*HEADER    ANTIFREEZE PROTEIN                      31-JUL-18   6H7Q              
*TITLE     TRPZIP2 STRUCTURE IN PRESENCE OF EXOGENOUS HALOPROTECTANT MOLECULE.   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TRPZIP2;                                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
*SOURCE   4 ORGANISM_TAXID: 32630                                                
*KEYWDS    STABILISATION, HALOPHILIC, ANTIFREEZE PROTEIN                         
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    S.H.PRIOR                                                             
*REVDAT   1   14-AUG-19 6H7Q    0                                                
# Restraints file 1: dihe.tbl
! Made by Talos+ using default conditions and DSS-corrected 13C chemical shifts.
! W2 phi - good
assign (resid  1  and name c ) (resid  2  and name n ) 
       (resid  2  and name ca) (resid  2  and name c )     1.0  -92.608   16.224 2
! W2 psi - good
assign (resid  2  and name n ) (resid  2  and name ca ) 
       (resid  2  and name c) (resid  3  and name n )      1.0  144.566   13.937 2
! T3 phi - good
assign (resid  2  and name c ) (resid  3  and name n ) 
       (resid  3  and name ca) (resid  3  and name c )     1.0 -111.235   19.902 2
! T3 psi - good
assign (resid  3  and name n ) (resid  3  and name ca ) 
       (resid  3  and name c) (resid  4  and name n )      1.0  149.812   20.519 2
! W4 phi - warn
assign (resid  3  and name c ) (resid  4  and name n ) 
       (resid  4  and name ca) (resid  4  and name c )     1.0  -94.258   17.830 2
! W4 psi - warn
assign (resid  4  and name n ) (resid  4  and name ca ) 
       (resid  4  and name c) (resid  5  and name n )      1.0  139.738    9.818 2
! E5 phi - good
assign (resid  4  and name c ) (resid  5  and name n ) 
       (resid  5  and name ca) (resid  5  and name c )     1.0 -112.217   28.036 2
! E5 psi - good
assign (resid  5  and name n ) (resid  5  and name ca ) 
       (resid  5  and name c) (resid  6  and name n )      1.0  135.579   24.939 2
! N6 phi - good
assign (resid  5  and name c ) (resid  6  and name n ) 
       (resid  6  and name ca) (resid  6  and name c )     1.0   52.121    6.248 2
! N6 psi - good
assign (resid  6  and name n ) (resid  6  and name ca ) 
       (resid  6  and name c) (resid  7  and name n )      1.0   42.447    5.656 2
! G7 phi - warn
assign (resid  6  and name c ) (resid  7  and name n ) 
       (resid  7  and name ca) (resid  7  and name c )     1.0   79.416   15.156 2
! G7 psi - warn
assign (resid  7  and name n ) (resid  7  and name ca ) 
       (resid  7  and name c) (resid  8  and name n )      1.0    0.783   19.343 2
! K8 phi - warn
assign (resid  7  and name c ) (resid  8  and name n ) 
       (resid  8  and name ca) (resid  8  and name c )     1.0 -107.204   60.723 2
! K8 psi - warn
assign (resid  8  and name n ) (resid  8  and name ca ) 
       (resid  8  and name c) (resid  9  and name n )      1.0  140.400   17.669 2
! W9 phi - good
assign (resid  8  and name c ) (resid  9  and name n ) 
       (resid  9  and name ca) (resid  9  and name c )     1.0  -91.754   12.814 2
! W9 psi - good
assign (resid  9  and name n ) (resid  9  and name ca ) 
       (resid  9  and name c) (resid  10  and name n )     1.0  138.247   11.407 2
! T10 phi - good
assign (resid  9  and name c ) (resid  10  and name n ) 
       (resid  10  and name ca) (resid  10  and name c )   1.0 -114.925   13.181 2
! T10 psi - good
assign (resid  10  and name n ) (resid  10  and name ca ) 
       (resid  10  and name c) (resid  11  and name n )    1.0  135.373   14.800 2
! W11 phi - good
assign (resid  10  and name c ) (resid  11  and name n ) 
       (resid  11  and name ca) (resid  11  and name c )   1.0  -97.850   18.945 2
! W11 psi - good
assign (resid  11  and name n ) (resid  11  and name ca ) 
       (resid  11  and name c) (resid  12  and name n )    1.0  124.569   23.764 2
# Restraints file 2: dist.tbl
assign ( resid 4 and name HE1
	 )
       ( resid 4 and name HZ2
	 ) 2.9 1.2 0.6 volume=180998.000 peak=1 ppm1=9.793 ppm2=7.133

assign ( resid 4 and name HE1
	 )
       ( resid 4 and name HD1
	 ) 2.6 0.8 0.5 volume=409619.000 peak=2 ppm1=9.792 ppm2=6.711

assign ( resid 4 and name HZ2
	 )
       ( resid 4 and name HE1
	 ) 2.9 1.2 0.6 volume=190054.000 peak=3 ppm1=7.127 ppm2=9.796

assign ( resid 4 and name HD1
	 )
       ( resid 4 and name HE1
	 ) 2.5 0.7 0.5 volume=519062.000 peak=4 ppm1=6.712 ppm2=9.790

assign ( resid 4 and name HZ2
	 )
       ( resid 4 and name HH2
	 ) 2.3 0.6 0.5 volume=799224.000 peak=5 ppm1=7.135 ppm2=6.868

assign ( resid 4 and name HH2
	 )
       ( resid 4 and name HZ3
	 ) 2.5 0.7 0.5 volume=503578.000 peak=6 ppm1=6.880 ppm2=6.480

assign ( resid 4 and name HH2
	 )
       ( resid 4 and name HZ2
	 ) 2.4 0.7 0.5 volume=632638.000 peak=7 ppm1=6.867 ppm2=7.129

assign ( resid 4 and name HZ3
	 )
       ( resid 4 and name HH2
	 ) 2.5 0.8 0.5 volume=448659.000 peak=8 ppm1=6.471 ppm2=6.871

assign ( resid 4 and name HZ3
	 )
       ( resid 4 and name HE3
	 ) 2.6 0.9 0.5 volume=373513.000 peak=9 ppm1=6.475 ppm2=5.632

assign ( resid 4 and name HD1
	 or resid 11 and name HD1
	 )
       ( resid 4 and name HB3
	 or resid 11 and name HB3
	 ) 2.9 1.1 0.6 volume=205329.000 peak=10 ppm1=6.715 ppm2=1.928

assign ( resid 4 and name HD1
	 )
       ( resid 4 and name HB2
	 ) 2.8 1.1 0.6 volume=242354.000 peak=11 ppm1=6.713 ppm2=2.841

assign ( resid 4 and name HE3
	 )
       ( resid 4 and name HA
	 ) 2.9 1.2 0.6 volume=181076.000 peak=12 ppm1=5.625 ppm2=4.565

assign ( resid 4 and name HE3
	 )
       ( resid 4 and name HB3
	 ) 3.2 1.4 0.6 volume=114150.000 peak=13 ppm1=5.626 ppm2=1.935

assign ( resid 4 and name HE3
	 )
       ( resid 4 and name HB2
	 ) 3.4 1.7 0.7 volume=68049.000 peak=14 ppm1=5.629 ppm2=2.846

assign ( resid 4 and name HE3
	 )
       ( resid 4 and name HZ3
	 ) 2.6 0.9 0.5 volume=361508.000 peak=15 ppm1=5.633 ppm2=6.478

assign ( resid 4 and name HB2
	 )
       ( resid 4 and name HB3
	 ) 2.3 0.6 0.5 volume=726042.000 peak=16 ppm1=2.839 ppm2=1.926

assign ( resid 4 and name HB3
	 )
       ( resid 4 and name HB2
	 ) 2.3 0.6 0.5 volume=795095.000 peak=17 ppm1=1.928 ppm2=2.839

assign ( resid 4 and name HB2
	 )
       ( resid 4 and name HA
	 ) 3.3 1.6 0.7 volume=90061.000 peak=18 ppm1=2.836 ppm2=4.570

assign ( resid 4 and name HB3
	 )
       ( resid 4 and name HA
	 ) 2.9 1.1 0.6 volume=205101.000 peak=19 ppm1=1.938 ppm2=4.560

assign ( resid 4 and name HB2
	 )
       ( resid 4 and name HD1
	 ) 3.1 1.4 0.6 volume=122114.000 peak=20 ppm1=2.840 ppm2=6.717

assign ( resid 4 and name HB2
	 )
       ( resid 4 and name H
	 ) 3.1 1.3 0.6 volume=135978.000 peak=21 ppm1=2.840 ppm2=8.707

assign ( resid 4 and name HB3
	 )
       ( resid 4 and name H
	 ) 3.0 1.3 0.6 volume=160102.000 peak=22 ppm1=1.935 ppm2=8.712

assign ( resid 11 and name HE1
	 )
       ( resid 11 and name HZ2
	 ) 3.0 1.3 0.6 volume=160767.000 peak=23 ppm1=9.944 ppm2=7.313

assign ( resid 11 and name HE1
	 )
       ( resid 11 and name HD1
	 ) 2.6 0.8 0.5 volume=393307.000 peak=24 ppm1=9.944 ppm2=6.716

assign ( resid 11 and name H
	 )
       ( resid 11 and name HB2
	 ) 3.5 1.8 0.7 volume=60080.000 peak=25 ppm1=8.870 ppm2=2.704

assign ( resid 11 and name HZ2
	 )
       ( resid 11 and name HE1
	 ) 3.1 1.3 0.6 volume=135913.000 peak=26 ppm1=7.312 ppm2=9.947

assign ( resid 11 and name HZ2
	 )
       ( resid 11 and name HH2
	 ) 2.3 0.6 0.5 volume=747704.000 peak=27 ppm1=7.321 ppm2=7.025

assign ( resid 11 and name HH2
	 )
       ( resid 11 and name HZ3
	 ) 2.5 0.8 0.5 volume=414015.000 peak=28 ppm1=7.027 ppm2=6.508

assign ( resid 11 and name HD1
	 )
       ( resid 11 and name HE1
	 ) 2.5 0.8 0.5 volume=459708.000 peak=29 ppm1=6.718 ppm2=9.945

assign ( resid 11 and name HZ3
	 )
       ( resid 2 and name HD1
	 ) 3.0 1.3 0.6 volume=142854.000 peak=30 ppm1=6.508 ppm2=7.330

assign ( resid 11 and name HZ3
	 )
       ( resid 11 and name HH2
	 ) 2.6 0.8 0.5 volume=391728.000 peak=31 ppm1=6.502 ppm2=7.021

assign ( resid 11 and name HZ3
	 )
       ( resid 11 and name HE3
	 ) 2.5 0.8 0.5 volume=421300.000 peak=32 ppm1=6.509 ppm2=5.224

assign ( resid 11 and name HD1
	 )
       ( resid 11 and name HB2
	 ) 2.7 1.0 0.5 volume=272754.000 peak=33 ppm1=6.719 ppm2=2.671

assign ( resid 11 and name HE3
	 )
       ( resid 11 and name HB3
	 ) 3.2 1.5 0.6 volume=99703.000 peak=34 ppm1=5.229 ppm2=1.934

assign ( resid 11 and name HE3
	 )
       ( resid 11 and name HA
	 ) 3.3 1.5 0.7 volume=95555.000 peak=35 ppm1=5.227 ppm2=4.193

assign ( resid 11 and name HE3
	 )
       ( resid 11 and name HZ3
	 ) 2.7 1.0 0.5 volume=299871.000 peak=36 ppm1=5.223 ppm2=6.507

assign ( resid 11 and name HB2
	 )
       ( resid 11 and name HD1
	 ) 3.2 1.4 0.6 volume=112543.000 peak=37 ppm1=2.673 ppm2=6.722

assign ( resid 11 and name HB2
	 )
       ( resid 11 and name H
	 ) 3.1 1.4 0.6 volume=120622.000 peak=38 ppm1=2.676 ppm2=8.880

assign ( resid 11 and name HB2
	 )
       ( resid 11 and name HB3
	 ) 2.4 0.7 0.5 volume=617648.000 peak=39 ppm1=2.673 ppm2=1.925

assign ( resid 11 and name HB3
	 )
       ( resid 11 and name HB2
	 ) 2.4 0.6 0.5 volume=646854.000 peak=40 ppm1=1.926 ppm2=2.673

assign ( resid 11 and name HB3
	 )
       ( resid 11 and name HA
	 ) 3.2 1.4 0.6 volume=114121.000 peak=41 ppm1=1.917 ppm2=4.201

assign ( resid 11 and name HB3
	 )
       ( resid 11 and name H
	 ) 3.1 1.3 0.6 volume=138703.000 peak=42 ppm1=1.941 ppm2=8.852

assign ( resid 2 and name HE1
	 )
       ( resid 2 and name HD1
	 or resid 2 and name HZ2
	 ) 2.5 0.7 0.5 volume=499411.000 peak=43 ppm1=10.236 ppm2=7.338

assign ( resid 2 and name HD1
	 or resid 2 and name HZ2
	 )
       ( resid 2 and name HE1
	 ) 2.4 0.7 0.5 volume=574917.000 peak=44 ppm1=7.338 ppm2=10.235

assign ( resid 2 and name HE3
	 )
       ( resid 2 and name HZ3
	 ) 2.4 0.6 0.5 volume=660485.000 peak=45 ppm1=7.394 ppm2=7.132

assign ( resid 2 and name HZ3
	 )
       ( resid 2 and name HE3
	 ) 2.4 0.7 0.5 volume=557514.000 peak=46 ppm1=7.125 ppm2=7.393

assign ( resid 2 and name HD1
	 or resid 2 and name HZ2
	 or resid 2 and name HE3
	 )
       ( resid 2 and name HH2
	 ) 2.2 0.5 0.4 volume=977840.000 peak=47 ppm1=7.339 ppm2=7.177

assign ( resid 2 and name HH2
	 )
       ( resid 2 and name HD1
	 or resid 2 and name HZ2
	 or resid 2 and name HE3
	 ) 2.3 0.6 0.5 volume=696723.000 peak=48 ppm1=7.206 ppm2=7.368

assign ( resid 2 and name HE3
	 )
       ( resid 2 and name HA
	 ) 2.8 1.1 0.6 volume=243543.000 peak=49 ppm1=7.388 ppm2=5.159

assign ( resid 2 and name HD1
	 )
       ( resid 2 and name HB3
	 ) 2.8 1.1 0.6 volume=229384.000 peak=50 ppm1=7.338 ppm2=2.979

assign ( resid 2 and name HA
	 )
       ( resid 2 and name HE3
	 ) 3.3 1.6 0.7 volume=85889.000 peak=51 ppm1=5.168 ppm2=7.386

assign ( resid 2 and name HA
	 )
       ( resid 2 and name HB3
	 or resid 2 and name HB2
	 ) 3.2 1.4 0.6 volume=111404.000 peak=52 ppm1=5.162 ppm2=3.010

assign ( resid 2 and name HB3
	 )
       ( resid 2 and name HA
	 ) 3.4 1.7 0.7 volume=74574.000 peak=53 ppm1=2.964 ppm2=5.162

assign ( resid 2 and name HB2
	 )
       ( resid 2 and name HA
	 ) 3.1 1.3 0.6 volume=136868.000 peak=54 ppm1=3.039 ppm2=5.156

assign ( resid 2 and name HB2
	 )
       ( resid 2 and name HE3
	 ) 3.1 1.4 0.6 volume=122702.000 peak=55 ppm1=3.041 ppm2=7.365

assign ( resid 2 and name HB3
	 )
       ( resid 2 and name HD1
	 ) 3.1 1.4 0.6 volume=118341.000 peak=56 ppm1=2.973 ppm2=7.342

assign ( resid 9 and name HE1
	 )
       ( resid 9 and name HZ2
	 or resid 9 and name HD1
	 ) 2.5 0.8 0.5 volume=468683.000 peak=57 ppm1=9.864 ppm2=7.208

assign ( resid 9 and name HD1
	 )
       ( resid 9 and name HE1
	 ) 2.5 0.8 0.5 volume=470790.000 peak=58 ppm1=7.216 ppm2=9.861

assign ( resid 9 and name HZ2
	 )
       ( resid 9 and name HE1
	 ) 3.0 1.3 0.6 volume=148629.000 peak=59 ppm1=7.179 ppm2=9.877

assign ( resid 9 and name HD1
	 )
       ( resid 9 and name H
	 ) 3.3 1.6 0.7 volume=87582.000 peak=60 ppm1=7.217 ppm2=8.513

assign ( resid 9 and name HE3
	 )
       ( resid 9 and name HZ3
	 ) 2.4 0.7 0.5 volume=627657.000 peak=61 ppm1=7.244 ppm2=7.021

assign ( resid 9 and name HE3
	 )
       ( resid 9 and name HA
	 ) 2.7 1.0 0.5 volume=279879.000 peak=62 ppm1=7.238 ppm2=5.097

assign ( resid 9 and name HD1
	 )
       ( resid 9 and name HB2
	 ) 2.8 1.1 0.6 volume=212888.000 peak=63 ppm1=7.221 ppm2=2.890

assign ( resid 9 and name HA
	 )
       ( resid 9 and name HE3
	 ) 3.2 1.5 0.6 volume=95839.000 peak=64 ppm1=5.101 ppm2=7.230

assign ( resid 9 and name HB2
	 )
       ( resid 9 and name H
	 ) 3.1 1.4 0.6 volume=128632.000 peak=65 ppm1=2.876 ppm2=8.511

assign ( resid 9 and name HB3
	 )
       ( resid 9 and name H
	 ) 3.1 1.3 0.6 volume=138481.000 peak=66 ppm1=3.176 ppm2=8.495

assign ( resid 9 and name HB2
	 )
       ( resid 9 and name HD1
	 ) 3.1 1.4 0.6 volume=122551.000 peak=67 ppm1=2.891 ppm2=7.219

assign ( resid 9 and name HB2
	 )
       ( resid 9 and name HA
	 ) 3.4 1.7 0.7 volume=67687.000 peak=68 ppm1=2.878 ppm2=5.099

assign ( resid 9 and name HB3
	 )
       ( resid 9 and name HA
	 ) 2.9 1.2 0.6 volume=194281.000 peak=69 ppm1=3.168 ppm2=5.079

assign ( resid 9 and name HB2
	 )
       ( resid 9 and name HB3
	 ) 2.4 0.7 0.5 volume=543688.000 peak=70 ppm1=2.882 ppm2=3.177

assign ( resid 1 and name HA
	 )
       ( resid 1 and name HB2
	 or resid 1 and name HB3
	 ) 2.9 1.2 0.6 volume=188099.000 peak=71 ppm1=3.443 ppm2=3.733

assign ( resid 1 and name HB2
	 or resid 1 and name HB3
	 )
       ( resid 1 and name HA
	 ) 3.0 1.3 0.6 volume=156246.000 peak=72 ppm1=3.732 ppm2=3.474

assign ( resid 3 and name H
	 )
       ( resid 3 and name HB
	 ) 3.7 1.9 0.7 volume=43890.000 peak=73 ppm1=9.470 ppm2=3.921

assign ( resid 3 and name HG2#
	 )
       ( resid 3 and name HB
	 ) 3.5 1.8 0.7 volume=59373.000 peak=74 ppm1=1.051 ppm2=3.944

assign ( resid 5 and name HB2
	 )
       ( resid 5 and name HA
	 ) 3.5 1.8 0.7 volume=56521.000 peak=75 ppm1=1.688 ppm2=4.258

assign ( resid 5 and name HB2
	 )
       ( resid 5 and name HB3
	 ) 2.9 1.1 0.6 volume=207031.000 peak=76 ppm1=1.669 ppm2=1.831

assign ( resid 6 and name H
	 )
       ( resid 6 and name HA
	 ) 3.0 1.3 0.6 volume=143183.000 peak=77 ppm1=9.009 ppm2=4.087

assign ( resid 6 and name HD22
	 )
       ( resid 6 and name HD21
	 ) 2.2 0.5 0.4 volume=957106.000 peak=78 ppm1=7.237 ppm2=6.574

assign ( resid 6 and name HD21
	 )
       ( resid 6 and name HD22
	 ) 2.2 0.5 0.4 volume=951120.000 peak=79 ppm1=6.576 ppm2=7.237

assign ( resid 6 and name HD22
	 )
       ( resid 6 and name HA
	 ) 2.9 1.2 0.6 volume=185913.000 peak=80 ppm1=7.237 ppm2=4.112

assign ( resid 6 and name HD21
	 )
       ( resid 6 and name HA
	 ) 3.4 1.6 0.7 volume=78551.000 peak=81 ppm1=6.577 ppm2=4.112

assign ( resid 6 and name HA
	 )
       ( resid 6 and name H
	 ) 2.9 1.2 0.6 volume=179080.000 peak=82 ppm1=4.088 ppm2=9.018

assign ( resid 6 and name HA
	 )
       ( resid 6 and name HB2
	 ) 3.2 1.4 0.6 volume=115093.000 peak=83 ppm1=4.086 ppm2=2.822

assign ( resid 6 and name HB2
	 )
       ( resid 6 and name HA
	 ) 3.3 1.6 0.7 volume=88039.000 peak=84 ppm1=2.815 ppm2=4.084

assign ( resid 6 and name HB2
	 )
       ( resid 6 and name HB3
	 ) 2.4 0.7 0.5 volume=552933.000 peak=85 ppm1=2.840 ppm2=2.535

assign ( resid 6 and name HB3
	 )
       ( resid 6 and name HB2
	 ) 2.5 0.7 0.5 volume=498959.000 peak=86 ppm1=2.522 ppm2=2.829

assign ( resid 7 and name H
	 )
       ( resid 7 and name HA3
	 ) 2.7 0.9 0.5 volume=311537.000 peak=87 ppm1=7.421 ppm2=3.146

assign ( resid 7 and name H
	 )
       ( resid 7 and name HA2
	 ) 3.0 1.3 0.6 volume=158174.000 peak=88 ppm1=7.426 ppm2=3.722

assign ( resid 7 and name HA3
	 )
       ( resid 7 and name HA2
	 ) 2.4 0.7 0.5 volume=619005.000 peak=89 ppm1=3.112 ppm2=3.724

assign ( resid 7 and name HA3
	 )
       ( resid 7 and name H
	 ) 3.1 1.4 0.6 volume=121877.000 peak=90 ppm1=3.116 ppm2=7.419

assign ( resid 7 and name HA2
	 )
       ( resid 7 and name H
	 ) 3.5 1.8 0.7 volume=58674.000 peak=91 ppm1=3.697 ppm2=7.423

assign ( resid 8 and name H
	 )
       ( resid 8 and name HA
	 ) 3.0 1.3 0.6 volume=158469.000 peak=92 ppm1=6.726 ppm2=4.138

assign ( resid 8 and name HA
	 )
       ( resid 8 and name H
	 ) 3.4 1.7 0.7 volume=71121.000 peak=93 ppm1=4.132 ppm2=6.739

assign ( resid 8 and name HE2
	 or resid 8 and name HE3
	 )
       ( resid 8 and name HD2
	 or resid 8 and name HD3
	 ) 2.7 1.0 0.5 volume=269003.000 peak=94 ppm1=2.910 ppm2=1.563

assign ( resid 8 and name HE2
	 or resid 8 and name HE3
	 )
       ( resid 8 and name HG2
	 or resid 8 and name HG3
	 ) 3.5 1.8 0.7 volume=59399.000 peak=95 ppm1=2.926 ppm2=1.142

assign ( resid 8 and name HB3
	 )
       ( resid 8 and name HA
	 ) 3.5 1.8 0.7 volume=58144.000 peak=96 ppm1=1.565 ppm2=4.158

assign ( resid 8 and name HD2
	 or resid 8 and name HD3
	 )
       ( resid 8 and name HE2
	 or resid 8 and name HE3
	 ) 2.8 1.1 0.6 volume=217637.000 peak=97 ppm1=1.578 ppm2=2.922

assign ( resid 10 and name H
	 )
       ( resid 10 and name HB
	 ) 3.4 1.6 0.7 volume=77903.000 peak=98 ppm1=9.748 ppm2=3.954

assign ( resid 10 and name HG2#
	 )
       ( resid 10 and name HB
	 ) 3.4 1.7 0.7 volume=73141.000 peak=99 ppm1=1.102 ppm2=3.963

assign ( resid 12 and name HA
	 )
       ( resid 12 and name H
	 ) 3.4 1.7 0.7 volume=70782.000 peak=100 ppm1=4.114 ppm2=7.523

assign ( resid 12 and name HE2
	 or resid 12 and name HE3
	 )
       ( resid 12 and name HD3
	 or resid 12 and name HD2
	 ) 3.3 1.6 0.7 volume=84138.000 peak=101 ppm1=2.744 ppm2=1.427

assign ( resid 12 and name HB2
	 )
       ( resid 12 and name HG3
	 or resid 12 and name HG2
	 ) 3.5 1.7 0.7 volume=61939.000 peak=102 ppm1=1.295 ppm2=1.120

assign ( resid 12 and name HG3
	 )
       ( resid 12 and name HB3
	 or resid 12 and name HD3
	 or resid 12 and name HD2
	 ) 3.3 1.6 0.7 volume=91920.000 peak=103 ppm1=1.130 ppm2=1.423

assign ( resid 3 and name HG2#
	 )
       ( resid 12 and name HB3
	 or resid 12 and name HD3
	 or resid 12 and name HD2
	 ) 3.4 1.7 0.7 volume=73111.000 peak=104 ppm1=1.047 ppm2=1.413

assign ( resid 1 and name HA
	 )
       ( resid 2 and name H
	 ) 3.3 1.6 0.7 volume=83806.000 peak=105 ppm1=3.452 ppm2=8.807

assign ( resid 2 and name HA
	 )
       ( resid 3 and name H
	 ) 2.8 1.1 0.6 volume=244595.000 peak=106 ppm1=5.161 ppm2=9.469

assign ( resid 2 and name HA
	 )
       ( resid 11 and name HA
	 ) 3.3 1.6 0.7 volume=83041.000 peak=107 ppm1=5.161 ppm2=4.195

assign ( resid 2 and name HB3
	 )
       ( resid 9 and name HE3
	 ) 3.0 1.3 0.6 volume=140589.000 peak=108 ppm1=3.038 ppm2=7.252

assign ( resid 2 and name HE1
	 )
       ( resid 11 and name HZ3
	 ) 3.4 1.7 0.7 volume=71354.000 peak=109 ppm1=10.236 ppm2=6.505

assign ( resid 2 and name HE1
	 )
       ( resid 11 and name HE3
	 ) 3.6 1.8 0.7 volume=53685.000 peak=110 ppm1=10.242 ppm2=5.208

assign ( resid 2 and name HD1
	 )
       ( resid 11 and name HZ3
	 ) 3.0 1.3 0.6 volume=160542.000 peak=111 ppm1=7.335 ppm2=6.507

assign ( resid 2 and name HD1
	 )
       ( resid 11 and name HE3
	 ) 3.3 1.6 0.7 volume=81128.000 peak=112 ppm1=7.339 ppm2=5.218

assign ( resid 2 and name HE3
	 )
       ( resid 10 and name H
	 ) 3.6 1.8 0.7 volume=56114.000 peak=113 ppm1=7.389 ppm2=9.754

assign ( resid 2 and name HE3
	 )
       ( resid 3 and name H
	 ) 3.5 1.8 0.7 volume=60915.000 peak=114 ppm1=7.390 ppm2=9.469

assign ( resid 2 and name HE3
	 )
       ( resid 11 and name HA
	 ) 3.4 1.7 0.7 volume=76198.000 peak=115 ppm1=7.387 ppm2=4.187

assign ( resid 2 and name HE3
	 )
       ( resid 2 and name HB3
	 or resid 2 and name HB2
	 ) 3.0 1.3 0.6 volume=153585.000 peak=116 ppm1=7.389 ppm2=3.033

assign ( resid 3 and name H
	 )
       ( resid 2 and name HA
	 ) 2.5 0.8 0.5 volume=472306.000 peak=117 ppm1=9.469 ppm2=5.158

assign ( resid 3 and name H
	 )
       ( resid 10 and name H
	 ) 3.4 1.7 0.7 volume=75218.000 peak=118 ppm1=9.469 ppm2=9.760

assign ( resid 4 and name HZ3
	 )
       ( resid 9 and name HE1
	 ) 3.4 1.7 0.7 volume=70675.000 peak=119 ppm1=6.480 ppm2=9.870

assign ( resid 4 and name HZ3
	 )
       ( resid 9 and name H
	 ) 3.5 1.7 0.7 volume=62995.000 peak=120 ppm1=6.473 ppm2=8.521

assign ( resid 4 and name HZ3
	 )
       ( resid 9 and name HD1
	 ) 3.1 1.4 0.6 volume=122107.000 peak=121 ppm1=6.477 ppm2=7.215

assign ( resid 4 and name HZ3
	 )
       ( resid 8 and name HA
	 ) 3.3 1.6 0.7 volume=91590.000 peak=122 ppm1=6.480 ppm2=4.139

assign ( resid 2 and name HZ3
	 or resid 9 and name HH2
	 )
       ( resid 4 and name HB3
	 or resid 11 and name HB3
	 ) 3.3 1.6 0.7 volume=89470.000 peak=123 ppm1=7.127 ppm2=1.934

assign ( resid 4 and name HE3
	 )
       ( resid 9 and name HD1
	 ) 3.4 1.7 0.7 volume=68487.000 peak=124 ppm1=5.633 ppm2=7.208

assign ( resid 4 and name HE3
	 )
       ( resid 9 and name HA
	 ) 3.2 1.4 0.6 volume=112292.000 peak=125 ppm1=5.626 ppm2=5.097

assign ( resid 5 and name H
	 )
       ( resid 4 and name HA
	 ) 3.3 1.6 0.7 volume=87602.000 peak=126 ppm1=8.376 ppm2=4.573

assign ( resid 5 and name HA
	 )
       ( resid 6 and name H
	 ) 3.2 1.5 0.6 volume=109658.000 peak=127 ppm1=4.251 ppm2=9.014

assign ( resid 6 and name H
	 )
       ( resid 5 and name HA
	 ) 3.1 1.4 0.6 volume=117511.000 peak=128 ppm1=9.013 ppm2=4.253

assign ( resid 9 and name HE3
	 )
       ( resid 10 and name H
	 ) 3.4 1.7 0.7 volume=74611.000 peak=129 ppm1=7.244 ppm2=9.736

assign ( resid 9 and name HE3
	 )
       ( resid 3 and name H
	 ) 3.6 1.8 0.7 volume=54690.000 peak=130 ppm1=7.242 ppm2=9.478

assign ( resid 6 and name HA
	 )
       ( resid 7 and name H
	 ) 3.3 1.5 0.7 volume=93491.000 peak=131 ppm1=4.078 ppm2=7.425

assign ( resid 7 and name H
	 )
       ( resid 8 and name H
	 ) 3.1 1.3 0.6 volume=135648.000 peak=132 ppm1=7.426 ppm2=6.732

assign ( resid 7 and name H
	 )
       ( resid 6 and name HA
	 ) 3.0 1.3 0.6 volume=140367.000 peak=133 ppm1=7.427 ppm2=4.086

assign ( resid 8 and name H
	 )
       ( resid 5 and name H
	 ) 3.3 1.6 0.7 volume=80393.000 peak=134 ppm1=6.734 ppm2=8.369

assign ( resid 8 and name H
	 )
       ( resid 7 and name H
	 ) 3.2 1.5 0.6 volume=102428.000 peak=135 ppm1=6.734 ppm2=7.427

assign ( resid 8 and name H
	 )
       ( resid 7 and name HA2
	 ) 3.4 1.7 0.7 volume=68664.000 peak=136 ppm1=6.728 ppm2=3.715

assign ( resid 8 and name HA
	 )
       ( resid 9 and name H
	 ) 2.8 1.0 0.6 volume=258886.000 peak=137 ppm1=4.143 ppm2=8.510

assign ( resid 8 and name HA
	 )
       ( resid 4 and name HZ3
	 ) 3.4 1.7 0.7 volume=74451.000 peak=138 ppm1=4.134 ppm2=6.498

assign ( resid 8 and name HB2
	 )
       ( resid 8 and name HG2
	 ) 3.1 1.4 0.6 volume=125744.000 peak=139 ppm1=1.607 ppm2=1.195

assign ( resid 8 and name HG2
	 )
       ( resid 8 and name HB2
	 ) 3.5 1.8 0.7 volume=58345.000 peak=140 ppm1=1.160 ppm2=1.612

assign ( resid 9 and name HA
	 )
       ( resid 10 and name H
	 ) 3.0 1.2 0.6 volume=169731.000 peak=141 ppm1=5.094 ppm2=9.748

assign ( resid 9 and name HA
	 )
       ( resid 4 and name HA
	 ) 3.2 1.5 0.6 volume=97716.000 peak=142 ppm1=5.093 ppm2=4.536

assign ( resid 9 and name HE1
	 )
       ( resid 4 and name HZ3
	 ) 3.4 1.7 0.7 volume=72963.000 peak=143 ppm1=9.862 ppm2=6.475

assign ( resid 9 and name HD1
	 )
       ( resid 4 and name HZ3
	 ) 2.9 1.2 0.6 volume=174974.000 peak=144 ppm1=7.217 ppm2=6.480

assign ( resid 9 and name HD1
	 )
       ( resid 4 and name HE3
	 ) 3.6 1.8 0.7 volume=54839.000 peak=145 ppm1=7.223 ppm2=5.625

assign ( resid 2 and name HH2
	 )
       ( resid 11 and name HB3
	 ) 3.4 1.7 0.7 volume=72640.000 peak=146 ppm1=7.203 ppm2=1.929

assign ( resid 9 and name HE3
	 )
       ( resid 2 and name HB3
	 or resid 2 and name HB2
	 ) 2.9 1.2 0.6 volume=201159.000 peak=147 ppm1=7.241 ppm2=3.027

assign ( resid 9 and name HZ3
	 )
       ( resid 4 and name H
	 ) 3.5 1.7 0.7 volume=62590.000 peak=148 ppm1=7.007 ppm2=8.706

assign ( resid 9 and name HZ3
	 or resid 11 and name HH2
	 )
       ( resid 9 and name HE3
	 or resid 11 and name HZ2
	 ) 2.3 0.6 0.5 volume=814743.000 peak=149 ppm1=7.010 ppm2=7.287

assign ( resid 9 and name HZ3
	 )
       ( resid 2 and name HB3
	 or resid 2 and name HB2
	 ) 3.5 1.8 0.7 volume=60379.000 peak=150 ppm1=7.006 ppm2=2.995

assign ( resid 9 and name HZ3
	 )
       ( resid 4 and name HB3
	 ) 3.4 1.7 0.7 volume=76039.000 peak=151 ppm1=7.009 ppm2=1.939

assign ( resid 9 and name HE3
	 )
       ( resid 4 and name HB3
	 ) 3.5 1.8 0.7 volume=59585.000 peak=152 ppm1=7.239 ppm2=1.951

assign ( resid 10 and name H
	 )
       ( resid 9 and name HA
	 ) 2.5 0.8 0.5 volume=453601.000 peak=153 ppm1=9.748 ppm2=5.094

assign ( resid 10 and name H
	 )
       ( resid 3 and name H
	 ) 3.3 1.6 0.7 volume=85208.000 peak=154 ppm1=9.741 ppm2=9.464

assign ( resid 10 and name H
	 )
       ( resid 2 and name HE3
	 ) 3.6 1.8 0.7 volume=53643.000 peak=155 ppm1=9.739 ppm2=7.376

assign ( resid 10 and name H
	 )
       ( resid 9 and name HE3
	 ) 3.6 1.8 0.7 volume=54332.000 peak=156 ppm1=9.750 ppm2=7.229

assign ( resid 11 and name HA
	 )
       ( resid 12 and name H
	 ) 2.9 1.1 0.6 volume=207570.000 peak=157 ppm1=4.191 ppm2=7.529

assign ( resid 11 and name HA
	 )
       ( resid 2 and name HA
	 ) 3.1 1.4 0.6 volume=117265.000 peak=158 ppm1=4.191 ppm2=5.179

assign ( resid 11 and name HZ3
	 )
       ( resid 2 and name HE1
	 ) 3.5 1.7 0.7 volume=64828.000 peak=159 ppm1=6.510 ppm2=10.234

assign ( resid 11 and name HZ3
	 )
       ( resid 1 and name HA
	 ) 3.3 1.6 0.7 volume=89873.000 peak=160 ppm1=6.512 ppm2=3.469

assign ( resid 11 and name HE3
	 )
       ( resid 2 and name HD1
	 ) 3.4 1.7 0.7 volume=71967.000 peak=161 ppm1=5.230 ppm2=7.345

assign ( resid 12 and name H
	 )
       ( resid 2 and name HA
	 ) 3.5 1.8 0.7 volume=58546.000 peak=162 ppm1=7.539 ppm2=5.167

assign ( resid 12 and name H
	 )
       ( resid 11 and name HA
	 ) 2.5 0.8 0.5 volume=469202.000 peak=163 ppm1=7.529 ppm2=4.186

assign ( resid 6 and name HA
	 )
       ( resid 6 and name HD22
	 ) 3.2 1.5 0.6 volume=109570.000 peak=164 ppm1=4.117 ppm2=7.243

assign ( resid 9 and name HE3
	 )
       ( resid 4 and name HA
	 ) 3.4 1.7 0.7 volume=67403.000 peak=165 ppm1=7.237 ppm2=4.563

assign ( resid 8 and name HE2
	 or resid 8 and name HE3
	 )
       ( resid 9 and name H
	 ) 3.2 1.5 0.6 volume=99845.000 peak=166 ppm1=2.912 ppm2=8.531

assign ( resid 11 and name HB2
	 )
       ( resid 11 and name HA
	 ) 3.5 1.8 0.7 volume=57899.000 peak=167 ppm1=2.654 ppm2=4.173

assign ( resid 3 and name H
	 )
       ( resid 2 and name HE3
	 ) 3.7 1.9 0.7 volume=41186.000 peak=168 ppm1=9.465 ppm2=7.400

assign ( resid 2 and name HZ3
	 )
       ( resid 11 and name H
	 ) 3.7 1.9 0.7 volume=43436.000 peak=169 ppm1=7.127 ppm2=8.879

assign ( resid 2 and name HD1
	 )
       ( resid 2 and name H
	 ) 3.7 1.8 0.7 volume=45351.000 peak=170 ppm1=7.334 ppm2=8.809

assign ( resid 4 and name HD1
	 )
       ( resid 4 and name H
	 ) 3.6 1.8 0.7 volume=48173.000 peak=171 ppm1=6.712 ppm2=8.709

assign ( resid 2 and name HZ3
	 )
       ( resid 2 and name HA
	 ) 3.6 1.8 0.7 volume=51226.000 peak=172 ppm1=7.125 ppm2=5.145

assign ( resid 11 and name HH2
	 )
       ( resid 11 and name HE3
	 ) 3.6 1.8 0.7 volume=49028.000 peak=173 ppm1=7.022 ppm2=5.215

assign ( resid 12 and name H
	 )
       ( resid 12 and name HB2
	 ) 3.5 1.8 0.7 volume=57022.000 peak=174 ppm1=7.529 ppm2=1.304

assign ( resid 8 and name H
	 )
       ( resid 8 and name HB3
	 or resid 8 and name HB2
	 ) 3.7 1.8 0.7 volume=47131.000 peak=175 ppm1=6.733 ppm2=1.591

assign ( resid 8 and name H
	 )
       ( resid 8 and name HG3
	 ) 3.7 1.8 0.7 volume=45080.000 peak=176 ppm1=6.727 ppm2=1.100

assign ( resid 11 and name H
	 )
       ( resid 12 and name HB3
	 ) 3.6 1.8 0.7 volume=51441.000 peak=177 ppm1=8.861 ppm2=1.392

assign ( resid 2 and name HZ3
	 )
       ( resid 11 and name HB2
	 ) 3.7 1.9 0.7 volume=42551.000 peak=178 ppm1=7.124 ppm2=2.671

assign ( resid 12 and name HB2
	 )
       ( resid 10 and name HB
	 ) 3.7 1.9 0.7 volume=42244.000 peak=179 ppm1=1.257 ppm2=3.967

assign ( resid 12 and name HD3
	 or resid 12 and name HD2
	 )
       ( resid 12 and name HE2
	 or resid 12 and name HE3
	 ) 3.5 1.7 0.7 volume=64476.000 peak=180 ppm1=1.461 ppm2=2.719

assign ( resid 2 and name HD1
	 )
       ( resid 1 and name HA
	 ) 3.7 1.8 0.7 volume=44635.000 peak=181 ppm1=7.343 ppm2=3.478

assign ( resid 11 and name HH2
	 )
       ( resid 1 and name HA
	 ) 3.7 1.8 0.7 volume=44734.000 peak=182 ppm1=7.021 ppm2=3.473

assign ( resid 11 and name HE3
	 )
       ( resid 1 and name HA
	 ) 3.7 1.9 0.7 volume=42935.000 peak=183 ppm1=5.237 ppm2=3.492

assign ( resid 7 and name HA2
	 )
       ( resid 8 and name H
	 ) 3.7 1.8 0.7 volume=45503.000 peak=184 ppm1=3.744 ppm2=6.760

assign ( resid 1 and name HA
	 )
       ( resid 11 and name HZ3
	 ) 3.6 1.8 0.7 volume=53403.000 peak=185 ppm1=3.449 ppm2=6.495

assign ( resid 1 and name HA
	 )
       ( resid 11 and name HH2
	 ) 3.4 1.7 0.7 volume=73527.000 peak=186 ppm1=3.439 ppm2=7.029

assign ( resid 7 and name HA3
	 )
       ( resid 8 and name H
	 ) 3.3 1.6 0.7 volume=82871.000 peak=187 ppm1=3.109 ppm2=6.719

assign ( resid 7 and name H
	 )
       ( resid 6 and name H
	 ) 3.9 1.9 0.8 volume=32568.000 peak=188 ppm1=7.424 ppm2=8.993

assign ( resid 2 and name HE3
	 )
       ( resid 11 and name H
	 ) 3.8 1.9 0.8 volume=37080.000 peak=189 ppm1=7.388 ppm2=8.876

!assign ( resid 4 and name HH2
!	 )
!       ( resid 4 and name HE1
!	 ) 3.8 1.9 0.8 volume=36626.000 peak=190 ppm1=6.894 ppm2=9.783

assign ( resid 4 and name HZ2
	 )
       ( resid 7 and name HA2
	 ) 3.8 1.9 0.8 volume=35787.000 peak=191 ppm1=7.127 ppm2=3.727

assign ( resid 2 and name HZ3
	 )
       ( resid 11 and name HA
	 ) 3.8 1.9 0.8 volume=38383.000 peak=192 ppm1=7.129 ppm2=4.190

!assign ( resid 4 and name HE3
!	 )
!       ( resid 4 and name HE1
!	 ) 3.8 1.9 0.8 volume=38455.000 peak=193 ppm1=5.630 ppm2=9.794

assign ( resid 9 and name HE1
	 )
       ( resid 4 and name HE3
	 ) 3.8 1.9 0.8 volume=36810.000 peak=194 ppm1=9.859 ppm2=5.634

assign ( resid 4 and name HE3
	 )
       ( resid 5 and name H
	 ) 3.8 1.9 0.8 volume=39143.000 peak=195 ppm1=5.640 ppm2=8.364

assign ( resid 2 and name HA
	 )
       ( resid 2 and name H
	 ) 3.7 1.8 0.7 volume=46609.000 peak=196 ppm1=5.163 ppm2=8.828

assign ( resid 8 and name HA
	 )
       ( resid 8 and name HD2
	 or resid 8 and name HD3
	 or resid 8 and name HB3
	 or resid 8 and name HB2
	 ) 3.7 1.9 0.7 volume=43195.000 peak=197 ppm1=4.139 ppm2=1.585

assign ( resid 12 and name HA
	 )
       ( resid 12 and name HB2
	 ) 3.7 1.8 0.7 volume=47455.000 peak=198 ppm1=4.103 ppm2=1.320

assign ( resid 2 and name HB2
	 )
       ( resid 9 and name HZ3
	 ) 3.5 1.8 0.7 volume=60624.000 peak=199 ppm1=3.033 ppm2=7.042

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   SER   1           HT1      SER   1  -4.298   6.981   2.527
    2    H2   SER   1           HT2      SER   1  -4.490   5.907   3.852
    3    H3   SER   1           HT3      SER   1  -5.776   6.948   3.395
    4    HA   SER   1           HA       SER   1  -6.407   4.955   2.545
    5    HB2  SER   1           HB3      SER   1  -4.888   6.543   0.465
    6    HB3  SER   1           HB2      SER   1  -5.967   5.209   0.056
    7    HG   SER   1           HG       SER   1  -6.725   7.600   0.244
    8    H    TRP   2           H        TRP   2  -5.711   3.274   0.712
    9    HA   TRP   2           HA       TRP   2  -3.194   2.078   1.674
   10    HB2  TRP   2           HB3      TRP   2  -5.748   0.863   0.631
   11    HB3  TRP   2           HB2      TRP   2  -4.251  -0.057   0.729
   12    HD1  TRP   2           HD1      TRP   2  -7.222   0.609   2.731
   13    HE1  TRP   2           HE1      TRP   2  -6.805   0.061   5.215
   14    HE3  TRP   2           HE3      TRP   2  -2.148   0.298   2.621
   15    HZ2  TRP   2           HZ2      TRP   2  -4.583  -0.428   6.907
   16    HZ3  TRP   2           HZ3      TRP   2  -0.941  -0.193   4.691
   17    HH2  TRP   2           HH2      TRP   2  -2.128  -0.556   6.800
   18    H    THR   3           H        THR   3  -1.582   1.730   0.301
   19    HA   THR   3           HA       THR   3  -2.100   1.989  -2.586
   20    HB   THR   3           HB       THR   3   0.617   2.641  -1.641
   21    HG1  THR   3           HG1      THR   3  -1.619   4.219  -0.936
   22   HG21  THR   3          HG21      THR   3   0.145   4.673  -3.107
   23   HG22  THR   3          HG22      THR   3  -1.321   3.820  -3.591
   24   HG23  THR   3          HG23      THR   3   0.260   3.098  -3.893
   25    H    TRP   4           H        TRP   4  -1.456   0.308  -3.795
   26    HA   TRP   4           HA       TRP   4  -0.031  -1.863  -2.466
   27    HB2  TRP   4           HB3      TRP   4  -1.977  -2.612  -3.536
   28    HB3  TRP   4           HB2      TRP   4  -1.720  -1.582  -4.934
   29    HD1  TRP   4           HD1      TRP   4   0.032  -2.462  -6.787
   30    HE1  TRP   4           HE1      TRP   4   0.764  -4.861  -7.387
   31    HE3  TRP   4           HE3      TRP   4  -1.468  -4.846  -2.530
   32    HZ2  TRP   4           HZ2      TRP   4   0.705  -7.426  -6.200
   33    HZ3  TRP   4           HZ3      TRP   4  -1.092  -7.267  -2.330
   34    HH2  TRP   4           HH2      TRP   4  -0.030  -8.532  -4.132
   35    H    GLU   5           H        GLU   5   2.072  -2.285  -2.838
   36    HA   GLU   5           HA       GLU   5   3.297  -1.328  -5.316
   37    HB2  GLU   5           HB3      GLU   5   3.530   0.223  -3.160
   38    HB3  GLU   5           HB2      GLU   5   4.862  -0.885  -2.831
   39    HG2  GLU   5           HG3      GLU   5   6.151   0.030  -4.396
   40    HG3  GLU   5           HG2      GLU   5   4.842   0.078  -5.575
   41    H    ASN   6           H        ASN   6   4.591  -2.761  -6.210
   42    HA   ASN   6           HA       ASN   6   5.664  -4.741  -6.572
   43    HB2  ASN   6           HB3      ASN   6   7.378  -3.243  -5.538
   44    HB3  ASN   6           HB2      ASN   6   7.039  -4.012  -3.984
   45   HD21  ASN   6          HD21      ASN   6   7.631  -5.060  -7.329
   46   HD22  ASN   6          HD22      ASN   6   8.794  -6.270  -6.921
   47    H    GLY   7           H        GLY   7   3.190  -5.190  -5.173
   48    HA2  GLY   7           HA3      GLY   7   2.261  -7.222  -4.476
   49    HA3  GLY   7           HA2      GLY   7   3.866  -7.801  -4.098
   50    H    LYS   8           H        LYS   8   2.953  -4.720  -2.785
   51    HA   LYS   8           HA       LYS   8   2.107  -5.965  -0.282
   52    HB2  LYS   8           HB3      LYS   8   4.742  -4.896  -0.735
   53    HB3  LYS   8           HB2      LYS   8   3.924  -3.970   0.517
   54    HG2  LYS   8           HG3      LYS   8   3.792  -6.925   0.693
   55    HG3  LYS   8           HG2      LYS   8   5.334  -6.145   1.053
   56    HD2  LYS   8           HD3      LYS   8   4.542  -5.141   2.936
   57    HD3  LYS   8           HD2      LYS   8   2.906  -4.985   2.295
   58    HE2  LYS   8           HE3      LYS   8   2.267  -7.010   3.068
   59    HE3  LYS   8           HE2      LYS   8   3.844  -7.739   2.765
   60    HZ1  LYS   8           HZ1      LYS   8   3.738  -5.761   4.892
   61    HZ2  LYS   8           HZ2      LYS   8   4.571  -7.231   4.820
   62    HZ3  LYS   8           HZ3      LYS   8   2.922  -7.212   5.195
   63    H    TRP   9           H        TRP   9   0.570  -4.878   0.727
   64    HA   TRP   9           HA       TRP   9  -0.351  -2.350  -0.346
   65    HB2  TRP   9           HB3      TRP   9  -1.394  -4.386   1.574
   66    HB3  TRP   9           HB2      TRP   9  -2.045  -2.768   1.664
   67    HD1  TRP   9           HD1      TRP   9  -2.510  -5.926  -0.011
   68    HE1  TRP   9           HE1      TRP   9  -4.144  -5.729  -1.998
   69    HE3  TRP   9           HE3      TRP   9  -2.685  -0.846  -0.373
   70    HZ2  TRP   9           HZ2      TRP   9  -5.347  -3.667  -3.509
   71    HZ3  TRP   9           HZ3      TRP   9  -4.101   0.165  -2.111
   72    HH2  TRP   9           HH2      TRP   9  -5.406  -1.215  -3.643
   73    H    THR  10           H        THR  10   0.128  -0.398   0.481
   74    HA   THR  10           HA       THR  10   1.136  -0.261   3.246
   75    HB   THR  10           HB       THR  10   2.478   1.780   2.216
   76    HG1  THR  10           HG1      THR  10   2.283  -0.003   0.021
   77   HG21  THR  10          HG21      THR  10   3.237  -0.648   3.099
   78   HG22  THR  10          HG22      THR  10   4.345   0.570   2.467
   79   HG23  THR  10          HG23      THR  10   3.772  -0.729   1.421
   80    H    TRP  11           H        TRP  11   0.681   1.658   4.398
   81    HA   TRP  11           HA       TRP  11  -1.720   3.012   3.450
   82    HB2  TRP  11           HB3      TRP  11  -1.726   2.106   5.732
   83    HB3  TRP  11           HB2      TRP  11  -0.336   3.114   6.143
   84    HD1  TRP  11           HD1      TRP  11  -0.826   5.510   6.984
   85    HE1  TRP  11           HE1      TRP  11  -2.956   6.918   7.303
   86    HE3  TRP  11           HE3      TRP  11  -4.180   2.480   4.581
   87    HZ2  TRP  11           HZ2      TRP  11  -5.691   6.768   6.629
   88    HZ3  TRP  11           HZ3      TRP  11  -6.532   3.189   4.465
   89    HH2  TRP  11           HH2      TRP  11  -7.270   5.288   5.468
   90    H    LYS  12           H        LYS  12  -1.185   4.589   2.042
   91    HA   LYS  12           HA       LYS  12  -0.044   6.987   3.013
   92    HB2  LYS  12           HB3      LYS  12   1.956   5.360   2.564
   93    HB3  LYS  12           HB2      LYS  12   1.660   5.759   0.876
   94    HG2  LYS  12           HG3      LYS  12   1.845   8.050   2.717
   95    HG3  LYS  12           HG2      LYS  12   3.331   7.131   2.468
   96    HD2  LYS  12           HD3      LYS  12   3.576   7.880   0.367
   97    HD3  LYS  12           HD2      LYS  12   1.860   7.688   0.001
   98    HE2  LYS  12           HE3      LYS  12   1.949   9.950  -0.084
   99    HE3  LYS  12           HE2      LYS  12   1.706   9.780   1.654
  100    HZ1  LYS  12           HZ1      LYS  12   3.825  10.396   2.104
  101    HZ2  LYS  12           HZ2      LYS  12   3.648  11.230   0.643
  102    HZ3  LYS  12           HZ3      LYS  12   4.457   9.745   0.675
  Start of MODEL    2
    1    H1   SER   1           HT1      SER   1  -6.161   6.679   3.181
    2    H2   SER   1           HT2      SER   1  -4.581   6.814   2.525
    3    H3   SER   1           HT3      SER   1  -4.908   5.657   3.748
    4    HA   SER   1           HA       SER   1  -6.589   4.722   2.141
    5    HB2  SER   1           HB3      SER   1  -4.770   6.037   0.129
    6    HB3  SER   1           HB2      SER   1  -6.338   5.274  -0.137
    7    HG   SER   1           HG       SER   1  -7.179   7.041   1.226
    8    H    TRP   2           H        TRP   2  -5.686   3.081   0.468
    9    HA   TRP   2           HA       TRP   2  -3.178   2.007   1.586
   10    HB2  TRP   2           HB3      TRP   2  -5.613   0.678   0.408
   11    HB3  TRP   2           HB2      TRP   2  -4.085  -0.176   0.583
   12    HD1  TRP   2           HD1      TRP   2  -7.183   0.343   2.421
   13    HE1  TRP   2           HE1      TRP   2  -6.875  -0.194   4.924
   14    HE3  TRP   2           HE3      TRP   2  -2.098   0.279   2.589
   15    HZ2  TRP   2           HZ2      TRP   2  -4.727  -0.582   6.734
   16    HZ3  TRP   2           HZ3      TRP   2  -0.985  -0.163   4.721
   17    HH2  TRP   2           HH2      TRP   2  -2.267  -0.591   6.761
   18    H    THR   3           H        THR   3  -1.472   1.733   0.310
   19    HA   THR   3           HA       THR   3  -1.828   2.050  -2.597
   20    HB   THR   3           HB       THR   3  -0.580   3.920  -1.724
   21    HG1  THR   3           HG1      THR   3   0.329   3.346  -3.602
   22   HG21  THR   3          HG21      THR   3   0.727   1.895  -0.070
   23   HG22  THR   3          HG22      THR   3   0.472   3.616   0.220
   24   HG23  THR   3          HG23      THR   3   1.819   3.081  -0.786
   25    H    TRP   4           H        TRP   4  -1.203   0.386  -3.845
   26    HA   TRP   4           HA       TRP   4   0.129  -1.863  -2.527
   27    HB2  TRP   4           HB3      TRP   4  -1.915  -2.507  -3.505
   28    HB3  TRP   4           HB2      TRP   4  -1.628  -1.549  -4.948
   29    HD1  TRP   4           HD1      TRP   4  -0.098  -2.612  -6.838
   30    HE1  TRP   4           HE1      TRP   4   0.541  -5.063  -7.340
   31    HE3  TRP   4           HE3      TRP   4  -1.331  -4.690  -2.348
   32    HZ2  TRP   4           HZ2      TRP   4   0.516  -7.550  -5.988
   33    HZ3  TRP   4           HZ3      TRP   4  -0.991  -7.101  -2.018
   34    HH2  TRP   4           HH2      TRP   4  -0.090  -8.505  -3.805
   35    H    GLU   5           H        GLU   5   2.193  -2.368  -3.002
   36    HA   GLU   5           HA       GLU   5   3.330  -1.448  -5.536
   37    HB2  GLU   5           HB3      GLU   5   5.371  -0.650  -4.321
   38    HB3  GLU   5           HB2      GLU   5   3.924   0.324  -4.060
   39    HG2  GLU   5           HG3      GLU   5   3.780  -1.461  -2.005
   40    HG3  GLU   5           HG2      GLU   5   5.520  -1.228  -2.168
   41    H    ASN   6           H        ASN   6   4.280  -3.064  -6.515
   42    HA   ASN   6           HA       ASN   6   5.203  -5.110  -6.912
   43    HB2  ASN   6           HB3      ASN   6   7.000  -3.428  -5.700
   44    HB3  ASN   6           HB2      ASN   6   7.145  -4.896  -4.729
   45   HD21  ASN   6          HD21      ASN   6   7.102  -3.753  -8.075
   46   HD22  ASN   6          HD22      ASN   6   8.218  -4.927  -8.675
   47    H    GLY   7           H        GLY   7   2.977  -5.363  -5.101
   48    HA2  GLY   7           HA3      GLY   7   2.161  -7.393  -4.204
   49    HA3  GLY   7           HA2      GLY   7   3.806  -7.889  -3.892
   50    H    LYS   8           H        LYS   8   2.887  -4.709  -2.822
   51    HA   LYS   8           HA       LYS   8   2.299  -5.741  -0.150
   52    HB2  LYS   8           HB3      LYS   8   4.780  -4.407  -0.943
   53    HB3  LYS   8           HB2      LYS   8   4.004  -3.668   0.451
   54    HG2  LYS   8           HG3      LYS   8   4.423  -6.626   0.339
   55    HG3  LYS   8           HG2      LYS   8   5.732  -5.544   0.817
   56    HD2  LYS   8           HD3      LYS   8   3.008  -5.525   2.103
   57    HD3  LYS   8           HD2      LYS   8   4.362  -6.481   2.709
   58    HE2  LYS   8           HE3      LYS   8   4.967  -3.651   2.204
   59    HE3  LYS   8           HE2      LYS   8   3.789  -3.940   3.484
   60    HZ1  LYS   8           HZ1      LYS   8   5.696  -4.091   4.677
   61    HZ2  LYS   8           HZ2      LYS   8   6.624  -4.640   3.374
   62    HZ3  LYS   8           HZ3      LYS   8   5.593  -5.707   4.186
   63    H    TRP   9           H        TRP   9   0.808  -4.637   0.905
   64    HA   TRP   9           HA       TRP   9  -0.256  -2.185  -0.275
   65    HB2  TRP   9           HB3      TRP   9  -1.259  -4.233   1.664
   66    HB3  TRP   9           HB2      TRP   9  -1.973  -2.637   1.693
   67    HD1  TRP   9           HD1      TRP   9  -2.435  -5.854   0.209
   68    HE1  TRP   9           HE1      TRP   9  -3.978  -5.770  -1.854
   69    HE3  TRP   9           HE3      TRP   9  -2.431  -0.815  -0.569
   70    HZ2  TRP   9           HZ2      TRP   9  -5.052  -3.806  -3.577
   71    HZ3  TRP   9           HZ3      TRP   9  -3.741   0.091  -2.442
   72    HH2  TRP   9           HH2      TRP   9  -5.026  -1.374  -3.912
   73    H    THR  10           H        THR  10   0.164  -0.217   0.564
   74    HA   THR  10           HA       THR  10   1.122  -0.065   3.345
   75    HB   THR  10           HB       THR  10   2.153   1.895   1.354
   76    HG1  THR  10           HG1      THR  10   2.498  -0.087   0.318
   77   HG21  THR  10          HG21      THR  10   2.715   1.969   3.798
   78   HG22  THR  10          HG22      THR  10   4.092   1.928   2.696
   79   HG23  THR  10          HG23      THR  10   3.607   0.467   3.557
   80    H    TRP  11           H        TRP  11   0.477   1.707   4.546
   81    HA   TRP  11           HA       TRP  11  -1.825   3.136   3.476
   82    HB2  TRP  11           HB3      TRP  11  -2.004   2.073   5.696
   83    HB3  TRP  11           HB2      TRP  11  -0.690   3.094   6.284
   84    HD1  TRP  11           HD1      TRP  11  -1.302   5.495   7.089
   85    HE1  TRP  11           HE1      TRP  11  -3.508   6.800   7.319
   86    HE3  TRP  11           HE3      TRP  11  -4.387   2.346   4.493
   87    HZ2  TRP  11           HZ2      TRP  11  -6.198   6.531   6.510
   88    HZ3  TRP  11           HZ3      TRP  11  -6.762   2.945   4.269
   89    HH2  TRP  11           HH2      TRP  11  -7.648   4.994   5.257
   90    H    LYS  12           H        LYS  12  -1.169   4.803   2.227
   91    HA   LYS  12           HA       LYS  12  -0.209   7.156   3.416
   92    HB2  LYS  12           HB3      LYS  12   1.882   5.552   3.203
   93    HB3  LYS  12           HB2      LYS  12   1.865   6.113   1.537
   94    HG2  LYS  12           HG3      LYS  12   3.272   7.644   2.466
   95    HG3  LYS  12           HG2      LYS  12   1.730   8.478   2.673
   96    HD2  LYS  12           HD3      LYS  12   1.796   7.047   4.952
   97    HD3  LYS  12           HD2      LYS  12   3.526   7.273   4.685
   98    HE2  LYS  12           HE3      LYS  12   2.577   9.772   4.190
   99    HE3  LYS  12           HE2      LYS  12   1.454   9.217   5.432
  100    HZ1  LYS  12           HZ1      LYS  12   3.064   9.970   6.788
  101    HZ2  LYS  12           HZ2      LYS  12   4.288   9.820   5.630
  102    HZ3  LYS  12           HZ3      LYS  12   3.770   8.461   6.492
  Start of MODEL    3
    1    H1   SER   1           HT1      SER   1  -6.194   6.606   3.043
    2    H2   SER   1           HT2      SER   1  -4.600   6.730   2.419
    3    H3   SER   1           HT3      SER   1  -4.956   5.586   3.648
    4    HA   SER   1           HA       SER   1  -6.597   4.627   2.023
    5    HB2  SER   1           HB3      SER   1  -6.072   6.805   0.578
    6    HB3  SER   1           HB2      SER   1  -4.794   5.774  -0.064
    7    HG   SER   1           HG       SER   1  -7.463   5.708  -0.535
    8    H    TRP   2           H        TRP   2  -5.672   2.971   0.387
    9    HA   TRP   2           HA       TRP   2  -3.157   1.938   1.528
   10    HB2  TRP   2           HB3      TRP   2  -5.578   0.570   0.367
   11    HB3  TRP   2           HB2      TRP   2  -4.041  -0.267   0.553
   12    HD1  TRP   2           HD1      TRP   2  -7.143   0.249   2.388
   13    HE1  TRP   2           HE1      TRP   2  -6.827  -0.251   4.897
   14    HE3  TRP   2           HE3      TRP   2  -2.058   0.231   2.549
   15    HZ2  TRP   2           HZ2      TRP   2  -4.673  -0.596   6.710
   16    HZ3  TRP   2           HZ3      TRP   2  -0.938  -0.172   4.685
   17    HH2  TRP   2           HH2      TRP   2  -2.214  -0.583   6.733
   18    H    THR   3           H        THR   3  -1.444   1.664   0.261
   19    HA   THR   3           HA       THR   3  -1.794   1.951  -2.650
   20    HB   THR   3           HB       THR   3  -0.533   3.817  -1.867
   21    HG1  THR   3           HG1      THR   3   1.376   1.916  -2.742
   22   HG21  THR   3          HG21      THR   3   1.767   3.167  -0.717
   23   HG22  THR   3          HG22      THR   3   0.775   1.849  -0.094
   24   HG23  THR   3          HG23      THR   3   0.309   3.523   0.209
   25    H    TRP   4           H        TRP   4  -1.176   0.273  -3.886
   26    HA   TRP   4           HA       TRP   4   0.167  -1.961  -2.549
   27    HB2  TRP   4           HB3      TRP   4  -1.900  -2.620  -3.468
   28    HB3  TRP   4           HB2      TRP   4  -1.643  -1.692  -4.936
   29    HD1  TRP   4           HD1      TRP   4  -0.164  -2.797  -6.840
   30    HE1  TRP   4           HE1      TRP   4   0.462  -5.259  -7.305
   31    HE3  TRP   4           HE3      TRP   4  -1.282  -4.776  -2.277
   32    HZ2  TRP   4           HZ2      TRP   4   0.471  -7.717  -5.900
   33    HZ3  TRP   4           HZ3      TRP   4  -0.935  -7.180  -1.903
   34    HH2  TRP   4           HH2      TRP   4  -0.080  -8.623  -3.681
   35    H    GLU   5           H        GLU   5   2.218  -2.474  -3.060
   36    HA   GLU   5           HA       GLU   5   3.299  -1.607  -5.636
   37    HB2  GLU   5           HB3      GLU   5   4.284  -0.780  -2.934
   38    HB3  GLU   5           HB2      GLU   5   5.427  -0.950  -4.267
   39    HG2  GLU   5           HG3      GLU   5   4.530   0.812  -5.438
   40    HG3  GLU   5           HG2      GLU   5   2.958   0.677  -4.651
   41    H    ASN   6           H        ASN   6   4.221  -3.251  -6.599
   42    HA   ASN   6           HA       ASN   6   5.134  -5.308  -6.966
   43    HB2  ASN   6           HB3      ASN   6   7.011  -3.673  -6.156
   44    HB3  ASN   6           HB2      ASN   6   7.053  -4.733  -4.744
   45   HD21  ASN   6          HD21      ASN   6   6.956  -4.966  -8.287
   46   HD22  ASN   6          HD22      ASN   6   8.115  -6.241  -8.403
   47    H    GLY   7           H        GLY   7   2.949  -5.510  -5.102
   48    HA2  GLY   7           HA3      GLY   7   2.151  -7.515  -4.135
   49    HA3  GLY   7           HA2      GLY   7   3.802  -8.004  -3.841
   50    H    LYS   8           H        LYS   8   2.900  -4.795  -2.840
   51    HA   LYS   8           HA       LYS   8   2.383  -5.760  -0.127
   52    HB2  LYS   8           HB3      LYS   8   4.830  -4.450  -1.019
   53    HB3  LYS   8           HB2      LYS   8   4.075  -3.623   0.337
   54    HG2  LYS   8           HG3      LYS   8   4.268  -6.547   0.588
   55    HG3  LYS   8           HG2      LYS   8   5.801  -5.673   0.586
   56    HD2  LYS   8           HD3      LYS   8   5.416  -4.743   2.602
   57    HD3  LYS   8           HD2      LYS   8   3.702  -4.487   2.267
   58    HE2  LYS   8           HE3      LYS   8   3.525  -7.060   2.511
   59    HE3  LYS   8           HE2      LYS   8   5.081  -6.924   3.329
   60    HZ1  LYS   8           HZ1      LYS   8   3.072  -6.849   4.799
   61    HZ2  LYS   8           HZ2      LYS   8   2.703  -5.344   4.123
   62    HZ3  LYS   8           HZ3      LYS   8   4.143  -5.552   4.985
   63    H    TRP   9           H        TRP   9   0.905  -4.650   0.940
   64    HA   TRP   9           HA       TRP   9  -0.218  -2.236  -0.273
   65    HB2  TRP   9           HB3      TRP   9  -1.175  -4.273   1.701
   66    HB3  TRP   9           HB2      TRP   9  -1.912  -2.687   1.714
   67    HD1  TRP   9           HD1      TRP   9  -2.364  -5.929   0.297
   68    HE1  TRP   9           HE1      TRP   9  -3.917  -5.897  -1.760
   69    HE3  TRP   9           HE3      TRP   9  -2.383  -0.908  -0.593
   70    HZ2  TRP   9           HZ2      TRP   9  -5.007  -3.977  -3.521
   71    HZ3  TRP   9           HZ3      TRP   9  -3.706  -0.050  -2.480
   72    HH2  TRP   9           HH2      TRP   9  -4.993  -1.552  -3.911
   73    H    THR  10           H        THR  10   0.183  -0.250   0.541
   74    HA   THR  10           HA       THR  10   1.162  -0.057   3.313
   75    HB   THR  10           HB       THR  10   2.157   1.936   1.356
   76    HG1  THR  10           HG1      THR  10   3.169  -0.711   1.455
   77   HG21  THR  10          HG21      THR  10   4.278   1.550   2.597
   78   HG22  THR  10          HG22      THR  10   3.397   0.438   3.646
   79   HG23  THR  10          HG23      THR  10   2.945   2.142   3.589
   80    H    TRP  11           H        TRP  11   0.544   1.755   4.490
   81    HA   TRP  11           HA       TRP  11  -1.784   3.154   3.411
   82    HB2  TRP  11           HB3      TRP  11  -1.986   2.068   5.620
   83    HB3  TRP  11           HB2      TRP  11  -0.690   3.096   6.235
   84    HD1  TRP  11           HD1      TRP  11  -1.327   5.506   7.013
   85    HE1  TRP  11           HE1      TRP  11  -3.552   6.782   7.232
   86    HE3  TRP  11           HE3      TRP  11  -4.364   2.300   4.429
   87    HZ2  TRP  11           HZ2      TRP  11  -6.236   6.472   6.418
   88    HZ3  TRP  11           HZ3      TRP  11  -6.746   2.865   4.196
   89    HH2  TRP  11           HH2      TRP  11  -7.662   4.908   5.171
   90    H    LYS  12           H        LYS  12  -1.263   4.921   2.281
   91    HA   LYS  12           HA       LYS  12  -0.205   7.202   3.527
   92    HB2  LYS  12           HB3      LYS  12   1.851   5.590   3.039
   93    HB3  LYS  12           HB2      LYS  12   1.719   6.301   1.436
   94    HG2  LYS  12           HG3      LYS  12   1.754   8.560   2.662
   95    HG3  LYS  12           HG2      LYS  12   2.361   7.635   4.036
   96    HD2  LYS  12           HD3      LYS  12   4.382   7.316   3.089
   97    HD3  LYS  12           HD2      LYS  12   3.701   7.086   1.477
   98    HE2  LYS  12           HE3      LYS  12   3.557   9.411   1.098
   99    HE3  LYS  12           HE2      LYS  12   3.830   9.782   2.800
  100    HZ1  LYS  12           HZ1      LYS  12   5.939   8.292   1.467
  101    HZ2  LYS  12           HZ2      LYS  12   6.046   9.557   2.585
  102    HZ3  LYS  12           HZ3      LYS  12   5.735   9.893   0.956
  Start of MODEL    4
    1    H1   SER   1           HT1      SER   1  -5.058   5.512   3.567
    2    H2   SER   1           HT2      SER   1  -6.338   6.487   2.968
    3    H3   SER   1           HT3      SER   1  -4.755   6.653   2.325
    4    HA   SER   1           HA       SER   1  -6.699   4.498   1.965
    5    HB2  SER   1           HB3      SER   1  -5.732   4.921  -0.433
    6    HB3  SER   1           HB2      SER   1  -6.872   6.077   0.255
    7    HG   SER   1           HG       SER   1  -4.042   6.309   0.267
    8    H    TRP   2           H        TRP   2  -5.725   2.861   0.317
    9    HA   TRP   2           HA       TRP   2  -3.207   1.872   1.490
   10    HB2  TRP   2           HB3      TRP   2  -5.584   0.460   0.291
   11    HB3  TRP   2           HB2      TRP   2  -4.035  -0.347   0.501
   12    HD1  TRP   2           HD1      TRP   2  -7.177   0.106   2.283
   13    HE1  TRP   2           HE1      TRP   2  -6.894  -0.391   4.798
   14    HE3  TRP   2           HE3      TRP   2  -2.095   0.188   2.533
   15    HZ2  TRP   2           HZ2      TRP   2  -4.765  -0.696   6.646
   16    HZ3  TRP   2           HZ3      TRP   2  -1.005  -0.196   4.687
   17    HH2  TRP   2           HH2      TRP   2  -2.307  -0.635   6.712
   18    H    THR   3           H        THR   3  -1.473   1.632   0.246
   19    HA   THR   3           HA       THR   3  -1.784   1.938  -2.666
   20    HB   THR   3           HB       THR   3  -0.540   3.798  -1.840
   21    HG1  THR   3           HG1      THR   3   1.177   3.578  -3.089
   22   HG21  THR   3          HG21      THR   3   0.785   1.802  -0.099
   23   HG22  THR   3          HG22      THR   3   0.254   3.446   0.254
   24   HG23  THR   3          HG23      THR   3   1.736   3.176  -0.663
   25    H    TRP   4           H        TRP   4  -1.145   0.277  -3.914
   26    HA   TRP   4           HA       TRP   4   0.189  -1.966  -2.587
   27    HB2  TRP   4           HB3      TRP   4  -1.878  -2.610  -3.531
   28    HB3  TRP   4           HB2      TRP   4  -1.587  -1.694  -5.002
   29    HD1  TRP   4           HD1      TRP   4  -0.117  -2.817  -6.873
   30    HE1  TRP   4           HE1      TRP   4   0.554  -5.276  -7.300
   31    HE3  TRP   4           HE3      TRP   4  -1.212  -4.741  -2.285
   32    HZ2  TRP   4           HZ2      TRP   4   0.604  -7.712  -5.852
   33    HZ3  TRP   4           HZ3      TRP   4  -0.824  -7.131  -1.868
   34    HH2  TRP   4           HH2      TRP   4   0.062  -8.589  -3.619
   35    H    GLU   5           H        GLU   5   2.240  -2.494  -3.107
   36    HA   GLU   5           HA       GLU   5   3.332  -1.558  -5.656
   37    HB2  GLU   5           HB3      GLU   5   3.796  -0.097  -3.449
   38    HB3  GLU   5           HB2      GLU   5   5.120  -1.254  -3.315
   39    HG2  GLU   5           HG3      GLU   5   6.263  -0.308  -4.976
   40    HG3  GLU   5           HG2      GLU   5   4.832  -0.143  -5.992
   41    H    ASN   6           H        ASN   6   3.967  -3.326  -6.640
   42    HA   ASN   6           HA       ASN   6   4.808  -5.404  -7.046
   43    HB2  ASN   6           HB3      ASN   6   6.782  -3.702  -6.369
   44    HB3  ASN   6           HB2      ASN   6   7.047  -4.966  -5.164
   45   HD21  ASN   6          HD21      ASN   6   6.570  -4.463  -8.632
   46   HD22  ASN   6          HD22      ASN   6   7.587  -5.765  -9.139
   47    H    GLY   7           H        GLY   7   2.845  -5.686  -5.082
   48    HA2  GLY   7           HA3      GLY   7   2.242  -7.677  -3.961
   49    HA3  GLY   7           HA2      GLY   7   3.936  -8.027  -3.720
   50    H    LYS   8           H        LYS   8   2.844  -4.836  -2.845
   51    HA   LYS   8           HA       LYS   8   2.473  -5.683  -0.074
   52    HB2  LYS   8           HB3      LYS   8   4.805  -4.191  -1.100
   53    HB3  LYS   8           HB2      LYS   8   4.091  -3.564   0.379
   54    HG2  LYS   8           HG3      LYS   8   4.741  -6.470   0.130
   55    HG3  LYS   8           HG2      LYS   8   5.998  -5.297   0.526
   56    HD2  LYS   8           HD3      LYS   8   5.220  -4.989   2.614
   57    HD3  LYS   8           HD2      LYS   8   3.535  -5.009   2.091
   58    HE2  LYS   8           HE3      LYS   8   3.775  -6.901   3.463
   59    HE3  LYS   8           HE2      LYS   8   3.811  -7.520   1.813
   60    HZ1  LYS   8           HZ1      LYS   8   5.549  -8.586   2.946
   61    HZ2  LYS   8           HZ2      LYS   8   6.086  -7.157   3.672
   62    HZ3  LYS   8           HZ3      LYS   8   6.307  -7.396   2.012
   63    H    TRP   9           H        TRP   9   0.986  -4.582   0.975
   64    HA   TRP   9           HA       TRP   9  -0.195  -2.211  -0.281
   65    HB2  TRP   9           HB3      TRP   9  -1.139  -4.263   1.684
   66    HB3  TRP   9           HB2      TRP   9  -1.903  -2.690   1.687
   67    HD1  TRP   9           HD1      TRP   9  -2.310  -5.938   0.285
   68    HE1  TRP   9           HE1      TRP   9  -3.831  -5.933  -1.797
   69    HE3  TRP   9           HE3      TRP   9  -2.343  -0.926  -0.652
   70    HZ2  TRP   9           HZ2      TRP   9  -4.904  -4.035  -3.592
   71    HZ3  TRP   9           HZ3      TRP   9  -3.641  -0.092  -2.567
   72    HH2  TRP   9           HH2      TRP   9  -4.897  -1.613  -4.004
   73    H    THR  10           H        THR  10   0.161  -0.216   0.539
   74    HA   THR  10           HA       THR  10   1.110  -0.012   3.321
   75    HB   THR  10           HB       THR  10   2.111   2.067   1.507
   76    HG1  THR  10           HG1      THR  10   2.809  -0.644   1.134
   77   HG21  THR  10          HG21      THR  10   2.854   1.688   3.870
   78   HG22  THR  10          HG22      THR  10   4.144   1.797   2.673
   79   HG23  THR  10          HG23      THR  10   3.655   0.224   3.302
   80    H    TRP  11           H        TRP  11   0.550   1.879   4.456
   81    HA   TRP  11           HA       TRP  11  -1.779   3.268   3.328
   82    HB2  TRP  11           HB3      TRP  11  -2.129   2.075   5.465
   83    HB3  TRP  11           HB2      TRP  11  -0.877   3.069   6.212
   84    HD1  TRP  11           HD1      TRP  11  -1.515   5.557   6.867
   85    HE1  TRP  11           HE1      TRP  11  -3.768   6.785   7.066
   86    HE3  TRP  11           HE3      TRP  11  -4.489   2.211   4.390
   87    HZ2  TRP  11           HZ2      TRP  11  -6.449   6.390   6.279
   88    HZ3  TRP  11           HZ3      TRP  11  -6.886   2.713   4.159
   89    HH2  TRP  11           HH2      TRP  11  -7.844   4.759   5.084
   90    H    LYS  12           H        LYS  12  -1.018   5.001   2.236
   91    HA   LYS  12           HA       LYS  12  -0.101   7.252   3.669
   92    HB2  LYS  12           HB3      LYS  12   1.967   5.578   3.267
   93    HB3  LYS  12           HB2      LYS  12   2.019   6.463   1.749
   94    HG2  LYS  12           HG3      LYS  12   3.333   7.862   2.911
   95    HG3  LYS  12           HG2      LYS  12   1.797   8.510   3.490
   96    HD2  LYS  12           HD3      LYS  12   2.099   7.701   5.572
   97    HD3  LYS  12           HD2      LYS  12   2.811   6.195   4.991
   98    HE2  LYS  12           HE3      LYS  12   4.934   7.275   4.641
   99    HE3  LYS  12           HE2      LYS  12   4.243   8.848   5.037
  100    HZ1  LYS  12           HZ1      LYS  12   3.959   6.783   7.063
  101    HZ2  LYS  12           HZ2      LYS  12   4.319   8.427   7.234
  102    HZ3  LYS  12           HZ3      LYS  12   5.535   7.337   6.793
  Start of MODEL    5
    1    H1   SER   1           HT1      SER   1  -4.583   7.024   2.339
    2    H2   SER   1           HT2      SER   1  -4.553   6.009   3.722
    3    H3   SER   1           HT3      SER   1  -5.960   6.921   3.355
    4    HA   SER   1           HA       SER   1  -6.530   4.868   2.644
    5    HB2  SER   1           HB3      SER   1  -5.184   6.100   0.226
    6    HB3  SER   1           HB2      SER   1  -6.594   5.041   0.233
    7    HG   SER   1           HG       SER   1  -6.666   7.602   0.245
    8    H    TRP   2           H        TRP   2  -5.845   3.142   0.821
    9    HA   TRP   2           HA       TRP   2  -3.225   2.119   1.708
   10    HB2  TRP   2           HB3      TRP   2  -5.780   0.759   0.890
   11    HB3  TRP   2           HB2      TRP   2  -4.245  -0.097   0.851
   12    HD1  TRP   2           HD1      TRP   2  -7.033   0.491   3.129
   13    HE1  TRP   2           HE1      TRP   2  -6.351  -0.015   5.564
   14    HE3  TRP   2           HE3      TRP   2  -1.987   0.351   2.514
   15    HZ2  TRP   2           HZ2      TRP   2  -3.953  -0.409   7.029
   16    HZ3  TRP   2           HZ3      TRP   2  -0.563  -0.074   4.454
   17    HH2  TRP   2           HH2      TRP   2  -1.518  -0.454   6.676
   18    H    THR   3           H        THR   3  -1.662   1.804   0.278
   19    HA   THR   3           HA       THR   3  -2.325   1.887  -2.592
   20    HB   THR   3           HB       THR   3  -1.194   3.941  -2.040
   21    HG1  THR   3           HG1      THR   3   0.098   3.758  -3.674
   22   HG21  THR   3          HG21      THR   3   1.145   3.883  -1.139
   23   HG22  THR   3          HG22      THR   3   0.840   2.211  -0.670
   24   HG23  THR   3          HG23      THR   3  -0.129   3.512   0.022
   25    H    TRP   4           H        TRP   4  -1.652   0.159  -3.743
   26    HA   TRP   4           HA       TRP   4  -0.132  -1.882  -2.337
   27    HB2  TRP   4           HB3      TRP   4  -2.068  -2.705  -3.388
   28    HB3  TRP   4           HB2      TRP   4  -1.787  -1.767  -4.844
   29    HD1  TRP   4           HD1      TRP   4   0.203  -2.697  -6.485
   30    HE1  TRP   4           HE1      TRP   4   0.907  -5.137  -6.953
   31    HE3  TRP   4           HE3      TRP   4  -1.810  -4.908  -2.359
   32    HZ2  TRP   4           HZ2      TRP   4   0.628  -7.669  -5.715
   33    HZ3  TRP   4           HZ3      TRP   4  -1.556  -7.339  -2.064
   34    HH2  TRP   4           HH2      TRP   4  -0.359  -8.690  -3.710
   35    H    GLU   5           H        GLU   5   1.969  -2.242  -2.666
   36    HA   GLU   5           HA       GLU   5   3.210  -1.397  -5.175
   37    HB2  GLU   5           HB3      GLU   5   3.817  -0.316  -2.467
   38    HB3  GLU   5           HB2      GLU   5   5.160  -0.563  -3.583
   39    HG2  GLU   5           HG3      GLU   5   4.445   1.062  -5.023
   40    HG3  GLU   5           HG2      GLU   5   2.755   0.894  -4.549
   41    H    ASN   6           H        ASN   6   4.947  -2.579  -5.823
   42    HA   ASN   6           HA       ASN   6   6.155  -4.505  -6.054
   43    HB2  ASN   6           HB3      ASN   6   7.270  -2.912  -4.192
   44    HB3  ASN   6           HB2      ASN   6   7.035  -4.373  -3.229
   45   HD21  ASN   6          HD21      ASN   6   7.960  -3.740  -6.599
   46   HD22  ASN   6          HD22      ASN   6   9.400  -4.693  -6.560
   47    H    GLY   7           H        GLY   7   3.458  -5.062  -5.284
   48    HA2  GLY   7           HA3      GLY   7   2.334  -7.032  -4.841
   49    HA3  GLY   7           HA2      GLY   7   3.856  -7.758  -4.374
   50    H    LYS   8           H        LYS   8   2.983  -4.794  -2.807
   51    HA   LYS   8           HA       LYS   8   1.812  -6.228  -0.545
   52    HB2  LYS   8           HB3      LYS   8   4.528  -5.474  -0.611
   53    HB3  LYS   8           HB2      LYS   8   3.731  -4.346   0.477
   54    HG2  LYS   8           HG3      LYS   8   3.356  -7.312   0.717
   55    HG3  LYS   8           HG2      LYS   8   4.702  -6.468   1.486
   56    HD2  LYS   8           HD3      LYS   8   3.390  -5.601   3.088
   57    HD3  LYS   8           HD2      LYS   8   2.100  -5.212   1.948
   58    HE2  LYS   8           HE3      LYS   8   1.636  -7.740   1.933
   59    HE3  LYS   8           HE2      LYS   8   2.625  -7.789   3.392
   60    HZ1  LYS   8           HZ1      LYS   8  -0.000  -7.377   3.408
   61    HZ2  LYS   8           HZ2      LYS   8   0.535  -5.774   3.347
   62    HZ3  LYS   8           HZ3      LYS   8   1.038  -6.786   4.606
   63    H    TRP   9           H        TRP   9   0.501  -5.013   0.774
   64    HA   TRP   9           HA       TRP   9  -0.432  -2.503  -0.331
   65    HB2  TRP   9           HB3      TRP   9  -1.381  -4.416   1.762
   66    HB3  TRP   9           HB2      TRP   9  -1.995  -2.782   1.791
   67    HD1  TRP   9           HD1      TRP   9  -2.589  -6.026   0.317
   68    HE1  TRP   9           HE1      TRP   9  -4.353  -5.915  -1.561
   69    HE3  TRP   9           HE3      TRP   9  -2.779  -0.969  -0.272
   70    HZ2  TRP   9           HZ2      TRP   9  -5.653  -3.921  -3.082
   71    HZ3  TRP   9           HZ3      TRP   9  -4.307  -0.033  -1.955
   72    HH2  TRP   9           HH2      TRP   9  -5.716  -1.478  -3.328
   73    H    THR  10           H        THR  10   0.153  -0.538   0.367
   74    HA   THR  10           HA       THR  10   1.346  -0.296   3.047
   75    HB   THR  10           HB       THR  10   2.666   1.655   1.789
   76    HG1  THR  10           HG1      THR  10   3.038   1.236  -0.288
   77   HG21  THR  10          HG21      THR  10   4.201  -0.558   1.071
   78   HG22  THR  10          HG22      THR  10   3.312  -1.043   2.516
   79   HG23  THR  10          HG23      THR  10   4.321   0.404   2.545
   80    H    TRP  11           H        TRP  11   0.887   1.571   4.193
   81    HA   TRP  11           HA       TRP  11  -1.448   3.035   3.263
   82    HB2  TRP  11           HB3      TRP  11  -1.430   2.167   5.563
   83    HB3  TRP  11           HB2      TRP  11   0.004   3.131   5.919
   84    HD1  TRP  11           HD1      TRP  11  -0.350   5.661   6.513
   85    HE1  TRP  11           HE1      TRP  11  -2.435   7.109   6.933
   86    HE3  TRP  11           HE3      TRP  11  -3.934   2.461   4.753
   87    HZ2  TRP  11           HZ2      TRP  11  -5.227   6.922   6.569
   88    HZ3  TRP  11           HZ3      TRP  11  -6.287   3.175   4.826
   89    HH2  TRP  11           HH2      TRP  11  -6.919   5.359   5.716
   90    H    LYS  12           H        LYS  12  -0.887   4.575   1.818
   91    HA   LYS  12           HA       LYS  12   0.271   6.971   2.692
   92    HB2  LYS  12           HB3      LYS  12   2.255   5.182   2.295
   93    HB3  LYS  12           HB2      LYS  12   2.121   5.847   0.672
   94    HG2  LYS  12           HG3      LYS  12   2.555   8.061   1.476
   95    HG3  LYS  12           HG2      LYS  12   2.494   7.512   3.152
   96    HD2  LYS  12           HD3      LYS  12   4.520   6.357   2.969
   97    HD3  LYS  12           HD2      LYS  12   4.461   6.352   1.205
   98    HE2  LYS  12           HE3      LYS  12   4.602   8.946   2.681
   99    HE3  LYS  12           HE2      LYS  12   6.064   7.985   2.461
  100    HZ1  LYS  12           HZ1      LYS  12   6.075   8.338   0.230
  101    HZ2  LYS  12           HZ2      LYS  12   5.320   9.774   0.709
  102    HZ3  LYS  12           HZ3      LYS  12   4.393   8.491   0.113
  Start of MODEL    6
    1    H1   SER   1           HT1      SER   1  -4.536   6.791   2.446
    2    H2   SER   1           HT2      SER   1  -4.887   5.640   3.670
    3    H3   SER   1           HT3      SER   1  -6.125   6.671   3.078
    4    HA   SER   1           HA       SER   1  -6.549   4.704   2.048
    5    HB2  SER   1           HB3      SER   1  -4.722   5.913  -0.002
    6    HB3  SER   1           HB2      SER   1  -6.365   5.302  -0.194
    7    HG   SER   1           HG       SER   1  -5.522   7.738   0.971
    8    H    TRP   2           H        TRP   2  -5.642   3.046   0.401
    9    HA   TRP   2           HA       TRP   2  -3.137   1.981   1.537
   10    HB2  TRP   2           HB3      TRP   2  -5.569   0.642   0.365
   11    HB3  TRP   2           HB2      TRP   2  -4.042  -0.210   0.553
   12    HD1  TRP   2           HD1      TRP   2  -7.146   0.331   2.379
   13    HE1  TRP   2           HE1      TRP   2  -6.843  -0.182   4.888
   14    HE3  TRP   2           HE3      TRP   2  -2.062   0.258   2.557
   15    HZ2  TRP   2           HZ2      TRP   2  -4.698  -0.557   6.706
   16    HZ3  TRP   2           HZ3      TRP   2  -0.953  -0.166   4.694
   17    HH2  TRP   2           HH2      TRP   2  -2.238  -0.571   6.736
   18    H    THR   3           H        THR   3  -1.428   1.696   0.268
   19    HA   THR   3           HA       THR   3  -1.774   1.992  -2.642
   20    HB   THR   3           HB       THR   3  -0.515   3.858  -1.770
   21    HG1  THR   3           HG1      THR   3   0.583   3.527  -3.522
   22   HG21  THR   3          HG21      THR   3   0.747   1.840  -0.090
   23   HG22  THR   3          HG22      THR   3   0.565   3.578   0.154
   24   HG23  THR   3          HG23      THR   3   1.884   2.960  -0.840
   25    H    TRP   4           H        TRP   4  -1.157   0.316  -3.879
   26    HA   TRP   4           HA       TRP   4   0.167  -1.929  -2.543
   27    HB2  TRP   4           HB3      TRP   4  -1.895  -2.566  -3.492
   28    HB3  TRP   4           HB2      TRP   4  -1.610  -1.634  -4.953
   29    HD1  TRP   4           HD1      TRP   4  -0.114  -2.742  -6.839
   30    HE1  TRP   4           HE1      TRP   4   0.498  -5.207  -7.308
   31    HE3  TRP   4           HE3      TRP   4  -1.311  -4.732  -2.302
   32    HZ2  TRP   4           HZ2      TRP   4   0.469  -7.670  -5.913
   33    HZ3  TRP   4           HZ3      TRP   4  -0.988  -7.140  -1.933
   34    HH2  TRP   4           HH2      TRP   4  -0.119  -8.582  -3.707
   35    H    GLU   5           H        GLU   5   2.223  -2.451  -3.033
   36    HA   GLU   5           HA       GLU   5   3.340  -1.569  -5.589
   37    HB2  GLU   5           HB3      GLU   5   5.430  -0.847  -4.312
   38    HB3  GLU   5           HB2      GLU   5   4.029   0.221  -4.242
   39    HG2  GLU   5           HG3      GLU   5   3.886  -1.643  -2.088
   40    HG3  GLU   5           HG2      GLU   5   5.486  -0.904  -2.108
   41    H    ASN   6           H        ASN   6   4.274  -3.202  -6.557
   42    HA   ASN   6           HA       ASN   6   5.180  -5.260  -6.937
   43    HB2  ASN   6           HB3      ASN   6   6.985  -4.220  -4.749
   44    HB3  ASN   6           HB2      ASN   6   7.370  -5.582  -5.806
   45   HD21  ASN   6          HD21      ASN   6   6.748  -4.868  -8.235
   46   HD22  ASN   6          HD22      ASN   6   7.560  -3.425  -8.728
   47    H    GLY   7           H        GLY   7   2.966  -5.470  -5.107
   48    HA2  GLY   7           HA3      GLY   7   2.137  -7.480  -4.180
   49    HA3  GLY   7           HA2      GLY   7   3.779  -7.989  -3.872
   50    H    LYS   8           H        LYS   8   2.902  -4.786  -2.834
   51    HA   LYS   8           HA       LYS   8   2.342  -5.784  -0.142
   52    HB2  LYS   8           HB3      LYS   8   4.693  -5.508  -0.035
   53    HB3  LYS   8           HB2      LYS   8   4.630  -3.975  -0.892
   54    HG2  LYS   8           HG3      LYS   8   4.034  -2.802   0.959
   55    HG3  LYS   8           HG2      LYS   8   3.194  -4.168   1.695
   56    HD2  LYS   8           HD3      LYS   8   6.169  -4.222   1.356
   57    HD3  LYS   8           HD2      LYS   8   5.441  -3.360   2.713
   58    HE2  LYS   8           HE3      LYS   8   5.536  -5.344   3.755
   59    HE3  LYS   8           HE2      LYS   8   4.109  -5.733   2.795
   60    HZ1  LYS   8           HZ1      LYS   8   6.701  -6.195   1.545
   61    HZ2  LYS   8           HZ2      LYS   8   5.276  -7.101   1.448
   62    HZ3  LYS   8           HZ3      LYS   8   6.274  -7.238   2.807
   63    H    TRP   9           H        TRP   9   0.877  -4.657   0.939
   64    HA   TRP   9           HA       TRP   9  -0.227  -2.235  -0.276
   65    HB2  TRP   9           HB3      TRP   9  -1.208  -4.273   1.684
   66    HB3  TRP   9           HB2      TRP   9  -1.928  -2.680   1.710
   67    HD1  TRP   9           HD1      TRP   9  -2.406  -5.906   0.260
   68    HE1  TRP   9           HE1      TRP   9  -3.958  -5.840  -1.797
   69    HE3  TRP   9           HE3      TRP   9  -2.387  -0.876  -0.578
   70    HZ2  TRP   9           HZ2      TRP   9  -5.032  -3.893  -3.539
   71    HZ3  TRP   9           HZ3      TRP   9  -3.702   0.012  -2.457
   72    HH2  TRP   9           HH2      TRP   9  -4.999  -1.465  -3.903
   73    H    THR  10           H        THR  10   0.187  -0.254   0.545
   74    HA   THR  10           HA       THR  10   1.157  -0.075   3.321
   75    HB   THR  10           HB       THR  10   2.177   1.909   1.367
   76    HG1  THR  10           HG1      THR  10   2.458  -0.024   0.225
   77   HG21  THR  10          HG21      THR  10   2.924   0.867   3.950
   78   HG22  THR  10          HG22      THR  10   3.431   2.347   3.136
   79   HG23  THR  10          HG23      THR  10   4.272   0.831   2.814
   80    H    TRP  11           H        TRP  11   0.530   1.722   4.505
   81    HA   TRP  11           HA       TRP  11  -1.786   3.133   3.431
   82    HB2  TRP  11           HB3      TRP  11  -1.965   2.077   5.654
   83    HB3  TRP  11           HB2      TRP  11  -0.655   3.105   6.239
   84    HD1  TRP  11           HD1      TRP  11  -1.278   5.502   7.041
   85    HE1  TRP  11           HE1      TRP  11  -3.488   6.804   7.258
   86    HE3  TRP  11           HE3      TRP  11  -4.345   2.344   4.434
   87    HZ2  TRP  11           HZ2      TRP  11  -6.173   6.529   6.435
   88    HZ3  TRP  11           HZ3      TRP  11  -6.720   2.939   4.198
   89    HH2  TRP  11           HH2      TRP  11  -7.614   4.988   5.178
   90    H    LYS  12           H        LYS  12  -1.141   4.802   2.181
   91    HA   LYS  12           HA       LYS  12  -0.160   7.150   3.381
   92    HB2  LYS  12           HB3      LYS  12   1.920   5.536   3.075
   93    HB3  LYS  12           HB2      LYS  12   1.858   6.144   1.426
   94    HG2  LYS  12           HG3      LYS  12   3.397   7.484   2.646
   95    HG3  LYS  12           HG2      LYS  12   1.954   8.457   2.347
   96    HD2  LYS  12           HD3      LYS  12   1.303   7.382   4.726
   97    HD3  LYS  12           HD2      LYS  12   3.061   7.425   4.884
   98    HE2  LYS  12           HE3      LYS  12   2.855   9.859   4.066
   99    HE3  LYS  12           HE2      LYS  12   1.147   9.697   4.471
  100    HZ1  LYS  12           HZ1      LYS  12   3.107   8.900   6.490
  101    HZ2  LYS  12           HZ2      LYS  12   1.584   9.608   6.685
  102    HZ3  LYS  12           HZ3      LYS  12   2.901  10.556   6.209
  Start of MODEL    7
    1    H1   SER   1           HT1      SER   1  -4.850   5.694   3.708
    2    H2   SER   1           HT2      SER   1  -6.104   6.719   3.142
    3    H3   SER   1           HT3      SER   1  -4.527   6.842   2.477
    4    HA   SER   1           HA       SER   1  -6.548   4.758   2.117
    5    HB2  SER   1           HB3      SER   1  -4.837   6.502   0.332
    6    HB3  SER   1           HB2      SER   1  -5.811   5.165  -0.278
    7    HG   SER   1           HG       SER   1  -6.575   7.663   0.408
    8    H    TRP   2           H        TRP   2  -5.657   3.109   0.436
    9    HA   TRP   2           HA       TRP   2  -3.155   2.021   1.555
   10    HB2  TRP   2           HB3      TRP   2  -5.598   0.706   0.381
   11    HB3  TRP   2           HB2      TRP   2  -4.075  -0.157   0.555
   12    HD1  TRP   2           HD1      TRP   2  -7.168   0.382   2.397
   13    HE1  TRP   2           HE1      TRP   2  -6.860  -0.153   4.900
   14    HE3  TRP   2           HE3      TRP   2  -2.084   0.289   2.558
   15    HZ2  TRP   2           HZ2      TRP   2  -4.712  -0.550   6.708
   16    HZ3  TRP   2           HZ3      TRP   2  -0.970  -0.156   4.690
   17    HH2  TRP   2           HH2      TRP   2  -2.252  -0.573   6.732
   18    H    THR   3           H        THR   3  -1.451   1.734   0.281
   19    HA   THR   3           HA       THR   3  -1.805   2.044  -2.627
   20    HB   THR   3           HB       THR   3  -0.556   3.916  -1.730
   21    HG1  THR   3           HG1      THR   3   0.205   3.087  -3.698
   22   HG21  THR   3          HG21      THR   3   1.874   2.971  -0.879
   23   HG22  THR   3          HG22      THR   3   0.723   1.893  -0.090
   24   HG23  THR   3          HG23      THR   3   0.601   3.637   0.143
   25    H    TRP   4           H        TRP   4  -1.183   0.374  -3.867
   26    HA   TRP   4           HA       TRP   4   0.142  -1.873  -2.540
   27    HB2  TRP   4           HB3      TRP   4  -1.897  -2.519  -3.525
   28    HB3  TRP   4           HB2      TRP   4  -1.606  -1.561  -4.967
   29    HD1  TRP   4           HD1      TRP   4  -0.056  -2.622  -6.848
   30    HE1  TRP   4           HE1      TRP   4   0.577  -5.074  -7.351
   31    HE3  TRP   4           HE3      TRP   4  -1.339  -4.707  -2.376
   32    HZ2  TRP   4           HZ2      TRP   4   0.528  -7.565  -6.008
   33    HZ3  TRP   4           HZ3      TRP   4  -1.014  -7.121  -2.050
   34    HH2  TRP   4           HH2      TRP   4  -0.102  -8.523  -3.833
   35    H    GLU   5           H        GLU   5   2.206  -2.387  -3.005
   36    HA   GLU   5           HA       GLU   5   3.358  -1.473  -5.534
   37    HB2  GLU   5           HB3      GLU   5   4.787  -1.030  -2.918
   38    HB3  GLU   5           HB2      GLU   5   5.244  -0.440  -4.516
   39    HG2  GLU   5           HG3      GLU   5   3.457   1.114  -4.548
   40    HG3  GLU   5           HG2      GLU   5   2.712   0.388  -3.125
   41    H    ASN   6           H        ASN   6   4.310  -3.090  -6.506
   42    HA   ASN   6           HA       ASN   6   5.228  -5.140  -6.899
   43    HB2  ASN   6           HB3      ASN   6   6.970  -3.819  -4.860
   44    HB3  ASN   6           HB2      ASN   6   7.351  -5.460  -5.391
   45   HD21  ASN   6          HD21      ASN   6   7.409  -5.750  -7.795
   46   HD22  ASN   6          HD22      ASN   6   8.145  -4.491  -8.721
   47    H    GLY   7           H        GLY   7   2.989  -5.385  -5.103
   48    HA2  GLY   7           HA3      GLY   7   2.159  -7.413  -4.215
   49    HA3  GLY   7           HA2      GLY   7   3.800  -7.916  -3.891
   50    H    LYS   8           H        LYS   8   2.884  -4.734  -2.820
   51    HA   LYS   8           HA       LYS   8   2.265  -5.770  -0.157
   52    HB2  LYS   8           HB3      LYS   8   4.698  -4.222  -0.891
   53    HB3  LYS   8           HB2      LYS   8   3.938  -3.876   0.656
   54    HG2  LYS   8           HG3      LYS   8   4.718  -6.650  -0.196
   55    HG3  LYS   8           HG2      LYS   8   5.797  -5.570   0.690
   56    HD2  LYS   8           HD3      LYS   8   3.037  -6.174   1.698
   57    HD3  LYS   8           HD2      LYS   8   4.385  -7.266   2.022
   58    HE2  LYS   8           HE3      LYS   8   4.581  -4.334   2.617
   59    HE3  LYS   8           HE2      LYS   8   3.826  -5.446   3.758
   60    HZ1  LYS   8           HZ1      LYS   8   6.262  -4.992   4.094
   61    HZ2  LYS   8           HZ2      LYS   8   6.552  -5.877   2.683
   62    HZ3  LYS   8           HZ3      LYS   8   5.828  -6.625   4.015
   63    H    TRP   9           H        TRP   9   0.770  -4.657   0.882
   64    HA   TRP   9           HA       TRP   9  -0.258  -2.191  -0.297
   65    HB2  TRP   9           HB3      TRP   9  -1.290  -4.228   1.638
   66    HB3  TRP   9           HB2      TRP   9  -1.989  -2.626   1.662
   67    HD1  TRP   9           HD1      TRP   9  -2.468  -5.841   0.177
   68    HE1  TRP   9           HE1      TRP   9  -4.001  -5.746  -1.894
   69    HE3  TRP   9           HE3      TRP   9  -2.425  -0.802  -0.600
   70    HZ2  TRP   9           HZ2      TRP   9  -5.053  -3.775  -3.622
   71    HZ3  TRP   9           HZ3      TRP   9  -3.719   0.113  -2.480
   72    HH2  TRP   9           HH2      TRP   9  -5.008  -1.342  -3.956
   73    H    THR  10           H        THR  10   0.176  -0.225   0.544
   74    HA   THR  10           HA       THR  10   1.120  -0.083   3.331
   75    HB   THR  10           HB       THR  10   2.179   1.814   1.274
   76    HG1  THR  10           HG1      THR  10   3.843   0.380   0.819
   77   HG21  THR  10          HG21      THR  10   3.666   0.586   3.560
   78   HG22  THR  10          HG22      THR  10   2.617   1.986   3.787
   79   HG23  THR  10          HG23      THR  10   3.996   2.086   2.692
   80    H    TRP  11           H        TRP  11   0.525   1.728   4.518
   81    HA   TRP  11           HA       TRP  11  -1.764   3.180   3.435
   82    HB2  TRP  11           HB3      TRP  11  -1.984   2.100   5.645
   83    HB3  TRP  11           HB2      TRP  11  -0.669   3.105   6.257
   84    HD1  TRP  11           HD1      TRP  11  -1.257   5.539   7.012
   85    HE1  TRP  11           HE1      TRP  11  -3.460   6.850   7.239
   86    HE3  TRP  11           HE3      TRP  11  -4.365   2.356   4.484
   87    HZ2  TRP  11           HZ2      TRP  11  -6.156   6.574   6.452
   88    HZ3  TRP  11           HZ3      TRP  11  -6.741   2.956   4.268
   89    HH2  TRP  11           HH2      TRP  11  -7.616   5.021   5.232
   90    H    LYS  12           H        LYS  12  -1.067   4.849   2.209
   91    HA   LYS  12           HA       LYS  12  -0.032   7.155   3.466
   92    HB2  LYS  12           HB3      LYS  12   2.001   5.504   3.077
   93    HB3  LYS  12           HB2      LYS  12   1.919   6.149   1.443
   94    HG2  LYS  12           HG3      LYS  12   2.001   8.453   2.533
   95    HG3  LYS  12           HG2      LYS  12   2.490   7.604   4.001
   96    HD2  LYS  12           HD3      LYS  12   4.228   6.484   2.366
   97    HD3  LYS  12           HD2      LYS  12   3.947   7.949   1.425
   98    HE2  LYS  12           HE3      LYS  12   5.809   8.379   2.833
   99    HE3  LYS  12           HE2      LYS  12   4.440   9.261   3.508
  100    HZ1  LYS  12           HZ1      LYS  12   5.238   8.282   5.379
  101    HZ2  LYS  12           HZ2      LYS  12   5.857   6.933   4.568
  102    HZ3  LYS  12           HZ3      LYS  12   4.198   7.045   4.878
  Start of MODEL    8
    1    H1   SER   1           HT1      SER   1  -4.511   6.839   2.440
    2    H2   SER   1           HT2      SER   1  -4.856   5.689   3.666
    3    H3   SER   1           HT3      SER   1  -6.095   6.724   3.084
    4    HA   SER   1           HA       SER   1  -6.536   4.764   2.052
    5    HB2  SER   1           HB3      SER   1  -5.415   5.221  -0.336
    6    HB3  SER   1           HB2      SER   1  -6.698   6.247   0.304
    7    HG   SER   1           HG       SER   1  -3.904   6.729   0.433
    8    H    TRP   2           H        TRP   2  -5.635   3.109   0.387
    9    HA   TRP   2           HA       TRP   2  -3.146   2.015   1.529
   10    HB2  TRP   2           HB3      TRP   2  -5.582   0.704   0.335
   11    HB3  TRP   2           HB2      TRP   2  -4.063  -0.162   0.526
   12    HD1  TRP   2           HD1      TRP   2  -7.171   0.393   2.340
   13    HE1  TRP   2           HE1      TRP   2  -6.886  -0.139   4.847
   14    HE3  TRP   2           HE3      TRP   2  -2.089   0.276   2.542
   15    HZ2  TRP   2           HZ2      TRP   2  -4.754  -0.545   6.672
   16    HZ3  TRP   2           HZ3      TRP   2  -0.995  -0.171   4.682
   17    HH2  TRP   2           HH2      TRP   2  -2.294  -0.580   6.715
   18    H    THR   3           H        THR   3  -1.432   1.722   0.268
   19    HA   THR   3           HA       THR   3  -1.760   2.036  -2.643
   20    HB   THR   3           HB       THR   3  -0.501   3.890  -1.673
   21    HG1  THR   3           HG1      THR   3   0.241   3.297  -3.667
   22   HG21  THR   3          HG21      THR   3   0.825   3.620   0.069
   23   HG22  THR   3          HG22      THR   3   1.945   2.725  -0.958
   24   HG23  THR   3          HG23      THR   3   0.696   1.866  -0.056
   25    H    TRP   4           H        TRP   4  -1.141   0.363  -3.882
   26    HA   TRP   4           HA       TRP   4   0.172  -1.890  -2.549
   27    HB2  TRP   4           HB3      TRP   4  -1.883  -2.528  -3.509
   28    HB3  TRP   4           HB2      TRP   4  -1.598  -1.584  -4.962
   29    HD1  TRP   4           HD1      TRP   4  -0.087  -2.675  -6.851
   30    HE1  TRP   4           HE1      TRP   4   0.527  -5.135  -7.338
   31    HE3  TRP   4           HE3      TRP   4  -1.312  -4.705  -2.339
   32    HZ2  TRP   4           HZ2      TRP   4   0.486  -7.612  -5.966
   33    HZ3  TRP   4           HZ3      TRP   4  -0.993  -7.117  -1.991
   34    HH2  TRP   4           HH2      TRP   4  -0.116  -8.543  -3.771
   35    H    GLU   5           H        GLU   5   2.228  -2.417  -3.033
   36    HA   GLU   5           HA       GLU   5   3.357  -1.528  -5.582
   37    HB2  GLU   5           HB3      GLU   5   3.790   0.096  -3.599
   38    HB3  GLU   5           HB2      GLU   5   4.948  -1.126  -3.074
   39    HG2  GLU   5           HG3      GLU   5   6.111   0.535  -4.327
   40    HG3  GLU   5           HG2      GLU   5   6.057  -0.946  -5.283
   41    H    ASN   6           H        ASN   6   4.285  -3.163  -6.552
   42    HA   ASN   6           HA       ASN   6   5.187  -5.222  -6.934
   43    HB2  ASN   6           HB3      ASN   6   6.965  -3.915  -4.910
   44    HB3  ASN   6           HB2      ASN   6   7.333  -5.544  -5.483
   45   HD21  ASN   6          HD21      ASN   6   7.005  -5.652  -8.010
   46   HD22  ASN   6          HD22      ASN   6   7.857  -4.424  -8.877
   47    H    GLY   7           H        GLY   7   2.969  -5.435  -5.109
   48    HA2  GLY   7           HA3      GLY   7   2.140  -7.447  -4.187
   49    HA3  GLY   7           HA2      GLY   7   3.782  -7.955  -3.875
   50    H    LYS   8           H        LYS   8   2.893  -4.755  -2.835
   51    HA   LYS   8           HA       LYS   8   2.316  -5.758  -0.149
   52    HB2  LYS   8           HB3      LYS   8   4.844  -4.712  -0.930
   53    HB3  LYS   8           HB2      LYS   8   4.096  -3.554   0.162
   54    HG2  LYS   8           HG3      LYS   8   3.706  -6.132   1.261
   55    HG3  LYS   8           HG2      LYS   8   5.397  -6.005   0.774
   56    HD2  LYS   8           HD3      LYS   8   5.862  -4.433   2.332
   57    HD3  LYS   8           HD2      LYS   8   4.286  -3.656   2.168
   58    HE2  LYS   8           HE3      LYS   8   3.964  -4.541   4.223
   59    HE3  LYS   8           HE2      LYS   8   3.524  -5.968   3.286
   60    HZ1  LYS   8           HZ1      LYS   8   5.439  -7.034   3.832
   61    HZ2  LYS   8           HZ2      LYS   8   5.278  -6.081   5.220
   62    HZ3  LYS   8           HZ3      LYS   8   6.341  -5.611   3.991
   63    H    TRP   9           H        TRP   9   0.833  -4.646   0.909
   64    HA   TRP   9           HA       TRP   9  -0.241  -2.204  -0.287
   65    HB2  TRP   9           HB3      TRP   9  -1.244  -4.252   1.651
   66    HB3  TRP   9           HB2      TRP   9  -1.958  -2.656   1.684
   67    HD1  TRP   9           HD1      TRP   9  -2.435  -5.869   0.204
   68    HE1  TRP   9           HE1      TRP   9  -3.975  -5.781  -1.863
   69    HE3  TRP   9           HE3      TRP   9  -2.401  -0.831  -0.588
   70    HZ2  TRP   9           HZ2      TRP   9  -5.034  -3.816  -3.593
   71    HZ3  TRP   9           HZ3      TRP   9  -3.702   0.077  -2.467
   72    HH2  TRP   9           HH2      TRP   9  -4.994  -1.384  -3.935
   73    H    THR  10           H        THR  10   0.173  -0.232   0.550
   74    HA   THR  10           HA       THR  10   1.130  -0.077   3.332
   75    HB   THR  10           HB       THR  10   2.163   1.924   1.405
   76    HG1  THR  10           HG1      THR  10   3.573   0.579   0.466
   77   HG21  THR  10          HG21      THR  10   2.765   1.732   3.878
   78   HG22  THR  10          HG22      THR  10   4.081   1.922   2.718
   79   HG23  THR  10          HG23      THR  10   3.726   0.333   3.398
   80    H    TRP  11           H        TRP  11   0.580   1.786   4.499
   81    HA   TRP  11           HA       TRP  11  -1.740   3.205   3.416
   82    HB2  TRP  11           HB3      TRP  11  -1.995   2.097   5.606
   83    HB3  TRP  11           HB2      TRP  11  -0.689   3.091   6.253
   84    HD1  TRP  11           HD1      TRP  11  -1.287   5.513   7.039
   85    HE1  TRP  11           HE1      TRP  11  -3.491   6.824   7.251
   86    HE3  TRP  11           HE3      TRP  11  -4.358   2.376   4.410
   87    HZ2  TRP  11           HZ2      TRP  11  -6.174   6.565   6.416
   88    HZ3  TRP  11           HZ3      TRP  11  -6.729   2.984   4.165
   89    HH2  TRP  11           HH2      TRP  11  -7.617   5.034   5.148
   90    H    LYS  12           H        LYS  12  -1.117   4.941   2.275
   91    HA   LYS  12           HA       LYS  12   0.031   7.169   3.616
   92    HB2  LYS  12           HB3      LYS  12   1.984   5.526   2.897
   93    HB3  LYS  12           HB2      LYS  12   1.751   6.304   1.337
   94    HG2  LYS  12           HG3      LYS  12   1.849   8.456   2.986
   95    HG3  LYS  12           HG2      LYS  12   2.942   7.339   3.806
   96    HD2  LYS  12           HD3      LYS  12   3.812   7.020   1.298
   97    HD3  LYS  12           HD2      LYS  12   3.203   8.671   1.173
   98    HE2  LYS  12           HE3      LYS  12   4.562   8.812   3.507
   99    HE3  LYS  12           HE2      LYS  12   5.521   7.608   2.646
  100    HZ1  LYS  12           HZ1      LYS  12   6.177   9.107   1.090
  101    HZ2  LYS  12           HZ2      LYS  12   5.968  10.172   2.387
  102    HZ3  LYS  12           HZ3      LYS  12   4.768  10.038   1.202
  Start of MODEL    9
    1    H1   SER   1           HT1      SER   1  -4.397   6.896   2.563
    2    H2   SER   1           HT2      SER   1  -4.774   5.728   3.763
    3    H3   SER   1           HT3      SER   1  -5.987   6.801   3.194
    4    HA   SER   1           HA       SER   1  -6.462   4.872   2.119
    5    HB2  SER   1           HB3      SER   1  -5.724   7.086   0.732
    6    HB3  SER   1           HB2      SER   1  -4.654   5.888   0.003
    7    HG   SER   1           HG       SER   1  -7.222   6.283  -0.483
    8    H    TRP   2           H        TRP   2  -5.607   3.212   0.459
    9    HA   TRP   2           HA       TRP   2  -3.128   2.063   1.566
   10    HB2  TRP   2           HB3      TRP   2  -5.600   0.804   0.389
   11    HB3  TRP   2           HB2      TRP   2  -4.096  -0.091   0.564
   12    HD1  TRP   2           HD1      TRP   2  -7.179   0.516   2.405
   13    HE1  TRP   2           HE1      TRP   2  -6.884  -0.030   4.908
   14    HE3  TRP   2           HE3      TRP   2  -2.100   0.300   2.566
   15    HZ2  TRP   2           HZ2      TRP   2  -4.746  -0.483   6.715
   16    HZ3  TRP   2           HZ3      TRP   2  -0.996  -0.174   4.696
   17    HH2  TRP   2           HH2      TRP   2  -2.288  -0.564   6.739
   18    H    THR   3           H        THR   3  -1.433   1.745   0.284
   19    HA   THR   3           HA       THR   3  -1.793   2.060  -2.623
   20    HB   THR   3           HB       THR   3   0.656   2.792  -2.567
   21    HG1  THR   3           HG1      THR   3   1.477   3.431  -0.633
   22   HG21  THR   3          HG21      THR   3  -0.227   4.791  -2.860
   23   HG22  THR   3          HG22      THR   3  -0.328   4.977  -1.109
   24   HG23  THR   3          HG23      THR   3  -1.692   4.308  -2.005
   25    H    TRP   4           H        TRP   4  -1.178   0.387  -3.859
   26    HA   TRP   4           HA       TRP   4   0.143  -1.863  -2.533
   27    HB2  TRP   4           HB3      TRP   4  -1.892  -2.507  -3.528
   28    HB3  TRP   4           HB2      TRP   4  -1.598  -1.544  -4.966
   29    HD1  TRP   4           HD1      TRP   4  -0.038  -2.598  -6.845
   30    HE1  TRP   4           HE1      TRP   4   0.596  -5.048  -7.355
   31    HE3  TRP   4           HE3      TRP   4  -1.341  -4.700  -2.387
   32    HZ2  TRP   4           HZ2      TRP   4   0.541  -7.544  -6.021
   33    HZ3  TRP   4           HZ3      TRP   4  -1.018  -7.115  -2.068
   34    HH2  TRP   4           HH2      TRP   4  -0.099  -8.511  -3.852
   35    H    GLU   5           H        GLU   5   2.208  -2.380  -2.994
   36    HA   GLU   5           HA       GLU   5   3.368  -1.459  -5.518
   37    HB2  GLU   5           HB3      GLU   5   3.760   0.065  -3.372
   38    HB3  GLU   5           HB2      GLU   5   5.042  -1.111  -3.086
   39    HG2  GLU   5           HG3      GLU   5   5.855   0.848  -4.286
   40    HG3  GLU   5           HG2      GLU   5   6.011  -0.619  -5.251
   41    H    ASN   6           H        ASN   6   4.322  -3.071  -6.495
   42    HA   ASN   6           HA       ASN   6   5.240  -5.118  -6.896
   43    HB2  ASN   6           HB3      ASN   6   7.054  -3.463  -5.777
   44    HB3  ASN   6           HB2      ASN   6   7.134  -4.818  -4.647
   45   HD21  ASN   6          HD21      ASN   6   6.841  -6.986  -6.152
   46   HD22  ASN   6          HD22      ASN   6   8.092  -7.105  -7.337
   47    H    GLY   7           H        GLY   7   2.997  -5.374  -5.106
   48    HA2  GLY   7           HA3      GLY   7   2.166  -7.406  -4.230
   49    HA3  GLY   7           HA2      GLY   7   3.806  -7.912  -3.908
   50    H    LYS   8           H        LYS   8   2.890  -4.736  -2.820
   51    HA   LYS   8           HA       LYS   8   2.264  -5.785  -0.165
   52    HB2  LYS   8           HB3      LYS   8   4.822  -4.757  -0.877
   53    HB3  LYS   8           HB2      LYS   8   4.070  -3.619   0.232
   54    HG2  LYS   8           HG3      LYS   8   3.939  -6.488   0.948
   55    HG3  LYS   8           HG2      LYS   8   5.510  -5.692   1.057
   56    HD2  LYS   8           HD3      LYS   8   4.807  -5.109   3.114
   57    HD3  LYS   8           HD2      LYS   8   3.915  -3.853   2.253
   58    HE2  LYS   8           HE3      LYS   8   1.908  -4.905   2.514
   59    HE3  LYS   8           HE2      LYS   8   2.630  -6.513   2.529
   60    HZ1  LYS   8           HZ1      LYS   8   2.150  -4.676   4.725
   61    HZ2  LYS   8           HZ2      LYS   8   3.623  -5.506   4.780
   62    HZ3  LYS   8           HZ3      LYS   8   2.169  -6.368   4.712
   63    H    TRP   9           H        TRP   9   0.772  -4.675   0.879
   64    HA   TRP   9           HA       TRP   9  -0.258  -2.208  -0.294
   65    HB2  TRP   9           HB3      TRP   9  -1.285  -4.256   1.630
   66    HB3  TRP   9           HB2      TRP   9  -1.980  -2.652   1.679
   67    HD1  TRP   9           HD1      TRP   9  -2.459  -5.847   0.143
   68    HE1  TRP   9           HE1      TRP   9  -4.011  -5.723  -1.912
   69    HE3  TRP   9           HE3      TRP   9  -2.453  -0.794  -0.539
   70    HZ2  TRP   9           HZ2      TRP   9  -5.090  -3.725  -3.592
   71    HZ3  TRP   9           HZ3      TRP   9  -3.770   0.148  -2.389
   72    HH2  TRP   9           HH2      TRP   9  -5.063  -1.286  -3.881
   73    H    THR  10           H        THR  10   0.172  -0.243   0.549
   74    HA   THR  10           HA       THR  10   1.141  -0.104   3.328
   75    HB   THR  10           HB       THR  10   2.145   1.739   1.173
   76    HG1  THR  10           HG1      THR  10   3.290  -0.731   1.968
   77   HG21  THR  10          HG21      THR  10   3.310   0.872   3.807
   78   HG22  THR  10          HG22      THR  10   2.611   2.447   3.433
   79   HG23  THR  10          HG23      THR  10   4.097   1.930   2.636
   80    H    TRP  11           H        TRP  11   0.555   1.713   4.525
   81    HA   TRP  11           HA       TRP  11  -1.794   3.105   3.504
   82    HB2  TRP  11           HB3      TRP  11  -1.920   2.069   5.734
   83    HB3  TRP  11           HB2      TRP  11  -0.586   3.088   6.281
   84    HD1  TRP  11           HD1      TRP  11  -1.191   5.431   7.195
   85    HE1  TRP  11           HE1      TRP  11  -3.373   6.773   7.436
   86    HE3  TRP  11           HE3      TRP  11  -4.300   2.437   4.446
   87    HZ2  TRP  11           HZ2      TRP  11  -6.054   6.589   6.577
   88    HZ3  TRP  11           HZ3      TRP  11  -6.658   3.094   4.207
   89    HH2  TRP  11           HH2      TRP  11  -7.516   5.127   5.251
   90    H    LYS  12           H        LYS  12  -1.186   4.763   2.221
   91    HA   LYS  12           HA       LYS  12  -0.138   7.110   3.398
   92    HB2  LYS  12           HB3      LYS  12   1.898   5.483   2.921
   93    HB3  LYS  12           HB2      LYS  12   1.721   6.111   1.288
   94    HG2  LYS  12           HG3      LYS  12   1.664   8.272   3.170
   95    HG3  LYS  12           HG2      LYS  12   3.091   7.270   3.441
   96    HD2  LYS  12           HD3      LYS  12   3.559   9.061   1.846
   97    HD3  LYS  12           HD2      LYS  12   3.688   7.477   1.078
   98    HE2  LYS  12           HE3      LYS  12   1.471   7.741   0.116
   99    HE3  LYS  12           HE2      LYS  12   1.285   9.295   0.930
  100    HZ1  LYS  12           HZ1      LYS  12   2.635  10.329  -0.539
  101    HZ2  LYS  12           HZ2      LYS  12   2.121   9.083  -1.560
  102    HZ3  LYS  12           HZ3      LYS  12   3.621   8.976  -0.785
  Start of MODEL   10
    1    H1   SER   1           HT1      SER   1  -5.986   6.772   3.170
    2    H2   SER   1           HT2      SER   1  -4.410   6.861   2.496
    3    H3   SER   1           HT3      SER   1  -4.754   5.722   3.732
    4    HA   SER   1           HA       SER   1  -6.472   4.813   2.154
    5    HB2  SER   1           HB3      SER   1  -5.736   5.211  -0.250
    6    HB3  SER   1           HB2      SER   1  -6.517   6.579   0.544
    7    HG   SER   1           HG       SER   1  -4.633   7.624   0.643
    8    H    TRP   2           H        TRP   2  -5.625   3.146   0.472
    9    HA   TRP   2           HA       TRP   2  -3.124   2.027   1.561
   10    HB2  TRP   2           HB3      TRP   2  -5.597   0.739   0.418
   11    HB3  TRP   2           HB2      TRP   2  -4.083  -0.143   0.584
   12    HD1  TRP   2           HD1      TRP   2  -7.154   0.447   2.449
   13    HE1  TRP   2           HE1      TRP   2  -6.831  -0.080   4.952
   14    HE3  TRP   2           HE3      TRP   2  -2.070   0.287   2.568
   15    HZ2  TRP   2           HZ2      TRP   2  -4.673  -0.497   6.744
   16    HZ3  TRP   2           HZ3      TRP   2  -0.944  -0.162   4.691
   17    HH2  TRP   2           HH2      TRP   2  -2.214  -0.552   6.747
   18    H    THR   3           H        THR   3  -1.441   1.706   0.263
   19    HA   THR   3           HA       THR   3  -1.835   1.997  -2.642
   20    HB   THR   3           HB       THR   3  -0.590   3.890  -1.810
   21    HG1  THR   3           HG1      THR   3   0.444   3.531  -3.601
   22   HG21  THR   3          HG21      THR   3   0.755   1.900  -0.153
   23   HG22  THR   3          HG22      THR   3   0.518   3.628   0.105
   24   HG23  THR   3          HG23      THR   3   1.838   3.062  -0.919
   25    H    TRP   4           H        TRP   4  -1.217   0.320  -3.871
   26    HA   TRP   4           HA       TRP   4   0.119  -1.915  -2.541
   27    HB2  TRP   4           HB3      TRP   4  -1.904  -2.568  -3.553
   28    HB3  TRP   4           HB2      TRP   4  -1.601  -1.602  -4.988
   29    HD1  TRP   4           HD1      TRP   4  -0.015  -2.644  -6.852
   30    HE1  TRP   4           HE1      TRP   4   0.633  -5.091  -7.360
   31    HE3  TRP   4           HE3      TRP   4  -1.361  -4.763  -2.412
   32    HZ2  TRP   4           HZ2      TRP   4   0.573  -7.590  -6.034
   33    HZ3  TRP   4           HZ3      TRP   4  -1.032  -7.178  -2.098
   34    HH2  TRP   4           HH2      TRP   4  -0.088  -8.565  -3.876
   35    H    GLU   5           H        GLU   5   2.193  -2.421  -2.984
   36    HA   GLU   5           HA       GLU   5   3.369  -1.491  -5.497
   37    HB2  GLU   5           HB3      GLU   5   4.190  -0.681  -2.749
   38    HB3  GLU   5           HB2      GLU   5   5.446  -0.909  -3.966
   39    HG2  GLU   5           HG3      GLU   5   4.124   0.665  -5.434
   40    HG3  GLU   5           HG2      GLU   5   3.153   1.030  -4.009
   41    H    ASN   6           H        ASN   6   4.346  -3.093  -6.468
   42    HA   ASN   6           HA       ASN   6   5.280  -5.134  -6.866
   43    HB2  ASN   6           HB3      ASN   6   7.137  -3.567  -6.013
   44    HB3  ASN   6           HB2      ASN   6   7.077  -4.531  -4.535
   45   HD21  ASN   6          HD21      ASN   6   7.282  -4.924  -8.053
   46   HD22  ASN   6          HD22      ASN   6   8.396  -6.243  -8.013
   47    H    GLY   7           H        GLY   7   3.017  -5.405  -5.099
   48    HA2  GLY   7           HA3      GLY   7   2.185  -7.444  -4.240
   49    HA3  GLY   7           HA2      GLY   7   3.824  -7.946  -3.906
   50    H    LYS   8           H        LYS   8   2.890  -4.779  -2.810
   51    HA   LYS   8           HA       LYS   8   2.231  -5.837  -0.169
   52    HB2  LYS   8           HB3      LYS   8   4.577  -4.027  -0.725
   53    HB3  LYS   8           HB2      LYS   8   3.894  -4.255   0.879
   54    HG2  LYS   8           HG3      LYS   8   4.966  -6.491  -0.824
   55    HG3  LYS   8           HG2      LYS   8   5.903  -5.639   0.405
   56    HD2  LYS   8           HD3      LYS   8   3.321  -7.109   0.926
   57    HD3  LYS   8           HD2      LYS   8   4.930  -7.775   1.211
   58    HE2  LYS   8           HE3      LYS   8   5.310  -5.695   2.668
   59    HE3  LYS   8           HE2      LYS   8   3.559  -5.501   2.609
   60    HZ1  LYS   8           HZ1      LYS   8   3.681  -8.030   3.312
   61    HZ2  LYS   8           HZ2      LYS   8   3.724  -6.781   4.452
   62    HZ3  LYS   8           HZ3      LYS   8   5.160  -7.529   3.964
   63    H    TRP   9           H        TRP   9   0.729  -4.720   0.853
   64    HA   TRP   9           HA       TRP   9  -0.261  -2.240  -0.317
   65    HB2  TRP   9           HB3      TRP   9  -1.310  -4.263   1.624
   66    HB3  TRP   9           HB2      TRP   9  -1.991  -2.653   1.651
   67    HD1  TRP   9           HD1      TRP   9  -2.481  -5.863   0.144
   68    HE1  TRP   9           HE1      TRP   9  -4.030  -5.750  -1.914
   69    HE3  TRP   9           HE3      TRP   9  -2.454  -0.817  -0.578
   70    HZ2  TRP   9           HZ2      TRP   9  -5.099  -3.761  -3.612
   71    HZ3  TRP   9           HZ3      TRP   9  -3.764   0.116  -2.437
   72    HH2  TRP   9           HH2      TRP   9  -5.061  -1.325  -3.920
   73    H    THR  10           H        THR  10   0.192  -0.276   0.515
   74    HA   THR  10           HA       THR  10   1.146  -0.130   3.298
   75    HB   THR  10           HB       THR  10   2.217   1.806   1.306
   76    HG1  THR  10           HG1      THR  10   3.136   0.313   0.187
   77   HG21  THR  10          HG21      THR  10   3.242   2.315   3.237
   78   HG22  THR  10          HG22      THR  10   4.318   1.002   2.758
   79   HG23  THR  10          HG23      THR  10   3.017   0.700   3.910
   80    H    TRP  11           H        TRP  11   0.529   1.654   4.492
   81    HA   TRP  11           HA       TRP  11  -1.764   3.098   3.437
   82    HB2  TRP  11           HB3      TRP  11  -1.900   2.095   5.685
   83    HB3  TRP  11           HB2      TRP  11  -0.558   3.111   6.215
   84    HD1  TRP  11           HD1      TRP  11  -1.121   5.523   7.005
   85    HE1  TRP  11           HE1      TRP  11  -3.300   6.870   7.252
   86    HE3  TRP  11           HE3      TRP  11  -4.304   2.394   4.502
   87    HZ2  TRP  11           HZ2      TRP  11  -6.006   6.639   6.489
   88    HZ3  TRP  11           HZ3      TRP  11  -6.671   3.034   4.308
   89    HH2  TRP  11           HH2      TRP  11  -7.503   5.112   5.282
   90    H    LYS  12           H        LYS  12  -1.128   4.728   2.130
   91    HA   LYS  12           HA       LYS  12  -0.120   7.102   3.234
   92    HB2  LYS  12           HB3      LYS  12   1.942   5.410   2.929
   93    HB3  LYS  12           HB2      LYS  12   1.908   6.099   1.311
   94    HG2  LYS  12           HG3      LYS  12   2.560   8.159   2.021
   95    HG3  LYS  12           HG2      LYS  12   1.811   7.972   3.608
   96    HD2  LYS  12           HD3      LYS  12   4.243   7.982   3.789
   97    HD3  LYS  12           HD2      LYS  12   3.585   6.414   4.260
   98    HE2  LYS  12           HE3      LYS  12   4.278   6.675   1.415
   99    HE3  LYS  12           HE2      LYS  12   5.644   6.766   2.526
  100    HZ1  LYS  12           HZ1      LYS  12   5.411   4.512   2.023
  101    HZ2  LYS  12           HZ2      LYS  12   3.726   4.545   2.162
  102    HZ3  LYS  12           HZ3      LYS  12   4.690   4.666   3.546
  Start of MODEL   11
    1    H1   SER   1           HT1      SER   1  -4.672   6.785   2.496
    2    H2   SER   1           HT2      SER   1  -4.938   5.639   3.745
    3    H3   SER   1           HT3      SER   1  -6.230   6.623   3.191
    4    HA   SER   1           HA       SER   1  -6.639   4.642   2.192
    5    HB2  SER   1           HB3      SER   1  -6.268   6.778   0.700
    6    HB3  SER   1           HB2      SER   1  -4.897   5.862   0.074
    7    HG   SER   1           HG       SER   1  -6.222   4.547  -0.918
    8    H    TRP   2           H        TRP   2  -5.718   3.013   0.496
    9    HA   TRP   2           HA       TRP   2  -3.189   1.984   1.608
   10    HB2  TRP   2           HB3      TRP   2  -5.607   0.615   0.446
   11    HB3  TRP   2           HB2      TRP   2  -4.064  -0.215   0.608
   12    HD1  TRP   2           HD1      TRP   2  -7.155   0.250   2.471
   13    HE1  TRP   2           HE1      TRP   2  -6.817  -0.280   4.972
   14    HE3  TRP   2           HE3      TRP   2  -2.067   0.279   2.600
   15    HZ2  TRP   2           HZ2      TRP   2  -4.648  -0.628   6.765
   16    HZ3  TRP   2           HZ3      TRP   2  -0.930  -0.141   4.723
   17    HH2  TRP   2           HH2      TRP   2  -2.188  -0.592   6.773
   18    H    THR   3           H        THR   3  -1.481   1.735   0.328
   19    HA   THR   3           HA       THR   3  -1.850   2.050  -2.577
   20    HB   THR   3           HB       THR   3   0.319   3.073  -2.697
   21    HG1  THR   3           HG1      THR   3   1.519   1.998  -1.222
   22   HG21  THR   3          HG21      THR   3  -0.465   4.472  -0.248
   23   HG22  THR   3          HG22      THR   3  -1.734   4.326  -1.464
   24   HG23  THR   3          HG23      THR   3  -0.198   5.086  -1.879
   25    H    TRP   4           H        TRP   4  -1.223   0.389  -3.832
   26    HA   TRP   4           HA       TRP   4   0.128  -1.853  -2.520
   27    HB2  TRP   4           HB3      TRP   4  -1.914  -2.516  -3.489
   28    HB3  TRP   4           HB2      TRP   4  -1.643  -1.554  -4.933
   29    HD1  TRP   4           HD1      TRP   4  -0.065  -2.594  -6.814
   30    HE1  TRP   4           HE1      TRP   4   0.581  -5.040  -7.326
   31    HE3  TRP   4           HE3      TRP   4  -1.367  -4.707  -2.360
   32    HZ2  TRP   4           HZ2      TRP   4   0.534  -7.538  -5.995
   33    HZ3  TRP   4           HZ3      TRP   4  -1.034  -7.122  -2.045
   34    HH2  TRP   4           HH2      TRP   4  -0.106  -8.511  -3.830
   35    H    GLU   5           H        GLU   5   2.190  -2.350  -3.002
   36    HA   GLU   5           HA       GLU   5   3.314  -1.431  -5.542
   37    HB2  GLU   5           HB3      GLU   5   3.719   0.174  -3.524
   38    HB3  GLU   5           HB2      GLU   5   4.914  -1.031  -3.043
   39    HG2  GLU   5           HG3      GLU   5   5.956  -0.781  -5.295
   40    HG3  GLU   5           HG2      GLU   5   4.847   0.555  -5.599
   41    H    ASN   6           H        ASN   6   4.274  -3.045  -6.518
   42    HA   ASN   6           HA       ASN   6   5.205  -5.089  -6.909
   43    HB2  ASN   6           HB3      ASN   6   6.944  -3.670  -4.962
   44    HB3  ASN   6           HB2      ASN   6   7.321  -5.360  -5.309
   45   HD21  ASN   6          HD21      ASN   6   6.062  -2.768  -7.368
   46   HD22  ASN   6          HD22      ASN   6   7.339  -2.835  -8.529
   47    H    GLY   7           H        GLY   7   2.976  -5.347  -5.099
   48    HA2  GLY   7           HA3      GLY   7   2.167  -7.381  -4.208
   49    HA3  GLY   7           HA2      GLY   7   3.813  -7.873  -3.895
   50    H    LYS   8           H        LYS   8   2.874  -4.703  -2.791
   51    HA   LYS   8           HA       LYS   8   2.236  -5.766  -0.149
   52    HB2  LYS   8           HB3      LYS   8   3.907  -4.345   0.965
   53    HB3  LYS   8           HB2      LYS   8   4.645  -5.554  -0.075
   54    HG2  LYS   8           HG3      LYS   8   5.533  -4.019  -1.458
   55    HG3  LYS   8           HG2      LYS   8   4.143  -2.940  -1.329
   56    HD2  LYS   8           HD3      LYS   8   6.283  -3.311   0.767
   57    HD3  LYS   8           HD2      LYS   8   6.164  -1.950  -0.349
   58    HE2  LYS   8           HE3      LYS   8   4.904  -0.924   1.170
   59    HE3  LYS   8           HE2      LYS   8   3.652  -2.122   0.846
   60    HZ1  LYS   8           HZ1      LYS   8   3.878  -2.555   3.019
   61    HZ2  LYS   8           HZ2      LYS   8   5.420  -1.868   3.121
   62    HZ3  LYS   8           HZ3      LYS   8   5.235  -3.449   2.548
   63    H    TRP   9           H        TRP   9   0.746  -4.654   0.890
   64    HA   TRP   9           HA       TRP   9  -0.259  -2.176  -0.273
   65    HB2  TRP   9           HB3      TRP   9  -1.295  -4.198   1.678
   66    HB3  TRP   9           HB2      TRP   9  -1.992  -2.595   1.680
   67    HD1  TRP   9           HD1      TRP   9  -2.473  -5.826   0.231
   68    HE1  TRP   9           HE1      TRP   9  -3.998  -5.752  -1.846
   69    HE3  TRP   9           HE3      TRP   9  -2.415  -0.798  -0.605
   70    HZ2  TRP   9           HZ2      TRP   9  -5.040  -3.799  -3.600
   71    HZ3  TRP   9           HZ3      TRP   9  -3.702   0.099  -2.500
   72    HH2  TRP   9           HH2      TRP   9  -4.989  -1.370  -3.963
   73    H    THR  10           H        THR  10   0.182  -0.212   0.561
   74    HA   THR  10           HA       THR  10   1.130  -0.060   3.345
   75    HB   THR  10           HB       THR  10   2.359   2.064   2.031
   76    HG1  THR  10           HG1      THR  10   2.723  -0.294   0.503
   77   HG21  THR  10          HG21      THR  10   3.513   0.913   3.732
   78   HG22  THR  10          HG22      THR  10   4.447   0.689   2.253
   79   HG23  THR  10          HG23      THR  10   3.426  -0.616   2.857
   80    H    TRP  11           H        TRP  11   0.420   1.654   4.556
   81    HA   TRP  11           HA       TRP  11  -1.842   3.117   3.472
   82    HB2  TRP  11           HB3      TRP  11  -2.000   2.074   5.708
   83    HB3  TRP  11           HB2      TRP  11  -0.691   3.114   6.273
   84    HD1  TRP  11           HD1      TRP  11  -1.312   5.538   7.018
   85    HE1  TRP  11           HE1      TRP  11  -3.530   6.822   7.250
   86    HE3  TRP  11           HE3      TRP  11  -4.398   2.287   4.552
   87    HZ2  TRP  11           HZ2      TRP  11  -6.229   6.501   6.491
   88    HZ3  TRP  11           HZ3      TRP  11  -6.784   2.852   4.350
   89    HH2  TRP  11           HH2      TRP  11  -7.679   4.915   5.300
   90    H    LYS  12           H        LYS  12  -1.189   4.770   2.202
   91    HA   LYS  12           HA       LYS  12  -0.229   7.135   3.356
   92    HB2  LYS  12           HB3      LYS  12   1.850   5.414   3.019
   93    HB3  LYS  12           HB2      LYS  12   1.877   6.266   1.481
   94    HG2  LYS  12           HG3      LYS  12   1.707   8.383   3.048
   95    HG3  LYS  12           HG2      LYS  12   2.419   7.271   4.220
   96    HD2  LYS  12           HD3      LYS  12   4.343   8.056   3.305
   97    HD3  LYS  12           HD2      LYS  12   4.020   6.767   2.143
   98    HE2  LYS  12           HE3      LYS  12   4.489   8.626   0.811
   99    HE3  LYS  12           HE2      LYS  12   2.728   8.540   0.823
  100    HZ1  LYS  12           HZ1      LYS  12   2.577  10.339   2.271
  101    HZ2  LYS  12           HZ2      LYS  12   3.805  10.798   1.201
  102    HZ3  LYS  12           HZ3      LYS  12   4.198  10.234   2.747
  Start of MODEL   12
    1    H1   SER   1           HT1      SER   1  -5.819   7.082   3.355
    2    H2   SER   1           HT2      SER   1  -4.453   7.139   2.318
    3    H3   SER   1           HT3      SER   1  -4.428   6.150   3.720
    4    HA   SER   1           HA       SER   1  -6.438   5.028   2.688
    5    HB2  SER   1           HB3      SER   1  -5.380   6.788   0.537
    6    HB3  SER   1           HB2      SER   1  -5.846   5.154   0.063
    7    HG   SER   1           HG       SER   1  -7.808   5.878   0.076
    8    H    TRP   2           H        TRP   2  -5.810   3.264   0.876
    9    HA   TRP   2           HA       TRP   2  -3.195   2.206   1.739
   10    HB2  TRP   2           HB3      TRP   2  -5.784   0.880   0.972
   11    HB3  TRP   2           HB2      TRP   2  -4.263  -0.001   0.921
   12    HD1  TRP   2           HD1      TRP   2  -7.006   0.669   3.236
   13    HE1  TRP   2           HE1      TRP   2  -6.296   0.171   5.664
   14    HE3  TRP   2           HE3      TRP   2  -1.978   0.407   2.539
   15    HZ2  TRP   2           HZ2      TRP   2  -3.883  -0.264   7.094
   16    HZ3  TRP   2           HZ3      TRP   2  -0.532  -0.032   4.458
   17    HH2  TRP   2           HH2      TRP   2  -1.457  -0.369   6.700
   18    H    THR   3           H        THR   3  -1.660   1.856   0.289
   19    HA   THR   3           HA       THR   3  -2.364   1.887  -2.570
   20    HB   THR   3           HB       THR   3  -0.215   3.005  -3.012
   21    HG1  THR   3           HG1      THR   3   0.012   2.896  -0.200
   22   HG21  THR   3          HG21      THR   3  -1.658   4.729  -2.933
   23   HG22  THR   3          HG22      THR   3  -0.726   5.136  -1.492
   24   HG23  THR   3          HG23      THR   3  -2.268   4.293  -1.337
   25    H    TRP   4           H        TRP   4  -1.677   0.145  -3.693
   26    HA   TRP   4           HA       TRP   4  -0.109  -1.836  -2.259
   27    HB2  TRP   4           HB3      TRP   4  -2.047  -2.711  -3.265
   28    HB3  TRP   4           HB2      TRP   4  -1.791  -1.811  -4.751
   29    HD1  TRP   4           HD1      TRP   4   0.219  -2.755  -6.369
   30    HE1  TRP   4           HE1      TRP   4   0.948  -5.199  -6.776
   31    HE3  TRP   4           HE3      TRP   4  -1.771  -4.882  -2.190
   32    HZ2  TRP   4           HZ2      TRP   4   0.692  -7.705  -5.476
   33    HZ3  TRP   4           HZ3      TRP   4  -1.497  -7.303  -1.836
   34    HH2  TRP   4           HH2      TRP   4  -0.286  -8.683  -3.446
   35    H    GLU   5           H        GLU   5   1.981  -2.173  -2.598
   36    HA   GLU   5           HA       GLU   5   3.198  -1.394  -5.139
   37    HB2  GLU   5           HB3      GLU   5   3.350   0.341  -3.086
   38    HB3  GLU   5           HB2      GLU   5   4.756  -0.662  -2.729
   39    HG2  GLU   5           HG3      GLU   5   5.940   0.226  -4.389
   40    HG3  GLU   5           HG2      GLU   5   4.601   0.101  -5.529
   41    H    ASN   6           H        ASN   6   5.110  -2.469  -5.657
   42    HA   ASN   6           HA       ASN   6   6.361  -4.377  -5.822
   43    HB2  ASN   6           HB3      ASN   6   7.211  -2.828  -3.739
   44    HB3  ASN   6           HB2      ASN   6   7.009  -4.396  -2.951
   45   HD21  ASN   6          HD21      ASN   6   7.651  -6.038  -5.126
   46   HD22  ASN   6          HD22      ASN   6   9.335  -5.856  -5.466
   47    H    GLY   7           H        GLY   7   3.608  -4.959  -5.326
   48    HA2  GLY   7           HA3      GLY   7   2.426  -6.913  -5.027
   49    HA3  GLY   7           HA2      GLY   7   3.906  -7.685  -4.501
   50    H    LYS   8           H        LYS   8   2.966  -4.790  -2.837
   51    HA   LYS   8           HA       LYS   8   1.637  -6.327  -0.735
   52    HB2  LYS   8           HB3      LYS   8   3.093  -5.658   1.003
   53    HB3  LYS   8           HB2      LYS   8   4.123  -6.261  -0.286
   54    HG2  LYS   8           HG3      LYS   8   5.257  -4.364  -0.258
   55    HG3  LYS   8           HG2      LYS   8   3.795  -3.483  -0.703
   56    HD2  LYS   8           HD3      LYS   8   4.798  -2.601   1.354
   57    HD3  LYS   8           HD2      LYS   8   3.189  -3.265   1.645
   58    HE2  LYS   8           HE3      LYS   8   4.944  -3.852   3.358
   59    HE3  LYS   8           HE2      LYS   8   4.074  -5.214   2.653
   60    HZ1  LYS   8           HZ1      LYS   8   5.905  -5.892   1.479
   61    HZ2  LYS   8           HZ2      LYS   8   6.648  -5.275   2.867
   62    HZ3  LYS   8           HZ3      LYS   8   6.613  -4.356   1.447
   63    H    TRP   9           H        TRP   9   0.575  -5.005   0.885
   64    HA   TRP   9           HA       TRP   9  -0.473  -2.545  -0.287
   65    HB2  TRP   9           HB3      TRP   9  -1.371  -4.451   1.830
   66    HB3  TRP   9           HB2      TRP   9  -1.971  -2.813   1.891
   67    HD1  TRP   9           HD1      TRP   9  -2.625  -6.040   0.400
   68    HE1  TRP   9           HE1      TRP   9  -4.447  -5.900  -1.421
   69    HE3  TRP   9           HE3      TRP   9  -2.822  -0.974  -0.117
   70    HZ2  TRP   9           HZ2      TRP   9  -5.788  -3.883  -2.875
   71    HZ3  TRP   9           HZ3      TRP   9  -4.398  -0.013  -1.739
   72    HH2  TRP   9           HH2      TRP   9  -5.853  -1.437  -3.086
   73    H    THR  10           H        THR  10   0.133  -0.577   0.374
   74    HA   THR  10           HA       THR  10   1.393  -0.308   3.022
   75    HB   THR  10           HB       THR  10   2.312   1.500   0.856
   76    HG1  THR  10           HG1      THR  10   2.935  -1.252   0.973
   77   HG21  THR  10          HG21      THR  10   3.707   1.976   2.515
   78   HG22  THR  10          HG22      THR  10   4.503   0.452   2.122
   79   HG23  THR  10          HG23      THR  10   3.292   0.510   3.403
   80    H    TRP  11           H        TRP  11   1.003   1.610   4.136
   81    HA   TRP  11           HA       TRP  11  -1.369   3.048   3.250
   82    HB2  TRP  11           HB3      TRP  11  -1.304   2.234   5.562
   83    HB3  TRP  11           HB2      TRP  11   0.157   3.178   5.864
   84    HD1  TRP  11           HD1      TRP  11  -0.137   5.710   6.452
   85    HE1  TRP  11           HE1      TRP  11  -2.181   7.209   6.893
   86    HE3  TRP  11           HE3      TRP  11  -3.824   2.579   4.778
   87    HZ2  TRP  11           HZ2      TRP  11  -4.982   7.084   6.575
   88    HZ3  TRP  11           HZ3      TRP  11  -6.157   3.348   4.883
   89    HH2  TRP  11           HH2      TRP  11  -6.723   5.554   5.764
   90    H    LYS  12           H        LYS  12  -0.852   4.557   1.764
   91    HA   LYS  12           HA       LYS  12   0.428   6.938   2.588
   92    HB2  LYS  12           HB3      LYS  12   2.272   5.062   1.896
   93    HB3  LYS  12           HB2      LYS  12   2.003   5.844   0.344
   94    HG2  LYS  12           HG3      LYS  12   2.735   7.923   1.138
   95    HG3  LYS  12           HG2      LYS  12   2.606   7.419   2.825
   96    HD2  LYS  12           HD3      LYS  12   4.443   5.830   2.482
   97    HD3  LYS  12           HD2      LYS  12   4.576   6.352   0.801
   98    HE2  LYS  12           HE3      LYS  12   5.580   8.313   1.348
   99    HE3  LYS  12           HE2      LYS  12   4.697   8.466   2.866
  100    HZ1  LYS  12           HZ1      LYS  12   6.156   6.985   3.929
  101    HZ2  LYS  12           HZ2      LYS  12   7.155   8.023   3.043
  102    HZ3  LYS  12           HZ3      LYS  12   6.841   6.462   2.473
  Start of MODEL   13
    1    H1   SER   1           HT1      SER   1  -4.660   6.744   2.495
    2    H2   SER   1           HT2      SER   1  -4.993   5.593   3.724
    3    H3   SER   1           HT3      SER   1  -6.244   6.612   3.137
    4    HA   SER   1           HA       SER   1  -6.654   4.637   2.115
    5    HB2  SER   1           HB3      SER   1  -4.846   5.964   0.101
    6    HB3  SER   1           HB2      SER   1  -6.403   5.179  -0.166
    7    HG   SER   1           HG       SER   1  -7.303   6.930   1.136
    8    H    TRP   2           H        TRP   2  -5.736   2.994   0.453
    9    HA   TRP   2           HA       TRP   2  -3.215   1.953   1.576
   10    HB2  TRP   2           HB3      TRP   2  -5.636   0.590   0.408
   11    HB3  TRP   2           HB2      TRP   2  -4.098  -0.245   0.590
   12    HD1  TRP   2           HD1      TRP   2  -7.203   0.255   2.425
   13    HE1  TRP   2           HE1      TRP   2  -6.888  -0.263   4.932
   14    HE3  TRP   2           HE3      TRP   2  -2.118   0.241   2.590
   15    HZ2  TRP   2           HZ2      TRP   2  -4.735  -0.618   6.743
   16    HZ3  TRP   2           HZ3      TRP   2  -0.999  -0.176   4.723
   17    HH2  TRP   2           HH2      TRP   2  -2.275  -0.604   6.767
   18    H    THR   3           H        THR   3  -1.507   1.691   0.301
   19    HA   THR   3           HA       THR   3  -1.869   1.988  -2.608
   20    HB   THR   3           HB       THR   3  -0.636   3.872  -1.747
   21    HG1  THR   3           HG1      THR   3   0.207   3.123  -3.664
   22   HG21  THR   3          HG21      THR   3   0.471   3.640   0.163
   23   HG22  THR   3          HG22      THR   3   1.780   2.980  -0.818
   24   HG23  THR   3          HG23      THR   3   0.629   1.895  -0.038
   25    H    TRP   4           H        TRP   4  -1.232   0.323  -3.847
   26    HA   TRP   4           HA       TRP   4   0.137  -1.901  -2.521
   27    HB2  TRP   4           HB3      TRP   4  -1.918  -2.579  -3.452
   28    HB3  TRP   4           HB2      TRP   4  -1.668  -1.637  -4.912
   29    HD1  TRP   4           HD1      TRP   4  -0.160  -2.708  -6.817
   30    HE1  TRP   4           HE1      TRP   4   0.491  -5.160  -7.300
   31    HE3  TRP   4           HE3      TRP   4  -1.294  -4.740  -2.281
   32    HZ2  TRP   4           HZ2      TRP   4   0.512  -7.630  -5.919
   33    HZ3  TRP   4           HZ3      TRP   4  -0.928  -7.145  -1.927
   34    HH2  TRP   4           HH2      TRP   4  -0.047  -8.563  -3.713
   35    H    GLU   5           H        GLU   5   2.196  -2.389  -3.027
   36    HA   GLU   5           HA       GLU   5   3.277  -1.492  -5.593
   37    HB2  GLU   5           HB3      GLU   5   3.741   0.233  -3.826
   38    HB3  GLU   5           HB2      GLU   5   4.714  -0.977  -2.991
   39    HG2  GLU   5           HG3      GLU   5   6.378  -0.925  -4.562
   40    HG3  GLU   5           HG2      GLU   5   5.300  -0.383  -5.847
   41    H    ASN   6           H        ASN   6   4.226  -3.113  -6.566
   42    HA   ASN   6           HA       ASN   6   5.162  -5.157  -6.950
   43    HB2  ASN   6           HB3      ASN   6   7.075  -3.653  -6.357
   44    HB3  ASN   6           HB2      ASN   6   7.006  -4.303  -4.717
   45   HD21  ASN   6          HD21      ASN   6   6.786  -5.741  -7.957
   46   HD22  ASN   6          HD22      ASN   6   8.032  -6.910  -7.707
   47    H    GLY   7           H        GLY   7   2.967  -5.401  -5.102
   48    HA2  GLY   7           HA3      GLY   7   2.182  -7.424  -4.163
   49    HA3  GLY   7           HA2      GLY   7   3.836  -7.901  -3.865
   50    H    LYS   8           H        LYS   8   2.899  -4.712  -2.831
   51    HA   LYS   8           HA       LYS   8   2.373  -5.714  -0.132
   52    HB2  LYS   8           HB3      LYS   8   4.627  -3.867  -0.883
   53    HB3  LYS   8           HB2      LYS   8   3.993  -3.956   0.755
   54    HG2  LYS   8           HG3      LYS   8   4.998  -6.368  -0.724
   55    HG3  LYS   8           HG2      LYS   8   6.043  -5.341   0.260
   56    HD2  LYS   8           HD3      LYS   8   3.526  -6.616   1.312
   57    HD3  LYS   8           HD2      LYS   8   5.110  -7.389   1.409
   58    HE2  LYS   8           HE3      LYS   8   5.965  -5.503   2.693
   59    HE3  LYS   8           HE2      LYS   8   4.404  -4.693   2.565
   60    HZ1  LYS   8           HZ1      LYS   8   4.585  -5.762   4.690
   61    HZ2  LYS   8           HZ2      LYS   8   4.956  -7.248   3.974
   62    HZ3  LYS   8           HZ3      LYS   8   3.417  -6.576   3.776
   63    H    TRP   9           H        TRP   9   0.882  -4.624   0.941
   64    HA   TRP   9           HA       TRP   9  -0.252  -2.207  -0.254
   65    HB2  TRP   9           HB3      TRP   9  -1.199  -4.266   1.701
   66    HB3  TRP   9           HB2      TRP   9  -1.943  -2.684   1.732
   67    HD1  TRP   9           HD1      TRP   9  -2.372  -5.914   0.275
   68    HE1  TRP   9           HE1      TRP   9  -3.929  -5.868  -1.779
   69    HE3  TRP   9           HE3      TRP   9  -2.437  -0.882  -0.549
   70    HZ2  TRP   9           HZ2      TRP   9  -5.040  -3.934  -3.512
   71    HZ3  TRP   9           HZ3      TRP   9  -3.771  -0.010  -2.421
   72    HH2  TRP   9           HH2      TRP   9  -5.047  -1.504  -3.869
   73    H    THR  10           H        THR  10   0.137  -0.225   0.577
   74    HA   THR  10           HA       THR  10   1.106  -0.049   3.353
   75    HB   THR  10           HB       THR  10   2.290   2.103   2.102
   76    HG1  THR  10           HG1      THR  10   2.529  -0.150   0.398
   77   HG21  THR  10          HG21      THR  10   3.275   0.429   3.732
   78   HG22  THR  10          HG22      THR  10   4.351   1.073   2.491
   79   HG23  THR  10          HG23      THR  10   3.673  -0.546   2.316
   80    H    TRP  11           H        TRP  11   0.503   1.776   4.532
   81    HA   TRP  11           HA       TRP  11  -1.837   3.163   3.460
   82    HB2  TRP  11           HB3      TRP  11  -2.045   2.063   5.659
   83    HB3  TRP  11           HB2      TRP  11  -0.751   3.086   6.286
   84    HD1  TRP  11           HD1      TRP  11  -1.390   5.491   7.080
   85    HE1  TRP  11           HE1      TRP  11  -3.615   6.765   7.305
   86    HE3  TRP  11           HE3      TRP  11  -4.421   2.303   4.468
   87    HZ2  TRP  11           HZ2      TRP  11  -6.298   6.460   6.485
   88    HZ3  TRP  11           HZ3      TRP  11  -6.804   2.869   4.237
   89    HH2  TRP  11           HH2      TRP  11  -7.721   4.904   5.225
   90    H    LYS  12           H        LYS  12  -1.174   4.858   2.251
   91    HA   LYS  12           HA       LYS  12  -0.267   7.201   3.491
   92    HB2  LYS  12           HB3      LYS  12   1.849   5.612   3.288
   93    HB3  LYS  12           HB2      LYS  12   1.870   6.240   1.646
   94    HG2  LYS  12           HG3      LYS  12   1.533   8.350   3.599
   95    HG3  LYS  12           HG2      LYS  12   2.999   7.409   3.884
   96    HD2  LYS  12           HD3      LYS  12   3.995   8.154   2.000
   97    HD3  LYS  12           HD2      LYS  12   2.492   8.131   1.075
   98    HE2  LYS  12           HE3      LYS  12   2.670  10.161   3.208
   99    HE3  LYS  12           HE2      LYS  12   3.755  10.388   1.836
  100    HZ1  LYS  12           HZ1      LYS  12   1.816  10.229   0.365
  101    HZ2  LYS  12           HZ2      LYS  12   1.687  11.524   1.446
  102    HZ3  LYS  12           HZ3      LYS  12   0.801  10.108   1.714
  Start of MODEL   14
    1    H1   SER   1           HT1      SER   1  -6.163   6.674   3.184
    2    H2   SER   1           HT2      SER   1  -4.603   6.796   2.477
    3    H3   SER   1           HT3      SER   1  -4.889   5.672   3.742
    4    HA   SER   1           HA       SER   1  -6.609   4.680   2.218
    5    HB2  SER   1           HB3      SER   1  -5.564   5.116  -0.223
    6    HB3  SER   1           HB2      SER   1  -6.880   6.091   0.432
    7    HG   SER   1           HG       SER   1  -5.186   7.387  -0.390
    8    H    TRP   2           H        TRP   2  -5.718   3.040   0.501
    9    HA   TRP   2           HA       TRP   2  -3.193   1.984   1.598
   10    HB2  TRP   2           HB3      TRP   2  -5.630   0.640   0.445
   11    HB3  TRP   2           HB2      TRP   2  -4.094  -0.205   0.602
   12    HD1  TRP   2           HD1      TRP   2  -7.175   0.291   2.475
   13    HE1  TRP   2           HE1      TRP   2  -6.836  -0.243   4.974
   14    HE3  TRP   2           HE3      TRP   2  -2.087   0.270   2.589
   15    HZ2  TRP   2           HZ2      TRP   2  -4.666  -0.613   6.761
   16    HZ3  TRP   2           HZ3      TRP   2  -0.949  -0.162   4.710
   17    HH2  TRP   2           HH2      TRP   2  -2.206  -0.601   6.763
   18    H    THR   3           H        THR   3  -1.497   1.709   0.307
   19    HA   THR   3           HA       THR   3  -1.881   2.021  -2.598
   20    HB   THR   3           HB       THR   3   0.308   3.030  -2.726
   21    HG1  THR   3           HG1      THR   3   1.643   2.307  -1.272
   22   HG21  THR   3          HG21      THR   3  -0.585   4.478  -0.329
   23   HG22  THR   3          HG22      THR   3  -1.765   4.330  -1.632
   24   HG23  THR   3          HG23      THR   3  -0.196   5.071  -1.944
   25    H    TRP   4           H        TRP   4  -1.250   0.357  -3.845
   26    HA   TRP   4           HA       TRP   4   0.099  -1.880  -2.530
   27    HB2  TRP   4           HB3      TRP   4  -1.928  -2.538  -3.532
   28    HB3  TRP   4           HB2      TRP   4  -1.637  -1.568  -4.966
   29    HD1  TRP   4           HD1      TRP   4  -0.069  -2.603  -6.844
   30    HE1  TRP   4           HE1      TRP   4   0.593  -5.045  -7.358
   31    HE3  TRP   4           HE3      TRP   4  -1.349  -4.727  -2.390
   32    HZ2  TRP   4           HZ2      TRP   4   0.567  -7.543  -6.028
   33    HZ3  TRP   4           HZ3      TRP   4  -0.998  -7.139  -2.075
   34    HH2  TRP   4           HH2      TRP   4  -0.062  -8.521  -3.861
   35    H    GLU   5           H        GLU   5   2.171  -2.372  -2.986
   36    HA   GLU   5           HA       GLU   5   3.329  -1.429  -5.501
   37    HB2  GLU   5           HB3      GLU   5   3.703   0.164  -3.477
   38    HB3  GLU   5           HB2      GLU   5   4.881  -1.045  -2.968
   39    HG2  GLU   5           HG3      GLU   5   6.336   0.070  -4.220
   40    HG3  GLU   5           HG2      GLU   5   5.518  -0.647  -5.607
   41    H    ASN   6           H        ASN   6   4.299  -3.032  -6.480
   42    HA   ASN   6           HA       ASN   6   5.240  -5.069  -6.883
   43    HB2  ASN   6           HB3      ASN   6   7.066  -3.434  -5.921
   44    HB3  ASN   6           HB2      ASN   6   7.089  -4.592  -4.587
   45   HD21  ASN   6          HD21      ASN   6   7.263  -4.411  -8.117
   46   HD22  ASN   6          HD22      ASN   6   8.373  -5.721  -8.304
   47    H    GLY   7           H        GLY   7   2.997  -5.349  -5.095
   48    HA2  GLY   7           HA3      GLY   7   2.186  -7.391  -4.223
   49    HA3  GLY   7           HA2      GLY   7   3.831  -7.881  -3.900
   50    H    LYS   8           H        LYS   8   2.884  -4.716  -2.810
   51    HA   LYS   8           HA       LYS   8   2.258  -5.769  -0.158
   52    HB2  LYS   8           HB3      LYS   8   4.822  -4.773  -0.851
   53    HB3  LYS   8           HB2      LYS   8   4.075  -3.596   0.219
   54    HG2  LYS   8           HG3      LYS   8   4.309  -6.535   0.824
   55    HG3  LYS   8           HG2      LYS   8   5.434  -5.299   1.391
   56    HD2  LYS   8           HD3      LYS   8   4.010  -4.552   2.969
   57    HD3  LYS   8           HD2      LYS   8   2.601  -4.730   1.923
   58    HE2  LYS   8           HE3      LYS   8   3.995  -7.111   3.103
   59    HE3  LYS   8           HE2      LYS   8   2.764  -6.227   4.003
   60    HZ1  LYS   8           HZ1      LYS   8   1.204  -6.650   2.199
   61    HZ2  LYS   8           HZ2      LYS   8   1.803  -8.098   2.834
   62    HZ3  LYS   8           HZ3      LYS   8   2.386  -7.519   1.356
   63    H    TRP   9           H        TRP   9   0.751  -4.666   0.872
   64    HA   TRP   9           HA       TRP   9  -0.268  -2.195  -0.298
   65    HB2  TRP   9           HB3      TRP   9  -1.300  -4.230   1.640
   66    HB3  TRP   9           HB2      TRP   9  -2.000  -2.629   1.659
   67    HD1  TRP   9           HD1      TRP   9  -2.464  -5.848   0.172
   68    HE1  TRP   9           HE1      TRP   9  -3.998  -5.758  -1.898
   69    HE3  TRP   9           HE3      TRP   9  -2.450  -0.808  -0.595
   70    HZ2  TRP   9           HZ2      TRP   9  -5.062  -3.789  -3.621
   71    HZ3  TRP   9           HZ3      TRP   9  -3.751   0.104  -2.472
   72    HH2  TRP   9           HH2      TRP   9  -5.032  -1.355  -3.951
   73    H    THR  10           H        THR  10   0.169  -0.230   0.542
   74    HA   THR  10           HA       THR  10   1.114  -0.086   3.328
   75    HB   THR  10           HB       THR  10   2.177   1.852   1.330
   76    HG1  THR  10           HG1      THR  10   2.518  -0.142   0.320
   77   HG21  THR  10          HG21      THR  10   3.913   2.136   2.762
   78   HG22  THR  10          HG22      THR  10   3.843   0.477   3.356
   79   HG23  THR  10          HG23      THR  10   2.664   1.664   3.914
   80    H    TRP  11           H        TRP  11   0.477   1.687   4.526
   81    HA   TRP  11           HA       TRP  11  -1.802   3.144   3.446
   82    HB2  TRP  11           HB3      TRP  11  -1.985   2.083   5.672
   83    HB3  TRP  11           HB2      TRP  11  -0.674   3.110   6.257
   84    HD1  TRP  11           HD1      TRP  11  -1.278   5.551   6.981
   85    HE1  TRP  11           HE1      TRP  11  -3.493   6.840   7.220
   86    HE3  TRP  11           HE3      TRP  11  -4.384   2.294   4.547
   87    HZ2  TRP  11           HZ2      TRP  11  -6.197   6.520   6.476
   88    HZ3  TRP  11           HZ3      TRP  11  -6.769   2.862   4.356
   89    HH2  TRP  11           HH2      TRP  11  -7.656   4.931   5.302
   90    H    LYS  12           H        LYS  12  -1.125   4.802   2.195
   91    HA   LYS  12           HA       LYS  12  -0.063   7.117   3.425
   92    HB2  LYS  12           HB3      LYS  12   1.932   5.384   2.869
   93    HB3  LYS  12           HB2      LYS  12   1.842   6.239   1.335
   94    HG2  LYS  12           HG3      LYS  12   2.351   8.306   2.338
   95    HG3  LYS  12           HG2      LYS  12   2.063   7.676   3.961
   96    HD2  LYS  12           HD3      LYS  12   3.993   6.006   3.265
   97    HD3  LYS  12           HD2      LYS  12   4.412   7.324   2.168
   98    HE2  LYS  12           HE3      LYS  12   5.638   7.559   4.239
   99    HE3  LYS  12           HE2      LYS  12   4.468   8.869   4.084
  100    HZ1  LYS  12           HZ1      LYS  12   3.594   6.482   5.511
  101    HZ2  LYS  12           HZ2      LYS  12   3.253   8.110   5.815
  102    HZ3  LYS  12           HZ3      LYS  12   4.738   7.455   6.291
  Start of MODEL   15
    1    H1   SER   1           HT1      SER   1  -5.980   6.880   3.440
    2    H2   SER   1           HT2      SER   1  -4.604   6.975   2.419
    3    H3   SER   1           HT3      SER   1  -4.582   5.958   3.801
    4    HA   SER   1           HA       SER   1  -6.565   4.831   2.724
    5    HB2  SER   1           HB3      SER   1  -5.540   6.675   0.639
    6    HB3  SER   1           HB2      SER   1  -5.918   5.038   0.103
    7    HG   SER   1           HG       SER   1  -7.980   5.403   0.413
    8    H    TRP   2           H        TRP   2  -5.901   3.112   0.889
    9    HA   TRP   2           HA       TRP   2  -3.279   2.072   1.748
   10    HB2  TRP   2           HB3      TRP   2  -5.844   0.725   0.937
   11    HB3  TRP   2           HB2      TRP   2  -4.311  -0.136   0.895
   12    HD1  TRP   2           HD1      TRP   2  -7.095   0.453   3.175
   13    HE1  TRP   2           HE1      TRP   2  -6.414  -0.058   5.609
   14    HE3  TRP   2           HE3      TRP   2  -2.049   0.309   2.560
   15    HZ2  TRP   2           HZ2      TRP   2  -4.017  -0.457   7.073
   16    HZ3  TRP   2           HZ3      TRP   2  -0.626  -0.121   4.500
   17    HH2  TRP   2           HH2      TRP   2  -1.583  -0.504   6.721
   18    H    THR   3           H        THR   3  -1.729   1.758   0.302
   19    HA   THR   3           HA       THR   3  -2.419   1.843  -2.561
   20    HB   THR   3           HB       THR   3  -1.316   3.915  -2.025
   21    HG1  THR   3           HG1      THR   3   0.580   3.679  -3.295
   22   HG21  THR   3          HG21      THR   3   1.035   3.894  -1.149
   23   HG22  THR   3          HG22      THR   3   0.753   2.221  -0.664
   24   HG23  THR   3          HG23      THR   3  -0.225   3.516   0.026
   25    H    TRP   4           H        TRP   4  -1.732   0.127  -3.716
   26    HA   TRP   4           HA       TRP   4  -0.177  -1.898  -2.329
   27    HB2  TRP   4           HB3      TRP   4  -2.095  -2.745  -3.392
   28    HB3  TRP   4           HB2      TRP   4  -1.831  -1.783  -4.836
   29    HD1  TRP   4           HD1      TRP   4   0.173  -2.657  -6.492
   30    HE1  TRP   4           HE1      TRP   4   0.918  -5.079  -6.991
   31    HE3  TRP   4           HE3      TRP   4  -1.798  -4.956  -2.392
   32    HZ2  TRP   4           HZ2      TRP   4   0.684  -7.631  -5.786
   33    HZ3  TRP   4           HZ3      TRP   4  -1.502  -7.385  -2.129
   34    HH2  TRP   4           HH2      TRP   4  -0.284  -8.694  -3.794
   35    H    GLU   5           H        GLU   5   1.933  -2.223  -2.656
   36    HA   GLU   5           HA       GLU   5   3.163  -1.330  -5.155
   37    HB2  GLU   5           HB3      GLU   5   4.025  -0.452  -2.401
   38    HB3  GLU   5           HB2      GLU   5   5.050  -0.308  -3.829
   39    HG2  GLU   5           HG3      GLU   5   3.496   1.191  -4.865
   40    HG3  GLU   5           HG2      GLU   5   2.324   0.942  -3.572
   41    H    ASN   6           H        ASN   6   4.897  -2.493  -5.825
   42    HA   ASN   6           HA       ASN   6   6.134  -4.398  -6.074
   43    HB2  ASN   6           HB3      ASN   6   7.199  -2.789  -4.151
   44    HB3  ASN   6           HB2      ASN   6   7.084  -4.324  -3.286
   45   HD21  ASN   6          HD21      ASN   6   8.144  -2.996  -6.398
   46   HD22  ASN   6          HD22      ASN   6   9.529  -4.017  -6.557
   47    H    GLY   7           H        GLY   7   3.456  -5.003  -5.271
   48    HA2  GLY   7           HA3      GLY   7   2.376  -6.998  -4.821
   49    HA3  GLY   7           HA2      GLY   7   3.915  -7.692  -4.361
   50    H    LYS   8           H        LYS   8   2.991  -4.741  -2.796
   51    HA   LYS   8           HA       LYS   8   1.853  -6.190  -0.528
   52    HB2  LYS   8           HB3      LYS   8   3.406  -5.202   1.067
   53    HB3  LYS   8           HB2      LYS   8   4.270  -6.170  -0.119
   54    HG2  LYS   8           HG3      LYS   8   5.214  -4.327  -1.137
   55    HG3  LYS   8           HG2      LYS   8   3.970  -3.230  -0.536
   56    HD2  LYS   8           HD3      LYS   8   6.082  -4.576   1.148
   57    HD3  LYS   8           HD2      LYS   8   6.124  -2.899   0.602
   58    HE2  LYS   8           HE3      LYS   8   3.755  -2.828   1.759
   59    HE3  LYS   8           HE2      LYS   8   4.410  -4.190   2.666
   60    HZ1  LYS   8           HZ1      LYS   8   5.930  -1.674   2.400
   61    HZ2  LYS   8           HZ2      LYS   8   6.078  -2.883   3.574
   62    HZ3  LYS   8           HZ3      LYS   8   4.742  -1.847   3.592
   63    H    TRP   9           H        TRP   9   0.482  -5.021   0.735
   64    HA   TRP   9           HA       TRP   9  -0.457  -2.505  -0.332
   65    HB2  TRP   9           HB3      TRP   9  -1.387  -4.444   1.745
   66    HB3  TRP   9           HB2      TRP   9  -2.018  -2.817   1.790
   67    HD1  TRP   9           HD1      TRP   9  -2.562  -6.052   0.271
   68    HE1  TRP   9           HE1      TRP   9  -4.333  -5.942  -1.601
   69    HE3  TRP   9           HE3      TRP   9  -2.842  -0.991  -0.235
   70    HZ2  TRP   9           HZ2      TRP   9  -5.671  -3.946  -3.087
   71    HZ3  TRP   9           HZ3      TRP   9  -4.390  -0.054  -1.900
   72    HH2  TRP   9           HH2      TRP   9  -5.777  -1.501  -3.293
   73    H    THR  10           H        THR  10   0.104  -0.537   0.381
   74    HA   THR  10           HA       THR  10   1.295  -0.302   3.065
   75    HB   THR  10           HB       THR  10   2.241   1.564   0.963
   76    HG1  THR  10           HG1      THR  10   2.889  -1.184   1.021
   77   HG21  THR  10          HG21      THR  10   3.212   0.456   3.484
   78   HG22  THR  10          HG22      THR  10   3.549   2.006   2.714
   79   HG23  THR  10          HG23      THR  10   4.431   0.563   2.214
   80    H    TRP  11           H        TRP  11   0.854   1.585   4.207
   81    HA   TRP  11           HA       TRP  11  -1.515   3.014   3.300
   82    HB2  TRP  11           HB3      TRP  11  -1.478   2.136   5.594
   83    HB3  TRP  11           HB2      TRP  11  -0.051   3.112   5.950
   84    HD1  TRP  11           HD1      TRP  11  -0.426   5.631   6.566
   85    HE1  TRP  11           HE1      TRP  11  -2.522   7.058   7.005
   86    HE3  TRP  11           HE3      TRP  11  -3.989   2.416   4.793
   87    HZ2  TRP  11           HZ2      TRP  11  -5.313   6.851   6.649
   88    HZ3  TRP  11           HZ3      TRP  11  -6.348   3.109   4.880
   89    HH2  TRP  11           HH2      TRP  11  -6.995   5.280   5.789
   90    H    LYS  12           H        LYS  12  -0.994   4.579   1.872
   91    HA   LYS  12           HA       LYS  12   0.171   6.971   2.761
   92    HB2  LYS  12           HB3      LYS  12   2.157   5.223   2.310
   93    HB3  LYS  12           HB2      LYS  12   1.961   5.845   0.677
   94    HG2  LYS  12           HG3      LYS  12   3.505   7.316   1.446
   95    HG3  LYS  12           HG2      LYS  12   2.041   8.167   1.945
   96    HD2  LYS  12           HD3      LYS  12   2.250   7.367   4.182
   97    HD3  LYS  12           HD2      LYS  12   3.542   6.256   3.726
   98    HE2  LYS  12           HE3      LYS  12   4.028   9.091   3.102
   99    HE3  LYS  12           HE2      LYS  12   3.945   8.699   4.819
  100    HZ1  LYS  12           HZ1      LYS  12   5.593   7.028   3.054
  101    HZ2  LYS  12           HZ2      LYS  12   5.789   7.372   4.698
  102    HZ3  LYS  12           HZ3      LYS  12   6.187   8.537   3.538
  Start of MODEL   16
    1    H1   SER   1           HT1      SER   1  -4.876   5.637   3.680
    2    H2   SER   1           HT2      SER   1  -6.096   6.683   3.075
    3    H3   SER   1           HT3      SER   1  -4.495   6.783   2.464
    4    HA   SER   1           HA       SER   1  -6.524   4.717   2.040
    5    HB2  SER   1           HB3      SER   1  -6.370   6.682   0.528
    6    HB3  SER   1           HB2      SER   1  -4.689   6.269   0.192
    7    HG   SER   1           HG       SER   1  -5.318   4.688  -1.069
    8    H    TRP   2           H        TRP   2  -5.621   3.054   0.402
    9    HA   TRP   2           HA       TRP   2  -3.122   1.979   1.542
   10    HB2  TRP   2           HB3      TRP   2  -5.555   0.646   0.363
   11    HB3  TRP   2           HB2      TRP   2  -4.032  -0.210   0.562
   12    HD1  TRP   2           HD1      TRP   2  -7.144   0.348   2.371
   13    HE1  TRP   2           HE1      TRP   2  -6.856  -0.161   4.882
   14    HE3  TRP   2           HE3      TRP   2  -2.062   0.251   2.573
   15    HZ2  TRP   2           HZ2      TRP   2  -4.723  -0.544   6.711
   16    HZ3  TRP   2           HZ3      TRP   2  -0.965  -0.174   4.716
   17    HH2  TRP   2           HH2      TRP   2  -2.263  -0.570   6.753
   18    H    THR   3           H        THR   3  -1.412   1.688   0.275
   19    HA   THR   3           HA       THR   3  -1.755   1.988  -2.635
   20    HB   THR   3           HB       THR   3   0.469   2.935  -2.732
   21    HG1  THR   3           HG1      THR   3   1.793   3.023  -1.013
   22   HG21  THR   3          HG21      THR   3  -0.859   4.745  -2.348
   23   HG22  THR   3          HG22      THR   3   0.208   4.835  -0.947
   24   HG23  THR   3          HG23      THR   3  -1.409   4.152  -0.781
   25    H    TRP   4           H        TRP   4  -1.145   0.310  -3.873
   26    HA   TRP   4           HA       TRP   4   0.180  -1.937  -2.539
   27    HB2  TRP   4           HB3      TRP   4  -1.890  -2.575  -3.472
   28    HB3  TRP   4           HB2      TRP   4  -1.614  -1.647  -4.937
   29    HD1  TRP   4           HD1      TRP   4  -0.134  -2.761  -6.831
   30    HE1  TRP   4           HE1      TRP   4   0.474  -5.227  -7.298
   31    HE3  TRP   4           HE3      TRP   4  -1.298  -4.739  -2.280
   32    HZ2  TRP   4           HZ2      TRP   4   0.453  -7.687  -5.897
   33    HZ3  TRP   4           HZ3      TRP   4  -0.973  -7.147  -1.908
   34    HH2  TRP   4           HH2      TRP   4  -0.119  -8.593  -3.684
   35    H    GLU   5           H        GLU   5   2.231  -2.462  -3.044
   36    HA   GLU   5           HA       GLU   5   3.329  -1.586  -5.610
   37    HB2  GLU   5           HB3      GLU   5   3.793   0.090  -3.731
   38    HB3  GLU   5           HB2      GLU   5   4.869  -1.138  -3.065
   39    HG2  GLU   5           HG3      GLU   5   5.532  -0.887  -5.784
   40    HG3  GLU   5           HG2      GLU   5   5.343   0.750  -5.159
   41    H    ASN   6           H        ASN   6   4.247  -3.227  -6.581
   42    HA   ASN   6           HA       ASN   6   5.148  -5.288  -6.959
   43    HB2  ASN   6           HB3      ASN   6   6.984  -3.602  -5.834
   44    HB3  ASN   6           HB2      ASN   6   7.124  -5.030  -4.804
   45   HD21  ASN   6          HD21      ASN   6   6.749  -7.085  -6.472
   46   HD22  ASN   6          HD22      ASN   6   7.962  -7.112  -7.703
   47    H    GLY   7           H        GLY   7   2.951  -5.488  -5.108
   48    HA2  GLY   7           HA3      GLY   7   2.133  -7.495  -4.161
   49    HA3  GLY   7           HA2      GLY   7   3.779  -7.998  -3.863
   50    H    LYS   8           H        LYS   8   2.898  -4.790  -2.844
   51    HA   LYS   8           HA       LYS   8   2.364  -5.769  -0.138
   52    HB2  LYS   8           HB3      LYS   8   4.573  -3.832  -0.831
   53    HB3  LYS   8           HB2      LYS   8   4.016  -4.160   0.804
   54    HG2  LYS   8           HG3      LYS   8   4.531  -6.672  -0.136
   55    HG3  LYS   8           HG2      LYS   8   5.781  -5.711  -0.928
   56    HD2  LYS   8           HD3      LYS   8   6.784  -6.322   1.077
   57    HD3  LYS   8           HD2      LYS   8   6.169  -4.704   1.421
   58    HE2  LYS   8           HE3      LYS   8   5.591  -6.033   3.286
   59    HE3  LYS   8           HE2      LYS   8   4.107  -5.825   2.356
   60    HZ1  LYS   8           HZ1      LYS   8   5.783  -8.228   2.656
   61    HZ2  LYS   8           HZ2      LYS   8   4.803  -8.049   1.289
   62    HZ3  LYS   8           HZ3      LYS   8   4.107  -8.066   2.831
   63    H    TRP   9           H        TRP   9   0.897  -4.651   0.941
   64    HA   TRP   9           HA       TRP   9  -0.218  -2.231  -0.268
   65    HB2  TRP   9           HB3      TRP   9  -1.185  -4.273   1.695
   66    HB3  TRP   9           HB2      TRP   9  -1.910  -2.682   1.725
   67    HD1  TRP   9           HD1      TRP   9  -2.394  -5.907   0.283
   68    HE1  TRP   9           HE1      TRP   9  -3.951  -5.845  -1.771
   69    HE3  TRP   9           HE3      TRP   9  -2.371  -0.879  -0.569
   70    HZ2  TRP   9           HZ2      TRP   9  -5.027  -3.901  -3.515
   71    HZ3  TRP   9           HZ3      TRP   9  -3.690   0.006  -2.447
   72    HH2  TRP   9           HH2      TRP   9  -4.992  -1.474  -3.886
   73    H    THR  10           H        THR  10   0.189  -0.249   0.552
   74    HA   THR  10           HA       THR  10   1.170  -0.066   3.323
   75    HB   THR  10           HB       THR  10   2.170   1.924   1.364
   76    HG1  THR  10           HG1      THR  10   3.185  -0.720   1.478
   77   HG21  THR  10          HG21      THR  10   4.021   0.488   3.121
   78   HG22  THR  10          HG22      THR  10   2.769   1.415   3.947
   79   HG23  THR  10          HG23      THR  10   3.851   2.216   2.808
   80    H    TRP  11           H        TRP  11   0.501   1.692   4.524
   81    HA   TRP  11           HA       TRP  11  -1.823   3.091   3.467
   82    HB2  TRP  11           HB3      TRP  11  -1.962   2.055   5.701
   83    HB3  TRP  11           HB2      TRP  11  -0.648   3.094   6.258
   84    HD1  TRP  11           HD1      TRP  11  -1.289   5.455   7.119
   85    HE1  TRP  11           HE1      TRP  11  -3.495   6.762   7.332
   86    HE3  TRP  11           HE3      TRP  11  -4.337   2.354   4.423
   87    HZ2  TRP  11           HZ2      TRP  11  -6.172   6.513   6.473
   88    HZ3  TRP  11           HZ3      TRP  11  -6.706   2.963   4.168
   89    HH2  TRP  11           HH2      TRP  11  -7.604   4.999   5.172
   90    H    LYS  12           H        LYS  12  -1.283   4.797   2.237
   91    HA   LYS  12           HA       LYS  12  -0.265   7.141   3.400
   92    HB2  LYS  12           HB3      LYS  12   1.797   5.473   2.913
   93    HB3  LYS  12           HB2      LYS  12   1.694   6.277   1.352
   94    HG2  LYS  12           HG3      LYS  12   1.566   8.395   3.045
   95    HG3  LYS  12           HG2      LYS  12   2.610   7.292   3.942
   96    HD2  LYS  12           HD3      LYS  12   4.273   7.373   2.373
   97    HD3  LYS  12           HD2      LYS  12   3.153   7.684   1.045
   98    HE2  LYS  12           HE3      LYS  12   3.889   9.672   3.190
   99    HE3  LYS  12           HE2      LYS  12   4.599   9.621   1.577
  100    HZ1  LYS  12           HZ1      LYS  12   2.919  11.221   1.464
  101    HZ2  LYS  12           HZ2      LYS  12   1.815  10.276   2.330
  102    HZ3  LYS  12           HZ3      LYS  12   2.232   9.851   0.747
  Start of MODEL   17
    1    H1   SER   1           HT1      SER   1  -4.645   5.881   3.800
    2    H2   SER   1           HT2      SER   1  -6.022   6.820   3.389
    3    H3   SER   1           HT3      SER   1  -4.593   6.928   2.444
    4    HA   SER   1           HA       SER   1  -6.572   4.784   2.607
    5    HB2  SER   1           HB3      SER   1  -5.145   5.867   0.189
    6    HB3  SER   1           HB2      SER   1  -6.744   5.131   0.294
    7    HG   SER   1           HG       SER   1  -6.110   7.706   0.407
    8    H    TRP   2           H        TRP   2  -5.852   3.085   0.800
    9    HA   TRP   2           HA       TRP   2  -3.246   2.049   1.711
   10    HB2  TRP   2           HB3      TRP   2  -5.782   0.693   0.819
   11    HB3  TRP   2           HB2      TRP   2  -4.243  -0.158   0.828
   12    HD1  TRP   2           HD1      TRP   2  -7.108   0.403   3.010
   13    HE1  TRP   2           HE1      TRP   2  -6.509  -0.108   5.466
   14    HE3  TRP   2           HE3      TRP   2  -2.041   0.302   2.574
   15    HZ2  TRP   2           HZ2      TRP   2  -4.162  -0.491   7.013
   16    HZ3  TRP   2           HZ3      TRP   2  -0.685  -0.123   4.563
   17    HH2  TRP   2           HH2      TRP   2  -1.717  -0.518   6.747
   18    H    THR   3           H        THR   3  -1.663   1.750   0.297
   19    HA   THR   3           HA       THR   3  -2.288   1.882  -2.580
   20    HB   THR   3           HB       THR   3  -0.164   3.010  -2.944
   21    HG1  THR   3           HG1      THR   3   1.068   2.163  -1.288
   22   HG21  THR   3          HG21      THR   3  -2.163   4.194  -1.166
   23   HG22  THR   3          HG22      THR   3  -1.452   4.811  -2.658
   24   HG23  THR   3          HG23      THR   3  -0.582   4.976  -1.133
   25    H    TRP   4           H        TRP   4  -1.617   0.172  -3.750
   26    HA   TRP   4           HA       TRP   4  -0.097  -1.893  -2.369
   27    HB2  TRP   4           HB3      TRP   4  -2.051  -2.709  -3.391
   28    HB3  TRP   4           HB2      TRP   4  -1.797  -1.759  -4.845
   29    HD1  TRP   4           HD1      TRP   4   0.133  -2.684  -6.548
   30    HE1  TRP   4           HE1      TRP   4   0.835  -5.118  -7.041
   31    HE3  TRP   4           HE3      TRP   4  -1.742  -4.917  -2.364
   32    HZ2  TRP   4           HZ2      TRP   4   0.611  -7.653  -5.801
   33    HZ3  TRP   4           HZ3      TRP   4  -1.459  -7.343  -2.082
   34    HH2  TRP   4           HH2      TRP   4  -0.308  -8.684  -3.769
   35    H    GLU   5           H        GLU   5   2.005  -2.253  -2.737
   36    HA   GLU   5           HA       GLU   5   3.193  -1.384  -5.265
   37    HB2  GLU   5           HB3      GLU   5   3.842  -0.325  -2.561
   38    HB3  GLU   5           HB2      GLU   5   5.176  -0.579  -3.686
   39    HG2  GLU   5           HG3      GLU   5   3.394   0.728  -5.261
   40    HG3  GLU   5           HG2      GLU   5   3.059   1.446  -3.686
   41    H    ASN   6           H        ASN   6   4.782  -2.653  -6.018
   42    HA   ASN   6           HA       ASN   6   5.956  -4.594  -6.289
   43    HB2  ASN   6           HB3      ASN   6   7.366  -2.995  -4.818
   44    HB3  ASN   6           HB2      ASN   6   7.004  -4.128  -3.513
   45   HD21  ASN   6          HD21      ASN   6   7.877  -4.418  -6.945
   46   HD22  ASN   6          HD22      ASN   6   9.171  -5.534  -6.695
   47    H    GLY   7           H        GLY   7   3.336  -5.117  -5.252
   48    HA2  GLY   7           HA3      GLY   7   2.290  -7.106  -4.677
   49    HA3  GLY   7           HA2      GLY   7   3.849  -7.771  -4.250
   50    H    LYS   8           H        LYS   8   2.976  -4.745  -2.795
   51    HA   LYS   8           HA       LYS   8   1.961  -6.101  -0.412
   52    HB2  LYS   8           HB3      LYS   8   4.396  -4.314  -0.409
   53    HB3  LYS   8           HB2      LYS   8   3.564  -4.870   1.036
   54    HG2  LYS   8           HG3      LYS   8   4.824  -6.687  -1.006
   55    HG3  LYS   8           HG2      LYS   8   5.600  -6.165   0.491
   56    HD2  LYS   8           HD3      LYS   8   3.016  -7.713   0.294
   57    HD3  LYS   8           HD2      LYS   8   4.590  -8.390   0.717
   58    HE2  LYS   8           HE3      LYS   8   4.643  -6.746   2.633
   59    HE3  LYS   8           HE2      LYS   8   2.953  -6.398   2.270
   60    HZ1  LYS   8           HZ1      LYS   8   2.618  -8.045   3.745
   61    HZ2  LYS   8           HZ2      LYS   8   4.138  -8.746   3.502
   62    HZ3  LYS   8           HZ3      LYS   8   2.884  -9.049   2.408
   63    H    TRP   9           H        TRP   9   0.540  -4.953   0.763
   64    HA   TRP   9           HA       TRP   9  -0.414  -2.444  -0.316
   65    HB2  TRP   9           HB3      TRP   9  -1.354  -4.399   1.742
   66    HB3  TRP   9           HB2      TRP   9  -2.002  -2.777   1.781
   67    HD1  TRP   9           HD1      TRP   9  -2.553  -6.016   0.300
   68    HE1  TRP   9           HE1      TRP   9  -4.279  -5.917  -1.614
   69    HE3  TRP   9           HE3      TRP   9  -2.735  -0.961  -0.325
   70    HZ2  TRP   9           HZ2      TRP   9  -5.550  -3.934  -3.174
   71    HZ3  TRP   9           HZ3      TRP   9  -4.230  -0.038  -2.045
   72    HH2  TRP   9           HH2      TRP   9  -5.610  -1.493  -3.437
   73    H    THR  10           H        THR  10   0.125  -0.473   0.419
   74    HA   THR  10           HA       THR  10   1.272  -0.249   3.121
   75    HB   THR  10           HB       THR  10   2.574   1.744   1.911
   76    HG1  THR  10           HG1      THR  10   2.903   1.427  -0.165
   77   HG21  THR  10          HG21      THR  10   3.262  -0.924   2.652
   78   HG22  THR  10          HG22      THR  10   4.265   0.527   2.636
   79   HG23  THR  10          HG23      THR  10   4.133  -0.470   1.187
   80    H    TRP  11           H        TRP  11   0.741   1.574   4.296
   81    HA   TRP  11           HA       TRP  11  -1.602   3.011   3.354
   82    HB2  TRP  11           HB3      TRP  11  -1.581   2.115   5.645
   83    HB3  TRP  11           HB2      TRP  11  -0.176   3.114   6.024
   84    HD1  TRP  11           HD1      TRP  11  -0.609   5.602   6.693
   85    HE1  TRP  11           HE1      TRP  11  -2.733   7.000   7.088
   86    HE3  TRP  11           HE3      TRP  11  -4.077   2.386   4.741
   87    HZ2  TRP  11           HZ2      TRP  11  -5.509   6.771   6.634
   88    HZ3  TRP  11           HZ3      TRP  11  -6.444   3.054   4.762
   89    HH2  TRP  11           HH2      TRP  11  -7.144   5.201   5.689
   90    H    LYS  12           H        LYS  12  -1.055   4.575   1.929
   91    HA   LYS  12           HA       LYS  12   0.043   6.985   2.839
   92    HB2  LYS  12           HB3      LYS  12   2.059   5.215   2.411
   93    HB3  LYS  12           HB2      LYS  12   1.941   5.960   0.823
   94    HG2  LYS  12           HG3      LYS  12   2.135   8.186   1.941
   95    HG3  LYS  12           HG2      LYS  12   2.465   7.330   3.449
   96    HD2  LYS  12           HD3      LYS  12   4.611   7.583   2.772
   97    HD3  LYS  12           HD2      LYS  12   4.249   6.121   1.853
   98    HE2  LYS  12           HE3      LYS  12   3.808   7.393  -0.124
   99    HE3  LYS  12           HE2      LYS  12   3.907   8.910   0.768
  100    HZ1  LYS  12           HZ1      LYS  12   6.068   7.118  -0.091
  101    HZ2  LYS  12           HZ2      LYS  12   6.291   8.056   1.298
  102    HZ3  LYS  12           HZ3      LYS  12   5.970   8.804  -0.184
  Start of MODEL   18
    1    H1   SER   1           HT1      SER   1  -4.855   5.694   3.740
    2    H2   SER   1           HT2      SER   1  -6.081   6.744   3.157
    3    H3   SER   1           HT3      SER   1  -4.488   6.847   2.527
    4    HA   SER   1           HA       SER   1  -6.528   4.791   2.111
    5    HB2  SER   1           HB3      SER   1  -4.985   6.784   0.517
    6    HB3  SER   1           HB2      SER   1  -5.407   5.264  -0.270
    7    HG   SER   1           HG       SER   1  -6.939   7.280  -0.145
    8    H    TRP   2           H        TRP   2  -5.643   3.139   0.448
    9    HA   TRP   2           HA       TRP   2  -3.151   2.034   1.570
   10    HB2  TRP   2           HB3      TRP   2  -5.602   0.736   0.394
   11    HB3  TRP   2           HB2      TRP   2  -4.085  -0.137   0.565
   12    HD1  TRP   2           HD1      TRP   2  -7.172   0.419   2.413
   13    HE1  TRP   2           HE1      TRP   2  -6.863  -0.123   4.914
   14    HE3  TRP   2           HE3      TRP   2  -2.088   0.292   2.565
   15    HZ2  TRP   2           HZ2      TRP   2  -4.714  -0.538   6.718
   16    HZ3  TRP   2           HZ3      TRP   2  -0.973  -0.163   4.694
   17    HH2  TRP   2           HH2      TRP   2  -2.254  -0.576   6.738
   18    H    THR   3           H        THR   3  -1.447   1.739   0.296
   19    HA   THR   3           HA       THR   3  -1.799   2.054  -2.611
   20    HB   THR   3           HB       THR   3  -0.547   3.924  -1.785
   21    HG1  THR   3           HG1      THR   3   0.484   3.411  -3.573
   22   HG21  THR   3          HG21      THR   3   0.925   1.895  -0.183
   23   HG22  THR   3          HG22      THR   3   0.300   3.475   0.291
   24   HG23  THR   3          HG23      THR   3   1.754   3.363  -0.701
   25    H    TRP   4           H        TRP   4  -1.179   0.386  -3.853
   26    HA   TRP   4           HA       TRP   4   0.146  -1.865  -2.532
   27    HB2  TRP   4           HB3      TRP   4  -1.897  -2.508  -3.511
   28    HB3  TRP   4           HB2      TRP   4  -1.610  -1.548  -4.953
   29    HD1  TRP   4           HD1      TRP   4  -0.072  -2.610  -6.842
   30    HE1  TRP   4           HE1      TRP   4   0.557  -5.062  -7.349
   31    HE3  TRP   4           HE3      TRP   4  -1.331  -4.695  -2.364
   32    HZ2  TRP   4           HZ2      TRP   4   0.514  -7.553  -6.006
   33    HZ3  TRP   4           HZ3      TRP   4  -1.006  -7.110  -2.040
   34    HH2  TRP   4           HH2      TRP   4  -0.105  -8.512  -3.828
   35    H    GLU   5           H        GLU   5   2.207  -2.380  -3.004
   36    HA   GLU   5           HA       GLU   5   3.352  -1.465  -5.536
   37    HB2  GLU   5           HB3      GLU   5   3.758   0.050  -3.373
   38    HB3  GLU   5           HB2      GLU   5   5.060  -1.115  -3.134
   39    HG2  GLU   5           HG3      GLU   5   6.152  -0.484  -5.078
   40    HG3  GLU   5           HG2      GLU   5   4.708   0.254  -5.768
   41    H    ASN   6           H        ASN   6   4.300  -3.082  -6.513
   42    HA   ASN   6           HA       ASN   6   5.215  -5.132  -6.910
   43    HB2  ASN   6           HB3      ASN   6   7.042  -3.479  -5.845
   44    HB3  ASN   6           HB2      ASN   6   7.114  -4.789  -4.662
   45   HD21  ASN   6          HD21      ASN   6   7.218  -4.148  -8.137
   46   HD22  ASN   6          HD22      ASN   6   8.311  -5.430  -8.519
   47    H    GLY   7           H        GLY   7   2.981  -5.379  -5.107
   48    HA2  GLY   7           HA3      GLY   7   2.155  -7.408  -4.217
   49    HA3  GLY   7           HA2      GLY   7   3.798  -7.911  -3.900
   50    H    LYS   8           H        LYS   8   2.886  -4.730  -2.824
   51    HA   LYS   8           HA       LYS   8   2.282  -5.768  -0.159
   52    HB2  LYS   8           HB3      LYS   8   4.841  -4.886  -0.841
   53    HB3  LYS   8           HB2      LYS   8   4.133  -3.552   0.058
   54    HG2  LYS   8           HG3      LYS   8   4.167  -6.392   1.046
   55    HG3  LYS   8           HG2      LYS   8   5.410  -5.200   1.431
   56    HD2  LYS   8           HD3      LYS   8   3.837  -3.814   2.566
   57    HD3  LYS   8           HD2      LYS   8   2.479  -4.781   1.987
   58    HE2  LYS   8           HE3      LYS   8   2.780  -5.474   4.200
   59    HE3  LYS   8           HE2      LYS   8   3.566  -6.726   3.240
   60    HZ1  LYS   8           HZ1      LYS   8   5.670  -5.342   3.620
   61    HZ2  LYS   8           HZ2      LYS   8   5.087  -6.272   4.907
   62    HZ3  LYS   8           HZ3      LYS   8   4.804  -4.605   4.874
   63    H    TRP   9           H        TRP   9   0.794  -4.659   0.894
   64    HA   TRP   9           HA       TRP   9  -0.253  -2.200  -0.283
   65    HB2  TRP   9           HB3      TRP   9  -1.269  -4.248   1.648
   66    HB3  TRP   9           HB2      TRP   9  -1.974  -2.648   1.685
   67    HD1  TRP   9           HD1      TRP   9  -2.442  -5.855   0.176
   68    HE1  TRP   9           HE1      TRP   9  -3.986  -5.752  -1.886
   69    HE3  TRP   9           HE3      TRP   9  -2.437  -0.809  -0.556
   70    HZ2  TRP   9           HZ2      TRP   9  -5.062  -3.773  -3.590
   71    HZ3  TRP   9           HZ3      TRP   9  -3.748   0.113  -2.420
   72    HH2  TRP   9           HH2      TRP   9  -5.035  -1.337  -3.903
   73    H    THR  10           H        THR  10   0.176  -0.234   0.558
   74    HA   THR  10           HA       THR  10   1.135  -0.089   3.339
   75    HB   THR  10           HB       THR  10   2.179   1.904   1.407
   76    HG1  THR  10           HG1      THR  10   3.081   0.483   0.185
   77   HG21  THR  10          HG21      THR  10   4.314   1.292   2.684
   78   HG22  THR  10          HG22      THR  10   3.233   0.456   3.799
   79   HG23  THR  10          HG23      THR  10   3.056   2.190   3.532
   80    H    TRP  11           H        TRP  11   0.518   1.702   4.536
   81    HA   TRP  11           HA       TRP  11  -1.791   3.131   3.477
   82    HB2  TRP  11           HB3      TRP  11  -1.962   2.077   5.699
   83    HB3  TRP  11           HB2      TRP  11  -0.636   3.090   6.276
   84    HD1  TRP  11           HD1      TRP  11  -1.234   5.480   7.110
   85    HE1  TRP  11           HE1      TRP  11  -3.427   6.805   7.344
   86    HE3  TRP  11           HE3      TRP  11  -4.342   2.386   4.473
   87    HZ2  TRP  11           HZ2      TRP  11  -6.116   6.573   6.522
   88    HZ3  TRP  11           HZ3      TRP  11  -6.710   3.013   4.246
   89    HH2  TRP  11           HH2      TRP  11  -7.577   5.063   5.250
   90    H    LYS  12           H        LYS  12  -1.232   4.848   2.276
   91    HA   LYS  12           HA       LYS  12  -0.177   7.161   3.467
   92    HB2  LYS  12           HB3      LYS  12   1.865   5.485   2.981
   93    HB3  LYS  12           HB2      LYS  12   1.766   6.268   1.409
   94    HG2  LYS  12           HG3      LYS  12   1.871   7.886   3.923
   95    HG3  LYS  12           HG2      LYS  12   3.342   7.248   3.186
   96    HD2  LYS  12           HD3      LYS  12   1.511   8.595   1.324
   97    HD3  LYS  12           HD2      LYS  12   2.210   9.640   2.562
   98    HE2  LYS  12           HE3      LYS  12   3.972   7.763   1.050
   99    HE3  LYS  12           HE2      LYS  12   3.448   9.264   0.288
  100    HZ1  LYS  12           HZ1      LYS  12   5.631   9.142   1.715
  101    HZ2  LYS  12           HZ2      LYS  12   4.555   9.413   2.992
  102    HZ3  LYS  12           HZ3      LYS  12   4.656  10.525   1.722
  Start of MODEL   19
    1    H1   SER   1           HT1      SER   1  -5.912   6.934   3.471
    2    H2   SER   1           HT2      SER   1  -4.544   7.031   2.438
    3    H3   SER   1           HT3      SER   1  -4.515   6.001   3.810
    4    HA   SER   1           HA       SER   1  -6.521   4.903   2.737
    5    HB2  SER   1           HB3      SER   1  -5.444   6.717   0.639
    6    HB3  SER   1           HB2      SER   1  -5.914   5.098   0.122
    7    HG   SER   1           HG       SER   1  -7.972   5.498   0.678
    8    H    TRP   2           H        TRP   2  -5.877   3.185   0.891
    9    HA   TRP   2           HA       TRP   2  -3.268   2.111   1.749
   10    HB2  TRP   2           HB3      TRP   2  -5.844   0.794   0.923
   11    HB3  TRP   2           HB2      TRP   2  -4.319  -0.081   0.888
   12    HD1  TRP   2           HD1      TRP   2  -7.111   0.531   3.153
   13    HE1  TRP   2           HE1      TRP   2  -6.448   0.007   5.590
   14    HE3  TRP   2           HE3      TRP   2  -2.063   0.334   2.566
   15    HZ2  TRP   2           HZ2      TRP   2  -4.064  -0.422   7.066
   16    HZ3  TRP   2           HZ3      TRP   2  -0.656  -0.117   4.513
   17    HH2  TRP   2           HH2      TRP   2  -1.628  -0.494   6.727
   18    H    THR   3           H        THR   3  -1.720   1.786   0.305
   19    HA   THR   3           HA       THR   3  -2.402   1.882  -2.558
   20    HB   THR   3           HB       THR   3  -0.356   3.080  -3.004
   21    HG1  THR   3           HG1      THR   3   1.147   3.473  -1.486
   22   HG21  THR   3          HG21      THR   3  -0.795   5.178  -2.114
   23   HG22  THR   3          HG22      THR   3  -1.436   4.513  -0.612
   24   HG23  THR   3          HG23      THR   3  -2.366   4.378  -2.105
   25    H    TRP   4           H        TRP   4  -1.713   0.168  -3.714
   26    HA   TRP   4           HA       TRP   4  -0.167  -1.862  -2.325
   27    HB2  TRP   4           HB3      TRP   4  -2.082  -2.704  -3.395
   28    HB3  TRP   4           HB2      TRP   4  -1.814  -1.738  -4.836
   29    HD1  TRP   4           HD1      TRP   4   0.198  -2.611  -6.487
   30    HE1  TRP   4           HE1      TRP   4   0.938  -5.033  -6.992
   31    HE3  TRP   4           HE3      TRP   4  -1.796  -4.919  -2.404
   32    HZ2  TRP   4           HZ2      TRP   4   0.691  -7.589  -5.797
   33    HZ3  TRP   4           HZ3      TRP   4  -1.508  -7.349  -2.148
   34    HH2  TRP   4           HH2      TRP   4  -0.288  -8.656  -3.813
   35    H    GLU   5           H        GLU   5   1.941  -2.190  -2.644
   36    HA   GLU   5           HA       GLU   5   3.184  -1.304  -5.138
   37    HB2  GLU   5           HB3      GLU   5   3.594  -0.100  -2.495
   38    HB3  GLU   5           HB2      GLU   5   5.089  -0.548  -3.318
   39    HG2  GLU   5           HG3      GLU   5   2.941   1.088  -4.633
   40    HG3  GLU   5           HG2      GLU   5   4.246   1.803  -3.687
   41    H    ASN   6           H        ASN   6   4.941  -2.458  -5.787
   42    HA   ASN   6           HA       ASN   6   6.176  -4.366  -6.026
   43    HB2  ASN   6           HB3      ASN   6   7.232  -2.774  -4.104
   44    HB3  ASN   6           HB2      ASN   6   7.057  -4.286  -3.208
   45   HD21  ASN   6          HD21      ASN   6   7.600  -6.189  -4.997
   46   HD22  ASN   6          HD22      ASN   6   9.208  -6.030  -5.606
   47    H    GLY   7           H        GLY   7   3.481  -4.966  -5.277
   48    HA2  GLY   7           HA3      GLY   7   2.382  -6.956  -4.856
   49    HA3  GLY   7           HA2      GLY   7   3.911  -7.664  -4.385
   50    H    LYS   8           H        LYS   8   2.986  -4.724  -2.802
   51    HA   LYS   8           HA       LYS   8   1.814  -6.188  -0.561
   52    HB2  LYS   8           HB3      LYS   8   4.491  -4.952  -0.579
   53    HB3  LYS   8           HB2      LYS   8   3.496  -4.559   0.817
   54    HG2  LYS   8           HG3      LYS   8   4.040  -7.368  -0.111
   55    HG3  LYS   8           HG2      LYS   8   4.991  -6.529   1.116
   56    HD2  LYS   8           HD3      LYS   8   2.010  -6.908   1.311
   57    HD3  LYS   8           HD2      LYS   8   3.176  -8.047   1.989
   58    HE2  LYS   8           HE3      LYS   8   3.620  -5.229   2.698
   59    HE3  LYS   8           HE2      LYS   8   2.130  -5.930   3.327
   60    HZ1  LYS   8           HZ1      LYS   8   4.893  -6.529   4.004
   61    HZ2  LYS   8           HZ2      LYS   8   3.851  -7.859   3.917
   62    HZ3  LYS   8           HZ3      LYS   8   3.504  -6.581   4.970
   63    H    TRP   9           H        TRP   9   0.470  -5.007   0.739
   64    HA   TRP   9           HA       TRP   9  -0.468  -2.489  -0.335
   65    HB2  TRP   9           HB3      TRP   9  -1.412  -4.435   1.726
   66    HB3  TRP   9           HB2      TRP   9  -2.034  -2.804   1.785
   67    HD1  TRP   9           HD1      TRP   9  -2.593  -6.024   0.234
   68    HE1  TRP   9           HE1      TRP   9  -4.363  -5.886  -1.637
   69    HE3  TRP   9           HE3      TRP   9  -2.849  -0.955  -0.221
   70    HZ2  TRP   9           HZ2      TRP   9  -5.690  -3.869  -3.104
   71    HZ3  TRP   9           HZ3      TRP   9  -4.392   0.004  -1.877
   72    HH2  TRP   9           HH2      TRP   9  -5.785  -1.422  -3.285
   73    H    THR  10           H        THR  10   0.099  -0.525   0.385
   74    HA   THR  10           HA       THR  10   1.281  -0.303   3.074
   75    HB   THR  10           HB       THR  10   2.589   1.672   1.846
   76    HG1  THR  10           HG1      THR  10   2.318  -0.283  -0.186
   77   HG21  THR  10          HG21      THR  10   4.357  -0.159   1.197
   78   HG22  THR  10          HG22      THR  10   3.284  -1.197   2.137
   79   HG23  THR  10          HG23      THR  10   4.008   0.229   2.882
   80    H    TRP  11           H        TRP  11   0.875   1.610   4.204
   81    HA   TRP  11           HA       TRP  11  -1.496   3.044   3.296
   82    HB2  TRP  11           HB3      TRP  11  -1.481   2.157   5.586
   83    HB3  TRP  11           HB2      TRP  11  -0.048   3.118   5.955
   84    HD1  TRP  11           HD1      TRP  11  -0.403   5.642   6.571
   85    HE1  TRP  11           HE1      TRP  11  -2.488   7.084   7.009
   86    HE3  TRP  11           HE3      TRP  11  -3.988   2.457   4.786
   87    HZ2  TRP  11           HZ2      TRP  11  -5.280   6.898   6.648
   88    HZ3  TRP  11           HZ3      TRP  11  -6.340   3.167   4.871
   89    HH2  TRP  11           HH2      TRP  11  -6.972   5.342   5.783
   90    H    LYS  12           H        LYS  12  -0.934   4.596   1.863
   91    HA   LYS  12           HA       LYS  12   0.297   6.962   2.797
   92    HB2  LYS  12           HB3      LYS  12   2.215   5.197   2.234
   93    HB3  LYS  12           HB2      LYS  12   1.943   5.800   0.605
   94    HG2  LYS  12           HG3      LYS  12   2.341   8.095   1.424
   95    HG3  LYS  12           HG2      LYS  12   2.709   7.431   3.017
   96    HD2  LYS  12           HD3      LYS  12   4.755   6.736   2.388
   97    HD3  LYS  12           HD2      LYS  12   4.189   6.191   0.807
   98    HE2  LYS  12           HE3      LYS  12   3.967   8.875   0.532
   99    HE3  LYS  12           HE2      LYS  12   5.347   8.771   1.625
  100    HZ1  LYS  12           HZ1      LYS  12   5.994   8.770  -0.726
  101    HZ2  LYS  12           HZ2      LYS  12   5.129   7.337  -0.967
  102    HZ3  LYS  12           HZ3      LYS  12   6.471   7.351   0.062
  Start of MODEL   20
    1    H1   SER   1           HT1      SER   1  -4.554   6.834   2.448
    2    H2   SER   1           HT2      SER   1  -4.776   5.726   3.739
    3    H3   SER   1           HT3      SER   1  -6.080   6.713   3.219
    4    HA   SER   1           HA       SER   1  -6.561   4.712   2.294
    5    HB2  SER   1           HB3      SER   1  -6.433   5.145  -0.031
    6    HB3  SER   1           HB2      SER   1  -6.371   6.739   0.721
    7    HG   SER   1           HG       SER   1  -4.535   6.996  -0.241
    8    H    TRP   2           H        TRP   2  -5.708   3.061   0.545
    9    HA   TRP   2           HA       TRP   2  -3.172   1.996   1.607
   10    HB2  TRP   2           HB3      TRP   2  -5.630   0.658   0.489
   11    HB3  TRP   2           HB2      TRP   2  -4.096  -0.192   0.634
   12    HD1  TRP   2           HD1      TRP   2  -7.155   0.331   2.539
   13    HE1  TRP   2           HE1      TRP   2  -6.790  -0.192   5.037
   14    HE3  TRP   2           HE3      TRP   2  -2.068   0.275   2.593
   15    HZ2  TRP   2           HZ2      TRP   2  -4.602  -0.567   6.801
   16    HZ3  TRP   2           HZ3      TRP   2  -0.906  -0.153   4.702
   17    HH2  TRP   2           HH2      TRP   2  -2.142  -0.572   6.773
   18    H    THR   3           H        THR   3  -1.507   1.631   0.284
   19    HA   THR   3           HA       THR   3  -1.933   1.948  -2.614
   20    HB   THR   3           HB       THR   3   0.434   2.803  -2.676
   21    HG1  THR   3           HG1      THR   3   0.096   3.031   0.127
   22   HG21  THR   3          HG21      THR   3  -1.615   4.350  -1.126
   23   HG22  THR   3          HG22      THR   3  -1.197   4.487  -2.834
   24   HG23  THR   3          HG23      THR   3  -0.058   5.028  -1.601
   25    H    TRP   4           H        TRP   4  -1.301   0.277  -3.849
   26    HA   TRP   4           HA       TRP   4   0.072  -1.939  -2.529
   27    HB2  TRP   4           HB3      TRP   4  -1.934  -2.619  -3.556
   28    HB3  TRP   4           HB2      TRP   4  -1.640  -1.640  -4.984
   29    HD1  TRP   4           HD1      TRP   4  -0.020  -2.645  -6.841
   30    HE1  TRP   4           HE1      TRP   4   0.669  -5.078  -7.361
   31    HE3  TRP   4           HE3      TRP   4  -1.372  -4.814  -2.428
   32    HZ2  TRP   4           HZ2      TRP   4   0.634  -7.587  -6.052
   33    HZ3  TRP   4           HZ3      TRP   4  -1.010  -7.226  -2.127
   34    HH2  TRP   4           HH2      TRP   4  -0.030  -8.586  -3.906
   35    H    GLU   5           H        GLU   5   2.154  -2.416  -2.964
   36    HA   GLU   5           HA       GLU   5   3.333  -1.453  -5.463
   37    HB2  GLU   5           HB3      GLU   5   4.408  -0.860  -2.707
   38    HB3  GLU   5           HB2      GLU   5   5.336  -0.644  -4.191
   39    HG2  GLU   5           HG3      GLU   5   3.017   0.719  -4.724
   40    HG3  GLU   5           HG2      GLU   5   3.269   1.030  -3.007
   41    H    ASN   6           H        ASN   6   4.334  -3.035  -6.439
   42    HA   ASN   6           HA       ASN   6   5.299  -5.059  -6.847
   43    HB2  ASN   6           HB3      ASN   6   6.984  -3.811  -4.701
   44    HB3  ASN   6           HB2      ASN   6   7.419  -5.374  -5.399
   45   HD21  ASN   6          HD21      ASN   6   7.356  -5.370  -7.865
   46   HD22  ASN   6          HD22      ASN   6   8.097  -4.013  -8.636
   47    H    GLY   7           H        GLY   7   3.035  -5.379  -5.091
   48    HA2  GLY   7           HA3      GLY   7   2.231  -7.437  -4.249
   49    HA3  GLY   7           HA2      GLY   7   3.877  -7.916  -3.915
   50    H    LYS   8           H        LYS   8   2.892  -4.773  -2.795
   51    HA   LYS   8           HA       LYS   8   2.219  -5.855  -0.170
   52    HB2  LYS   8           HB3      LYS   8   4.763  -4.568  -0.838
   53    HB3  LYS   8           HB2      LYS   8   3.959  -3.860   0.556
   54    HG2  LYS   8           HG3      LYS   8   4.092  -6.804   0.497
   55    HG3  LYS   8           HG2      LYS   8   5.624  -5.953   0.704
   56    HD2  LYS   8           HD3      LYS   8   5.014  -6.064   2.889
   57    HD3  LYS   8           HD2      LYS   8   4.150  -4.586   2.461
   58    HE2  LYS   8           HE3      LYS   8   2.101  -5.624   2.453
   59    HE3  LYS   8           HE2      LYS   8   2.786  -7.207   2.084
   60    HZ1  LYS   8           HZ1      LYS   8   3.241  -7.622   4.259
   61    HZ2  LYS   8           HZ2      LYS   8   1.891  -6.624   4.466
   62    HZ3  LYS   8           HZ3      LYS   8   3.447  -5.991   4.663
   63    H    TRP   9           H        TRP   9   0.701  -4.746   0.836
   64    HA   TRP   9           HA       TRP   9  -0.271  -2.258  -0.323
   65    HB2  TRP   9           HB3      TRP   9  -1.324  -4.281   1.613
   66    HB3  TRP   9           HB2      TRP   9  -1.999  -2.669   1.651
   67    HD1  TRP   9           HD1      TRP   9  -2.500  -5.868   0.123
   68    HE1  TRP   9           HE1      TRP   9  -4.055  -5.736  -1.929
   69    HE3  TRP   9           HE3      TRP   9  -2.466  -0.817  -0.560
   70    HZ2  TRP   9           HZ2      TRP   9  -5.126  -3.733  -3.608
   71    HZ3  TRP   9           HZ3      TRP   9  -3.781   0.133  -2.408
   72    HH2  TRP   9           HH2      TRP   9  -5.085  -1.294  -3.898
   73    H    THR  10           H        THR  10   0.188  -0.296   0.503
   74    HA   THR  10           HA       THR  10   1.142  -0.142   3.285
   75    HB   THR  10           HB       THR  10   2.216   1.744   1.231
   76    HG1  THR  10           HG1      THR  10   3.089  -0.920   1.630
   77   HG21  THR  10          HG21      THR  10   3.006   2.317   3.321
   78   HG22  THR  10          HG22      THR  10   4.302   1.308   2.678
   79   HG23  THR  10          HG23      THR  10   3.155   0.638   3.839
   80    H    TRP  11           H        TRP  11   0.485   1.612   4.483
   81    HA   TRP  11           HA       TRP  11  -1.792   3.066   3.424
   82    HB2  TRP  11           HB3      TRP  11  -1.905   2.086   5.686
   83    HB3  TRP  11           HB2      TRP  11  -0.562   3.113   6.191
   84    HD1  TRP  11           HD1      TRP  11  -1.123   5.550   6.926
   85    HE1  TRP  11           HE1      TRP  11  -3.308   6.884   7.186
   86    HE3  TRP  11           HE3      TRP  11  -4.327   2.337   4.560
   87    HZ2  TRP  11           HZ2      TRP  11  -6.027   6.612   6.484
   88    HZ3  TRP  11           HZ3      TRP  11  -6.703   2.952   4.400
   89    HH2  TRP  11           HH2      TRP  11  -7.535   5.045   5.342
   90    H    LYS  12           H        LYS  12  -1.162   4.680   2.093
   91    HA   LYS  12           HA       LYS  12  -0.146   7.066   3.160
   92    HB2  LYS  12           HB3      LYS  12   1.905   5.334   2.834
   93    HB3  LYS  12           HB2      LYS  12   1.883   6.084   1.243
   94    HG2  LYS  12           HG3      LYS  12   1.708   8.000   3.438
   95    HG3  LYS  12           HG2      LYS  12   3.193   7.046   3.437
   96    HD2  LYS  12           HD3      LYS  12   2.235   8.277   0.890
   97    HD3  LYS  12           HD2      LYS  12   3.055   9.283   2.086
   98    HE2  LYS  12           HE3      LYS  12   4.766   7.245   2.036
   99    HE3  LYS  12           HE2      LYS  12   4.107   7.073   0.410
  100    HZ1  LYS  12           HZ1      LYS  12   4.579   9.635   0.353
  101    HZ2  LYS  12           HZ2      LYS  12   5.805   8.518   0.021
  102    HZ3  LYS  12           HZ3      LYS  12   5.713   9.242   1.546