
  738    HA   LEU  97           HA       LEU  97  -5.997   4.566  -4.960
  739   1HB   LEU  97           HB2      LEU  97  -6.318   6.630  -2.764
  740   2HB   LEU  97           HB1      LEU  97  -6.397   4.908  -2.450
  741    HG   LEU  97           HG       LEU  97  -4.037   6.256  -3.776
  742   1HD1  LEU  97          HD12      LEU  97  -4.562   5.584  -0.867
  743   2HD1  LEU  97          HD11      LEU  97  -2.957   5.937  -1.502
  744   3HD1  LEU  97          HD13      LEU  97  -4.215   7.173  -1.550
  745   1HD2  LEU  97          HD21      LEU  97  -4.621   3.477  -2.725
  746   2HD2  LEU  97          HD23      LEU  97  -3.923   3.939  -4.273
  747   3HD2  LEU  97          HD22      LEU  97  -2.973   4.069  -2.809
  748    H    GLU  98           HN       GLU  98  -8.234   7.177  -4.309
  749    HA   GLU  98           HA       GLU  98 -10.432   5.622  -3.375
  750   1HB   GLU  98           HB2      GLU  98 -10.294   8.094  -3.215
  751   2HB   GLU  98           HB1      GLU  98 -10.520   8.207  -4.957
  752   1HG   GLU  98           HG2      GLU  98 -12.513   6.780  -3.187
  753   2HG   GLU  98           HG1      GLU  98 -12.613   8.513  -3.485
  754    H    ALA  99           HN       ALA  99  -9.608   6.624  -6.705
  755    HA   ALA  99           HA       ALA  99 -11.974   5.438  -7.841
  756   1HB   ALA  99           HB2      ALA  99 -10.622   7.197  -8.968
  757   2HB   ALA  99           HB1      ALA  99  -9.336   6.013  -9.214
  758   3HB   ALA  99           HB3      ALA  99 -10.901   5.792  -9.996
  759    H    THR 100           HN       THR 100  -8.631   4.212  -7.553
  760    HA   THR 100           HA       THR 100  -9.137   1.803  -9.006
  761    HB   THR 100           HB       THR 100  -7.145   2.146  -6.750
  762    HG1  THR 100           HG1      THR 100  -5.979   3.293  -8.079
  763   1HG2  THR 100          HG21      THR 100  -7.327   0.342  -9.174
  764   2HG2  THR 100          HG23      THR 100  -5.862   0.530  -8.213
  765   3HG2  THR 100          HG22      THR 100  -7.320  -0.141  -7.478
  766    H    ILE 101           HN       ILE 101  -9.450   2.590  -5.564
  767    HA   ILE 101           HA       ILE 101 -10.080  -0.058  -4.637
  768    HB   ILE 101           HB       ILE 101 -10.874   2.695  -3.622
  769   1HG1  ILE 101          HG12      ILE 101  -8.978   0.698  -2.363
  770   2HG1  ILE 101          HG11      ILE 101  -8.425   1.836  -3.591
  771   1HG2  ILE 101          HG22      ILE 101 -11.381  -0.048  -2.435
  772   2HG2  ILE 101          HG21      ILE 101 -11.422   1.435  -1.480
  773   3HG2  ILE 101          HG23      ILE 101 -12.569   1.205  -2.798
  774   1HD1  ILE 101          HD11      ILE 101  -9.337   3.705  -2.185
  775   2HD1  ILE 101          HD13      ILE 101  -9.715   2.522  -0.934
  776   3HD1  ILE 101          HD12      ILE 101  -8.038   2.809  -1.398
  777    H    ASN 102           HN       ASN 102 -12.147   2.663  -5.653
  778    HA   ASN 102           HA       ASN 102 -14.630   1.290  -5.438
  779   1HB   ASN 102           HB2      ASN 102 -14.446   3.748  -5.757
  780   2HB   ASN 102           HB1      ASN 102 -13.839   3.483  -7.393
  781   1HD2  ASN 102          HD22      ASN 102 -17.794   3.520  -6.782
  782   2HD2  ASN 102          HD21      ASN 102 -16.664   4.066  -5.640
  783    H    GLU 103           HN       GLU 103 -12.190   1.427  -7.961
  784    HA   GLU 103           HA       GLU 103 -13.710   0.118 -10.009
  785   1HB   GLU 103           HB2      GLU 103 -11.552   1.439 -10.283
  786   2HB   GLU 103           HB1      GLU 103 -10.711   0.040  -9.624
  787   1HG   GLU 103           HG2      GLU 103 -10.618  -0.197 -12.007
  788   2HG   GLU 103           HG1      GLU 103 -11.808  -1.363 -11.433
  789    H    LEU 104           HN       LEU 104 -11.501  -1.119  -7.496
  790    HA   LEU 104           HA       LEU 104 -12.028  -3.902  -8.413
  791   1HB   LEU 104           HB2      LEU 104 -10.099  -2.826  -6.345
  792   2HB   LEU 104           HB1      LEU 104 -10.212  -4.511  -6.842
  793    HG   LEU 104           HG       LEU 104  -9.573  -2.193  -8.692
  794   1HD1  LEU 104          HD11      LEU 104  -7.827  -4.206  -7.267
  795   2HD1  LEU 104          HD13      LEU 104  -7.282  -3.335  -8.701
  796   3HD1  LEU 104          HD12      LEU 104  -7.707  -2.447  -7.238
  797   1HD2  LEU 104          HD23      LEU 104  -9.881  -5.173  -9.067
  798   2HD2  LEU 104          HD22      LEU 104 -10.451  -3.859 -10.097
  799   3HD2  LEU 104          HD21      LEU 104  -8.744  -4.287 -10.083
  800    H    VAL 105           HN       VAL 105 -13.418  -1.762  -6.219
  801    HA   VAL 105           HA       VAL 105 -13.756  -3.460  -3.933
  802    HB   VAL 105           HB       VAL 105 -14.329  -0.966  -4.090
  803   1HG1  VAL 105          HG11      VAL 105 -15.827  -1.496  -6.196
  804   2HG1  VAL 105          HG13      VAL 105 -17.060  -1.854  -4.991
  805   3HG1  VAL 105          HG12      VAL 105 -16.334  -0.250  -5.059
  806   1HG2  VAL 105          HG21      VAL 105 -16.333  -2.916  -2.925
  807   2HG2  VAL 105          HG23      VAL 105 -14.896  -2.282  -2.124
  808   3HG2  VAL 105          HG22      VAL 105 -16.243  -1.206  -2.499
  809    HA   PRO  59           HA       PRO 106  13.395  18.272 -13.779
  810   1HB   PRO  59           HB2      PRO 106  16.103  17.902 -12.553
  811   2HB   PRO  59           HB1      PRO 106  15.606  17.760 -14.252
  812   1HG   PRO  59           HG2      PRO 106  16.995  19.867 -13.388
  813   2HG   PRO  59           HG1      PRO 106  15.725  20.039 -14.614
  814   1HD   PRO  59           HD2      PRO 106  15.640  20.755 -11.702
  815   2HD   PRO  59           HD1      PRO 106  14.886  21.577 -13.088
  816    H    ALA  60           HN       ALA 107  14.323  18.627 -10.376
  817    HA   ALA  60           HA       ALA 107  13.907  15.783  -9.795
  818   1HB   ALA  60           HB1      ALA 107  15.475  17.256  -8.479
  819   2HB   ALA  60           HB3      ALA 107  14.064  18.112  -7.856
  820   3HB   ALA  60           HB2      ALA 107  14.297  16.404  -7.481
  821    H    THR  61           HN       THR 108  11.946  14.874  -9.299
  822    HA   THR  61           HA       THR 108   9.587  16.692  -9.119
  823    HB   THR  61           HB       THR 108   9.637  13.668  -9.377
  824    HG1  THR  61           HG1      THR 108   9.011  14.592 -11.644
  825   1HG2  THR  61          HG22      THR 108   7.528  14.920  -8.616
  826   2HG2  THR  61          HG21      THR 108   7.503  15.627 -10.231
  827   3HG2  THR  61          HG23      THR 108   7.362  13.882 -10.031
  828    H    LEU  62           HN       LEU 109   8.835  17.171  -7.128
  829    HA   LEU  62           HA       LEU 109   9.716  15.795  -4.733
  830   1HB   LEU  62           HB2      LEU 109   7.562  17.866  -5.234
  831   2HB   LEU  62           HB1      LEU 109   7.947  17.249  -3.631
  832    HG   LEU  62           HG       LEU 109   9.973  18.538  -5.484
  833   1HD1  LEU  62          HD12      LEU 109   8.410  19.706  -3.159
  834   2HD1  LEU  62          HD11      LEU 109   9.773  20.500  -3.949
  835   3HD1  LEU  62          HD13      LEU 109   8.292  20.186  -4.852
  836   1HD2  LEU  62          HD23      LEU 109  10.071  17.346  -2.728
  837   2HD2  LEU  62          HD22      LEU 109  11.296  17.361  -3.993
  838   3HD2  LEU  62          HD21      LEU 109  11.028  18.801  -3.015
  839    H    LYS  63           HN       LYS 110   7.030  15.444  -6.909
  840    HA   LYS  63           HA       LYS 110   5.195  14.122  -5.146
  841   1HB   LYS  63           HB2      LYS 110   5.528  13.810  -8.147
  842   2HB   LYS  63           HB1      LYS 110   4.113  13.331  -7.218
  843   1HG   LYS  63           HG2      LYS 110   5.135  16.179  -7.226
  844   2HG   LYS  63           HG1      LYS 110   3.981  15.597  -8.422
  845   1HD   LYS  63           HD2      LYS 110   2.507  14.868  -6.489
  846   2HD   LYS  63           HD1      LYS 110   3.600  15.748  -5.422
  847   1HE   LYS  63           HE2      LYS 110   3.183  17.817  -6.691
  848   2HE   LYS  63           HE1      LYS 110   2.098  16.939  -7.769
  849   1HZ   LYS  63           HZ1      LYS 110   0.837  16.315  -5.692
  850   2HZ   LYS  63           HZ3      LYS 110   1.746  17.495  -4.883
  851   3HZ   LYS  63           HZ2      LYS 110   0.729  17.941  -6.171
  852    H    ILE  64           HN       ILE 111   8.132  13.092  -6.600
  853    HA   ILE  64           HA       ILE 111   7.602  10.250  -5.761
  854    HB   ILE  64           HB       ILE 111   9.061  11.269  -8.224
  855   1HG1  ILE  64          HG12      ILE 111   6.638  11.159  -8.517
  856   2HG1  ILE  64          HG11      ILE 111   7.410   9.878  -9.440
  857   1HG2  ILE  64          HG23      ILE 111   8.904   8.488  -7.049
  858   2HG2  ILE  64          HG22      ILE 111   9.370   8.815  -8.719
  859   3HG2  ILE  64          HG21      ILE 111  10.357   9.431  -7.394
  860   1HD1  ILE  64          HD13      ILE 111   6.974   8.486  -7.192
  861   2HD1  ILE  64          HD12      ILE 111   5.704   9.685  -6.992
  862   3HD1  ILE  64          HD11      ILE 111   5.731   8.660  -8.426
  863    H    CYS  65           HN       CYS 112   9.335   9.256  -4.648
  864    HA   CYS  65           HA       CYS 112  11.663  11.016  -3.999
  865   1HB   CYS  65           HB2      CYS 112  10.851   8.433  -2.630
  866   2HB   CYS  65           HB1      CYS 112  12.075   9.562  -2.084
  867    H    SER  66           HN       SER 113  13.643  10.468  -4.879
  868    HA   SER  66           HA       SER 113  13.788   8.194  -6.707
  869   1HB   SER  66           HB2      SER 113  15.928  10.138  -5.786
  870   2HB   SER  66           HB1      SER 113  16.103   8.990  -7.109
  871    HG   SER  66           HG       SER 113  15.424  11.212  -7.648
  872    H    TRP  67           HN       TRP 114  14.916   6.242  -6.396
  873    HA   TRP  67           HA       TRP 114  15.513   5.482  -3.638
  874   1HB   TRP  67           HB2      TRP 114  15.840   4.000  -6.260
  875   2HB   TRP  67           HB1      TRP 114  16.271   3.307  -4.695
  876    HD1  TRP  67           HD1      TRP 114  13.188   5.300  -5.939
  877    HE1  TRP  67           HE1      TRP 114  11.075   4.068  -5.164
  878    HE3  TRP  67           HE3      TRP 114  15.279   1.276  -3.585
  879    HZ2  TRP  67           HZ2      TRP 114  10.368   1.727  -3.706
  880    HZ3  TRP  67           HZ3      TRP 114  13.862  -0.434  -2.515
  881    HH2  TRP  67           HH2      TRP 114  11.397  -0.222  -2.582
  882    H    ASN  68           HN       ASN 115  17.246   7.062  -6.055
  883    HA   ASN  68           HA       ASN 115  19.854   6.039  -5.878
  884   1HB   ASN  68           HB2      ASN 115  18.880   8.911  -6.062
  885   2HB   ASN  68           HB1      ASN 115  20.571   8.440  -6.269
  886   1HD2  ASN  68          HD22      ASN 115  18.646   6.291  -9.037
  887   2HD2  ASN  68          HD21      ASN 115  18.683   5.891  -7.389
  888    H    VAL  69           HN       VAL 116  17.899   7.375  -3.416
  889    HA   VAL  69           HA       VAL 116  19.863   8.555  -1.711
  890    HB   VAL  69           HB       VAL 116  18.248   7.911   0.144
  891   1HG1  VAL  69          HG11      VAL 116  18.086  10.029  -1.211
  892   2HG1  VAL  69          HG13      VAL 116  16.947   9.199  -2.272
  893   3HG1  VAL  69          HG12      VAL 116  16.539   9.466  -0.578
  894   1HG2  VAL  69          HG23      VAL 116  17.478   5.830  -1.177
  895   2HG2  VAL  69          HG22      VAL 116  16.221   6.776  -0.383
  896   3HG2  VAL  69          HG21      VAL 116  16.489   6.944  -2.115
  897    H    ASP  70           HN       ASP 117  21.176   7.613  -0.078
  898    HA   ASP  70           HA       ASP 117  22.247   5.028  -0.603
  899   1HB   ASP  70           HB2      ASP 117  22.328   6.743   1.896
  900   2HB   ASP  70           HB1      ASP 117  23.248   5.249   1.715
  901    H    GLY  71           HN       GLY 118  19.735   6.097   1.655
  902   1HA   GLY  71           HA2      GLY 118  18.519   3.479   1.725
  903   2HA   GLY  71           HA1      GLY 118  19.415   3.796   3.212
   
  No H/Q in entry =         903
  Start of MODEL   35
    1   1H    MET   1           HT3      MET   1  -8.899  -1.313   9.231
    2   2H    MET   1           HT2      MET   1  -9.494  -1.690  10.777
    3   3H    MET   1           HT1      MET   1  -9.723  -0.135  10.131
    4    HA   MET   1           HA       MET   1  -7.861   0.522  11.110
    5   1HB   MET   1           HB2      MET   1  -7.407  -2.424  11.673
    6   2HB   MET   1           HB1      MET   1  -6.492  -1.102  12.397
    7   1HG   MET   1           HG2      MET   1  -9.489  -1.491  12.662
    8   2HG   MET   1           HG1      MET   1  -8.302  -1.913  13.889
    9   1HE   MET   1           HE1      MET   1 -10.066   0.619  11.842
   10   2HE   MET   1           HE3      MET   1 -10.912   0.693  13.393
   11   3HE   MET   1           HE2      MET   1 -10.046   2.103  12.788
   12    H    VAL   2           HN       VAL   2  -5.285  -0.225  11.127
   13    HA   VAL   2           HA       VAL   2  -4.582  -0.762   8.247
   14    HB   VAL   2           HB       VAL   2  -3.342   1.130  10.269
   15   1HG1  VAL   2          HG12      VAL   2  -2.343   0.155   7.584
   16   2HG1  VAL   2          HG11      VAL   2  -1.799   1.673   8.301
   17   3HG1  VAL   2          HG13      VAL   2  -1.489   0.145   9.127
   18   1HG2  VAL   2          HG21      VAL   2  -4.573   1.530   7.530
   19   2HG2  VAL   2          HG23      VAL   2  -5.333   1.952   9.064
   20   3HG2  VAL   2          HG22      VAL   2  -3.884   2.807   8.530
   21    H    LYS   3           HN       LYS   3  -2.536  -1.915   7.938
   22    HA   LYS   3           HA       LYS   3  -1.525  -3.364  10.362
   23   1HB   LYS   3           HB2      LYS   3  -3.074  -4.769   8.947
   24   2HB   LYS   3           HB1      LYS   3  -1.975  -4.535   7.593
   25   1HG   LYS   3           HG2      LYS   3  -1.252  -6.593   8.434
   26   2HG   LYS   3           HG1      LYS   3  -0.156  -5.478   9.243
   27   1HD   LYS   3           HD2      LYS   3  -1.657  -5.480  11.228
   28   2HD   LYS   3           HD1      LYS   3  -2.701  -6.639  10.412
   29   1HE   LYS   3           HE2      LYS   3  -1.265  -7.908  11.852
   30   2HE   LYS   3           HE1      LYS   3  -0.672  -8.153  10.210
   31   1HZ   LYS   3           HZ2      LYS   3   0.646  -5.933  11.030
   32   2HZ   LYS   3           HZ1      LYS   3   0.600  -6.877  12.442
   33   3HZ   LYS   3           HZ3      LYS   3   1.280  -7.508  11.024
   34    H    GLN   4           HN       GLN   4   0.683  -3.185  10.529
   35    HA   GLN   4           HA       GLN   4   2.176  -2.046   8.209
   36   1HB   GLN   4           HB2      GLN   4   2.426  -0.930  10.416
   37   2HB   GLN   4           HB1      GLN   4   3.035  -2.437  11.098
   38   1HG   GLN   4           HG2      GLN   4   4.930  -2.401   9.513
   39   2HG   GLN   4           HG1      GLN   4   4.313  -0.906   8.809
   40   1HE2  GLN   4          HE22      GLN   4   6.468   0.732  11.106
   41   2HE2  GLN   4          HE21      GLN   4   6.181   0.358   9.476
   42    H    ILE   5           HN       ILE   5   3.370  -3.400   6.980
   43    HA   ILE   5           HA       ILE   5   4.001  -6.133   8.029
   44    HB   ILE   5           HB       ILE   5   4.178  -5.096   5.194
   45   1HG1  ILE   5          HG12      ILE   5   1.863  -4.876   5.867
   46   2HG1  ILE   5          HG11      ILE   5   2.000  -6.332   4.884
   47   1HG2  ILE   5          HG23      ILE   5   4.133  -7.854   6.431
   48   2HG2  ILE   5          HG22      ILE   5   4.008  -7.530   4.710
   49   3HG2  ILE   5          HG21      ILE   5   5.475  -7.095   5.574
   50   1HD1  ILE   5          HD13      ILE   5   2.342  -7.567   7.155
   51   2HD1  ILE   5          HD12      ILE   5   1.662  -6.107   7.871
   52   3HD1  ILE   5          HD11      ILE   5   0.712  -7.049   6.724
   53    H    GLU   6           HN       GLU   6   6.034  -6.213   8.899
   54    HA   GLU   6           HA       GLU   6   8.129  -4.381   7.870
   55   1HB   GLU   6           HB2      GLU   6   8.145  -6.299  10.226
   56   2HB   GLU   6           HB1      GLU   6   9.400  -5.124   9.839
   57   1HG   GLU   6           HG2      GLU   6   8.122  -3.972  11.431
   58   2HG   GLU   6           HG1      GLU   6   7.467  -3.375   9.910
   59    H    SER   7           HN       SER   7   7.023  -7.441   7.107
   60    HA   SER   7           HA       SER   7   9.592  -8.093   5.809
   61   1HB   SER   7           HB2      SER   7   9.708 -10.358   6.786
   62   2HB   SER   7           HB1      SER   7   9.890  -9.108   8.022
   63    HG   SER   7           HG       SER   7   8.230 -10.019   8.937
   64    H    LYS   8           HN       LYS   8   9.419  -9.796   4.244
   65    HA   LYS   8           HA       LYS   8   6.928  -9.844   2.820
   66   1HB   LYS   8           HB2      LYS   8   9.230 -10.274   1.836
   67   2HB   LYS   8           HB1      LYS   8   9.149 -11.877   2.575
   68   1HG   LYS   8           HG2      LYS   8   6.856 -12.085   1.366
   69   2HG   LYS   8           HG1      LYS   8   7.416 -10.728   0.394
   70   1HD   LYS   8           HD2      LYS   8   8.770 -13.424   0.695
   71   2HD   LYS   8           HD1      LYS   8   7.976 -12.797  -0.747
   72   1HE   LYS   8           HE2      LYS   8  10.491 -11.719   0.554
   73   2HE   LYS   8           HE1      LYS   8  10.360 -12.512  -1.013
   74   1HZ   LYS   8           HZ1      LYS   8   9.021  -9.960  -0.296
   75   2HZ   LYS   8           HZ3      LYS   8  10.455 -10.083  -1.194
   76   3HZ   LYS   8           HZ2      LYS   8   9.007 -10.714  -1.819
   77    H    THR   9           HN       THR   9   8.392 -11.918   5.238
   78    HA   THR   9           HA       THR   9   6.756 -14.202   4.927
   79    HB   THR   9           HB       THR   9   7.760 -13.010   7.526
   80    HG1  THR   9           HG1      THR   9   9.583 -13.450   6.567
   81   1HG2  THR   9          HG23      THR   9   6.909 -15.826   6.791
   82   2HG2  THR   9          HG22      THR   9   7.647 -15.359   8.323
   83   3HG2  THR   9          HG21      THR   9   6.058 -14.734   7.882
   84    H    ALA  10           HN       ALA  10   6.221 -11.302   6.924
   85    HA   ALA  10           HA       ALA  10   3.568 -12.104   7.730
   86   1HB   ALA  10           HB3      ALA  10   5.099  -9.507   7.814
   87   2HB   ALA  10           HB2      ALA  10   3.382  -9.540   8.221
   88   3HB   ALA  10           HB1      ALA  10   4.530 -10.497   9.156
   89    H    PHE  11           HN       PHE  11   4.885 -10.361   4.986
   90    HA   PHE  11           HA       PHE  11   2.503  -9.130   4.027
   91   1HB   PHE  11           HB2      PHE  11   4.882  -8.849   3.137
   92   2HB   PHE  11           HB1      PHE  11   4.685 -10.388   2.324
   93    HD1  PHE  11           HD1      PHE  11   2.833  -7.133   2.733
   94    HD2  PHE  11           HD2      PHE  11   3.948 -10.350   0.109
   95    HE1  PHE  11           HE1      PHE  11   1.720  -5.984   0.846
   96    HE2  PHE  11           HE2      PHE  11   2.828  -9.196  -1.778
   97    HZ   PHE  11           HZ       PHE  11   1.711  -7.015  -1.408
   98    H    GLN  12           HN       GLN  12   3.845 -12.375   3.496
   99    HA   GLN  12           HA       GLN  12   1.785 -13.280   1.691
  100   1HB   GLN  12           HB2      GLN  12   3.531 -14.828   3.649
  101   2HB   GLN  12           HB1      GLN  12   2.587 -15.551   2.347
  102   1HG   GLN  12           HG2      GLN  12   4.769 -13.483   1.950
  103   2HG   GLN  12           HG1      GLN  12   4.979 -15.218   1.716
  104   1HE2  GLN  12          HE22      GLN  12   3.477 -13.065  -1.289
  105   2HE2  GLN  12          HE21      GLN  12   4.272 -12.391   0.051
  106    H    GLU  13           HN       GLU  13   2.218 -13.446   5.199
  107    HA   GLU  13           HA       GLU  13  -0.157 -14.923   5.798
  108   1HB   GLU  13           HB2      GLU  13   1.445 -12.936   7.433
  109   2HB   GLU  13           HB1      GLU  13   0.177 -13.950   8.099
  110   1HG   GLU  13           HG2      GLU  13   2.635 -15.006   6.673
  111   2HG   GLU  13           HG1      GLU  13   2.463 -14.911   8.425
  112    H    ALA  14           HN       ALA  14   0.461 -11.457   5.429
  113    HA   ALA  14           HA       ALA  14  -2.120 -10.628   6.375
  114   1HB   ALA  14           HB3      ALA  14   0.036  -9.207   5.978
  115   2HB   ALA  14           HB2      ALA  14  -0.546  -9.077   4.320
  116   3HB   ALA  14           HB1      ALA  14  -1.531  -8.472   5.654
  117    H    LEU  15           HN       LEU  15  -0.820 -11.306   3.131
  118    HA   LEU  15           HA       LEU  15  -3.173 -10.623   1.693
  119   1HB   LEU  15           HB2      LEU  15  -0.986 -12.638   1.132
  120   2HB   LEU  15           HB1      LEU  15  -2.254 -12.247  -0.029
  121    HG   LEU  15           HG       LEU  15  -0.510 -10.116   1.224
  122   1HD1  LEU  15          HD12      LEU  15   0.015 -11.862  -1.180
  123   2HD1  LEU  15          HD11      LEU  15   0.704 -10.242  -1.057
  124   3HD1  LEU  15          HD13      LEU  15   1.098 -11.462   0.152
  125   1HD2  LEU  15          HD23      LEU  15  -2.394 -10.261  -1.141
  126   2HD2  LEU  15          HD22      LEU  15  -2.374  -9.092   0.179
  127   3HD2  LEU  15          HD21      LEU  15  -1.135  -9.029  -1.068
  128    H    ASP  16           HN       ASP  16  -2.129 -13.635   3.236
  129    HA   ASP  16           HA       ASP  16  -4.391 -15.178   2.366
  130   1HB   ASP  16           HB2      ASP  16  -2.213 -16.132   3.222
  131   2HB   ASP  16           HB1      ASP  16  -2.719 -15.661   4.848
  132    H    ALA  17           HN       ALA  17  -3.751 -13.221   5.247
  133    HA   ALA  17           HA       ALA  17  -6.086 -14.025   6.706
  134   1HB   ALA  17           HB2      ALA  17  -4.055 -12.790   7.620
  135   2HB   ALA  17           HB1      ALA  17  -4.723 -11.329   6.890
  136   3HB   ALA  17           HB3      ALA  17  -5.619 -12.174   8.154
  137    H    ALA  18           HN       ALA  18  -5.521 -11.438   4.343
  138    HA   ALA  18           HA       ALA  18  -8.039 -10.104   4.694
  139   1HB   ALA  18           HB3      ALA  18  -6.237 -10.337   2.272
  140   2HB   ALA  18           HB2      ALA  18  -7.618  -9.244   2.378
  141   3HB   ALA  18           HB1      ALA  18  -6.236  -9.029   3.456
  142    H    GLY  19           HN       GLY  19  -7.041 -12.925   2.855
  143   1HA   GLY  19           HA2      GLY  19  -8.325 -14.569   1.787
  144   2HA   GLY  19           HA1      GLY  19  -9.738 -13.890   2.597
  145    H    ASP  20           HN       ASP  20 -11.239 -13.295   1.129
  146    HA   ASP  20           HA       ASP  20 -10.432 -12.522  -1.607
  147   1HB   ASP  20           HB2      ASP  20 -13.170 -12.897  -0.357
  148   2HB   ASP  20           HB1      ASP  20 -12.858 -12.609  -2.070
  149    H    LYS  21           HN       LYS  21 -10.625 -10.857   1.203
  150    HA   LYS  21           HA       LYS  21 -12.245  -8.581   0.369
  151   1HB   LYS  21           HB2      LYS  21 -10.154  -8.848   2.561
  152   2HB   LYS  21           HB1      LYS  21 -11.254  -7.481   2.370
  153   1HG   LYS  21           HG2      LYS  21 -13.172  -9.133   2.505
  154   2HG   LYS  21           HG1      LYS  21 -11.992 -10.360   2.950
  155   1HD   LYS  21           HD2      LYS  21 -12.713  -9.617   5.050
  156   2HD   LYS  21           HD1      LYS  21 -11.274  -8.635   4.798
  157   1HE   LYS  21           HE2      LYS  21 -12.614  -6.739   4.109
  158   2HE   LYS  21           HE1      LYS  21 -14.080  -7.716   4.098
  159   1HZ   LYS  21           HZ3      LYS  21 -13.791  -8.076   6.481
  160   2HZ   LYS  21           HZ2      LYS  21 -12.416  -7.075   6.472
  161   3HZ   LYS  21           HZ1      LYS  21 -13.944  -6.427   6.113
  162    H    LEU  22           HN       LEU  22 -11.436  -6.543  -0.422
  163    HA   LEU  22           HA       LEU  22  -9.234  -6.682  -2.195
  164   1HB   LEU  22           HB2      LEU  22 -11.256  -4.865  -1.691
  165   2HB   LEU  22           HB1      LEU  22  -9.865  -4.000  -1.063
  166    HG   LEU  22           HG       LEU  22 -10.195  -5.078  -3.868
  167   1HD1  LEU  22          HD13      LEU  22 -10.525  -2.401  -2.578
  168   2HD1  LEU  22          HD12      LEU  22  -9.695  -2.411  -4.128
  169   3HD1  LEU  22          HD11      LEU  22 -11.317  -3.080  -3.993
  170   1HD2  LEU  22          HD23      LEU  22  -7.821  -3.891  -2.433
  171   2HD2  LEU  22          HD22      LEU  22  -7.882  -5.315  -3.477
  172   3HD2  LEU  22          HD21      LEU  22  -7.994  -3.706  -4.171
  173    H    VAL  23           HN       VAL  23  -7.110  -5.530  -1.935
  174    HA   VAL  23           HA       VAL  23  -6.262  -4.973   0.837
  175    HB   VAL  23           HB       VAL  23  -4.906  -7.038  -0.927
  176   1HG1  VAL  23          HG11      VAL  23  -4.210  -5.795   1.737
  177   2HG1  VAL  23          HG13      VAL  23  -3.575  -7.370   1.259
  178   3HG1  VAL  23          HG12      VAL  23  -3.198  -5.938   0.300
  179   1HG2  VAL  23          HG23      VAL  23  -6.578  -7.253   1.585
  180   2HG2  VAL  23          HG22      VAL  23  -6.840  -8.050   0.034
  181   3HG2  VAL  23          HG21      VAL  23  -5.490  -8.533   1.050
  182    H    VAL  24           HN       VAL  24  -5.262  -3.038   0.636
  183    HA   VAL  24           HA       VAL  24  -3.848  -2.408  -1.930
  184    HB   VAL  24           HB       VAL  24  -4.735  -0.496   0.262
  185   1HG1  VAL  24          HG13      VAL  24  -2.846   0.215  -1.239
  186   2HG1  VAL  24          HG12      VAL  24  -3.923   0.002  -2.618
  187   3HG1  VAL  24          HG11      VAL  24  -4.284   1.223  -1.398
  188   1HG2  VAL  24          HG23      VAL  24  -6.076  -1.389  -2.301
  189   2HG2  VAL  24          HG22      VAL  24  -6.738  -1.415  -0.667
  190   3HG2  VAL  24          HG21      VAL  24  -6.491   0.122  -1.496
  191    H    VAL  25           HN       VAL  25  -1.644  -1.811  -1.822
  192    HA   VAL  25           HA       VAL  25  -0.353  -2.007   0.888
  193    HB   VAL  25           HB       VAL  25   0.772  -3.001  -1.745
  194   1HG1  VAL  25          HG13      VAL  25   1.704  -3.316   1.120
  195   2HG1  VAL  25          HG12      VAL  25   2.469  -4.045  -0.292
  196   3HG1  VAL  25          HG11      VAL  25   2.464  -2.293  -0.100
  197   1HG2  VAL  25          HG22      VAL  25  -1.236  -4.285  -0.798
  198   2HG2  VAL  25          HG21      VAL  25   0.238  -5.216  -1.041
  199   3HG2  VAL  25          HG23      VAL  25  -0.205  -4.678   0.577
  200    H    ASP  26           HN       ASP  26   0.687  -0.158   1.403
  201    HA   ASP  26           HA       ASP  26   1.440   1.743  -0.784
  202   1HB   ASP  26           HB2      ASP  26   0.052   2.533   1.171
  203   2HB   ASP  26           HB1      ASP  26   1.431   2.216   2.222
  204    H    PHE  27           HN       PHE  27   3.531   1.654  -1.447
  205    HA   PHE  27           HA       PHE  27   5.626   0.493   0.330
  206   1HB   PHE  27           HB2      PHE  27   5.500   1.126  -2.623
  207   2HB   PHE  27           HB1      PHE  27   7.041   0.804  -1.827
  208    HD1  PHE  27           HD1      PHE  27   7.444  -1.381  -0.718
  209    HD2  PHE  27           HD2      PHE  27   3.942  -0.632  -3.081
  210    HE1  PHE  27           HE1      PHE  27   7.044  -3.823  -0.892
  211    HE2  PHE  27           HE2      PHE  27   3.532  -3.070  -3.236
  212    HZ   PHE  27           HZ       PHE  27   5.077  -4.666  -2.148
  213    H    SER  28           HN       SER  28   4.365   3.288   0.494
  214    HA   SER  28           HA       SER  28   6.226   5.228  -0.324
  215   1HB   SER  28           HB2      SER  28   4.583   5.207   2.217
  216   2HB   SER  28           HB1      SER  28   5.339   6.626   1.499
  217    HG   SER  28           HG       SER  28   2.983   5.925   1.008
  218    H    ALA  29           HN       ALA  29   7.987   6.178   0.646
  219    HA   ALA  29           HA       ALA  29   9.533   4.441   2.451
  220   1HB   ALA  29           HB1      ALA  29  10.044   6.850   0.747
  221   2HB   ALA  29           HB3      ALA  29  11.088   6.647   2.152
  222   3HB   ALA  29           HB2      ALA  29  11.011   5.389   0.918
  223    H    THR  30           HN       THR  30   9.477   4.747   4.660
  224    HA   THR  30           HA       THR  30   7.852   6.863   5.775
  225    HB   THR  30           HB       THR  30   8.187   4.708   6.954
  226    HG1  THR  30           HG1      THR  30   9.471   6.476   8.645
  227   1HG2  THR  30          HG21      THR  30  10.613   4.540   6.174
  228   2HG2  THR  30          HG23      THR  30  11.008   5.634   7.502
  229   3HG2  THR  30          HG22      THR  30  10.295   4.057   7.839
  230    H    TRP  31           HN       TRP  31  11.259   6.395   5.102
  231    HA   TRP  31           HA       TRP  31  12.206   8.674   6.607
  232   1HB   TRP  31           HB2      TRP  31  14.271   8.396   5.343
  233   2HB   TRP  31           HB1      TRP  31  13.677   6.830   5.892
  234    HD1  TRP  31           HD1      TRP  31  12.984   5.094   4.114
  235    HE1  TRP  31           HE1      TRP  31  13.193   4.987   1.548
  236    HE3  TRP  31           HE3      TRP  31  14.037   9.984   3.123
  237    HZ2  TRP  31           HZ2      TRP  31  13.703   6.755  -0.638
  238    HZ3  TRP  31           HZ3      TRP  31  14.356  10.749   0.785
  239    HH2  TRP  31           HH2      TRP  31  14.191   9.140  -1.094
  240    H    CYS  32           HN       CYS  32  10.693   8.363   3.474
  241    HA   CYS  32           HA       CYS  32  11.689  10.987   2.576
  242   1HB   CYS  32           HB2      CYS  32  11.143   8.981   1.044
  243   2HB   CYS  32           HB1      CYS  32   9.452   9.379   1.313
  244    H    GLY  33           HN       GLY  33  10.837  12.775   3.437
  245   1HA   GLY  33           HA2      GLY  33   8.509  12.844   5.052
  246   2HA   GLY  33           HA1      GLY  33   9.298  14.261   4.373
  247    HA   PRO  34           HA       PRO  34   6.276  14.963   1.226
  248   1HB   PRO  34           HB2      PRO  34   7.615  13.372  -0.915
  249   2HB   PRO  34           HB1      PRO  34   7.142  15.078  -0.911
  250   1HG   PRO  34           HG2      PRO  34   9.738  14.249  -0.683
  251   2HG   PRO  34           HG1      PRO  34   9.144  15.771   0.003
  252   1HD   PRO  34           HD2      PRO  34   9.928  13.275   1.400
  253   2HD   PRO  34           HD1      PRO  34   9.800  14.926   2.053
  254    H    ALA  35           HN       ALA  35   7.483  11.628   1.165
  255    HA   ALA  35           HA       ALA  35   4.991  10.515   0.165
  256   1HB   ALA  35           HB1      ALA  35   7.418   9.540   0.031
  257   2HB   ALA  35           HB3      ALA  35   7.058   8.894   1.631
  258   3HB   ALA  35           HB2      ALA  35   6.059   8.441   0.250
  259    H    LYS  36           HN       LYS  36   6.608  10.479   3.355
  260    HA   LYS  36           HA       LYS  36   4.526   9.108   4.726
  261   1HB   LYS  36           HB2      LYS  36   6.831   9.592   5.632
  262   2HB   LYS  36           HB1      LYS  36   6.310  11.257   5.899
  263   1HG   LYS  36           HG2      LYS  36   4.378  10.316   7.258
  264   2HG   LYS  36           HG1      LYS  36   5.184   8.749   7.163
  265   1HD   LYS  36           HD2      LYS  36   7.205   9.727   8.191
  266   2HD   LYS  36           HD1      LYS  36   6.393  11.289   8.299
  267   1HE   LYS  36           HE2      LYS  36   6.237  10.145  10.448
  268   2HE   LYS  36           HE1      LYS  36   4.635  10.234   9.716
  269   1HZ   LYS  36           HZ3      LYS  36   6.188   7.895   9.011
  270   2HZ   LYS  36           HZ2      LYS  36   5.736   7.984  10.645
  271   3HZ   LYS  36           HZ1      LYS  36   4.549   8.021   9.431
  272    H    MET  37           HN       MET  37   4.947  12.507   3.909
  273    HA   MET  37           HA       MET  37   2.883  13.586   5.530
  274   1HB   MET  37           HB2      MET  37   4.580  14.904   4.208
  275   2HB   MET  37           HB1      MET  37   3.668  14.523   2.752
  276   1HG   MET  37           HG2      MET  37   2.341  15.813   5.138
  277   2HG   MET  37           HG1      MET  37   3.164  16.777   3.913
  278   1HE   MET  37           HE2      MET  37   2.829  16.463   1.447
  279   2HE   MET  37           HE1      MET  37   1.195  16.600   0.805
  280   3HE   MET  37           HE3      MET  37   1.794  17.791   1.967
  281    H    ILE  38           HN       ILE  38   2.768  11.755   2.554
  282    HA   ILE  38           HA       ILE  38  -0.042  12.407   2.020
  283    HB   ILE  38           HB       ILE  38   1.800  10.360   0.737
  284   1HG1  ILE  38          HG12      ILE  38   0.909  13.050  -0.322
  285   2HG1  ILE  38          HG11      ILE  38   2.398  12.848   0.604
  286   1HG2  ILE  38          HG21      ILE  38  -1.012  11.282   0.150
  287   2HG2  ILE  38          HG23      ILE  38   0.029  10.727  -1.160
  288   3HG2  ILE  38          HG22      ILE  38  -0.362   9.642   0.168
  289   1HD1  ILE  38          HD13      ILE  38   3.118  11.115  -1.035
  290   2HD1  ILE  38          HD12      ILE  38   1.696  11.486  -2.003
  291   3HD1  ILE  38          HD11      ILE  38   2.937  12.714  -1.741
  292    H    LYS  39           HN       LYS  39   1.373  10.338   4.264
  293    HA   LYS  39           HA       LYS  39  -0.214   8.008   3.827
  294   1HB   LYS  39           HB2      LYS  39   0.489   7.163   5.882
  295   2HB   LYS  39           HB1      LYS  39   1.829   8.166   5.357
  296   1HG   LYS  39           HG2      LYS  39   1.357   9.858   6.947
  297   2HG   LYS  39           HG1      LYS  39  -0.285   9.293   7.226
  298   1HD   LYS  39           HD2      LYS  39   1.057   7.076   8.025
  299   2HD   LYS  39           HD1      LYS  39   2.290   8.288   8.365
  300   1HE   LYS  39           HE2      LYS  39   0.571   9.577   9.664
  301   2HE   LYS  39           HE1      LYS  39  -0.562   8.245   9.402
  302   1HZ   LYS  39           HZ1      LYS  39   1.648   6.993  10.324
  303   2HZ   LYS  39           HZ3      LYS  39   1.668   8.435  11.217
  304   3HZ   LYS  39           HZ2      LYS  39   0.304   7.424  11.269
  305    HA   PRO  40           HA       PRO  40  -3.233  10.039   7.121
  306   1HB   PRO  40           HB2      PRO  40  -3.664  12.565   5.598
  307   2HB   PRO  40           HB1      PRO  40  -3.585  12.308   7.350
  308   1HG   PRO  40           HG2      PRO  40  -1.572  13.503   6.024
  309   2HG   PRO  40           HG1      PRO  40  -1.263  12.424   7.393
  310   1HD   PRO  40           HD2      PRO  40  -0.930  11.900   4.479
  311   2HD   PRO  40           HD1      PRO  40   0.055  11.299   5.828
  312    H    PHE  41           HN       PHE  41  -3.385  10.804   3.615
  313    HA   PHE  41           HA       PHE  41  -6.228  10.312   3.452
  314   1HB   PHE  41           HB2      PHE  41  -4.037  10.158   1.356
  315   2HB   PHE  41           HB1      PHE  41  -5.755  10.011   1.011
  316    HD1  PHE  41           HD2      PHE  41  -3.228  12.292   2.515
  317    HD2  PHE  41           HD1      PHE  41  -7.097  11.913   0.705
  318    HE1  PHE  41           HE2      PHE  41  -3.421  14.764   2.425
  319    HE2  PHE  41           HE1      PHE  41  -7.296  14.383   0.610
  320    HZ   PHE  41           HZ       PHE  41  -5.455  15.810   1.466
  321    H    PHE  42           HN       PHE  42  -3.341   8.344   2.825
  322    HA   PHE  42           HA       PHE  42  -4.704   5.953   2.055
  323   1HB   PHE  42           HB2      PHE  42  -2.318   6.369   1.633
  324   2HB   PHE  42           HB1      PHE  42  -1.991   6.347   3.370
  325    HD1  PHE  42           HD1      PHE  42  -3.188   4.271   0.511
  326    HD2  PHE  42           HD2      PHE  42  -1.728   4.310   4.551
  327    HE1  PHE  42           HE1      PHE  42  -2.960   1.804   0.456
  328    HE2  PHE  42           HE2      PHE  42  -1.499   1.842   4.497
  329    HZ   PHE  42           HZ       PHE  42  -2.115   0.585   2.446
  330    H    HIS  43           HN       HIS  43  -3.366   6.931   5.213
  331    HA   HIS  43           HA       HIS  43  -4.346   4.664   6.679
  332   1HB   HIS  43           HB2      HIS  43  -2.508   6.120   7.481
  333   2HB   HIS  43           HB1      HIS  43  -3.641   7.461   7.634
  334    HD1  HIS  43           HD1      HIS  43  -2.506   4.367   9.318
  335    HD2  HIS  43           HD2      HIS  43  -5.600   7.114   9.715
  336    HE1  HIS  43           HE1      HIS  43  -3.580   3.907  11.571
  337    H    SER  44           HN       SER  44  -5.623   7.940   6.173
  338    HA   SER  44           HA       SER  44  -7.834   7.705   7.939
  339   1HB   SER  44           HB2      SER  44  -7.533   9.386   5.441
  340   2HB   SER  44           HB1      SER  44  -8.831   9.566   6.612
  341    HG   SER  44           HG       SER  44  -7.161  10.981   7.133
  342    H    LEU  45           HN       LEU  45  -7.492   6.878   4.504
  343    HA   LEU  45           HA       LEU  45 -10.218   6.296   3.991
  344   1HB   LEU  45           HB2      LEU  45  -7.693   5.188   2.783
  345   2HB   LEU  45           HB1      LEU  45  -9.283   4.745   2.189
  346    HG   LEU  45           HG       LEU  45  -8.511   7.656   2.455
  347   1HD1  LEU  45          HD13      LEU  45  -7.966   5.806   0.112
  348   2HD1  LEU  45          HD12      LEU  45  -7.849   7.563   0.043
  349   3HD1  LEU  45          HD11      LEU  45  -6.753   6.646   1.078
  350   1HD2  LEU  45          HD22      LEU  45 -10.482   6.104   0.754
  351   2HD2  LEU  45          HD21      LEU  45 -10.860   7.257   2.028
  352   3HD2  LEU  45          HD23      LEU  45 -10.133   7.815   0.525
  353    H    SER  46           HN       SER  46  -7.845   4.493   5.769
  354    HA   SER  46           HA       SER  46  -8.828   1.870   5.510
  355   1HB   SER  46           HB2      SER  46  -7.815   3.230   8.027
  356   2HB   SER  46           HB1      SER  46  -7.937   1.490   7.793
  357    HG   SER  46           HG       SER  46  -6.378   1.585   6.256
  358    H    GLU  47           HN       GLU  47 -10.085   4.576   7.398
  359    HA   GLU  47           HA       GLU  47 -12.235   2.884   8.534
  360   1HB   GLU  47           HB2      GLU  47 -11.538   5.832   8.786
  361   2HB   GLU  47           HB1      GLU  47 -12.957   5.111   9.541
  362   1HG   GLU  47           HG2      GLU  47 -11.240   5.105  11.209
  363   2HG   GLU  47           HG1      GLU  47 -11.372   3.442  10.639
  364    H    LYS  48           HN       LYS  48 -11.655   4.751   5.706
  365    HA   LYS  48           HA       LYS  48 -14.438   5.530   5.252
  366   1HB   LYS  48           HB2      LYS  48 -12.505   6.753   4.209
  367   2HB   LYS  48           HB1      LYS  48 -12.157   5.307   3.265
  368   1HG   LYS  48           HG2      LYS  48 -13.433   6.780   1.863
  369   2HG   LYS  48           HG1      LYS  48 -14.487   5.445   2.314
  370   1HD   LYS  48           HD2      LYS  48 -15.723   6.770   3.834
  371   2HD   LYS  48           HD1      LYS  48 -14.454   7.993   3.936
  372   1HE   LYS  48           HE2      LYS  48 -16.033   7.400   1.421
  373   2HE   LYS  48           HE1      LYS  48 -16.435   8.692   2.555
  374   1HZ   LYS  48           HZ1      LYS  48 -13.882   9.212   2.192
  375   2HZ   LYS  48           HZ3      LYS  48 -14.196   8.475   0.697
  376   3HZ   LYS  48           HZ2      LYS  48 -15.085   9.842   1.170
  377    H    TYR  49           HN       TYR  49 -12.229   2.979   4.253
  378    HA   TYR  49           HA       TYR  49 -14.590   1.374   3.288
  379   1HB   TYR  49           HB2      TYR  49 -11.742   1.339   2.203
  380   2HB   TYR  49           HB1      TYR  49 -13.041   0.258   1.698
  381    HD1  TYR  49           HD2      TYR  49 -15.103   1.210   0.632
  382    HD2  TYR  49           HD1      TYR  49 -11.575   3.559   1.328
  383    HE1  TYR  49           HE2      TYR  49 -15.918   2.906  -0.980
  384    HE2  TYR  49           HE1      TYR  49 -12.389   5.254  -0.289
  385    HH   TYR  49           HH       TYR  49 -14.322   4.895  -2.508
  386    H    SER  50           HN       SER  50 -14.438   0.961   5.704
  387    HA   SER  50           HA       SER  50 -12.245  -0.475   6.817
  388   1HB   SER  50           HB2      SER  50 -13.741  -0.989   8.627
  389   2HB   SER  50           HB1      SER  50 -14.136   0.628   8.077
  390    HG   SER  50           HG       SER  50 -16.066  -0.128   7.788
  391    H    ASN  51           HN       ASN  51 -14.428  -1.325   4.410
  392    HA   ASN  51           HA       ASN  51 -14.401  -4.218   5.017
  393   1HB   ASN  51           HB2      ASN  51 -16.377  -2.929   3.952
  394   2HB   ASN  51           HB1      ASN  51 -15.414  -2.930   2.475
  395   1HD2  ASN  51          HD22      ASN  51 -16.190  -6.276   1.711
  396   2HD2  ASN  51          HD21      ASN  51 -15.510  -4.806   1.202
  397    H    VAL  52           HN       VAL  52 -12.171  -2.172   4.027
  398    HA   VAL  52           HA       VAL  52 -10.928  -4.096   2.107
  399    HB   VAL  52           HB       VAL  52 -10.876  -1.062   2.070
  400   1HG1  VAL  52          HG13      VAL  52  -9.025  -3.101   0.868
  401   2HG1  VAL  52          HG12      VAL  52  -9.406  -1.660  -0.076
  402   3HG1  VAL  52          HG11      VAL  52  -8.663  -1.506   1.513
  403   1HG2  VAL  52          HG21      VAL  52 -11.779  -3.167   0.076
  404   2HG2  VAL  52          HG23      VAL  52 -12.815  -2.045   0.959
  405   3HG2  VAL  52          HG22      VAL  52 -11.700  -1.439  -0.265
  406    H    ILE  53           HN       ILE  53  -8.748  -4.547   2.536
  407    HA   ILE  53           HA       ILE  53  -7.780  -3.603   5.202
  408    HB   ILE  53           HB       ILE  53  -6.612  -5.745   3.406
  409   1HG1  ILE  53          HG12      ILE  53  -8.917  -6.360   3.867
  410   2HG1  ILE  53          HG11      ILE  53  -7.862  -7.350   4.869
  411   1HG2  ILE  53          HG22      ILE  53  -5.322  -4.679   5.417
  412   2HG2  ILE  53          HG21      ILE  53  -6.422  -5.620   6.412
  413   3HG2  ILE  53          HG23      ILE  53  -5.362  -6.431   5.263
  414   1HD1  ILE  53          HD13      ILE  53  -8.222  -5.544   6.691
  415   2HD1  ILE  53          HD12      ILE  53  -9.574  -5.009   5.696
  416   3HD1  ILE  53          HD11      ILE  53  -9.556  -6.646   6.353
  417    H    PHE  54           HN       PHE  54  -6.324  -1.956   5.243
  418    HA   PHE  54           HA       PHE  54  -4.728  -1.351   2.778
  419   1HB   PHE  54           HB2      PHE  54  -5.300   0.289   5.269
  420   2HB   PHE  54           HB1      PHE  54  -4.238   0.816   3.967
  421    HD1  PHE  54           HD1      PHE  54  -7.720  -0.366   4.641
  422    HD2  PHE  54           HD2      PHE  54  -5.139   1.920   2.081
  423    HE1  PHE  54           HE1      PHE  54  -9.693   0.468   3.391
  424    HE2  PHE  54           HE2      PHE  54  -7.112   2.748   0.825
  425    HZ   PHE  54           HZ       PHE  54  -9.387   2.019   1.483
  426    H    LEU  55           HN       LEU  55  -2.581  -1.922   2.778
  427    HA   LEU  55           HA       LEU  55  -1.248  -2.497   5.403
  428   1HB   LEU  55           HB2      LEU  55  -0.775  -3.659   2.650
  429   2HB   LEU  55           HB1      LEU  55   0.456  -3.758   3.911
  430    HG   LEU  55           HG       LEU  55  -0.977  -5.052   5.322
  431   1HD1  LEU  55          HD12      LEU  55  -3.147  -4.231   3.406
  432   2HD1  LEU  55          HD11      LEU  55  -3.321  -5.666   4.418
  433   3HD1  LEU  55          HD13      LEU  55  -3.096  -4.090   5.167
  434   1HD2  LEU  55          HD21      LEU  55  -1.242  -5.967   2.446
  435   2HD2  LEU  55          HD23      LEU  55   0.090  -6.332   3.543
  436   3HD2  LEU  55          HD22      LEU  55  -1.513  -6.990   3.855
  437    H    GLU  56           HN       GLU  56   0.736  -1.629   5.831
  438    HA   GLU  56           HA       GLU  56   1.709   0.510   3.967
  439   1HB   GLU  56           HB2      GLU  56   0.898   1.275   6.240
  440   2HB   GLU  56           HB1      GLU  56   2.185   0.304   6.957
  441   1HG   GLU  56           HG2      GLU  56   3.845   1.571   5.572
  442   2HG   GLU  56           HG1      GLU  56   2.531   2.615   5.023
  443    H    VAL  57           HN       VAL  57   3.745   0.196   3.182
  444    HA   VAL  57           HA       VAL  57   5.457  -1.912   4.471
  445    HB   VAL  57           HB       VAL  57   4.987  -1.405   1.522
  446   1HG1  VAL  57          HG13      VAL  57   6.955  -3.150   3.012
  447   2HG1  VAL  57          HG12      VAL  57   6.497  -3.461   1.341
  448   3HG1  VAL  57          HG11      VAL  57   7.296  -1.949   1.765
  449   1HG2  VAL  57          HG21      VAL  57   3.232  -2.700   2.779
  450   2HG2  VAL  57          HG23      VAL  57   4.042  -3.642   1.527
  451   3HG2  VAL  57          HG22      VAL  57   4.478  -3.866   3.221
  452    H    ASP  58           HN       ASP  58   7.503  -1.249   4.873
  453    HA   ASP  58           HA       ASP  58   8.348   1.465   3.986
  454   1HB   ASP  58           HB2      ASP  58   8.485   0.648   6.404
  455   2HB   ASP  58           HB1      ASP  58   9.749  -0.454   5.850
  456    H    VAL  59           HN       VAL  59   9.623   1.562   2.153
  457    HA   VAL  59           HA       VAL  59  10.740  -0.819   0.953
  458    HB   VAL  59           HB       VAL  59  11.990   0.774  -0.492
  459   1HG1  VAL  59          HG12      VAL  59   9.133   1.570   0.095
  460   2HG1  VAL  59          HG11      VAL  59  10.010   1.994  -1.375
  461   3HG1  VAL  59          HG13      VAL  59   9.649   0.306  -1.015
  462   1HG2  VAL  59          HG22      VAL  59  10.995   2.774   1.548
  463   2HG2  VAL  59          HG21      VAL  59  12.658   2.478   1.045
  464   3HG2  VAL  59          HG23      VAL  59  11.525   3.250  -0.064
  465    H    ASP  60           HN       ASP  60  11.748   1.293   3.509
  466    HA   ASP  60           HA       ASP  60  14.582   0.464   3.306
  467   1HB   ASP  60           HB2      ASP  60  13.054   2.442   4.975
  468   2HB   ASP  60           HB1      ASP  60  14.674   1.960   5.440
  469    H    ASP  61           HN       ASP  61  11.867  -0.003   5.632
  470    HA   ASP  61           HA       ASP  61  13.639  -1.829   7.203
  471   1HB   ASP  61           HB2      ASP  61  10.810  -0.874   7.766
  472   2HB   ASP  61           HB1      ASP  61  11.784  -1.874   8.836
  473    H    ALA  62           HN       ALA  62  11.193  -1.876   4.811
  474    HA   ALA  62           HA       ALA  62  10.946  -4.848   5.096
  475   1HB   ALA  62           HB3      ALA  62   8.849  -2.792   4.372
  476   2HB   ALA  62           HB2      ALA  62   8.687  -4.478   3.894
  477   3HB   ALA  62           HB1      ALA  62   8.769  -4.051   5.602
  478    H    GLN  63           HN       GLN  63  12.976  -3.519   3.708
  479    HA   GLN  63           HA       GLN  63  12.478  -3.044   0.956
  480   1HB   GLN  63           HB2      GLN  63  14.867  -3.277   0.651
  481   2HB   GLN  63           HB1      GLN  63  14.601  -2.501   2.214
  482   1HG   GLN  63           HG2      GLN  63  14.726  -4.815   3.254
  483   2HG   GLN  63           HG1      GLN  63  15.299  -5.396   1.691
  484   1HE2  GLN  63          HE22      GLN  63  17.901  -3.613   4.157
  485   2HE2  GLN  63          HE21      GLN  63  16.351  -4.108   4.641
  486    H    ASP  64           HN       ASP  64  12.539  -6.007   2.743
  487    HA   ASP  64           HA       ASP  64  13.297  -7.808   0.667
  488   1HB   ASP  64           HB2      ASP  64  11.916  -9.482   1.988
  489   2HB   ASP  64           HB1      ASP  64  13.143  -8.638   2.926
  490    H    VAL  65           HN       VAL  65  10.178  -6.366   1.550
  491    HA   VAL  65           HA       VAL  65   8.675  -7.850  -0.434
  492    HB   VAL  65           HB       VAL  65   7.970  -5.177   0.813
  493   1HG1  VAL  65          HG13      VAL  65   6.616  -6.118  -1.151
  494   2HG1  VAL  65          HG12      VAL  65   6.147  -7.427  -0.070
  495   3HG1  VAL  65          HG11      VAL  65   5.706  -5.765   0.318
  496   1HG2  VAL  65          HG23      VAL  65   7.893  -7.975   1.922
  497   2HG2  VAL  65          HG22      VAL  65   8.345  -6.473   2.723
  498   3HG2  VAL  65          HG21      VAL  65   6.650  -6.827   2.407
  499    H    ALA  66           HN       ALA  66  10.042  -4.565  -0.284
  500    HA   ALA  66           HA       ALA  66   9.052  -3.784  -2.849
  501   1HB   ALA  66           HB2      ALA  66  10.041  -2.380  -0.838
  502   2HB   ALA  66           HB1      ALA  66  11.553  -2.564  -1.728
  503   3HB   ALA  66           HB3      ALA  66  10.163  -1.788  -2.494
  504    H    SER  67           HN       SER  67  12.162  -5.190  -1.819
  505    HA   SER  67           HA       SER  67  13.483  -4.948  -4.333
  506   1HB   SER  67           HB2      SER  67  14.965  -6.711  -3.534
  507   2HB   SER  67           HB1      SER  67  14.592  -5.632  -2.193
  508    HG   SER  67           HG       SER  67  13.984  -7.417  -1.256
  509    H    GLU  68           HN       GLU  68  11.299  -7.426  -3.064
  510    HA   GLU  68           HA       GLU  68  11.537  -9.273  -5.234
  511   1HB   GLU  68           HB2      GLU  68  10.459  -9.782  -3.045
  512   2HB   GLU  68           HB1      GLU  68   9.120  -8.723  -3.481
  513   1HG   GLU  68           HG2      GLU  68   8.702 -10.151  -5.494
  514   2HG   GLU  68           HG1      GLU  68   9.973 -11.244  -4.939
  515    H    ALA  69           HN       ALA  69   9.446  -6.457  -4.726
  516    HA   ALA  69           HA       ALA  69   8.043  -6.909  -7.261
  517   1HB   ALA  69           HB1      ALA  69   6.977  -5.980  -5.157
  518   2HB   ALA  69           HB3      ALA  69   7.882  -4.495  -5.455
  519   3HB   ALA  69           HB2      ALA  69   6.684  -5.045  -6.624
  520    H    GLU  70           HN       GLU  70  11.015  -5.594  -6.523
  521    HA   GLU  70           HA       GLU  70  12.466  -4.168  -7.689
  522   1HB   GLU  70           HB2      GLU  70  10.550  -4.720  -9.975
  523   2HB   GLU  70           HB1      GLU  70  12.149  -4.001 -10.128
  524   1HG   GLU  70           HG2      GLU  70  11.630  -6.734  -8.948
  525   2HG   GLU  70           HG1      GLU  70  12.110  -6.445 -10.619
  526    H    VAL  71           HN       VAL  71  10.692  -2.741  -6.130
  527    HA   VAL  71           HA       VAL  71   9.103  -0.857  -7.583
  528    HB   VAL  71           HB       VAL  71  10.569  -0.361  -4.966
  529   1HG1  VAL  71          HG13      VAL  71   8.151   0.867  -6.321
  530   2HG1  VAL  71          HG12      VAL  71   8.514   1.112  -4.614
  531   3HG1  VAL  71          HG11      VAL  71   9.648   1.667  -5.850
  532   1HG2  VAL  71          HG23      VAL  71   7.918  -1.726  -5.564
  533   2HG2  VAL  71          HG22      VAL  71   9.300  -2.400  -4.707
  534   3HG2  VAL  71          HG21      VAL  71   8.345  -1.119  -3.964
  535    H    LYS  72           HN       LYS  72   9.712   0.917  -8.742
  536    HA   LYS  72           HA       LYS  72  12.618   1.561  -8.841
  537   1HB   LYS  72           HB2      LYS  72  10.396   2.166 -10.805
  538   2HB   LYS  72           HB1      LYS  72  12.101   2.548 -11.041
  539   1HG   LYS  72           HG2      LYS  72  11.220  -0.296 -10.466
  540   2HG   LYS  72           HG1      LYS  72  11.179   0.348 -12.105
  541   1HD   LYS  72           HD2      LYS  72  13.617   0.983 -11.822
  542   2HD   LYS  72           HD1      LYS  72  13.601   0.083 -10.304
  543   1HE   LYS  72           HE2      LYS  72  12.913  -1.949 -11.495
  544   2HE   LYS  72           HE1      LYS  72  12.891  -1.060 -13.017
  545   1HZ   LYS  72           HZ3      LYS  72  15.332  -0.995 -11.401
  546   2HZ   LYS  72           HZ2      LYS  72  14.990  -2.410 -12.279
  547   3HZ   LYS  72           HZ1      LYS  72  15.150  -0.921 -13.084
  548    H    ALA  73           HN       ALA  73   9.655   2.794  -7.670
  549    HA   ALA  73           HA       ALA  73  10.984   5.246  -6.845
  550   1HB   ALA  73           HB2      ALA  73  10.175   5.543  -9.310
  551   2HB   ALA  73           HB1      ALA  73   8.576   5.711  -8.585
  552   3HB   ALA  73           HB3      ALA  73   9.869   6.829  -8.146
  553    H    THR  74           HN       THR  74   9.687   6.519  -5.363
  554    HA   THR  74           HA       THR  74   7.215   5.146  -4.358
  555    HB   THR  74           HB       THR  74   7.957   5.587  -2.083
  556    HG1  THR  74           HG1      THR  74   9.290   7.507  -3.311
  557   1HG2  THR  74          HG22      THR  74   9.030   3.663  -3.316
  558   2HG2  THR  74          HG21      THR  74  10.415   4.718  -3.589
  559   3HG2  THR  74          HG23      THR  74   9.954   4.282  -1.945
  560    HA   PRO  75           HA       PRO  75   5.808   5.800  -2.530
  561   1HB   PRO  75           HB2      PRO  75   3.212   6.756  -2.626
  562   2HB   PRO  75           HB1      PRO  75   4.415   7.249  -1.427
  563   1HG   PRO  75           HG2      PRO  75   3.421   8.734  -3.811
  564   2HG   PRO  75           HG1      PRO  75   4.021   9.356  -2.268
  565   1HD   PRO  75           HD2      PRO  75   5.479   9.315  -4.672
  566   2HD   PRO  75           HD1      PRO  75   6.188   9.501  -3.046
  567    H    THR  76           HN       THR  76   4.855   3.913  -3.202
  568    HA   THR  76           HA       THR  76   3.472   3.885  -5.859
  569    HB   THR  76           HB       THR  76   5.409   1.795  -4.836
  570    HG1  THR  76           HG1      THR  76   6.553   2.497  -6.743
  571   1HG2  THR  76          HG23      THR  76   3.644   1.963  -7.281
  572   2HG2  THR  76          HG22      THR  76   5.061   0.916  -7.215
  573   3HG2  THR  76          HG21      THR  76   3.732   0.666  -6.087
  574    H    PHE  77           HN       PHE  77   1.579   2.849  -5.821
  575    HA   PHE  77           HA       PHE  77   0.793   1.414  -3.305
  576   1HB   PHE  77           HB2      PHE  77  -0.916   2.802  -5.400
  577   2HB   PHE  77           HB1      PHE  77  -1.506   2.044  -3.921
  578    HD1  PHE  77           HD1      PHE  77  -0.923   2.999  -1.692
  579    HD2  PHE  77           HD2      PHE  77   0.176   4.951  -5.361
  580    HE1  PHE  77           HE1      PHE  77  -0.501   5.104  -0.447
  581    HE2  PHE  77           HE2      PHE  77   0.605   7.056  -4.116
  582    HZ   PHE  77           HZ       PHE  77   0.267   7.133  -1.656
  583    H    GLN  78           HN       GLN  78   0.266  -0.756  -3.514
  584    HA   GLN  78           HA       GLN  78  -0.198  -1.814  -6.282
  585   1HB   GLN  78           HB2      GLN  78   1.348  -3.059  -4.007
  586   2HB   GLN  78           HB1      GLN  78   0.838  -3.954  -5.437
  587   1HG   GLN  78           HG2      GLN  78   2.040  -2.261  -6.843
  588   2HG   GLN  78           HG1      GLN  78   2.658  -1.529  -5.367
  589   1HE2  GLN  78          HE22      GLN  78   5.351  -3.818  -6.292
  590   2HE2  GLN  78          HE21      GLN  78   4.754  -2.284  -6.711
  591    H    PHE  79           HN       PHE  79  -1.878  -3.182  -6.528
  592    HA   PHE  79           HA       PHE  79  -3.657  -3.570  -4.143
  593   1HB   PHE  79           HB2      PHE  79  -4.277  -3.536  -7.108
  594   2HB   PHE  79           HB1      PHE  79  -5.456  -3.847  -5.828
  595    HD1  PHE  79           HD2      PHE  79  -3.053  -1.347  -7.151
  596    HD2  PHE  79           HD1      PHE  79  -6.354  -2.076  -4.514
  597    HE1  PHE  79           HE2      PHE  79  -3.270   1.085  -6.755
  598    HE2  PHE  79           HE1      PHE  79  -6.575   0.360  -4.112
  599    HZ   PHE  79           HZ       PHE  79  -5.037   1.940  -5.237
  600    H    PHE  80           HN       PHE  80  -4.199  -5.564  -3.511
  601    HA   PHE  80           HA       PHE  80  -3.438  -7.876  -5.231
  602   1HB   PHE  80           HB2      PHE  80  -3.057  -7.517  -2.262
  603   2HB   PHE  80           HB1      PHE  80  -2.945  -9.081  -3.070
  604    HD1  PHE  80           HD2      PHE  80  -1.389  -5.715  -2.741
  605    HD2  PHE  80           HD1      PHE  80  -1.095  -9.629  -4.514
  606    HE1  PHE  80           HE2      PHE  80   0.965  -5.271  -3.358
  607    HE2  PHE  80           HE1      PHE  80   1.261  -9.172  -5.125
  608    HZ   PHE  80           HZ       PHE  80   2.290  -6.997  -4.547
  609    H    LYS  81           HN       LYS  81  -4.817  -9.668  -5.134
  610    HA   LYS  81           HA       LYS  81  -7.266  -9.451  -3.465
  611   1HB   LYS  81           HB2      LYS  81  -7.570  -8.291  -5.751
  612   2HB   LYS  81           HB1      LYS  81  -7.395  -9.889  -6.463
  613   1HG   LYS  81           HG2      LYS  81  -9.739  -9.530  -6.241
  614   2HG   LYS  81           HG1      LYS  81  -9.295 -10.644  -4.960
  615   1HD   LYS  81           HD2      LYS  81  -9.516  -9.028  -3.273
  616   2HD   LYS  81           HD1      LYS  81  -9.328  -7.682  -4.397
  617   1HE   LYS  81           HE2      LYS  81 -11.663  -7.847  -3.710
  618   2HE   LYS  81           HE1      LYS  81 -11.530  -8.283  -5.413
  619   1HZ   LYS  81           HZ1      LYS  81 -11.419 -10.314  -3.267
  620   2HZ   LYS  81           HZ3      LYS  81 -12.893  -9.800  -3.935
  621   3HZ   LYS  81           HZ2      LYS  81 -11.725 -10.540  -4.921
  622    H    LYS  82           HN       LYS  82  -7.609 -11.495  -2.643
  623    HA   LYS  82           HA       LYS  82  -7.309 -13.806  -2.333
  624   1HB   LYS  82           HB2      LYS  82  -7.352 -13.808  -5.376
  625   2HB   LYS  82           HB1      LYS  82  -7.557 -15.222  -4.343
  626   1HG   LYS  82           HG2      LYS  82  -9.516 -13.873  -3.273
  627   2HG   LYS  82           HG1      LYS  82  -9.421 -12.888  -4.724
  628   1HD   LYS  82           HD2      LYS  82  -9.646 -14.978  -6.092
  629   2HD   LYS  82           HD1      LYS  82  -9.932 -15.864  -4.593
  630   1HE   LYS  82           HE2      LYS  82 -12.079 -15.260  -5.597
  631   2HE   LYS  82           HE1      LYS  82 -11.852 -14.348  -4.106
  632   1HZ   LYS  82           HZ2      LYS  82 -10.689 -12.868  -6.140
  633   2HZ   LYS  82           HZ1      LYS  82 -12.201 -13.382  -6.726
  634   3HZ   LYS  82           HZ3      LYS  82 -12.108 -12.511  -5.276
  635    H    GLY  83           HN       GLY  83  -4.959 -12.095  -2.462
  636   1HA   GLY  83           HA2      GLY  83  -2.646 -12.461  -2.321
  637   2HA   GLY  83           HA1      GLY  83  -2.946 -14.158  -2.694
  638    H    GLN  84           HN       GLN  84  -4.250 -11.800  -4.883
  639    HA   GLN  84           HA       GLN  84  -2.021 -12.352  -6.796
  640   1HB   GLN  84           HB2      GLN  84  -4.998 -12.266  -7.337
  641   2HB   GLN  84           HB1      GLN  84  -3.783 -12.251  -8.606
  642   1HG   GLN  84           HG2      GLN  84  -3.914 -14.412  -6.491
  643   2HG   GLN  84           HG1      GLN  84  -4.741 -14.539  -8.046
  644   1HE2  GLN  84          HE22      GLN  84  -0.967 -13.945  -9.122
  645   2HE2  GLN  84          HE21      GLN  84  -2.042 -12.712  -8.653
  646    H    LYS  85           HN       LYS  85  -1.151 -10.586  -7.802
  647    HA   LYS  85           HA       LYS  85  -2.076  -7.927  -7.011
  648   1HB   LYS  85           HB2      LYS  85   0.316  -8.507  -7.285
  649   2HB   LYS  85           HB1      LYS  85   0.049  -8.709  -9.017
  650   1HG   LYS  85           HG2      LYS  85  -0.761  -6.347  -9.125
  651   2HG   LYS  85           HG1      LYS  85  -0.363  -6.160  -7.420
  652   1HD   LYS  85           HD2      LYS  85   1.660  -7.035  -9.490
  653   2HD   LYS  85           HD1      LYS  85   1.405  -5.346  -9.063
  654   1HE   LYS  85           HE2      LYS  85   1.821  -6.057  -6.634
  655   2HE   LYS  85           HE1      LYS  85   2.416  -7.581  -7.294
  656   1HZ   LYS  85           HZ3      LYS  85   3.480  -5.240  -8.585
  657   2HZ   LYS  85           HZ2      LYS  85   3.902  -5.369  -6.945
  658   3HZ   LYS  85           HZ1      LYS  85   4.276  -6.629  -8.025
  659    H    VAL  86           HN       VAL  86  -3.599  -6.775  -8.075
  660    HA   VAL  86           HA       VAL  86  -4.117  -7.378 -10.968
  661    HB   VAL  86           HB       VAL  86  -6.498  -6.732 -10.471
  662   1HG1  VAL  86          HG13      VAL  86  -5.607  -9.122 -10.520
  663   2HG1  VAL  86          HG12      VAL  86  -5.565  -9.046  -8.760
  664   3HG1  VAL  86          HG11      VAL  86  -7.100  -8.882  -9.613
  665   1HG2  VAL  86          HG21      VAL  86  -5.890  -5.487  -8.353
  666   2HG2  VAL  86          HG23      VAL  86  -7.231  -6.619  -8.166
  667   3HG2  VAL  86          HG22      VAL  86  -5.625  -7.051  -7.586
  668    H    GLY  87           HN       GLY  87  -2.678  -5.096  -9.169
  669   1HA   GLY  87           HA2      GLY  87  -3.086  -3.036 -11.120
  670   2HA   GLY  87           HA1      GLY  87  -4.095  -2.694  -9.722
  671    H    GLU  88           HN       GLU  88  -1.817  -1.188 -10.752
  672    HA   GLU  88           HA       GLU  88  -0.470  -0.704  -8.245
  673   1HB   GLU  88           HB2      GLU  88   0.902  -2.572  -8.854
  674   2HB   GLU  88           HB1      GLU  88   1.060  -1.999 -10.505
  675   1HG   GLU  88           HG2      GLU  88   2.028  -0.321  -8.187
  676   2HG   GLU  88           HG1      GLU  88   3.039  -1.602  -8.852
  677    H    PHE  89           HN       PHE  89   0.593   1.333  -8.275
  678    HA   PHE  89           HA       PHE  89   1.105   2.700 -10.778
  679   1HB   PHE  89           HB2      PHE  89  -0.579   4.356 -10.787
  680   2HB   PHE  89           HB1      PHE  89  -1.426   2.837 -10.550
  681    HD1  PHE  89           HD1      PHE  89  -0.061   5.808  -8.764
  682    HD2  PHE  89           HD2      PHE  89  -2.781   2.489  -8.621
  683    HE1  PHE  89           HE1      PHE  89  -1.110   6.753  -6.716
  684    HE2  PHE  89           HE2      PHE  89  -3.820   3.428  -6.573
  685    HZ   PHE  89           HZ       PHE  89  -2.994   5.565  -5.633
  686    H    SER  90           HN       SER  90   2.019   4.866 -10.448
  687    HA   SER  90           HA       SER  90   2.992   5.292  -7.634
  688   1HB   SER  90           HB2      SER  90   5.126   6.063  -8.584
  689   2HB   SER  90           HB1      SER  90   4.810   4.388  -9.047
  690    HG   SER  90           HG       SER  90   4.805   6.730 -10.559
  691    H    GLY  91           HN       GLY  91   3.593   7.497  -7.169
  692   1HA   GLY  91           HA2      GLY  91   3.652   9.849  -8.084
  693   2HA   GLY  91           HA1      GLY  91   2.102   9.501  -8.841
  694    H    ALA  92           HN       ALA  92   2.928  11.471  -6.677
  695    HA   ALA  92           HA       ALA  92   1.596  10.544  -4.259
  696   1HB   ALA  92           HB2      ALA  92   2.609  13.207  -5.237
  697   2HB   ALA  92           HB1      ALA  92   1.745  13.062  -3.710
  698   3HB   ALA  92           HB3      ALA  92   3.265  12.199  -3.955
  699    H    ASN  93           HN       ASN  93  -0.357   9.889  -5.766
  700    HA   ASN  93           HA       ASN  93  -2.301  12.178  -5.867
  701   1HB   ASN  93           HB2      ASN  93  -1.632  11.149  -8.108
  702   2HB   ASN  93           HB1      ASN  93  -2.410   9.667  -7.555
  703   1HD2  ASN  93          HD22      ASN  93  -5.318  12.389  -7.295
  704   2HD2  ASN  93          HD21      ASN  93  -4.079  12.220  -6.150
  705    H    LYS  94           HN       LYS  94  -3.054  11.788  -3.757
  706    HA   LYS  94           HA       LYS  94  -3.735   9.192  -2.724
  707   1HB   LYS  94           HB2      LYS  94  -5.001  10.541  -1.038
  708   2HB   LYS  94           HB1      LYS  94  -3.317  11.012  -1.216
  709   1HG   LYS  94           HG2      LYS  94  -4.993  12.512  -3.088
  710   2HG   LYS  94           HG1      LYS  94  -5.611  12.692  -1.452
  711   1HD   LYS  94           HD2      LYS  94  -3.246  13.286  -0.741
  712   2HD   LYS  94           HD1      LYS  94  -2.824  13.327  -2.457
  713   1HE   LYS  94           HE2      LYS  94  -5.072  14.943  -1.219
  714   2HE   LYS  94           HE1      LYS  94  -3.451  15.575  -1.525
  715   1HZ   LYS  94           HZ1      LYS  94  -4.066  14.462  -3.881
  716   2HZ   LYS  94           HZ3      LYS  94  -5.592  15.008  -3.378
  717   3HZ   LYS  94           HZ2      LYS  94  -4.301  16.105  -3.508
  718    H    GLU  95           HN       GLU  95  -5.593  11.598  -4.550
  719    HA   GLU  95           HA       GLU  95  -8.197  10.520  -4.070
  720   1HB   GLU  95           HB2      GLU  95  -7.106  11.958  -6.506
  721   2HB   GLU  95           HB1      GLU  95  -8.812  11.727  -6.134
  722   1HG   GLU  95           HG2      GLU  95  -6.861  13.165  -4.320
  723   2HG   GLU  95           HG1      GLU  95  -7.952  13.975  -5.443
  724    H    LYS  96           HN       LYS  96  -5.631   9.674  -6.255
  725    HA   LYS  96           HA       LYS  96  -7.039   8.056  -8.104
  726   1HB   LYS  96           HB2      LYS  96  -4.657   8.884  -8.191
  727   2HB   LYS  96           HB1      LYS  96  -4.234   7.610  -7.067
  728   1HG   LYS  96           HG2      LYS  96  -4.751   5.903  -8.613
  729   2HG   LYS  96           HG1      LYS  96  -5.656   7.002  -9.658
  730   1HD   LYS  96           HD2      LYS  96  -3.539   8.233 -10.148
  731   2HD   LYS  96           HD1      LYS  96  -2.656   7.059  -9.173
  732   1HE   LYS  96           HE2      LYS  96  -3.466   5.241 -10.669
  733   2HE   LYS  96           HE1      LYS  96  -4.279   6.449 -11.663
  734   1HZ   LYS  96           HZ1      LYS  96  -1.389   6.639 -11.084
  735   2HZ   LYS  96           HZ3      LYS  96  -1.964   5.685 -12.363
  736   3HZ   LYS  96           HZ2      LYS  96  -2.271   7.356 -12.348
  737    H    LEU  97           HN       LEU  97  -5.754   7.370  -4.888
  738    HA   LEU  97           HA       LEU  97  -6.053   4.536  -4.882
  739   1HB   LEU  97           HB2      LEU  97  -6.285   6.628  -2.705
  740   2HB   LEU  97           HB1      LEU  97  -6.438   4.917  -2.361
  741    HG   LEU  97           HG       LEU  97  -4.035   6.165  -3.704
  742   1HD1  LEU  97          HD11      LEU  97  -4.644   5.568  -0.809
  743   2HD1  LEU  97          HD13      LEU  97  -2.986   5.651  -1.403
  744   3HD1  LEU  97          HD12      LEU  97  -4.035   7.064  -1.515
  745   1HD2  LEU  97          HD22      LEU  97  -4.775   3.382  -2.807
  746   2HD2  LEU  97          HD21      LEU  97  -3.919   3.892  -4.260
  747   3HD2  LEU  97          HD23      LEU  97  -3.094   3.879  -2.710
  748    H    GLU  98           HN       GLU  98  -8.270   7.178  -4.235
  749    HA   GLU  98           HA       GLU  98 -10.462   5.646  -3.239
  750   1HB   GLU  98           HB2      GLU  98 -10.287   8.130  -3.117
  751   2HB   GLU  98           HB1      GLU  98 -10.574   8.210  -4.852
  752   1HG   GLU  98           HG2      GLU  98 -12.768   7.063  -4.514
  753   2HG   GLU  98           HG1      GLU  98 -12.484   7.101  -2.772
  754    H    ALA  99           HN       ALA  99  -9.677   6.621  -6.575
  755    HA   ALA  99           HA       ALA  99 -12.052   5.439  -7.693
  756   1HB   ALA  99           HB3      ALA  99  -9.408   6.209  -8.951
  757   2HB   ALA  99           HB2      ALA  99 -10.811   5.673  -9.873
  758   3HB   ALA  99           HB1      ALA  99 -10.893   7.159  -8.923
  759    H    THR 100           HN       THR 100  -8.701   4.213  -7.413
  760    HA   THR 100           HA       THR 100  -9.213   1.819  -8.876
  761    HB   THR 100           HB       THR 100  -7.219   2.157  -6.622
  762    HG1  THR 100           HG1      THR 100  -5.842   2.869  -8.272
  763   1HG2  THR 100          HG21      THR 100  -7.469   0.301  -8.997
  764   2HG2  THR 100          HG23      THR 100  -5.954   0.529  -8.125
  765   3HG2  THR 100          HG22      THR 100  -7.363  -0.128  -7.289
  766    H    ILE 101           HN       ILE 101  -9.520   2.557  -5.414
  767    HA   ILE 101           HA       ILE 101 -10.123  -0.113  -4.525
  768    HB   ILE 101           HB       ILE 101 -10.977   2.606  -3.474
  769   1HG1  ILE 101          HG12      ILE 101  -9.033   0.656  -2.220
  770   2HG1  ILE 101          HG11      ILE 101  -8.498   1.786  -3.462
  771   1HG2  ILE 101          HG22      ILE 101 -11.427  -0.176  -2.376
  772   2HG2  ILE 101          HG21      ILE 101 -11.460   1.255  -1.346
  773   3HG2  ILE 101          HG23      ILE 101 -12.626   1.085  -2.660
  774   1HD1  ILE 101          HD11      ILE 101  -9.469   3.658  -2.064
  775   2HD1  ILE 101          HD13      ILE 101  -9.756   2.473  -0.790
  776   3HD1  ILE 101          HD12      ILE 101  -8.110   2.821  -1.315
  777    H    ASN 102           HN       ASN 102 -12.230   2.593  -5.520
  778    HA   ASN 102           HA       ASN 102 -14.697   1.176  -5.317
  779   1HB   ASN 102           HB2      ASN 102 -14.504   3.652  -5.654
  780   2HB   ASN 102           HB1      ASN 102 -13.974   3.351  -7.312
  781   1HD2  ASN 102          HD22      ASN 102 -17.890   3.401  -6.544
  782   2HD2  ASN 102          HD21      ASN 102 -16.712   4.006  -5.480
  783    H    GLU 103           HN       GLU 103 -12.259   1.367  -7.828
  784    HA   GLU 103           HA       GLU 103 -13.770   0.089  -9.894
  785   1HB   GLU 103           HB2      GLU 103 -11.603   1.419 -10.119
  786   2HB   GLU 103           HB1      GLU 103 -10.772  -0.016  -9.526
  787   1HG   GLU 103           HG2      GLU 103 -10.714  -0.149 -11.925
  788   2HG   GLU 103           HG1      GLU 103 -11.898  -1.334 -11.372
  789    H    LEU 104           HN       LEU 104 -11.559  -1.193  -7.415
  790    HA   LEU 104           HA       LEU 104 -12.088  -3.963  -8.381
  791   1HB   LEU 104           HB2      LEU 104 -10.128  -2.920  -6.325
  792   2HB   LEU 104           HB1      LEU 104 -10.226  -4.584  -6.889
  793    HG   LEU 104           HG       LEU 104  -9.649  -2.183  -8.653
  794   1HD1  LEU 104          HD11      LEU 104  -7.825  -2.690  -7.048
  795   2HD1  LEU 104          HD13      LEU 104  -7.793  -4.351  -7.640
  796   3HD1  LEU 104          HD12      LEU 104  -7.351  -3.026  -8.714
  797   1HD2  LEU 104          HD21      LEU 104  -9.908  -5.154  -9.151
  798   2HD2  LEU 104          HD23      LEU 104 -10.574  -3.815 -10.089
  799   3HD2  LEU 104          HD22      LEU 104  -8.854  -4.179 -10.177
  800    H    VAL 105           HN       VAL 105 -13.534  -1.894  -6.203
  801    HA   VAL 105           HA       VAL 105 -13.783  -3.588  -3.890
  802    HB   VAL 105           HB       VAL 105 -14.367  -1.107  -4.015
  803   1HG1  VAL 105          HG13      VAL 105 -15.870  -1.575  -6.104
  804   2HG1  VAL 105          HG12      VAL 105 -17.096  -2.005  -4.921
  805   3HG1  VAL 105          HG11      VAL 105 -16.404  -0.383  -4.923
  806   1HG2  VAL 105          HG22      VAL 105 -14.968  -2.646  -2.115
  807   2HG2  VAL 105          HG21      VAL 105 -16.062  -1.277  -2.312
  808   3HG2  VAL 105          HG23      VAL 105 -16.543  -2.877  -2.877
  809    HA   PRO  59           HA       PRO 106  13.485  17.627 -13.762
  810   1HB   PRO  59           HB2      PRO 106  15.952  16.494 -13.133
  811   2HB   PRO  59           HB1      PRO 106  15.635  17.464 -14.587
  812   1HG   PRO  59           HG2      PRO 106  16.873  18.291 -11.997
  813   2HG   PRO  59           HG1      PRO 106  17.328  18.732 -13.655
  814   1HD   PRO  59           HD2      PRO 106  15.938  20.434 -12.080
  815   2HD   PRO  59           HD1      PRO 106  15.637  20.341 -13.832
  816    H    ALA  60           HN       ALA 107  14.516  18.342 -10.488
  817    HA   ALA  60           HA       ALA 107  13.908  15.609  -9.537
  818   1HB   ALA  60           HB3      ALA 107  15.759  16.962  -8.517
  819   2HB   ALA  60           HB2      ALA 107  14.550  18.108  -7.933
  820   3HB   ALA  60           HB1      ALA 107  14.552  16.448  -7.339
  821    H    THR  61           HN       THR 108  11.847  15.027  -9.063
  822    HA   THR  61           HA       THR 108   9.814  17.182  -8.576
  823    HB   THR  61           HB       THR 108   9.326  14.282  -9.323
  824    HG1  THR  61           HG1      THR 108   8.964  15.253 -11.427
  825   1HG2  THR  61          HG22      THR 108   7.469  15.623  -8.280
  826   2HG2  THR  61          HG21      THR 108   7.584  16.740  -9.633
  827   3HG2  THR  61          HG23      THR 108   7.116  15.063  -9.912
  828    H    LEU  62           HN       LEU 109   9.036  17.370  -6.551
  829    HA   LEU  62           HA       LEU 109   9.840  15.614  -4.409
  830   1HB   LEU  62           HB2      LEU 109   7.782  17.824  -4.590
  831   2HB   LEU  62           HB1      LEU 109   8.152  16.981  -3.089
  832    HG   LEU  62           HG       LEU 109  10.303  18.306  -4.757
  833   1HD1  LEU  62          HD11      LEU 109   8.678  19.510  -2.494
  834   2HD1  LEU  62          HD13      LEU 109  10.096  20.254  -3.237
  835   3HD1  LEU  62          HD12      LEU 109   8.629  20.011  -4.184
  836   1HD2  LEU  62          HD23      LEU 109  10.091  17.262  -1.919
  837   2HD2  LEU  62          HD22      LEU 109  11.291  16.866  -3.148
  838   3HD2  LEU  62          HD21      LEU 109  11.320  18.442  -2.367
  839    H    LYS  63           HN       LYS 110   7.147  15.689  -6.574
  840    HA   LYS  63           HA       LYS 110   5.213  14.272  -5.053
  841   1HB   LYS  63           HB2      LYS 110   5.711  14.121  -8.045
  842   2HB   LYS  63           HB1      LYS 110   4.216  13.698  -7.220
  843   1HG   LYS  63           HG2      LYS 110   5.474  16.457  -7.325
  844   2HG   LYS  63           HG1      LYS 110   4.029  15.942  -8.193
  845   1HD   LYS  63           HD2      LYS 110   3.096  15.362  -5.831
  846   2HD   LYS  63           HD1      LYS 110   4.391  16.396  -5.232
  847   1HE   LYS  63           HE2      LYS 110   3.568  18.268  -6.548
  848   2HE   LYS  63           HE1      LYS 110   2.325  17.251  -7.279
  849   1HZ   LYS  63           HZ1      LYS 110   2.452  17.405  -4.357
  850   2HZ   LYS  63           HZ3      LYS 110   1.815  18.737  -5.196
  851   3HZ   LYS  63           HZ2      LYS 110   1.105  17.205  -5.375
  852    H    ILE  64           HN       ILE 111   8.216  13.265  -6.351
  853    HA   ILE  64           HA       ILE 111   7.611  10.400  -5.671
  854    HB   ILE  64           HB       ILE 111   9.051  11.474  -8.124
  855   1HG1  ILE  64          HG12      ILE 111   6.609  11.380  -8.345
  856   2HG1  ILE  64          HG11      ILE 111   7.365  10.158  -9.358
  857   1HG2  ILE  64          HG23      ILE 111   8.900   8.655  -7.035
  858   2HG2  ILE  64          HG22      ILE 111   9.351   9.034  -8.697
  859   3HG2  ILE  64          HG21      ILE 111  10.352   9.603  -7.363
  860   1HD1  ILE  64          HD11      ILE 111   6.984   8.664  -7.137
  861   2HD1  ILE  64          HD13      ILE 111   5.678   9.824  -6.930
  862   3HD1  ILE  64          HD12      ILE 111   5.752   8.841  -8.382
  863    H    CYS  65           HN       CYS 112   9.379   9.355  -4.592
  864    HA   CYS  65           HA       CYS 112  11.732  11.099  -3.968
  865   1HB   CYS  65           HB2      CYS 112  11.108   8.478  -2.587
  866   2HB   CYS  65           HB1      CYS 112  12.117   9.793  -2.012
  867    H    SER  66           HN       SER 113  13.667  10.577  -4.957
  868    HA   SER  66           HA       SER 113  13.737   8.301  -6.783
  869   1HB   SER  66           HB2      SER 113  15.914  10.251  -5.979
  870   2HB   SER  66           HB1      SER 113  16.030   9.085  -7.293
  871    HG   SER  66           HG       SER 113  14.764  10.294  -8.475
  872    H    TRP  67           HN       TRP 114  14.842   6.395  -6.573
  873    HA   TRP  67           HA       TRP 114  15.634   5.504  -3.923
  874   1HB   TRP  67           HB2      TRP 114  15.802   4.201  -6.654
  875   2HB   TRP  67           HB1      TRP 114  16.330   3.405  -5.166
  876    HD1  TRP  67           HD1      TRP 114  13.203   5.427  -6.213
  877    HE1  TRP  67           HE1      TRP 114  11.126   4.235  -5.279
  878    HE3  TRP  67           HE3      TRP 114  15.411   1.441  -3.924
  879    HZ2  TRP  67           HZ2      TRP 114  10.506   1.926  -3.737
  880    HZ3  TRP  67           HZ3      TRP 114  14.053  -0.238  -2.733
  881    HH2  TRP  67           HH2      TRP 114  11.594  -0.002  -2.649
  882    H    ASN  68           HN       ASN 115  17.133   7.299  -6.293
  883    HA   ASN  68           HA       ASN 115  19.790   6.421  -6.399
  884   1HB   ASN  68           HB2      ASN 115  18.680   9.242  -6.206
  885   2HB   ASN  68           HB1      ASN 115  20.373   8.884  -6.560
  886   1HD2  ASN  68          HD22      ASN 115  18.317   7.008  -9.451
  887   2HD2  ASN  68          HD21      ASN 115  18.413   6.426  -7.860
  888    H    VAL  69           HN       VAL 116  17.991   7.263  -3.648
  889    HA   VAL  69           HA       VAL 116  19.626   8.579  -1.865
  890    HB   VAL  69           HB       VAL 116  18.321   5.964  -1.084
  891   1HG1  VAL  69          HG12      VAL 116  18.689   8.633   0.304
  892   2HG1  VAL  69          HG11      VAL 116  17.832   7.251   0.986
  893   3HG1  VAL  69          HG13      VAL 116  19.561   7.144   0.658
  894   1HG2  VAL  69          HG23      VAL 116  17.037   8.552  -1.955
  895   2HG2  VAL  69          HG22      VAL 116  16.563   6.894  -2.324
  896   3HG2  VAL  69          HG21      VAL 116  16.259   7.557  -0.723
  897    H    ASP  70           HN       ASP 117  21.309   7.931  -0.377
  898    HA   ASP  70           HA       ASP 117  23.374   6.314  -1.487
  899   1HB   ASP  70           HB2      ASP 117  22.863   7.226   1.359
  900   2HB   ASP  70           HB1      ASP 117  24.335   6.393   0.859
  901    H    GLY  71           HN       GLY 118  20.854   5.594   0.905
  902   1HA   GLY  71           HA2      GLY 118  20.173   3.552   1.839
  903   2HA   GLY  71           HA1      GLY 118  20.554   2.886   0.252
   
  No H/Q in entry =         903