*HEADER    VIRUS/VIRAL PROTEIN                     07-APR-02   1LCX              
*TITLE     NMR STRUCTURE OF HIV-1 GP41 659-671 13MER PEPTIDE                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GP41;                                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 659-671;                                          
*COMPND   5 SYNONYM: TRANSMEMBRANE GLYCOPROTEIN;                                 
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE           
*SOURCE   4 SEQUENCE OF THE PEPTIDE IS NATURALLY FOUND IN HIV-1 VIRUS.           
*KEYWDS    GP41, 3-10 HELIX, NMR STRUCTURE, HIV-1                                
*EXPDTA    NMR, 25 STRUCTURES                                                    
*AUTHOR    Z.BIRON, S.KHARE, A.O.SAMSON, Y.HAYEK, F.NAIDER, J.ANGLISTER          
*REVDAT   1   04-DEC-02 1LCX    0                                                
!distance constraints

!from H2O sample:
assign (resid 10 and name HB*)(resid 11 and name HA) 4.19 2.39 1.257
assign (resid 10 and name HB*)(resid 7 and name HA) 3.92 2.12 1.176
assign (resid 10 and name HN)(resid 10 and name HA) 3.26 1.46 0.978
assign (resid 10 and name HN)(resid 10 and name HB*) 3.30 1.5 0.99
assign (resid 10 and name HN)(resid 8 and name HA) 4.01 2.21 1.203
assign (resid 10 and name HN)(resid 9 and name HA) 2.85 1.05 0.855
assign (resid 10 and name HN)(resid 9 and name HB*) 3.35 1.55 1.005
assign (resid 10 and name HN)(resid 9 and name HN) 3.85 2.05 1.155
assign (resid 11 and name HB*)(resid 11 and name HA) 2.28 0.48 0.684
assign (resid 11 and name HB*)(resid 11 and name HA) 3.18 1.38 0.954
assign (resid 11 and name HG*)(resid 11 and name HA) 2.67 0.87 0.801
assign (resid 11 and name HG*)(resid 11 and name HD*) 2.94 1.14 0.882
assign (resid 11 and name HG*)(resid 11 and name HD*) 3.00 1.2 0.9
assign (resid 11 and name HN)(resid 10 and name HA) 2.55 0.75 0.765
assign (resid 11 and name HN)(resid 10 and name HB*) 3.44 1.64 1.032
assign (resid 11 and name HN)(resid 10 and name HN) 4.14 2.34 1.242
assign (resid 11 and name HN)(resid 11 and name HA) 2.90 1.1 0.87
assign (resid 11 and name HN)(resid 11 and name HB*) 2.71 0.91 0.813
assign (resid 11 and name HN)(resid 11 and name HB*) 2.91 1.11 0.873
assign (resid 11 and name HN)(resid 11 and name HD*) 3.84 2.04 1.152
assign (resid 11 and name HN)(resid 11 and name HD*) 4.00 2.2 1.2
assign (resid 11 and name HN)(resid 11 and name HG*) 3.09 1.29 0.927
assign (resid 11 and name HN)(resid 12 and name HN) 3.02 1.22 0.906
assign (resid 11 and name HN)(resid 8 and name HA) 4.14 2.34 1.242
assign (resid 11 and name HN)(resid 9 and name HA) 4.02 2.22 1.206
assign (resid 12 and name HB*)(resid 12 and name HA) 2.71 0.91 0.813
assign (resid 12 and name HB*)(resid 12 and name HA) 3.03 1.23 0.909
assign (resid 12 and name HN)(resid 10 and name HA) 3.59 1.79 1.077
assign (resid 12 and name HN)(resid 10 and name HB*) 4.00 2.2 1.2
assign (resid 12 and name HN)(resid 11 and name HA) 2.49 0.69 0.747
assign (resid 12 and name HN)(resid 11 and name HB*) 4.00 2.2 1.2
assign (resid 12 and name HN)(resid 11 and name HD*) 3.93 2.13 1.179
assign (resid 12 and name HN)(resid 11 and name HD*) 4.07 2.27 1.221
assign (resid 12 and name HN)(resid 11 and name HG*) 3.22 1.42 0.966
assign (resid 12 and name HN)(resid 12 and name HA) 2.71 0.91 0.813
assign (resid 12 and name HN)(resid 12 and name HB*) 2.72 0.92 0.816
assign (resid 12 and name HN)(resid 12 and name HB*) 2.98 1.18 0.894
assign (resid 12 and name HN)(resid 9 and name HA) 3.71 1.91 1.113
assign (resid 13 and name HN)(resid 10 and name HA) 4.24 2.44 1.272
assign (resid 13 and name HN)(resid 11 and name HA) 4.06 2.26 1.218
assign (resid 13 and name HN)(resid 12 and name HA) 2.56 0.76 0.768
assign (resid 13 and name HN)(resid 12 and name HB*) 3.41 1.61 1.023
assign (resid 13 and name HN)(resid 12 and name HB*) 3.41 1.61 1.023
assign (resid 13 and name HN)(resid 12 and name HN) 2.86 1.06 0.858
assign (resid 13 and name HN)(resid 13 and name HA) 2.86 1.06 0.858
assign (resid 13 and name HN)(resid 13 and name HB*) 3.18 1.38 0.954
assign (resid 13 and name HN)(resid 13 and name HB*) 3.50 1.7 1.05
assign (resid 3 and name HB*)(resid 3 and name HA) 2.90 1.1 0.87
assign (resid 3 and name HB*)(resid 3 and name HA) 3.10 1.3 0.93
assign (resid 3 and name HN)(resid 3 and name HA) 3.05 1.25 0.915
assign (resid 3 and name HN)(resid 3 and name HB*) 3.09 1.29 0.927
assign (resid 3 and name HN)(resid 3 and name HD*) 4.10 2.3 1.23
assign (resid 4 and name HB*)(resid 3 and name HB*) 3.74 1.94 1.122
assign (resid 4 and name HB*)(resid 3 and name HB*) 4.09 2.29 1.227
assign (resid 4 and name HN)(resid 3 and name HA) 2.52 0.72 0.756
assign (resid 4 and name HN)(resid 3 and name HB*) 3.35 1.55 1.005
assign (resid 4 and name HN)(resid 3 and name HB*) 3.54 1.74 1.062
assign (resid 4 and name HN)(resid 3 and name HD*) 4.06 2.26 1.218
assign (resid 4 and name HN)(resid 3 and name HD*) 4.17 2.37 1.251
assign (resid 4 and name HN)(resid 4 and name HA) 3.12 1.32 0.936
assign (resid 4 and name HN)(resid 4 and name HB*) 3.07 1.27 0.921
assign (resid 4 and name HN)(resid 4 and name HB*) 3.18 1.38 0.954
assign (resid 4 and name HN)(resid 4 and name HG*) 3.64 1.84 1.092
assign (resid 4 and name HN)(resid 5 and name HN) 3.61 1.81 1.083
assign (resid 5 and name HA)(resid 6 and name HA) 3.88 2.08 1.164
assign (resid 5 and name HB*)(resid 6 and name HA) 4.00 2.2 1.2
assign (resid 5 and name HG*)(resid 5 and name HA) 2.59 0.79 0.777
assign (resid 5 and name HG*)(resid 5 and name HD*) 2.70 0.9 0.81
assign (resid 5 and name HG*)(resid 5 and name HD*) 2.72 0.92 0.816
assign (resid 5 and name HG*)(resid 6 and name HA) 3.54 1.74 1.062
assign (resid 5 and name HN)(resid 3 and name HA) 4.05 2.25 1.215
assign (resid 5 and name HN)(resid 4 and name HB*) 3.28 1.48 0.984
assign (resid 5 and name HN)(resid 4 and name HB*) 3.44 1.64 1.032
assign (resid 5 and name HN)(resid 4 and name HG*) 4.25 2.45 1.275
assign (resid 5 and name HN)(resid 5 and name HA) 2.25 0.45 0.675
assign (resid 5 and name HN)(resid 5 and name HB*) 2.37 0.57 0.711
assign (resid 5 and name HN)(resid 5 and name HD*) 3.50 1.7 1.05
assign (resid 5 and name HN)(resid 5 and name HD*) 3.56 1.76 1.068
assign (resid 5 and name HN)(resid 5 and name HG*) 2.81 1.01 0.843
assign (resid 5 and name HN)(resid 6 and name HN) 3.90 2.10 1.17
assign (resid 6 and name HN)(resid 3 and name HD*) 3.74 1.94 1.122
assign (resid 6 and name HN)(resid 5 and name HA) 2.42 0.62 0.726
assign (resid 6 and name HN)(resid 5 and name HB*) 3.07 1.27 0.921
assign (resid 6 and name HN)(resid 5 and name HD*) 3.92 2.12 1.176
assign (resid 6 and name HN)(resid 5 and name HG*) 3.10 1.3 0.93
assign (resid 6 and name HN)(resid 6 and name HA) 2.79 0.99 0.837
assign (resid 6 and name HN)(resid 6 and name HB*) 2.59 0.79 0.777
assign (resid 7 and name HA)(resid 6 and name HA) 3.71 1.91 1.113
assign (resid 7 and name HA)(resid 8 and name HA) 3.74 1.94 1.122
assign (resid 7 and name HB*)(resid 8 and name HA) 3.84 2.04 1.152
assign (resid 7 and name HG*)(resid 7 and name HA) 2.81 1.01 0.843
assign (resid 7 and name HG*)(resid 7 and name HB*) 2.44 0.64 0.732
assign (resid 7 and name HN)(resid 4 and name HA) 3.93 2.13 1.179
assign (resid 7 and name HN)(resid 6 and name HA) 2.54 0.74 0.762
assign (resid 7 and name HN)(resid 6 and name HB*) 3.14 1.34 0.942
assign (resid 7 and name HN)(resid 6 and name HN) 3.66 1.86 1.098
assign (resid 7 and name HN)(resid 7 and name HA) 2.91 1.11 0.873
assign (resid 7 and name HN)(resid 7 and name HB*) 2.61 0.81 0.783
assign (resid 7 and name HN)(resid 7 and name HG*) 2.97 1.17 0.891
assign (resid 7 and name HN)(resid 8 and name HN) 3.25 1.45 0.975
assign (resid 8 and name HB*)(resid 8 and name HA) 2.53 0.73 0.759
assign (resid 8 and name HB*)(resid 8 and name HA) 2.60 0.8 0.78
assign (resid 8 and name HN)(resid 5 and name HA) 4.18 2.38 1.254
assign (resid 8 and name HN)(resid 6 and name HA) 3.48 1.68 1.044
assign (resid 8 and name HN)(resid 6 and name HB*) 3.62 1.82 1.086
assign (resid 8 and name HN)(resid 7 and name HA) 2.52 0.72 0.756
assign (resid 8 and name HN)(resid 7 and name HB*) 2.80 1 0.84
assign (resid 8 and name HN)(resid 7 and name HG*) 3.31 1.51 0.993
assign (resid 8 and name HN)(resid 8 and name HA) 2.60 0.8 0.78
assign (resid 8 and name HN)(resid 8 and name HB*) 2.57 0.77 0.771
assign (resid 8 and name HN)(resid 8 and name HB*) 2.66 0.86 0.798
assign (resid 8 and name HN)(resid 9 and name HB*) 3.75 1.95 1.125
assign (resid 8 and name HN)(resid 9 and name HN) 2.99 1.19 0.897
assign (resid 9 and name HN)(resid 6 and name HA) 4.03 2.23 1.209
assign (resid 9 and name HN)(resid 6 and name HB*) 3.80 2 1.14
assign (resid 9 and name HN)(resid 7 and name HA) 3.76 1.96 1.128
assign (resid 9 and name HN)(resid 7 and name HB*) 4.14 2.34 1.242
assign (resid 9 and name HN)(resid 8 and name HA) 2.53 0.73 0.759
assign (resid 9 and name HN)(resid 8 and name HB*) 3.16 1.36 0.948
assign (resid 9 and name HN)(resid 8 and name HB*) 3.24 1.44 0.972
assign (resid 9 and name HN)(resid 9 and name HA) 2.74 0.94 0.822
assign (resid 9 and name HN)(resid 9 and name HB*) 2.53 0.73 0.759
assign(resid 10 and name HB*)(resid 10 and name HA) 2.49 0.69 0.747

!from D2O sample
assign (resid 1 and name HA)(resid 1 and name HB*) 3.37 1.57 1.011
assign (resid 1 and name HA)(resid 1 and name HB*) 3.40 1.6 1.02
assign (resid 1 and name HA)(resid 1 and name HG*) 4.00 2.2 1.2
assign (resid 1 and name HA)(resid 3 and name HB*) 4.21 2.41 1.263
assign (resid 1 and name HG*)(resid 1 and name HB*) 3.01 1.21 0.903
assign (resid 1 and name HG*)(resid 1 and name HB*) 3.13 1.33 0.939
assign (resid 10 and name HA)(resid 10 and name HB*) 2.83 1.03 0.849
assign (resid 10 and name HA)(resid 10 and name HB*) 2.94 1.14 0.882
assign (resid 10 and name HA)(resid 11 and name HD*) 4.17 2.37 1.251
assign (resid 10 and name HA)(resid 13 and name HB*) 4.66 2.86 1.398
assign (resid 10 and name HA)(resid 9 and name HB*) 4.26 2.46 1.278
assign (resid 11 and name HA)(resid 11 and name HD*) 2.78 0.98 0.834
assign (resid 11 and name HA)(resid 11 and name HD*) 3.54 1.74 1.062
assign (resid 11 and name HB*)(resid 11 and name HD*) 3.01 1.21 0.903
assign (resid 11 and name HB*)(resid 11 and name HD*) 3.05 1.25 0.915
assign (resid 12 and name HA)(resid 12 and name HB*) 3.02 1.22 0.906
assign (resid 12 and name HA)(resid 12 and name HB*) 3.23 1.43 0.969
assign (resid 12 and name HB*)(resid 11 and name HB*) 4.73 2.93 1.419
assign (resid 12 and name HB*)(resid 11 and name HD*) 4.82 3.02 1.446
assign (resid 12 and name HB*)(resid 12 and name HB*) 2.38 0.58 0.714
assign (resid 13 and name HA)(resid 13 and name HB*) 3.20 1.4 0.96
assign (resid 13 and name HA)(resid 13 and name HB*) 3.69 1.89 1.107
assign (resid 3 and name HA)(resid 1 and name HG*) 4.71 2.91 1.413
assign (resid 3 and name HA)(resid 3 and name HB*) 2.69 0.89 0.807
assign (resid 3 and name HA)(resid 3 and name HB*) 2.93 1.13 0.879
assign (resid 3 and name HA)(resid 3 and name HD*) 2.72 0.92 0.816
assign (resid 3 and name HA)(resid 3 and name HD*) 3.01 1.21 0.903
assign (resid 3 and name HB*)(resid 3 and name HD*) 2.86 1.06 0.858
assign (resid 3 and name HB*)(resid 3 and name HD*) 2.93 1.13 0.879
assign (resid 4 and name HA)(resid 4 and name HB*) 2.92 1.12 0.876
assign (resid 4 and name HA)(resid 4 and name HB*) 3.03 1.23 0.909
assign (resid 4 and name HA)(resid 4 and name HG*) 3.26 1.46 0.978
assign (resid 4 and name HG*)(resid 4 and name HB*) 3.14 1.34 0.942
assign (resid 4 and name HG*)(resid 4 and name HB*) 3.28 1.48 0.984
assign (resid 5 and name HA)(resid 5 and name HB*) 2.82 1.02 0.846
assign (resid 5 and name HA)(resid 5 and name HB*) 2.82 1.02 0.846
assign (resid 5 and name HA)(resid 5 and name HD*) 2.71 0.91 0.813
assign (resid 5 and name HA)(resid 5 and name HD*) 3.29 1.49 0.987
assign (resid 5 and name HA)(resid 6 and name HB*) 4.67 2.87 1.401
assign (resid 5 and name HA)(resid 8 and name HB*) 4.57 2.77 1.371
assign (resid 5 and name HB*)(resid 5 and name HD*) 2.57 0.77 0.771
assign (resid 5 and name HB*)(resid 5 and name HD*) 2.59 0.79 0.777
assign (resid 6 and name HA)(resid 3 and name HB*) 4.34 2.54 1.302
assign (resid 6 and name HA)(resid 3 and name HB*) 4.68 2.88 1.404
assign (resid 6 and name HA)(resid 6 and name HB*) 2.51 0.71 0.753
assign (resid 6 and name HA)(resid 7 and name HG*) 5.01 3.21 1.503
assign (resid 6 and name HB*)(resid 3 and name HB*) 4.21 2.41 1.263
assign (resid 6 and name HB*)(resid 3 and name HB*) 4.52 2.72 1.356
assign (resid 6 and name HB*)(resid 3 and name HD*) 4.43 2.63 1.329
assign (resid 6 and name HB*)(resid 3 and name HD*) 4.59 2.79 1.377
assign (resid 6 and name HB*)(resid 7 and name HG*) 4.80 3 1.44
assign (resid 6 and name HB*)(resid 9 and name HB*) 3.30 1.5 0.99
assign (resid 7 and name HA)(resid 6 and name HB*) 4.59 2.79 1.377
assign (resid 7 and name HA)(resid 7 and name HB*) 2.57 0.77 0.771
assign (resid 7 and name HA)(resid 7 and name HB*) 3.31 1.51 0.993
assign (resid 7 and name HA)(resid 7 and name HE*) 4.40 2.6 1.32
assign (resid 7 and name HA)(resid 7 and name HG*) 3.04 1.24 0.912
assign (resid 7 and name HA)(resid 9 and name HB*) 4.94 3.14 1.482
assign (resid 7 and name HB*)(resid 7 and name HG*) 2.63 0.83 0.789
assign (resid 7 and name HB*)(resid 7 and name HG*) 2.87 1.07 0.861
assign (resid 7 and name HE*)(resid 7 and name HB*) 2.90 1.1 0.87
assign (resid 8 and name HA)(resid 11 and name HB*) 4.24 2.44 1.272
assign (resid 8 and name HA)(resid 11 and name HD*) 3.75 1.95 1.125
assign (resid 8 and name HA)(resid 11 and name HD*) 4.62 2.82 1.386
assign (resid 8 and name HA)(resid 7 and name HB*) 4.52 2.72 1.356
assign (resid 8 and name HA)(resid 7 and name HG*) 4.81 3.01 1.443
assign (resid 8 and name HA)(resid 8 and name HB*) 2.89 1.09 0.867
assign (resid 8 and name HA)(resid 8 and name HB*) 2.99 1.19 0.897
assign (resid 8 and name HB*)(resid 11 and name HB*) 4.38 2.58 1.314
assign (resid 8 and name HB*)(resid 11 and name HB*) 4.54 2.74 1.362
assign (resid 8 and name HB*)(resid 11 and name HD*) 4.30 2.5 1.29
assign (resid 8 and name HB*)(resid 11 and name HD*) 4.73 2.93 1.419
assign (resid 8 and name HB*)(resid 11 and name HD*) 4.80 3 1.44
assign (resid 8 and name HB*)(resid 5 and name HB*) 4.47 2.67 1.341
assign (resid 8 and name HB*)(resid 5 and name HB*) 4.65 2.85 1.395
assign (resid 8 and name HB*)(resid 5 and name HB*) 4.71 2.91 1.413
assign (resid 8 and name HB*)(resid 5 and name HD*) 4.47 2.67 1.341
assign (resid 8 and name HB*)(resid 5 and name HD*) 6.52 4.72 1.956
assign (resid 8 and name HB*)(resid 8 and name HB*) 2.33 0.53 0.699
assign (resid 9 and name HA)(resid 6 and name HB*) 4.79 2.99 1.437
assign (resid 9 and name HA)(resid 9 and name HB*) 2.52 0.72 0.756

! Angles constraints 

assign (resid 2 and name C)(resid 3 and name N)
       (resid 3 and name CA)(resid 3 and name C) 1 -62 25 2
assign (resid 3 and name C)(resid 4 and name N)
       (resid 4 and name CA)(resid 4 and name C) 1 -62 25 2
assign (resid 4 and name C)(resid 5 and name N)
       (resid 5 and name CA)(resid 5 and name C) 1 -62 25 2
assign (resid 5 and name C)(resid 6 and name N)
       (resid 6 and name CA)(resid 6 and name C) 1 -62 25 2
assign (resid 6 and name C)(resid 7 and name N)
       (resid 7 and name CA)(resid 7 and name C) 1 -62 25 2
assign (resid 7 and name C)(resid 8 and name N)
       (resid 8 and name CA)(resid 8 and name C) 1 -62 25 2
assign (resid 8 and name C)(resid 9 and name N)
       (resid 9 and name CA)(resid 9 and name C) 1 -62 25 2
assign (resid 9 and name C)(resid 10 and name N)
       (resid 10 and name CA)(resid 10 and name C) 1 -62 25 2
assign (resid 10 and name C)(resid 11 and name N)
       (resid 11 and name CA)(resid 11 and name C) 1 -62 25 2


! Hydrogen Bond  constraints
assign (resid 9 and name HN)(resid 6 and name O)  2.15 0.65 0.65
assign (resid 9 and name  N)(resid 6 and name O)  2.95  0.55  0.55


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLU   1          HT1       GLU   1   3.726  10.187   3.779
    2   2H    GLU   1          HT2       GLU   1   4.806   9.750   2.518
    3   3H    GLU   1          HT3       GLU   1   5.386   9.931   4.123
    4    HA   GLU   1           HA       GLU   1   3.887   8.117   4.780
    5   1HB   GLU   1          HB2       GLU   1   3.088   8.514   2.056
    6   2HB   GLU   1          HB1       GLU   1   3.694   6.873   2.234
    7   1HG   GLU   1          HG2       GLU   1   1.669   6.344   2.962
    8   2HG   GLU   1          HG1       GLU   1   2.087   7.198   4.446
    9    H    LEU   2           HN       LEU   2   5.468   6.955   5.656
   10    HA   LEU   2           HA       LEU   2   7.729   6.134   3.963
   11   1HB   LEU   2          HB2       LEU   2   7.490   6.467   6.950
   12   2HB   LEU   2          HB1       LEU   2   8.869   5.706   6.179
   13    HG   LEU   2           HG       LEU   2   8.973   7.960   4.826
   14   1HD1  LEU   2          HD11      LEU   2   7.037   9.055   5.567
   15   2HD1  LEU   2          HD12      LEU   2   8.360   9.838   6.431
   16   3HD1  LEU   2          HD13      LEU   2   7.349   8.650   7.254
   17   1HD2  LEU   2          HD21      LEU   2  10.764   8.487   6.111
   18   2HD2  LEU   2          HD22      LEU   2  10.453   6.882   6.771
   19   3HD2  LEU   2          HD23      LEU   2   9.872   8.313   7.622
   20    H    LEU   3           HN       LEU   3   5.094   4.807   4.112
   21    HA   LEU   3           HA       LEU   3   5.615   2.330   5.532
   22   1HB   LEU   3          HB2       LEU   3   3.306   3.084   3.738
   23   2HB   LEU   3          HB1       LEU   3   3.393   1.664   4.763
   24    HG   LEU   3           HG       LEU   3   3.628   4.372   6.006
   25   1HD1  LEU   3          HD11      LEU   3   1.060   4.079   6.340
   26   2HD1  LEU   3          HD12      LEU   3   1.169   3.141   4.851
   27   3HD1  LEU   3          HD13      LEU   3   1.681   4.828   4.869
   28   1HD2  LEU   3          HD21      LEU   3   3.188   3.291   7.942
   29   2HD2  LEU   3          HD22      LEU   3   3.816   1.909   7.045
   30   3HD2  LEU   3          HD23      LEU   3   2.075   2.153   7.183
   31    H    GLU   4           HN       GLU   4   6.437   0.537   4.661
   32    HA   GLU   4           HA       GLU   4   7.254   0.573   1.887
   33   1HB   GLU   4          HB2       GLU   4   7.815  -1.155   4.255
   34   2HB   GLU   4          HB1       GLU   4   8.087  -1.821   2.650
   35   1HG   GLU   4          HG2       GLU   4   9.270   0.703   2.605
   36   2HG   GLU   4          HG1       GLU   4   9.692   0.015   4.173
   37    H    LEU   5           HN       LEU   5   4.761  -0.867   3.822
   38    HA   LEU   5           HA       LEU   5   4.051  -2.807   1.796
   39   1HB   LEU   5          HB2       LEU   5   2.184  -3.358   3.351
   40   2HB   LEU   5          HB1       LEU   5   3.790  -3.551   4.030
   41    HG   LEU   5           HG       LEU   5   2.959  -0.916   4.594
   42   1HD1  LEU   5          HD11      LEU   5   0.810  -2.955   4.882
   43   2HD1  LEU   5          HD12      LEU   5   0.697  -1.249   4.449
   44   3HD1  LEU   5          HD13      LEU   5   0.983  -1.716   6.126
   45   1HD2  LEU   5          HD21      LEU   5   4.487  -2.048   5.999
   46   2HD2  LEU   5          HD22      LEU   5   3.369  -3.388   6.256
   47   3HD2  LEU   5          HD23      LEU   5   3.026  -1.807   6.958
   48    H    ASP   6           HN       ASP   6   3.831   0.249   1.476
   49    HA   ASP   6           HA       ASP   6   1.047   0.791   1.233
   50   1HB   ASP   6          HB2       ASP   6   1.753   2.858   0.121
   51   2HB   ASP   6          HB1       ASP   6   2.686   2.582   1.589
   52    H    LYS   7           HN       LYS   7   3.118  -1.071  -0.623
   53    HA   LYS   7           HA       LYS   7   2.216  -0.480  -3.229
   54   1HB   LYS   7          HB2       LYS   7   4.279  -1.839  -2.454
   55   2HB   LYS   7          HB1       LYS   7   3.164  -3.198  -2.383
   56   1HG   LYS   7          HG2       LYS   7   2.779  -3.154  -4.682
   57   2HG   LYS   7          HG1       LYS   7   3.439  -1.527  -4.849
   58   1HD   LYS   7          HD2       LYS   7   5.652  -2.551  -4.056
   59   2HD   LYS   7          HD1       LYS   7   4.903  -4.111  -4.402
   60   1HE   LYS   7          HE2       LYS   7   5.166  -3.860  -6.607
   61   2HE   LYS   7          HE1       LYS   7   4.574  -2.200  -6.571
   62   1HZ   LYS   7          HZ1       LYS   7   6.649  -1.370  -6.433
   63   2HZ   LYS   7          HZ2       LYS   7   7.081  -2.842  -7.146
   64   3HZ   LYS   7          HZ3       LYS   7   7.230  -2.637  -5.474
   65    H    TRP   8           HN       TRP   8   0.685  -1.986  -0.633
   66    HA   TRP   8           HA       TRP   8  -0.987  -3.764  -2.141
   67   1HB   TRP   8          HB2       TRP   8  -0.672  -2.996   0.694
   68   2HB   TRP   8          HB1       TRP   8  -2.294  -3.489   0.220
   69    HD1  TRP   8           HD1      TRP   8   1.001  -5.052  -1.066
   70    HE1  TRP   8           HE1      TRP   8   0.999  -7.547  -0.436
   71    HE3  TRP   8           HE3      TRP   8  -3.308  -5.192   1.682
   72    HZ2  TRP   8           HZ2      TRP   8  -0.616  -9.338   1.033
   73    HZ3  TRP   8           HZ3      TRP   8  -4.011  -7.335   2.665
   74    HH2  TRP   8           HH2      TRP   8  -2.692  -9.364   2.346
   75    H    ALA   9           HN       ALA   9  -0.926  -0.462  -1.886
   76    HA   ALA   9           HA       ALA   9  -3.659   0.186  -1.586
   77   1HB   ALA   9          HB1       ALA   9  -1.221   1.593  -2.484
   78   2HB   ALA   9          HB2       ALA   9  -2.436   2.068  -1.298
   79   3HB   ALA   9          HB3       ALA   9  -2.762   2.262  -3.021
   80    H    SER  10           HN       SER  10  -1.768  -0.918  -4.289
   81    HA   SER  10           HA       SER  10  -3.489  -0.088  -6.365
   82   1HB   SER  10          HB2       SER  10  -1.028  -1.156  -6.340
   83   2HB   SER  10          HB1       SER  10  -1.957  -2.608  -6.713
   84    HG   SER  10           HG       SER  10  -1.224  -1.259  -8.543
   85    H    LEU  11           HN       LEU  11  -3.833  -2.487  -3.996
   86    HA   LEU  11           HA       LEU  11  -5.627  -4.148  -5.556
   87   1HB   LEU  11          HB2       LEU  11  -5.281  -4.388  -2.594
   88   2HB   LEU  11          HB1       LEU  11  -5.627  -5.641  -3.770
   89    HG   LEU  11           HG       LEU  11  -2.979  -4.224  -3.746
   90   1HD1  LEU  11          HD11      LEU  11  -2.139  -6.163  -2.421
   91   2HD1  LEU  11          HD12      LEU  11  -3.816  -6.609  -2.109
   92   3HD1  LEU  11          HD13      LEU  11  -3.190  -5.068  -1.522
   93   1HD2  LEU  11          HD21      LEU  11  -2.292  -5.829  -5.193
   94   2HD2  LEU  11          HD22      LEU  11  -4.011  -5.855  -5.587
   95   3HD2  LEU  11          HD23      LEU  11  -3.339  -7.065  -4.494
   96    H    TRP  12           HN       TRP  12  -5.932  -1.238  -4.079
   97    HA   TRP  12           HA       TRP  12  -8.787  -1.693  -3.521
   98   1HB   TRP  12          HB2       TRP  12  -7.000  -1.039  -1.600
   99   2HB   TRP  12          HB1       TRP  12  -7.462   0.569  -2.147
  100    HD1  TRP  12           HD1      TRP  12  -9.249   1.503  -0.585
  101    HE1  TRP  12           HE1      TRP  12 -11.331   0.576   0.611
  102    HE3  TRP  12           HE3      TRP  12  -8.913  -3.386  -2.041
  103    HZ2  TRP  12           HZ2      TRP  12 -12.656  -1.900   0.899
  104    HZ3  TRP  12           HZ3      TRP  12 -10.627  -4.970  -1.260
  105    HH2  TRP  12           HH2      TRP  12 -12.459  -4.240   0.180
  106    H    ASN  13           HN       ASN  13  -7.382  -0.817  -5.980
  107    HA   ASN  13           HA       ASN  13  -9.159   1.159  -6.828
  108   1HB   ASN  13          HB2       ASN  13  -7.140   2.273  -5.269
  109   2HB   ASN  13          HB1       ASN  13  -6.616   2.575  -6.923
  110   1HD2  ASN  13          HD21      ASN  13  -9.131   2.823  -8.123
  111   2HD2  ASN  13          HD22      ASN  13  -9.866   4.278  -7.551
  Start of MODEL    2
    1   1H    GLU   1          HT1       GLU   1   3.513   9.111   2.043
    2   2H    GLU   1          HT2       GLU   1   2.551   9.521   3.404
    3   3H    GLU   1          HT3       GLU   1   2.040   8.282   2.331
    4    HA   GLU   1           HA       GLU   1   4.232   8.270   4.274
    5   1HB   GLU   1          HB2       GLU   1   1.638   6.890   3.812
    6   2HB   GLU   1          HB1       GLU   1   2.938   5.930   4.506
    7   1HG   GLU   1          HG2       GLU   1   2.766   6.921   6.494
    8   2HG   GLU   1          HG1       GLU   1   2.606   8.527   5.786
    9    H    LEU   2           HN       LEU   2   2.777   6.124   1.819
   10    HA   LEU   2           HA       LEU   2   3.687   4.630   0.370
   11   1HB   LEU   2          HB2       LEU   2   5.079   6.949   0.021
   12   2HB   LEU   2          HB1       LEU   2   6.376   5.824   0.376
   13    HG   LEU   2           HG       LEU   2   5.560   4.366  -1.468
   14   1HD1  LEU   2          HD11      LEU   2   3.385   4.743  -1.954
   15   2HD1  LEU   2          HD12      LEU   2   4.083   5.877  -3.110
   16   3HD1  LEU   2          HD13      LEU   2   3.479   6.459  -1.559
   17   1HD2  LEU   2          HD21      LEU   2   7.345   5.590  -2.191
   18   2HD2  LEU   2          HD22      LEU   2   6.561   7.135  -1.866
   19   3HD2  LEU   2          HD23      LEU   2   6.107   6.198  -3.290
   20    H    LEU   3           HN       LEU   3   3.669   3.769   2.937
   21    HA   LEU   3           HA       LEU   3   6.110   2.969   4.041
   22   1HB   LEU   3          HB2       LEU   3   3.463   2.732   4.731
   23   2HB   LEU   3          HB1       LEU   3   3.909   1.068   4.405
   24    HG   LEU   3           HG       LEU   3   5.879   1.457   5.994
   25   1HD1  LEU   3          HD11      LEU   3   5.435   3.998   5.903
   26   2HD1  LEU   3          HD12      LEU   3   5.870   3.263   7.446
   27   3HD1  LEU   3          HD13      LEU   3   4.186   3.660   7.102
   28   1HD2  LEU   3          HD21      LEU   3   3.406   1.715   7.578
   29   2HD2  LEU   3          HD22      LEU   3   4.668   0.484   7.630
   30   3HD2  LEU   3          HD23      LEU   3   3.427   0.422   6.379
   31    H    GLU   4           HN       GLU   4   6.218   0.318   4.392
   32    HA   GLU   4           HA       GLU   4   7.227  -0.604   1.870
   33   1HB   GLU   4          HB2       GLU   4   8.378  -1.129   3.973
   34   2HB   GLU   4          HB1       GLU   4   6.975  -2.036   4.522
   35   1HG   GLU   4          HG2       GLU   4   8.082  -3.801   3.723
   36   2HG   GLU   4          HG1       GLU   4   7.482  -3.254   2.158
   37    H    LEU   5           HN       LEU   5   4.748  -1.856   4.111
   38    HA   LEU   5           HA       LEU   5   3.707  -3.589   2.043
   39   1HB   LEU   5          HB2       LEU   5   2.320  -4.542   3.723
   40   2HB   LEU   5          HB1       LEU   5   3.927  -4.337   4.398
   41    HG   LEU   5           HG       LEU   5   2.300  -2.018   4.902
   42   1HD1  LEU   5          HD11      LEU   5   0.656  -2.963   6.367
   43   2HD1  LEU   5          HD12      LEU   5   1.274  -4.590   6.085
   44   3HD1  LEU   5          HD13      LEU   5   0.482  -3.710   4.779
   45   1HD2  LEU   5          HD21      LEU   5   3.978  -3.942   6.430
   46   2HD2  LEU   5          HD22      LEU   5   2.881  -2.882   7.316
   47   3HD2  LEU   5          HD23      LEU   5   4.125  -2.192   6.274
   48    H    ASP   6           HN       ASP   6   3.389  -0.442   2.409
   49    HA   ASP   6           HA       ASP   6   0.503  -0.241   2.241
   50   1HB   ASP   6          HB2       ASP   6   2.756   1.714   2.405
   51   2HB   ASP   6          HB1       ASP   6   1.208   2.257   1.765
   52    H    LYS   7           HN       LYS   7   3.054  -0.771   0.111
   53    HA   LYS   7           HA       LYS   7   2.166   0.639  -2.160
   54   1HB   LYS   7          HB2       LYS   7   4.439  -0.549  -1.663
   55   2HB   LYS   7          HB1       LYS   7   3.648  -1.952  -2.370
   56   1HG   LYS   7          HG2       LYS   7   3.498  -0.979  -4.460
   57   2HG   LYS   7          HG1       LYS   7   3.667   0.656  -3.819
   58   1HD   LYS   7          HD2       LYS   7   5.973   0.414  -3.492
   59   2HD   LYS   7          HD1       LYS   7   5.892  -1.346  -3.602
   60   1HE   LYS   7          HE2       LYS   7   6.852  -0.570  -5.630
   61   2HE   LYS   7          HE1       LYS   7   5.200  -1.061  -6.000
   62   1HZ   LYS   7          HZ1       LYS   7   4.588   1.038  -6.470
   63   2HZ   LYS   7          HZ2       LYS   7   6.240   1.263  -6.752
   64   3HZ   LYS   7          HZ3       LYS   7   5.565   1.728  -5.272
   65    H    TRP   8           HN       TRP   8   0.983  -2.136  -0.620
   66    HA   TRP   8           HA       TRP   8  -0.299  -3.228  -2.979
   67   1HB   TRP   8          HB2       TRP   8  -0.009  -4.062  -0.134
   68   2HB   TRP   8          HB1       TRP   8  -1.385  -4.687  -1.039
   69    HD1  TRP   8           HD1      TRP   8   2.471  -4.480  -1.502
   70    HE1  TRP   8           HE1      TRP   8   3.240  -6.648  -2.657
   71    HE3  TRP   8           HE3      TRP   8  -2.083  -6.708  -2.162
   72    HZ2  TRP   8           HZ2      TRP   8   2.070  -8.992  -3.709
   73    HZ3  TRP   8           HZ3      TRP   8  -2.171  -8.912  -3.251
   74    HH2  TRP   8           HH2      TRP   8  -0.136 -10.029  -4.009
   75    H    ALA   9           HN       ALA   9  -0.953  -0.661  -1.026
   76    HA   ALA   9           HA       ALA   9  -3.815  -1.062  -0.800
   77   1HB   ALA   9          HB1       ALA   9  -2.041   1.260  -0.065
   78   2HB   ALA   9          HB2       ALA   9  -2.750   0.067   1.023
   79   3HB   ALA   9          HB3       ALA   9  -3.786   1.225   0.190
   80    H    SER  10           HN       SER  10  -1.545   0.721  -2.795
   81    HA   SER  10           HA       SER  10  -3.546   2.283  -4.113
   82   1HB   SER  10          HB2       SER  10  -0.614   1.875  -4.408
   83   2HB   SER  10          HB1       SER  10  -1.492   2.496  -5.806
   84    HG   SER  10           HG       SER  10  -1.087   4.311  -4.752
   85    H    LEU  11           HN       LEU  11  -2.315  -0.882  -4.486
   86    HA   LEU  11           HA       LEU  11  -3.166  -1.138  -7.245
   87   1HB   LEU  11          HB2       LEU  11  -2.373  -3.461  -5.542
   88   2HB   LEU  11          HB1       LEU  11  -2.146  -3.222  -7.264
   89    HG   LEU  11           HG       LEU  11  -0.640  -1.697  -5.141
   90   1HD1  LEU  11          HD11      LEU  11  -0.177  -4.337  -6.372
   91   2HD1  LEU  11          HD12      LEU  11   0.345  -3.701  -4.812
   92   3HD1  LEU  11          HD13      LEU  11   1.217  -3.261  -6.280
   93   1HD2  LEU  11          HD21      LEU  11  -0.144  -1.989  -8.101
   94   2HD2  LEU  11          HD22      LEU  11   0.803  -1.030  -6.963
   95   3HD2  LEU  11          HD23      LEU  11  -0.862  -0.577  -7.326
   96    H    TRP  12           HN       TRP  12  -4.726  -1.135  -4.350
   97    HA   TRP  12           HA       TRP  12  -6.933  -2.718  -5.451
   98   1HB   TRP  12          HB2       TRP  12  -5.634  -3.053  -2.765
   99   2HB   TRP  12          HB1       TRP  12  -7.339  -3.437  -2.978
  100    HD1  TRP  12           HD1      TRP  12  -3.862  -4.725  -3.768
  101    HE1  TRP  12           HE1      TRP  12  -4.047  -7.082  -4.786
  102    HE3  TRP  12           HE3      TRP  12  -8.926  -4.924  -4.443
  103    HZ2  TRP  12           HZ2      TRP  12  -6.071  -8.798  -5.749
  104    HZ3  TRP  12           HZ3      TRP  12  -9.907  -6.958  -5.419
  105    HH2  TRP  12           HH2      TRP  12  -8.507  -8.854  -6.058
  106    H    ASN  13           HN       ASN  13  -6.369   0.167  -5.220
  107    HA   ASN  13           HA       ASN  13  -7.436   2.102  -4.682
  108   1HB   ASN  13          HB2       ASN  13  -9.592   0.058  -4.725
  109   2HB   ASN  13          HB1       ASN  13  -9.984   1.617  -4.005
  110   1HD2  ASN  13          HD21      ASN  13  -8.705   3.406  -5.496
  111   2HD2  ASN  13          HD22      ASN  13  -9.231   3.345  -7.141
  Start of MODEL    3
    1   1H    GLU   1          HT1       GLU   1   3.272   9.548   2.304
    2   2H    GLU   1          HT2       GLU   1   1.863   9.000   1.491
    3   3H    GLU   1          HT3       GLU   1   3.374   9.019   0.677
    4    HA   GLU   1           HA       GLU   1   2.441   7.258   2.821
    5   1HB   GLU   1          HB2       GLU   1   2.667   7.121   0.013
    6   2HB   GLU   1          HB1       GLU   1   3.946   6.097   0.651
    7   1HG   GLU   1          HG2       GLU   1   2.321   4.549   0.630
    8   2HG   GLU   1          HG1       GLU   1   1.918   5.270   2.188
    9    H    LEU   2           HN       LEU   2   4.000   5.829   3.758
   10    HA   LEU   2           HA       LEU   2   6.784   6.763   3.615
   11   1HB   LEU   2          HB2       LEU   2   5.172   6.197   6.099
   12   2HB   LEU   2          HB1       LEU   2   6.921   6.321   6.096
   13    HG   LEU   2           HG       LEU   2   5.305   8.587   5.008
   14   1HD1  LEU   2          HD11      LEU   2   4.536   7.724   7.373
   15   2HD1  LEU   2          HD12      LEU   2   4.726   9.446   7.043
   16   3HD1  LEU   2          HD13      LEU   2   5.992   8.567   7.900
   17   1HD2  LEU   2          HD21      LEU   2   7.953   8.178   5.156
   18   2HD2  LEU   2          HD22      LEU   2   7.682   8.947   6.720
   19   3HD2  LEU   2          HD23      LEU   2   7.213   9.777   5.237
   20    H    LEU   3           HN       LEU   3   4.608   4.178   4.706
   21    HA   LEU   3           HA       LEU   3   6.655   2.222   4.953
   22   1HB   LEU   3          HB2       LEU   3   3.668   2.174   4.907
   23   2HB   LEU   3          HB1       LEU   3   4.547   0.665   4.751
   24    HG   LEU   3           HG       LEU   3   5.327   2.424   7.007
   25   1HD1  LEU   3          HD11      LEU   3   2.611   1.320   6.644
   26   2HD1  LEU   3          HD12      LEU   3   3.159   2.707   7.584
   27   3HD1  LEU   3          HD13      LEU   3   3.363   1.075   8.220
   28   1HD2  LEU   3          HD21      LEU   3   6.302   0.156   6.429
   29   2HD2  LEU   3          HD22      LEU   3   4.763  -0.528   6.955
   30   3HD2  LEU   3          HD23      LEU   3   5.761   0.379   8.093
   31    H    GLU   4           HN       GLU   4   7.544   0.911   3.483
   32    HA   GLU   4           HA       GLU   4   6.924   1.307   0.700
   33   1HB   GLU   4          HB2       GLU   4   9.249   0.989   1.642
   34   2HB   GLU   4          HB1       GLU   4   8.838  -0.704   1.885
   35   1HG   GLU   4          HG2       GLU   4   9.964  -0.708  -0.134
   36   2HG   GLU   4          HG1       GLU   4   8.268  -0.713  -0.617
   37    H    LEU   5           HN       LEU   5   6.224  -1.064   3.145
   38    HA   LEU   5           HA       LEU   5   5.308  -3.029   1.229
   39   1HB   LEU   5          HB2       LEU   5   4.918  -4.463   3.083
   40   2HB   LEU   5          HB1       LEU   5   6.465  -3.672   3.329
   41    HG   LEU   5           HG       LEU   5   4.359  -2.141   4.536
   42   1HD1  LEU   5          HD11      LEU   5   3.038  -3.970   4.981
   43   2HD1  LEU   5          HD12      LEU   5   4.074  -3.939   6.408
   44   3HD1  LEU   5          HD13      LEU   5   4.413  -5.069   5.096
   45   1HD2  LEU   5          HD21      LEU   5   5.799  -2.147   6.414
   46   2HD2  LEU   5          HD22      LEU   5   6.841  -2.113   4.991
   47   3HD2  LEU   5          HD23      LEU   5   6.608  -3.620   5.877
   48    H    ASP   6           HN       ASP   6   4.013  -0.242   1.988
   49    HA   ASP   6           HA       ASP   6   1.335  -1.110   2.686
   50   1HB   ASP   6          HB2       ASP   6   2.734   1.504   2.441
   51   2HB   ASP   6          HB1       ASP   6   0.989   1.493   2.208
   52    H    LYS   7           HN       LYS   7   2.790  -1.620  -0.018
   53    HA   LYS   7           HA       LYS   7   1.296  -0.221  -1.972
   54   1HB   LYS   7          HB2       LYS   7   3.464  -1.173  -2.501
   55   2HB   LYS   7          HB1       LYS   7   2.874  -2.790  -2.140
   56   1HG   LYS   7          HG2       LYS   7   1.433  -2.766  -4.034
   57   2HG   LYS   7          HG1       LYS   7   1.763  -1.059  -4.330
   58   1HD   LYS   7          HD2       LYS   7   3.899  -3.179  -4.390
   59   2HD   LYS   7          HD1       LYS   7   2.985  -2.696  -5.820
   60   1HE   LYS   7          HE2       LYS   7   3.739  -0.362  -5.450
   61   2HE   LYS   7          HE1       LYS   7   4.737  -0.932  -4.113
   62   1HZ   LYS   7          HZ1       LYS   7   5.545  -2.557  -6.054
   63   2HZ   LYS   7          HZ2       LYS   7   6.280  -1.070  -5.725
   64   3HZ   LYS   7          HZ3       LYS   7   5.148  -1.193  -6.975
   65    H    TRP   8           HN       TRP   8   0.403  -2.660   0.141
   66    HA   TRP   8           HA       TRP   8  -1.306  -4.198  -1.508
   67   1HB   TRP   8          HB2       TRP   8  -2.254  -5.050   0.573
   68   2HB   TRP   8          HB1       TRP   8  -0.498  -4.989   0.683
   69    HD1  TRP   8           HD1      TRP   8   0.517  -2.855   2.140
   70    HE1  TRP   8           HE1      TRP   8  -0.458  -1.715   4.231
   71    HE3  TRP   8           HE3      TRP   8  -4.330  -4.434   1.742
   72    HZ2  TRP   8           HZ2      TRP   8  -2.951  -1.511   5.539
   73    HZ3  TRP   8           HZ3      TRP   8  -5.946  -3.722   3.455
   74    HH2  TRP   8           HH2      TRP   8  -5.270  -2.291   5.314
   75    H    ALA   9           HN       ALA   9  -1.555  -1.044  -0.340
   76    HA   ALA   9           HA       ALA   9  -4.454  -0.977  -0.291
   77   1HB   ALA   9          HB1       ALA   9  -3.132   0.354   1.311
   78   2HB   ALA   9          HB2       ALA   9  -4.217   1.344   0.335
   79   3HB   ALA   9          HB3       ALA   9  -2.493   1.298  -0.035
   80    H    SER  10           HN       SER  10  -1.893  -0.403  -2.530
   81    HA   SER  10           HA       SER  10  -3.503   1.234  -4.296
   82   1HB   SER  10          HB2       SER  10  -0.823   1.092  -3.889
   83   2HB   SER  10          HB1       SER  10  -0.986   0.078  -5.322
   84    HG   SER  10           HG       SER  10  -1.456   2.806  -5.000
   85    H    LEU  11           HN       LEU  11  -3.767  -1.879  -3.599
   86    HA   LEU  11           HA       LEU  11  -3.791  -2.960  -6.289
   87   1HB   LEU  11          HB2       LEU  11  -4.907  -4.416  -3.934
   88   2HB   LEU  11          HB1       LEU  11  -4.072  -5.052  -5.338
   89    HG   LEU  11           HG       LEU  11  -2.745  -3.493  -3.120
   90   1HD1  LEU  11          HD11      LEU  11  -3.044  -6.438  -3.613
   91   2HD1  LEU  11          HD12      LEU  11  -3.377  -5.524  -2.142
   92   3HD1  LEU  11          HD13      LEU  11  -1.712  -5.780  -2.663
   93   1HD2  LEU  11          HD21      LEU  11  -1.820  -3.582  -5.570
   94   2HD2  LEU  11          HD22      LEU  11  -1.320  -5.206  -5.100
   95   3HD2  LEU  11          HD23      LEU  11  -0.741  -3.809  -4.194
   96    H    TRP  12           HN       TRP  12  -5.845  -1.056  -4.586
   97    HA   TRP  12           HA       TRP  12  -8.125  -1.931  -6.195
   98   1HB   TRP  12          HB2       TRP  12  -9.662  -1.711  -4.296
   99   2HB   TRP  12          HB1       TRP  12  -8.451  -2.951  -3.986
  100    HD1  TRP  12           HD1      TRP  12  -6.300  -2.052  -2.388
  101    HE1  TRP  12           HE1      TRP  12  -6.415  -0.534  -0.312
  102    HE3  TRP  12           HE3      TRP  12 -10.876   0.084  -3.194
  103    HZ2  TRP  12           HZ2      TRP  12  -8.208   1.322   0.832
  104    HZ3  TRP  12           HZ3      TRP  12 -11.718   1.720  -1.561
  105    HH2  TRP  12           HH2      TRP  12 -10.411   2.325   0.410
  106    H    ASN  13           HN       ASN  13  -6.234   0.288  -6.366
  107    HA   ASN  13           HA       ASN  13  -7.449   2.680  -5.447
  108   1HB   ASN  13          HB2       ASN  13  -5.150   1.933  -7.096
  109   2HB   ASN  13          HB1       ASN  13  -5.925   3.421  -7.631
  110   1HD2  ASN  13          HD21      ASN  13  -4.139   4.640  -7.011
  111   2HD2  ASN  13          HD22      ASN  13  -3.798   4.983  -5.353
  Start of MODEL    4
    1   1H    GLU   1          HT1       GLU   1   1.924   8.959   1.185
    2   2H    GLU   1          HT2       GLU   1   2.072   8.430   2.811
    3   3H    GLU   1          HT3       GLU   1   0.722   7.947   1.869
    4    HA   GLU   1           HA       GLU   1   2.065   6.120   1.883
    5   1HB   GLU   1          HB2       GLU   1   1.256   6.841  -0.346
    6   2HB   GLU   1          HB1       GLU   1   2.762   7.715  -0.593
    7   1HG   GLU   1          HG2       GLU   1   3.896   5.864  -1.131
    8   2HG   GLU   1          HG1       GLU   1   3.104   4.895   0.110
    9    H    LEU   2           HN       LEU   2   3.979   5.194   2.372
   10    HA   LEU   2           HA       LEU   2   6.517   6.213   1.764
   11   1HB   LEU   2          HB2       LEU   2   5.478   7.789   3.649
   12   2HB   LEU   2          HB1       LEU   2   6.094   6.520   4.690
   13    HG   LEU   2           HG       LEU   2   7.967   7.610   2.664
   14   1HD1  LEU   2          HD11      LEU   2   7.219   9.134   5.155
   15   2HD1  LEU   2          HD12      LEU   2   6.855   9.627   3.502
   16   3HD1  LEU   2          HD13      LEU   2   8.531   9.526   4.043
   17   1HD2  LEU   2          HD21      LEU   2   9.547   6.827   4.072
   18   2HD2  LEU   2          HD22      LEU   2   8.216   5.834   4.665
   19   3HD2  LEU   2          HD23      LEU   2   8.659   7.314   5.516
   20    H    LEU   3           HN       LEU   3   4.583   4.374   4.073
   21    HA   LEU   3           HA       LEU   3   6.573   2.657   5.021
   22   1HB   LEU   3          HB2       LEU   3   3.627   2.136   4.619
   23   2HB   LEU   3          HB1       LEU   3   4.703   1.109   5.548
   24    HG   LEU   3           HG       LEU   3   4.164   4.001   6.214
   25   1HD1  LEU   3          HD11      LEU   3   2.965   1.530   7.454
   26   2HD1  LEU   3          HD12      LEU   3   2.119   2.645   6.381
   27   3HD1  LEU   3          HD13      LEU   3   2.691   3.198   7.955
   28   1HD2  LEU   3          HD21      LEU   3   5.540   3.757   7.983
   29   2HD2  LEU   3          HD22      LEU   3   6.261   2.497   6.982
   30   3HD2  LEU   3          HD23      LEU   3   5.095   2.069   8.234
   31    H    GLU   4           HN       GLU   4   6.733   0.298   4.553
   32    HA   GLU   4           HA       GLU   4   7.111  -0.073   1.708
   33   1HB   GLU   4          HB2       GLU   4   8.808  -0.795   3.385
   34   2HB   GLU   4          HB1       GLU   4   7.667  -1.998   3.971
   35   1HG   GLU   4          HG2       GLU   4   8.629  -3.382   2.526
   36   2HG   GLU   4          HG1       GLU   4   7.739  -2.507   1.281
   37    H    LEU   5           HN       LEU   5   4.846  -1.025   4.151
   38    HA   LEU   5           HA       LEU   5   3.729  -3.161   2.553
   39   1HB   LEU   5          HB2       LEU   5   2.068  -3.319   4.408
   40   2HB   LEU   5          HB1       LEU   5   3.739  -3.563   4.885
   41    HG   LEU   5           HG       LEU   5   3.181  -0.809   5.152
   42   1HD1  LEU   5          HD11      LEU   5   1.279  -0.635   6.464
   43   2HD1  LEU   5          HD12      LEU   5   1.231  -2.366   6.800
   44   3HD1  LEU   5          HD13      LEU   5   0.782  -1.765   5.204
   45   1HD2  LEU   5          HD21      LEU   5   3.969  -1.109   7.323
   46   2HD2  LEU   5          HD22      LEU   5   4.744  -2.411   6.419
   47   3HD2  LEU   5          HD23      LEU   5   3.337  -2.752   7.426
   48    H    ASP   6           HN       ASP   6   3.608  -0.026   2.075
   49    HA   ASP   6           HA       ASP   6   0.742   0.316   1.812
   50   1HB   ASP   6          HB2       ASP   6   3.130   2.080   1.512
   51   2HB   ASP   6          HB1       ASP   6   1.644   2.538   0.683
   52    H    LYS   7           HN       LYS   7   3.199  -1.004  -0.045
   53    HA   LYS   7           HA       LYS   7   2.433  -0.170  -2.630
   54   1HB   LYS   7          HB2       LYS   7   4.575  -1.448  -1.712
   55   2HB   LYS   7          HB1       LYS   7   3.649  -2.853  -2.225
   56   1HG   LYS   7          HG2       LYS   7   3.982  -2.436  -4.394
   57   2HG   LYS   7          HG1       LYS   7   3.759  -0.697  -4.196
   58   1HD   LYS   7          HD2       LYS   7   6.009  -0.419  -3.446
   59   2HD   LYS   7          HD1       LYS   7   6.248  -2.164  -3.338
   60   1HE   LYS   7          HE2       LYS   7   6.554  -2.398  -5.574
   61   2HE   LYS   7          HE1       LYS   7   5.434  -1.096  -5.972
   62   1HZ   LYS   7          HZ1       LYS   7   7.168   0.475  -5.163
   63   2HZ   LYS   7          HZ2       LYS   7   7.607  -0.387  -6.551
   64   3HZ   LYS   7          HZ3       LYS   7   8.239  -0.830  -5.045
   65    H    TRP   8           HN       TRP   8   1.152  -2.458  -0.444
   66    HA   TRP   8           HA       TRP   8  -0.284  -3.976  -2.435
   67   1HB   TRP   8          HB2       TRP   8   0.232  -4.180   0.434
   68   2HB   TRP   8          HB1       TRP   8  -1.423  -4.603   0.006
   69    HD1  TRP   8           HD1      TRP   8  -1.777  -7.028  -0.738
   70    HE1  TRP   8           HE1      TRP   8  -0.261  -8.951  -1.529
   71    HE3  TRP   8           HE3      TRP   8   2.667  -4.511  -0.979
   72    HZ2  TRP   8           HZ2      TRP   8   2.459  -9.349  -2.170
   73    HZ3  TRP   8           HZ3      TRP   8   4.679  -5.737  -1.690
   74    HH2  TRP   8           HH2      TRP   8   4.575  -8.106  -2.272
   75    H    ALA   9           HN       ALA   9  -0.716  -0.958  -1.185
   76    HA   ALA   9           HA       ALA   9  -3.586  -1.055  -0.846
   77   1HB   ALA   9          HB1       ALA   9  -3.361   1.407  -0.532
   78   2HB   ALA   9          HB2       ALA   9  -1.628   1.235  -0.814
   79   3HB   ALA   9          HB3       ALA   9  -2.378   0.446   0.574
   80    H    SER  10           HN       SER  10  -1.355  -0.508  -3.409
   81    HA   SER  10           HA       SER  10  -2.947   1.149  -5.051
   82   1HB   SER  10          HB2       SER  10  -0.504  -0.482  -5.383
   83   2HB   SER  10          HB1       SER  10  -1.423  -0.177  -6.856
   84    HG   SER  10           HG       SER  10  -1.262   2.042  -6.432
   85    H    LEU  11           HN       LEU  11  -3.287  -2.100  -4.180
   86    HA   LEU  11           HA       LEU  11  -4.665  -2.894  -6.604
   87   1HB   LEU  11          HB2       LEU  11  -4.734  -4.527  -4.111
   88   2HB   LEU  11          HB1       LEU  11  -4.662  -5.050  -5.782
   89    HG   LEU  11           HG       LEU  11  -2.366  -3.837  -4.242
   90   1HD1  LEU  11          HD11      LEU  11  -3.314  -6.279  -3.792
   91   2HD1  LEU  11          HD12      LEU  11  -1.587  -5.921  -3.790
   92   3HD1  LEU  11          HD13      LEU  11  -2.338  -6.634  -5.218
   93   1HD2  LEU  11          HD21      LEU  11  -2.144  -5.264  -6.859
   94   2HD2  LEU  11          HD22      LEU  11  -1.044  -4.102  -6.118
   95   3HD2  LEU  11          HD23      LEU  11  -2.567  -3.553  -6.816
   96    H    TRP  12           HN       TRP  12  -5.497  -1.041  -4.037
   97    HA   TRP  12           HA       TRP  12  -8.332  -1.544  -4.474
   98   1HB   TRP  12          HB2       TRP  12  -7.062  -2.562  -2.212
   99   2HB   TRP  12          HB1       TRP  12  -7.834  -1.084  -1.645
  100    HD1  TRP  12           HD1      TRP  12  -8.717  -4.201  -0.984
  101    HE1  TRP  12           HE1      TRP  12 -11.185  -4.823  -1.368
  102    HE3  TRP  12           HE3      TRP  12 -10.018  -0.433  -4.186
  103    HZ2  TRP  12           HZ2      TRP  12 -13.391  -3.846  -2.833
  104    HZ3  TRP  12           HZ3      TRP  12 -12.326  -0.349  -5.033
  105    HH2  TRP  12           HH2      TRP  12 -13.977  -2.022  -4.370
  106    H    ASN  13           HN       ASN  13  -6.484   0.566  -5.221
  107    HA   ASN  13           HA       ASN  13  -7.676   2.812  -3.729
  108   1HB   ASN  13          HB2       ASN  13  -5.232   2.633  -3.402
  109   2HB   ASN  13          HB1       ASN  13  -5.000   2.750  -5.144
  110   1HD2  ASN  13          HD21      ASN  13  -5.799   4.445  -2.236
  111   2HD2  ASN  13          HD22      ASN  13  -5.706   6.040  -2.893
  Start of MODEL    5
    1   1H    GLU   1          HT1       GLU   1   4.785  10.270   6.671
    2   2H    GLU   1          HT2       GLU   1   4.454  10.190   4.989
    3   3H    GLU   1          HT3       GLU   1   6.076  10.148   5.551
    4    HA   GLU   1           HA       GLU   1   5.416   8.095   6.794
    5   1HB   GLU   1          HB2       GLU   1   2.934   8.778   6.110
    6   2HB   GLU   1          HB1       GLU   1   3.316   7.802   4.698
    7   1HG   GLU   1          HG2       GLU   1   3.142   5.892   5.828
    8   2HG   GLU   1          HG1       GLU   1   4.043   6.519   7.208
    9    H    LEU   2           HN       LEU   2   7.169   7.079   6.059
   10    HA   LEU   2           HA       LEU   2   7.535   6.791   3.159
   11   1HB   LEU   2          HB2       LEU   2   9.301   7.486   5.246
   12   2HB   LEU   2          HB1       LEU   2   9.794   5.896   4.697
   13    HG   LEU   2           HG       LEU   2  11.050   7.558   3.499
   14   1HD1  LEU   2          HD11      LEU   2   9.132   6.849   1.375
   15   2HD1  LEU   2          HD12      LEU   2   9.770   5.509   2.328
   16   3HD1  LEU   2          HD13      LEU   2  10.873   6.586   1.472
   17   1HD2  LEU   2          HD21      LEU   2   8.718   8.716   2.116
   18   2HD2  LEU   2          HD22      LEU   2  10.228   9.470   2.627
   19   3HD2  LEU   2          HD23      LEU   2   8.939   9.196   3.798
   20    H    LEU   3           HN       LEU   3   5.679   5.156   4.646
   21    HA   LEU   3           HA       LEU   3   6.857   2.598   5.136
   22   1HB   LEU   3          HB2       LEU   3   3.987   3.452   4.768
   23   2HB   LEU   3          HB1       LEU   3   4.474   1.825   5.204
   24    HG   LEU   3           HG       LEU   3   5.362   4.121   6.903
   25   1HD1  LEU   3          HD11      LEU   3   2.754   3.977   6.346
   26   2HD1  LEU   3          HD12      LEU   3   3.372   4.422   7.937
   27   3HD1  LEU   3          HD13      LEU   3   2.835   2.770   7.630
   28   1HD2  LEU   3          HD21      LEU   3   4.741   1.212   7.379
   29   2HD2  LEU   3          HD22      LEU   3   5.132   2.361   8.658
   30   3HD2  LEU   3          HD23      LEU   3   6.322   1.993   7.410
   31    H    GLU   4           HN       GLU   4   7.500   1.190   3.660
   32    HA   GLU   4           HA       GLU   4   6.679   1.497   0.894
   33   1HB   GLU   4          HB2       GLU   4   8.889   0.210   2.330
   34   2HB   GLU   4          HB1       GLU   4   8.300  -0.716   0.957
   35   1HG   GLU   4          HG2       GLU   4   8.690   1.142  -0.522
   36   2HG   GLU   4          HG1       GLU   4   9.152   2.167   0.836
   37    H    LEU   5           HN       LEU   5   5.397  -0.070   3.503
   38    HA   LEU   5           HA       LEU   5   4.623  -2.498   2.135
   39   1HB   LEU   5          HB2       LEU   5   3.349  -2.945   4.243
   40   2HB   LEU   5          HB1       LEU   5   5.086  -2.777   4.432
   41    HG   LEU   5           HG       LEU   5   3.909  -0.216   4.758
   42   1HD1  LEU   5          HD11      LEU   5   2.565  -0.682   6.803
   43   2HD1  LEU   5          HD12      LEU   5   2.613  -2.394   6.383
   44   3HD1  LEU   5          HD13      LEU   5   1.821  -1.244   5.306
   45   1HD2  LEU   5          HD21      LEU   5   5.885  -0.464   5.865
   46   2HD2  LEU   5          HD22      LEU   5   5.537  -2.127   6.339
   47   3HD2  LEU   5          HD23      LEU   5   4.775  -0.787   7.196
   48    H    ASP   6           HN       ASP   6   3.655   0.449   1.569
   49    HA   ASP   6           HA       ASP   6   0.788   0.108   1.828
   50   1HB   ASP   6          HB2       ASP   6   2.622   2.326   1.312
   51   2HB   ASP   6          HB1       ASP   6   1.180   2.376   0.302
   52    H    LYS   7           HN       LYS   7   2.646  -1.485  -0.083
   53    HA   LYS   7           HA       LYS   7   1.717  -0.778  -2.698
   54   1HB   LYS   7          HB2       LYS   7   2.985  -3.381  -1.851
   55   2HB   LYS   7          HB1       LYS   7   2.928  -2.697  -3.470
   56   1HG   LYS   7          HG2       LYS   7   4.190  -0.944  -1.509
   57   2HG   LYS   7          HG1       LYS   7   5.017  -2.488  -1.721
   58   1HD   LYS   7          HD2       LYS   7   4.266  -1.456  -4.284
   59   2HD   LYS   7          HD1       LYS   7   5.126  -0.206  -3.383
   60   1HE   LYS   7          HE2       LYS   7   6.917  -1.873  -2.914
   61   2HE   LYS   7          HE1       LYS   7   6.080  -3.004  -3.977
   62   1HZ   LYS   7          HZ1       LYS   7   7.920  -1.743  -5.043
   63   2HZ   LYS   7          HZ2       LYS   7   7.018  -0.326  -4.843
   64   3HZ   LYS   7          HZ3       LYS   7   6.428  -1.572  -5.823
   65    H    TRP   8           HN       TRP   8   0.190  -2.237  -0.146
   66    HA   TRP   8           HA       TRP   8  -1.275  -4.232  -1.622
   67   1HB   TRP   8          HB2       TRP   8  -1.032  -3.389   1.174
   68   2HB   TRP   8          HB1       TRP   8  -2.670  -3.847   0.720
   69    HD1  TRP   8           HD1      TRP   8  -2.992  -6.228   1.611
   70    HE1  TRP   8           HE1      TRP   8  -1.678  -8.437   1.472
   71    HE3  TRP   8           HE3      TRP   8   1.213  -4.525  -0.746
   72    HZ2  TRP   8           HZ2      TRP   8   0.812  -9.338   0.493
   73    HZ3  TRP   8           HZ3      TRP   8   3.014  -6.124  -1.247
   74    HH2  TRP   8           HH2      TRP   8   2.816  -8.481  -0.640
   75    H    ALA   9           HN       ALA   9  -1.429  -0.943  -1.606
   76    HA   ALA   9           HA       ALA   9  -4.284  -0.604  -1.518
   77   1HB   ALA   9          HB1       ALA   9  -2.480   1.440  -2.717
   78   2HB   ALA   9          HB2       ALA   9  -2.370   1.107  -0.989
   79   3HB   ALA   9          HB3       ALA   9  -3.896   1.649  -1.688
   80    H    SER  10           HN       SER  10  -2.302  -1.966  -3.786
   81    HA   SER  10           HA       SER  10  -3.367  -0.819  -6.172
   82   1HB   SER  10          HB2       SER  10  -1.183  -2.328  -5.658
   83   2HB   SER  10          HB1       SER  10  -2.270  -3.566  -6.289
   84    HG   SER  10           HG       SER  10  -1.982  -2.774  -8.205
   85    H    LEU  11           HN       LEU  11  -4.717  -2.860  -3.895
   86    HA   LEU  11           HA       LEU  11  -6.312  -4.408  -5.755
   87   1HB   LEU  11          HB2       LEU  11  -6.817  -4.300  -2.808
   88   2HB   LEU  11          HB1       LEU  11  -7.071  -5.628  -3.924
   89    HG   LEU  11           HG       LEU  11  -4.292  -4.680  -3.329
   90   1HD1  LEU  11          HD11      LEU  11  -6.133  -6.107  -1.518
   91   2HD1  LEU  11          HD12      LEU  11  -4.729  -5.104  -1.155
   92   3HD1  LEU  11          HD13      LEU  11  -4.509  -6.776  -1.673
   93   1HD2  LEU  11          HD21      LEU  11  -4.701  -6.255  -5.183
   94   2HD2  LEU  11          HD22      LEU  11  -5.420  -7.385  -4.036
   95   3HD2  LEU  11          HD23      LEU  11  -3.715  -6.957  -3.899
   96    H    TRP  12           HN       TRP  12  -6.446  -1.317  -4.665
   97    HA   TRP  12           HA       TRP  12  -9.361  -1.217  -5.032
   98   1HB   TRP  12          HB2       TRP  12  -8.244  -0.807  -2.605
   99   2HB   TRP  12          HB1       TRP  12  -8.166   0.828  -3.253
  100    HD1  TRP  12           HD1      TRP  12 -10.198   2.212  -2.585
  101    HE1  TRP  12           HE1      TRP  12 -12.686   1.749  -2.114
  102    HE3  TRP  12           HE3      TRP  12 -10.261  -2.828  -3.439
  103    HZ2  TRP  12           HZ2      TRP  12 -14.442  -0.461  -2.106
  104    HZ3  TRP  12           HZ3      TRP  12 -12.386  -4.042  -3.177
  105    HH2  TRP  12           HH2      TRP  12 -14.432  -2.881  -2.524
  106    H    ASN  13           HN       ASN  13  -7.181  -0.791  -6.912
  107    HA   ASN  13           HA       ASN  13  -7.398   2.097  -7.411
  108   1HB   ASN  13          HB2       ASN  13  -5.117   0.919  -7.278
  109   2HB   ASN  13          HB1       ASN  13  -5.529   0.214  -8.838
  110   1HD2  ASN  13          HD21      ASN  13  -3.563   1.375  -9.475
  111   2HD2  ASN  13          HD22      ASN  13  -3.704   3.028  -9.956
  Start of MODEL    6
    1   1H    GLU   1          HT1       GLU   1   1.235   8.509   4.418
    2   2H    GLU   1          HT2       GLU   1   1.493   8.235   2.743
    3   3H    GLU   1          HT3       GLU   1   2.754   8.878   3.714
    4    HA   GLU   1           HA       GLU   1   3.027   6.903   4.863
    5   1HB   GLU   1          HB2       GLU   1   0.604   6.438   5.062
    6   2HB   GLU   1          HB1       GLU   1   0.575   5.935   3.378
    7   1HG   GLU   1          HG2       GLU   1   2.572   4.383   4.427
    8   2HG   GLU   1          HG1       GLU   1   1.417   4.481   5.755
    9    H    LEU   2           HN       LEU   2   4.907   6.958   3.634
   10    HA   LEU   2           HA       LEU   2   4.781   5.622   1.012
   11   1HB   LEU   2          HB2       LEU   2   6.962   6.695   0.558
   12   2HB   LEU   2          HB1       LEU   2   5.665   7.845   0.822
   13    HG   LEU   2           HG       LEU   2   6.808   7.491   3.345
   14   1HD1  LEU   2          HD11      LEU   2   8.695   6.538   1.654
   15   2HD1  LEU   2          HD12      LEU   2   9.040   7.315   3.200
   16   3HD1  LEU   2          HD13      LEU   2   9.122   8.249   1.706
   17   1HD2  LEU   2          HD21      LEU   2   7.227   9.774   3.227
   18   2HD2  LEU   2          HD22      LEU   2   5.910   9.547   2.076
   19   3HD2  LEU   2          HD23      LEU   2   7.566   9.722   1.497
   20    H    LEU   3           HN       LEU   3   4.725   4.122   3.402
   21    HA   LEU   3           HA       LEU   3   7.333   3.179   4.075
   22   1HB   LEU   3          HB2       LEU   3   4.548   2.504   4.773
   23   2HB   LEU   3          HB1       LEU   3   5.685   1.174   4.872
   24    HG   LEU   3           HG       LEU   3   5.359   2.351   7.026
   25   1HD1  LEU   3          HD11      LEU   3   7.966   2.026   5.679
   26   2HD1  LEU   3          HD12      LEU   3   7.350   1.292   7.160
   27   3HD1  LEU   3          HD13      LEU   3   7.965   2.945   7.184
   28   1HD2  LEU   3          HD21      LEU   3   6.669   4.659   5.593
   29   2HD2  LEU   3          HD22      LEU   3   6.333   4.577   7.322
   30   3HD2  LEU   3          HD23      LEU   3   5.002   4.601   6.166
   31    H    GLU   4           HN       GLU   4   7.449   0.560   4.013
   32    HA   GLU   4           HA       GLU   4   7.726  -0.039   1.200
   33   1HB   GLU   4          HB2       GLU   4   9.449  -0.642   2.925
   34   2HB   GLU   4          HB1       GLU   4   8.316  -1.826   3.563
   35   1HG   GLU   4          HG2       GLU   4   9.901  -2.921   2.136
   36   2HG   GLU   4          HG1       GLU   4   8.310  -2.960   1.378
   37    H    LEU   5           HN       LEU   5   5.615  -0.898   3.838
   38    HA   LEU   5           HA       LEU   5   4.367  -3.051   2.360
   39   1HB   LEU   5          HB2       LEU   5   3.063  -3.454   4.305
   40   2HB   LEU   5          HB1       LEU   5   4.718  -3.167   4.815
   41    HG   LEU   5           HG       LEU   5   3.237  -0.707   4.780
   42   1HD1  LEU   5          HD11      LEU   5   1.896  -1.478   6.899
   43   2HD1  LEU   5          HD12      LEU   5   1.964  -3.050   6.103
   44   3HD1  LEU   5          HD13      LEU   5   1.222  -1.677   5.282
   45   1HD2  LEU   5          HD21      LEU   5   4.777  -2.306   6.792
   46   2HD2  LEU   5          HD22      LEU   5   3.926  -0.832   7.252
   47   3HD2  LEU   5          HD23      LEU   5   5.200  -0.771   6.034
   48    H    ASP   6           HN       ASP   6   4.237  -0.034   1.650
   49    HA   ASP   6           HA       ASP   6   1.426   0.552   1.835
   50   1HB   ASP   6          HB2       ASP   6   1.978   2.569   0.560
   51   2HB   ASP   6          HB1       ASP   6   3.093   2.354   1.906
   52    H    LYS   7           HN       LYS   7   3.064  -1.573  -0.055
   53    HA   LYS   7           HA       LYS   7   1.935  -1.018  -2.613
   54   1HB   LYS   7          HB2       LYS   7   3.138  -3.560  -1.510
   55   2HB   LYS   7          HB1       LYS   7   2.730  -3.290  -3.199
   56   1HG   LYS   7          HG2       LYS   7   4.307  -1.149  -2.721
   57   2HG   LYS   7          HG1       LYS   7   5.020  -2.337  -1.629
   58   1HD   LYS   7          HD2       LYS   7   5.194  -3.920  -3.517
   59   2HD   LYS   7          HD1       LYS   7   4.559  -2.673  -4.592
   60   1HE   LYS   7          HE2       LYS   7   6.861  -1.869  -2.945
   61   2HE   LYS   7          HE1       LYS   7   7.194  -3.113  -4.149
   62   1HZ   LYS   7          HZ1       LYS   7   7.570  -0.977  -5.116
   63   2HZ   LYS   7          HZ2       LYS   7   6.042  -0.423  -4.646
   64   3HZ   LYS   7          HZ3       LYS   7   6.177  -1.630  -5.823
   65    H    TRP   8           HN       TRP   8   0.568  -2.160   0.207
   66    HA   TRP   8           HA       TRP   8  -1.320  -3.963  -1.044
   67   1HB   TRP   8          HB2       TRP   8  -0.396  -3.477   1.620
   68   2HB   TRP   8          HB1       TRP   8  -2.149  -3.313   1.593
   69    HD1  TRP   8           HD1      TRP   8   0.598  -5.897   0.768
   70    HE1  TRP   8           HE1      TRP   8  -0.434  -8.248   0.945
   71    HE3  TRP   8           HE3      TRP   8  -4.276  -4.586   1.586
   72    HZ2  TRP   8           HZ2      TRP   8  -2.977  -9.395   1.375
   73    HZ3  TRP   8           HZ3      TRP   8  -5.946  -6.371   1.870
   74    HH2  TRP   8           HH2      TRP   8  -5.308  -8.725   1.766
   75    H    ALA   9           HN       ALA   9  -1.053  -0.654  -0.706
   76    HA   ALA   9           HA       ALA   9  -3.888  -0.116  -0.413
   77   1HB   ALA   9          HB1       ALA   9  -3.332   2.106  -0.151
   78   2HB   ALA   9          HB2       ALA   9  -1.885   1.973  -1.150
   79   3HB   ALA   9          HB3       ALA   9  -1.895   1.301   0.480
   80    H    SER  10           HN       SER  10  -1.612  -0.603  -2.948
   81    HA   SER  10           HA       SER  10  -3.087   0.833  -4.958
   82   1HB   SER  10          HB2       SER  10  -1.445  -0.711  -6.418
   83   2HB   SER  10          HB1       SER  10  -0.904   0.769  -5.626
   84    HG   SER  10           HG       SER  10   0.122  -0.383  -4.127
   85    H    LEU  11           HN       LEU  11  -3.797  -1.943  -3.365
   86    HA   LEU  11           HA       LEU  11  -4.645  -3.543  -5.608
   87   1HB   LEU  11          HB2       LEU  11  -5.551  -4.014  -2.797
   88   2HB   LEU  11          HB1       LEU  11  -5.237  -5.182  -4.066
   89    HG   LEU  11           HG       LEU  11  -3.096  -3.598  -2.647
   90   1HD1  LEU  11          HD11      LEU  11  -3.345  -6.508  -2.243
   91   2HD1  LEU  11          HD12      LEU  11  -4.566  -5.504  -1.460
   92   3HD1  LEU  11          HD13      LEU  11  -2.856  -5.239  -1.120
   93   1HD2  LEU  11          HD21      LEU  11  -2.509  -6.111  -4.074
   94   2HD2  LEU  11          HD22      LEU  11  -1.567  -4.625  -3.953
   95   3HD2  LEU  11          HD23      LEU  11  -2.919  -4.723  -5.082
   96    H    TRP  12           HN       TRP  12  -5.861  -0.826  -4.198
   97    HA   TRP  12           HA       TRP  12  -8.635  -1.568  -4.854
   98   1HB   TRP  12          HB2       TRP  12  -7.493  -0.148  -2.574
   99   2HB   TRP  12          HB1       TRP  12  -8.805   0.743  -3.338
  100    HD1  TRP  12           HD1      TRP  12  -8.106  -2.581  -1.538
  101    HE1  TRP  12           HE1      TRP  12 -10.340  -3.518  -0.668
  102    HE3  TRP  12           HE3      TRP  12 -11.293   0.791  -3.685
  103    HZ2  TRP  12           HZ2      TRP  12 -13.089  -2.908  -0.866
  104    HZ3  TRP  12           HZ3      TRP  12 -13.710   0.544  -3.295
  105    HH2  TRP  12           HH2      TRP  12 -14.588  -1.269  -1.915
  106    H    ASN  13           HN       ASN  13  -6.009   0.254  -5.854
  107    HA   ASN  13           HA       ASN  13  -5.718   1.867  -7.428
  108   1HB   ASN  13          HB2       ASN  13  -8.397   0.739  -8.111
  109   2HB   ASN  13          HB1       ASN  13  -7.885   2.218  -8.919
  110   1HD2  ASN  13          HD21      ASN  13  -7.025   1.845 -10.815
  111   2HD2  ASN  13          HD22      ASN  13  -6.047   0.490 -11.250
  Start of MODEL    7
    1   1H    GLU   1          HT1       GLU   1  10.321   5.040   6.519
    2   2H    GLU   1          HT2       GLU   1  11.166   4.334   5.203
    3   3H    GLU   1          HT3       GLU   1   9.852   3.501   5.928
    4    HA   GLU   1           HA       GLU   1   9.567   6.128   4.653
    5   1HB   GLU   1          HB2       GLU   1  10.520   4.210   3.196
    6   2HB   GLU   1          HB1       GLU   1   8.920   3.496   3.347
    7   1HG   GLU   1          HG2       GLU   1   7.930   5.092   2.053
    8   2HG   GLU   1          HG1       GLU   1   9.122   6.324   2.464
    9    H    LEU   2           HN       LEU   2   7.468   6.814   4.576
   10    HA   LEU   2           HA       LEU   2   5.623   5.556   6.382
   11   1HB   LEU   2          HB2       LEU   2   5.982   8.082   5.903
   12   2HB   LEU   2          HB1       LEU   2   4.921   7.811   4.534
   13    HG   LEU   2           HG       LEU   2   3.966   6.888   7.192
   14   1HD1  LEU   2          HD11      LEU   2   3.146   9.119   7.756
   15   2HD1  LEU   2          HD12      LEU   2   4.019   9.790   6.379
   16   3HD1  LEU   2          HD13      LEU   2   4.908   9.070   7.720
   17   1HD2  LEU   2          HD21      LEU   2   2.321   8.490   5.340
   18   2HD2  LEU   2          HD22      LEU   2   1.927   7.019   6.230
   19   3HD2  LEU   2          HD23      LEU   2   2.867   6.924   4.741
   20    H    LEU   3           HN       LEU   3   6.000   5.820   2.908
   21    HA   LEU   3           HA       LEU   3   3.432   4.573   2.391
   22   1HB   LEU   3          HB2       LEU   3   5.599   5.757   0.721
   23   2HB   LEU   3          HB1       LEU   3   4.493   4.620  -0.026
   24    HG   LEU   3           HG       LEU   3   2.674   6.213   1.072
   25   1HD1  LEU   3          HD11      LEU   3   4.162   7.694   2.209
   26   2HD1  LEU   3          HD12      LEU   3   3.451   8.573   0.856
   27   3HD1  LEU   3          HD13      LEU   3   5.102   7.963   0.742
   28   1HD2  LEU   3          HD21      LEU   3   3.078   7.653  -1.142
   29   2HD2  LEU   3          HD22      LEU   3   2.411   6.021  -1.171
   30   3HD2  LEU   3          HD23      LEU   3   4.123   6.280  -1.507
   31    H    GLU   4           HN       GLU   4   5.959   3.241   3.681
   32    HA   GLU   4           HA       GLU   4   6.896   1.231   2.001
   33   1HB   GLU   4          HB2       GLU   4   7.861   1.783   4.212
   34   2HB   GLU   4          HB1       GLU   4   6.454   1.069   4.987
   35   1HG   GLU   4          HG2       GLU   4   7.021  -1.099   3.991
   36   2HG   GLU   4          HG1       GLU   4   8.451  -0.374   3.259
   37    H    LEU   5           HN       LEU   5   4.241   1.049   4.375
   38    HA   LEU   5           HA       LEU   5   3.384  -1.489   3.282
   39   1HB   LEU   5          HB2       LEU   5   1.650  -1.385   5.056
   40   2HB   LEU   5          HB1       LEU   5   3.300  -1.310   5.651
   41    HG   LEU   5           HG       LEU   5   2.500   1.343   5.231
   42   1HD1  LEU   5          HD11      LEU   5   0.531   1.469   6.754
   43   2HD1  LEU   5          HD12      LEU   5   0.388  -0.284   6.629
   44   3HD1  LEU   5          HD13      LEU   5   0.192   0.722   5.193
   45   1HD2  LEU   5          HD21      LEU   5   3.960   1.068   6.960
   46   2HD2  LEU   5          HD22      LEU   5   3.175  -0.403   7.534
   47   3HD2  LEU   5          HD23      LEU   5   2.455   1.171   7.873
   48    H    ASP   6           HN       ASP   6   3.080   1.379   2.009
   49    HA   ASP   6           HA       ASP   6   0.210   1.467   1.612
   50   1HB   ASP   6          HB2       ASP   6   2.505   3.200   0.735
   51   2HB   ASP   6          HB1       ASP   6   0.902   3.395   0.032
   52    H    LYS   7           HN       LYS   7   2.411  -0.542   0.420
   53    HA   LYS   7           HA       LYS   7   1.897  -0.321  -2.398
   54   1HB   LYS   7          HB2       LYS   7   3.169  -2.555  -0.810
   55   2HB   LYS   7          HB1       LYS   7   3.160  -2.432  -2.564
   56   1HG   LYS   7          HG2       LYS   7   4.590  -0.567  -2.547
   57   2HG   LYS   7          HG1       LYS   7   4.352  -0.301  -0.818
   58   1HD   LYS   7          HD2       LYS   7   5.827  -1.927  -0.228
   59   2HD   LYS   7          HD1       LYS   7   5.451  -2.928  -1.632
   60   1HE   LYS   7          HE2       LYS   7   7.741  -2.014  -1.697
   61   2HE   LYS   7          HE1       LYS   7   6.756  -1.487  -3.061
   62   1HZ   LYS   7          HZ1       LYS   7   7.928   0.391  -2.268
   63   2HZ   LYS   7          HZ2       LYS   7   7.499   0.086  -0.661
   64   3HZ   LYS   7          HZ3       LYS   7   6.324   0.589  -1.768
   65    H    TRP   8           HN       TRP   8   0.049  -1.404   0.132
   66    HA   TRP   8           HA       TRP   8  -1.172  -3.638  -1.254
   67   1HB   TRP   8          HB2       TRP   8  -1.458  -2.402   1.450
   68   2HB   TRP   8          HB1       TRP   8  -2.778  -3.386   0.827
   69    HD1  TRP   8           HD1      TRP   8  -0.880  -5.581  -0.634
   70    HE1  TRP   8           HE1      TRP   8   0.336  -7.305   0.839
   71    HE3  TRP   8           HE3      TRP   8  -1.022  -3.084   3.825
   72    HZ2  TRP   8           HZ2      TRP   8   1.130  -7.572   3.535
   73    HZ3  TRP   8           HZ3      TRP   8  -0.012  -4.144   5.803
   74    HH2  TRP   8           HH2      TRP   8   1.041  -6.342   5.659
   75    H    ALA   9           HN       ALA   9  -1.441  -0.352  -1.487
   76    HA   ALA   9           HA       ALA   9  -4.295  -0.119  -1.697
   77   1HB   ALA   9          HB1       ALA   9  -3.493   1.926  -1.157
   78   2HB   ALA   9          HB2       ALA   9  -3.432   2.104  -2.910
   79   3HB   ALA   9          HB3       ALA   9  -1.973   1.679  -2.016
   80    H    SER  10           HN       SER  10  -1.804  -1.195  -3.772
   81    HA   SER  10           HA       SER  10  -2.834  -0.431  -6.272
   82   1HB   SER  10          HB2       SER  10  -1.409  -3.035  -6.004
   83   2HB   SER  10          HB1       SER  10  -1.185  -1.748  -7.188
   84    HG   SER  10           HG       SER  10   0.044  -2.141  -4.782
   85    H    LEU  11           HN       LEU  11  -3.988  -2.671  -4.002
   86    HA   LEU  11           HA       LEU  11  -5.370  -4.324  -5.941
   87   1HB   LEU  11          HB2       LEU  11  -5.897  -4.409  -2.997
   88   2HB   LEU  11          HB1       LEU  11  -5.979  -5.709  -4.171
   89    HG   LEU  11           HG       LEU  11  -3.349  -4.442  -3.481
   90   1HD1  LEU  11          HD11      LEU  11  -4.826  -6.565  -1.947
   91   2HD1  LEU  11          HD12      LEU  11  -4.157  -5.050  -1.343
   92   3HD1  LEU  11          HD13      LEU  11  -3.079  -6.348  -1.854
   93   1HD2  LEU  11          HD21      LEU  11  -2.850  -7.027  -3.928
   94   2HD2  LEU  11          HD22      LEU  11  -2.920  -5.830  -5.221
   95   3HD2  LEU  11          HD23      LEU  11  -4.316  -6.856  -4.892
   96    H    TRP  12           HN       TRP  12  -5.893  -1.324  -4.724
   97    HA   TRP  12           HA       TRP  12  -8.771  -1.572  -4.395
   98   1HB   TRP  12          HB2       TRP  12  -6.730   0.408  -3.695
   99   2HB   TRP  12          HB1       TRP  12  -8.215   1.125  -4.313
  100    HD1  TRP  12           HD1      TRP  12  -9.582   1.887  -2.293
  101    HE1  TRP  12           HE1      TRP  12 -10.259   0.866  -0.029
  102    HE3  TRP  12           HE3      TRP  12  -6.952  -2.490  -2.556
  103    HZ2  TRP  12           HZ2      TRP  12  -9.746  -1.484   1.449
  104    HZ3  TRP  12           HZ3      TRP  12  -7.099  -4.069  -0.676
  105    HH2  TRP  12           HH2      TRP  12  -8.468  -3.575   1.285
  106    H    ASN  13           HN       ASN  13  -6.616  -1.087  -6.926
  107    HA   ASN  13           HA       ASN  13  -8.233   0.707  -8.486
  108   1HB   ASN  13          HB2       ASN  13  -5.669  -0.740  -8.844
  109   2HB   ASN  13          HB1       ASN  13  -6.565  -0.365 -10.313
  110   1HD2  ASN  13          HD21      ASN  13  -5.818   1.395 -11.223
  111   2HD2  ASN  13          HD22      ASN  13  -5.305   2.830 -10.409
  Start of MODEL    8
    1   1H    GLU   1          HT1       GLU   1   9.973   8.284   6.001
    2   2H    GLU   1          HT2       GLU   1   9.473   9.377   4.776
    3   3H    GLU   1          HT3       GLU   1   9.961   7.785   4.362
    4    HA   GLU   1           HA       GLU   1   7.696   8.332   6.140
    5   1HB   GLU   1          HB2       GLU   1   7.944   8.517   3.187
    6   2HB   GLU   1          HB1       GLU   1   6.524   7.686   3.806
    7   1HG   GLU   1          HG2       GLU   1   5.577   9.681   3.975
    8   2HG   GLU   1          HG1       GLU   1   6.656   9.978   5.338
    9    H    LEU   2           HN       LEU   2   6.600   6.498   6.702
   10    HA   LEU   2           HA       LEU   2   7.885   3.969   5.975
   11   1HB   LEU   2          HB2       LEU   2   7.099   4.975   8.407
   12   2HB   LEU   2          HB1       LEU   2   5.775   3.897   8.007
   13    HG   LEU   2           HG       LEU   2   7.670   2.164   7.538
   14   1HD1  LEU   2          HD11      LEU   2   9.345   4.157   7.969
   15   2HD1  LEU   2          HD12      LEU   2   9.734   2.504   8.446
   16   3HD1  LEU   2          HD13      LEU   2   9.141   3.652   9.647
   17   1HD2  LEU   2          HD21      LEU   2   7.165   1.228   9.543
   18   2HD2  LEU   2          HD22      LEU   2   5.932   2.489   9.532
   19   3HD2  LEU   2          HD23      LEU   2   7.428   2.726  10.435
   20    H    LEU   3           HN       LEU   3   6.092   5.340   4.149
   21    HA   LEU   3           HA       LEU   3   3.626   3.812   4.193
   22   1HB   LEU   3          HB2       LEU   3   4.228   6.307   3.308
   23   2HB   LEU   3          HB1       LEU   3   4.283   5.405   1.805
   24    HG   LEU   3           HG       LEU   3   1.956   4.504   2.548
   25   1HD1  LEU   3          HD11      LEU   3   1.886   5.334   4.779
   26   2HD1  LEU   3          HD12      LEU   3   0.702   6.242   3.838
   27   3HD1  LEU   3          HD13      LEU   3   2.255   6.973   4.244
   28   1HD2  LEU   3          HD21      LEU   3   1.772   7.367   1.835
   29   2HD2  LEU   3          HD22      LEU   3   1.041   5.956   1.071
   30   3HD2  LEU   3          HD23      LEU   3   2.735   6.343   0.771
   31    H    GLU   4           HN       GLU   4   6.535   2.785   3.535
   32    HA   GLU   4           HA       GLU   4   6.651   1.903   0.915
   33   1HB   GLU   4          HB2       GLU   4   8.446   1.720   2.678
   34   2HB   GLU   4          HB1       GLU   4   7.594   0.315   3.303
   35   1HG   GLU   4          HG2       GLU   4   9.006  -0.792   1.955
   36   2HG   GLU   4          HG1       GLU   4   7.804  -0.397   0.727
   37    H    LEU   5           HN       LEU   5   4.638   0.806   3.507
   38    HA   LEU   5           HA       LEU   5   3.948  -1.673   2.184
   39   1HB   LEU   5          HB2       LEU   5   2.359  -1.933   4.094
   40   2HB   LEU   5          HB1       LEU   5   4.052  -1.810   4.541
   41    HG   LEU   5           HG       LEU   5   2.973   0.805   4.529
   42   1HD1  LEU   5          HD11      LEU   5   0.777  -0.297   4.749
   43   2HD1  LEU   5          HD12      LEU   5   1.210   0.652   6.171
   44   3HD1  LEU   5          HD13      LEU   5   1.355  -1.106   6.206
   45   1HD2  LEU   5          HD21      LEU   5   4.182  -1.077   6.483
   46   2HD2  LEU   5          HD22      LEU   5   3.385   0.369   7.103
   47   3HD2  LEU   5          HD23      LEU   5   4.724   0.520   5.965
   48    H    ASP   6           HN       ASP   6   3.300   1.123   1.095
   49    HA   ASP   6           HA       ASP   6   0.437   1.259   1.135
   50   1HB   ASP   6          HB2       ASP   6   0.738   3.070  -0.529
   51   2HB   ASP   6          HB1       ASP   6   1.725   3.304   0.910
   52    H    LYS   7           HN       LYS   7   2.514  -0.794  -0.427
   53    HA   LYS   7           HA       LYS   7   1.465  -0.893  -3.033
   54   1HB   LYS   7          HB2       LYS   7   2.811  -3.019  -1.369
   55   2HB   LYS   7          HB1       LYS   7   2.426  -3.209  -3.074
   56   1HG   LYS   7          HG2       LYS   7   3.911  -1.423  -3.669
   57   2HG   LYS   7          HG1       LYS   7   4.199  -1.043  -1.970
   58   1HD   LYS   7          HD2       LYS   7   5.683  -2.717  -1.720
   59   2HD   LYS   7          HD1       LYS   7   4.740  -3.832  -2.710
   60   1HE   LYS   7          HE2       LYS   7   5.544  -2.665  -4.731
   61   2HE   LYS   7          HE1       LYS   7   6.541  -1.629  -3.710
   62   1HZ   LYS   7          HZ1       LYS   7   7.457  -3.888  -2.863
   63   2HZ   LYS   7          HZ2       LYS   7   8.019  -3.252  -4.326
   64   3HZ   LYS   7          HZ3       LYS   7   6.860  -4.484  -4.330
   65    H    TRP   8           HN       TRP   8   0.103  -1.801  -0.076
   66    HA   TRP   8           HA       TRP   8  -1.604  -3.878  -1.104
   67   1HB   TRP   8          HB2       TRP   8  -0.749  -3.201   1.409
   68   2HB   TRP   8          HB1       TRP   8  -2.403  -2.597   1.417
   69    HD1  TRP   8           HD1      TRP   8  -4.107  -4.316   2.220
   70    HE1  TRP   8           HE1      TRP   8  -4.256  -6.885   2.287
   71    HE3  TRP   8           HE3      TRP   8   0.287  -5.448  -0.136
   72    HZ2  TRP   8           HZ2      TRP   8  -2.716  -9.098   1.451
   73    HZ3  TRP   8           HZ3      TRP   8   0.875  -7.815  -0.463
   74    HH2  TRP   8           HH2      TRP   8  -0.596  -9.601   0.316
   75    H    ALA   9           HN       ALA   9  -1.612  -0.574  -1.421
   76    HA   ALA   9           HA       ALA   9  -4.486  -0.209  -1.280
   77   1HB   ALA   9          HB1       ALA   9  -4.078   2.009  -1.258
   78   2HB   ALA   9          HB2       ALA   9  -2.824   1.900  -2.493
   79   3HB   ALA   9          HB3       ALA   9  -2.451   1.491  -0.819
   80    H    SER  10           HN       SER  10  -2.103  -1.010  -3.635
   81    HA   SER  10           HA       SER  10  -3.568  -0.124  -5.928
   82   1HB   SER  10          HB2       SER  10  -1.883  -1.867  -7.021
   83   2HB   SER  10          HB1       SER  10  -1.339  -0.286  -6.459
   84    HG   SER  10           HG       SER  10  -1.274  -2.634  -4.870
   85    H    LEU  11           HN       LEU  11  -4.146  -2.598  -3.791
   86    HA   LEU  11           HA       LEU  11  -4.993  -4.603  -5.668
   87   1HB   LEU  11          HB2       LEU  11  -5.862  -4.546  -2.807
   88   2HB   LEU  11          HB1       LEU  11  -5.523  -5.928  -3.830
   89    HG   LEU  11           HG       LEU  11  -3.429  -4.041  -2.751
   90   1HD1  LEU  11          HD11      LEU  11  -4.665  -6.494  -1.668
   91   2HD1  LEU  11          HD12      LEU  11  -3.921  -5.130  -0.834
   92   3HD1  LEU  11          HD13      LEU  11  -2.909  -6.379  -1.558
   93   1HD2  LEU  11          HD21      LEU  11  -2.751  -6.737  -3.735
   94   2HD2  LEU  11          HD22      LEU  11  -1.868  -5.218  -3.880
   95   3HD2  LEU  11          HD23      LEU  11  -3.220  -5.558  -4.959
   96    H    TRP  12           HN       TRP  12  -6.275  -1.698  -4.799
   97    HA   TRP  12           HA       TRP  12  -8.986  -2.591  -5.501
   98   1HB   TRP  12          HB2       TRP  12  -8.205  -1.503  -3.021
   99   2HB   TRP  12          HB1       TRP  12  -9.072  -0.221  -3.860
  100    HD1  TRP  12           HD1      TRP  12  -9.593  -3.578  -2.175
  101    HE1  TRP  12           HE1      TRP  12 -12.117  -4.052  -2.004
  102    HE3  TRP  12           HE3      TRP  12 -11.337   0.241  -5.093
  103    HZ2  TRP  12           HZ2      TRP  12 -14.528  -2.954  -2.978
  104    HZ3  TRP  12           HZ3      TRP  12 -13.766   0.459  -5.423
  105    HH2  TRP  12           HH2      TRP  12 -15.327  -1.107  -4.387
  106    H    ASN  13           HN       ASN  13  -6.853  -1.509  -7.156
  107    HA   ASN  13           HA       ASN  13  -7.913   1.140  -7.849
  108   1HB   ASN  13          HB2       ASN  13  -5.276  -0.191  -8.176
  109   2HB   ASN  13          HB1       ASN  13  -5.769   0.921  -9.449
  110   1HD2  ASN  13          HD21      ASN  13  -3.953   2.196  -8.778
  111   2HD2  ASN  13          HD22      ASN  13  -4.099   3.256  -7.422
  Start of MODEL    9
    1   1H    GLU   1          HT1       GLU   1   1.523   6.926   5.306
    2   2H    GLU   1          HT2       GLU   1   1.795   6.060   6.763
    3   3H    GLU   1          HT3       GLU   1   2.015   5.285   5.248
    4    HA   GLU   1           HA       GLU   1   3.554   7.646   6.057
    5   1HB   GLU   1          HB2       GLU   1   5.334   5.939   6.640
    6   2HB   GLU   1          HB1       GLU   1   3.987   6.050   7.766
    7   1HG   GLU   1          HG2       GLU   1   3.597   4.079   5.647
    8   2HG   GLU   1          HG1       GLU   1   4.974   3.747   6.696
    9    H    LEU   2           HN       LEU   2   5.902   7.028   5.061
   10    HA   LEU   2           HA       LEU   2   5.374   6.531   2.210
   11   1HB   LEU   2          HB2       LEU   2   7.310   7.868   1.722
   12   2HB   LEU   2          HB1       LEU   2   6.255   8.761   2.801
   13    HG   LEU   2           HG       LEU   2   8.147   7.316   4.384
   14   1HD1  LEU   2          HD11      LEU   2  10.228   8.023   3.611
   15   2HD1  LEU   2          HD12      LEU   2   9.522   9.175   2.478
   16   3HD1  LEU   2          HD13      LEU   2   9.413   7.444   2.159
   17   1HD2  LEU   2          HD21      LEU   2   6.835   9.668   4.510
   18   2HD2  LEU   2          HD22      LEU   2   8.441  10.226   4.039
   19   3HD2  LEU   2          HD23      LEU   2   8.234   9.268   5.506
   20    H    LEU   3           HN       LEU   3   5.714   4.376   4.045
   21    HA   LEU   3           HA       LEU   3   8.419   3.396   3.674
   22   1HB   LEU   3          HB2       LEU   3   6.178   2.790   5.400
   23   2HB   LEU   3          HB1       LEU   3   6.830   1.327   4.688
   24    HG   LEU   3           HG       LEU   3   8.769   3.235   5.884
   25   1HD1  LEU   3          HD11      LEU   3   7.229   1.339   7.630
   26   2HD1  LEU   3          HD12      LEU   3   6.786   3.038   7.460
   27   3HD1  LEU   3          HD13      LEU   3   8.366   2.599   8.107
   28   1HD2  LEU   3          HD21      LEU   3   9.881   1.407   5.096
   29   2HD2  LEU   3          HD22      LEU   3   8.519   0.320   5.370
   30   3HD2  LEU   3          HD23      LEU   3   9.517   0.842   6.727
   31    H    GLU   4           HN       GLU   4   8.399   0.869   3.122
   32    HA   GLU   4           HA       GLU   4   7.410   0.740   0.398
   33   1HB   GLU   4          HB2       GLU   4   9.463  -0.655   1.995
   34   2HB   GLU   4          HB1       GLU   4   8.656  -1.641   0.784
   35   1HG   GLU   4          HG2       GLU   4   9.868   1.025   0.133
   36   2HG   GLU   4          HG1       GLU   4  10.794  -0.474   0.091
   37    H    LEU   5           HN       LEU   5   6.208  -0.113   3.395
   38    HA   LEU   5           HA       LEU   5   4.883  -2.535   2.535
   39   1HB   LEU   5          HB2       LEU   5   3.868  -2.498   4.792
   40   2HB   LEU   5          HB1       LEU   5   5.623  -2.494   4.801
   41    HG   LEU   5           HG       LEU   5   4.887   0.192   4.811
   42   1HD1  LEU   5          HD11      LEU   5   2.642  -0.268   5.432
   43   2HD1  LEU   5          HD12      LEU   5   3.477   0.278   6.886
   44   3HD1  LEU   5          HD13      LEU   5   3.152  -1.439   6.649
   45   1HD2  LEU   5          HD21      LEU   5   6.824  -0.578   5.934
   46   2HD2  LEU   5          HD22      LEU   5   5.884  -1.671   6.951
   47   3HD2  LEU   5          HD23      LEU   5   5.755   0.073   7.177
   48    H    ASP   6           HN       ASP   6   4.352   0.447   1.625
   49    HA   ASP   6           HA       ASP   6   1.514   0.646   2.185
   50   1HB   ASP   6          HB2       ASP   6   3.471   2.393   0.705
   51   2HB   ASP   6          HB1       ASP   6   1.737   2.701   0.667
   52    H    LYS   7           HN       LYS   7   2.809  -1.509   0.415
   53    HA   LYS   7           HA       LYS   7   1.800  -1.000  -2.213
   54   1HB   LYS   7          HB2       LYS   7   2.695  -3.595  -0.950
   55   2HB   LYS   7          HB1       LYS   7   2.409  -3.337  -2.665
   56   1HG   LYS   7          HG2       LYS   7   4.311  -1.478  -1.410
   57   2HG   LYS   7          HG1       LYS   7   4.825  -3.165  -1.486
   58   1HD   LYS   7          HD2       LYS   7   4.742  -3.212  -3.815
   59   2HD   LYS   7          HD1       LYS   7   3.692  -1.795  -3.899
   60   1HE   LYS   7          HE2       LYS   7   6.607  -1.850  -3.131
   61   2HE   LYS   7          HE1       LYS   7   5.917  -1.192  -4.614
   62   1HZ   LYS   7          HZ1       LYS   7   4.573   0.252  -2.922
   63   2HZ   LYS   7          HZ2       LYS   7   6.144   0.691  -3.372
   64   3HZ   LYS   7          HZ3       LYS   7   5.875  -0.093  -1.897
   65    H    TRP   8           HN       TRP   8   0.223  -1.666   0.612
   66    HA   TRP   8           HA       TRP   8  -1.697  -3.570  -0.300
   67   1HB   TRP   8          HB2       TRP   8  -1.230  -1.981   2.132
   68   2HB   TRP   8          HB1       TRP   8  -2.927  -2.304   1.788
   69    HD1  TRP   8           HD1      TRP   8  -0.625  -3.644   3.994
   70    HE1  TRP   8           HE1      TRP   8  -0.815  -6.192   4.306
   71    HE3  TRP   8           HE3      TRP   8  -3.324  -4.776  -0.198
   72    HZ2  TRP   8           HZ2      TRP   8  -1.958  -8.391   2.953
   73    HZ3  TRP   8           HZ3      TRP   8  -3.925  -7.125  -0.616
   74    HH2  TRP   8           HH2      TRP   8  -3.255  -8.894   0.928
   75    H    ALA   9           HN       ALA   9  -1.219  -0.364  -1.078
   76    HA   ALA   9           HA       ALA   9  -4.000   0.383  -1.315
   77   1HB   ALA   9          HB1       ALA   9  -1.418   1.738  -2.025
   78   2HB   ALA   9          HB2       ALA   9  -2.593   2.180  -0.786
   79   3HB   ALA   9          HB3       ALA   9  -2.982   2.405  -2.492
   80    H    SER  10           HN       SER  10  -2.191  -1.709  -3.033
   81    HA   SER  10           HA       SER  10  -2.737  -0.867  -5.708
   82   1HB   SER  10          HB2       SER  10  -1.733  -2.887  -6.397
   83   2HB   SER  10          HB1       SER  10  -0.880  -2.458  -4.915
   84    HG   SER  10           HG       SER  10  -2.381  -3.893  -3.825
   85    H    LEU  11           HN       LEU  11  -4.712  -2.086  -3.309
   86    HA   LEU  11           HA       LEU  11  -6.431  -3.641  -5.051
   87   1HB   LEU  11          HB2       LEU  11  -7.226  -2.818  -2.295
   88   2HB   LEU  11          HB1       LEU  11  -7.577  -4.305  -3.155
   89    HG   LEU  11           HG       LEU  11  -4.849  -3.583  -2.088
   90   1HD1  LEU  11          HD11      LEU  11  -5.306  -4.588  -0.120
   91   2HD1  LEU  11          HD12      LEU  11  -6.432  -5.737  -0.842
   92   3HD1  LEU  11          HD13      LEU  11  -6.953  -4.086  -0.502
   93   1HD2  LEU  11          HD21      LEU  11  -5.912  -6.260  -2.961
   94   2HD2  LEU  11          HD22      LEU  11  -4.247  -5.826  -2.574
   95   3HD2  LEU  11          HD23      LEU  11  -5.012  -5.180  -4.026
   96    H    TRP  12           HN       TRP  12  -5.954  -0.437  -4.668
   97    HA   TRP  12           HA       TRP  12  -8.777   0.316  -4.791
   98   1HB   TRP  12          HB2       TRP  12  -6.249   1.947  -4.514
   99   2HB   TRP  12          HB1       TRP  12  -7.844   2.664  -4.719
  100    HD1  TRP  12           HD1      TRP  12  -7.226  -0.380  -2.455
  101    HE1  TRP  12           HE1      TRP  12  -7.735   0.300  -0.025
  102    HE3  TRP  12           HE3      TRP  12  -7.994   4.627  -3.154
  103    HZ2  TRP  12           HZ2      TRP  12  -8.377   2.647   1.406
  104    HZ3  TRP  12           HZ3      TRP  12  -8.552   6.018  -1.203
  105    HH2  TRP  12           HH2      TRP  12  -8.740   5.047   1.029
  106    H    ASN  13           HN       ASN  13  -7.474  -1.114  -6.982
  107    HA   ASN  13           HA       ASN  13  -7.554   0.947  -9.082
  108   1HB   ASN  13          HB2       ASN  13  -5.868  -1.399  -8.655
  109   2HB   ASN  13          HB1       ASN  13  -6.569  -1.355 -10.270
  110   1HD2  ASN  13          HD21      ASN  13  -3.849  -1.137  -9.807
  111   2HD2  ASN  13          HD22      ASN  13  -3.330   0.451 -10.249
  Start of MODEL   10
    1   1H    GLU   1          HT1       GLU   1   5.193  10.117   7.226
    2   2H    GLU   1          HT2       GLU   1   5.906  10.578   5.734
    3   3H    GLU   1          HT3       GLU   1   6.734   9.507   6.789
    4    HA   GLU   1           HA       GLU   1   4.777   7.996   6.532
    5   1HB   GLU   1          HB2       GLU   1   3.710  10.157   5.281
    6   2HB   GLU   1          HB1       GLU   1   4.318   9.259   3.898
    7   1HG   GLU   1          HG2       GLU   1   3.036   7.345   5.433
    8   2HG   GLU   1          HG1       GLU   1   2.002   8.767   5.557
    9    H    LEU   2           HN       LEU   2   6.637   6.713   6.428
   10    HA   LEU   2           HA       LEU   2   7.752   6.401   3.720
   11   1HB   LEU   2          HB2       LEU   2   9.127   6.502   6.370
   12   2HB   LEU   2          HB1       LEU   2   9.801   5.496   5.101
   13    HG   LEU   2           HG       LEU   2  10.917   7.621   5.074
   14   1HD1  LEU   2          HD11      LEU   2   9.145   8.053   2.760
   15   2HD1  LEU   2          HD12      LEU   2   9.865   6.449   2.894
   16   3HD1  LEU   2          HD13      LEU   2  10.898   7.877   2.835
   17   1HD2  LEU   2          HD21      LEU   2   8.340   9.033   4.498
   18   2HD2  LEU   2          HD22      LEU   2   9.882   9.700   5.036
   19   3HD2  LEU   2          HD23      LEU   2   8.880   8.778   6.158
   20    H    LEU   3           HN       LEU   3   5.510   5.010   4.607
   21    HA   LEU   3           HA       LEU   3   6.344   2.407   5.549
   22   1HB   LEU   3          HB2       LEU   3   3.820   3.828   5.143
   23   2HB   LEU   3          HB1       LEU   3   3.739   2.134   4.696
   24    HG   LEU   3           HG       LEU   3   3.028   2.338   6.970
   25   1HD1  LEU   3          HD11      LEU   3   4.217   0.601   7.792
   26   2HD1  LEU   3          HD12      LEU   3   5.771   1.372   7.477
   27   3HD1  LEU   3          HD13      LEU   3   4.892   0.592   6.162
   28   1HD2  LEU   3          HD21      LEU   3   5.358   4.146   7.160
   29   2HD2  LEU   3          HD22      LEU   3   5.009   3.152   8.574
   30   3HD2  LEU   3          HD23      LEU   3   3.778   4.242   7.937
   31    H    GLU   4           HN       GLU   4   6.885   0.723   4.326
   32    HA   GLU   4           HA       GLU   4   6.815   1.002   1.441
   33   1HB   GLU   4          HB2       GLU   4   8.680  -0.034   3.079
   34   2HB   GLU   4          HB1       GLU   4   7.803  -1.504   2.677
   35   1HG   GLU   4          HG2       GLU   4   8.548  -1.530   0.559
   36   2HG   GLU   4          HG1       GLU   4   8.474   0.224   0.398
   37    H    LEU   5           HN       LEU   5   4.519   0.108   3.515
   38    HA   LEU   5           HA       LEU   5   3.672  -2.335   2.217
   39   1HB   LEU   5          HB2       LEU   5   1.796  -2.288   3.783
   40   2HB   LEU   5          HB1       LEU   5   3.346  -2.163   4.598
   41    HG   LEU   5           HG       LEU   5   2.732   0.448   4.251
   42   1HD1  LEU   5          HD11      LEU   5   0.301   0.486   5.178
   43   2HD1  LEU   5          HD12      LEU   5   0.180  -1.091   4.397
   44   3HD1  LEU   5          HD13      LEU   5   0.577   0.338   3.443
   45   1HD2  LEU   5          HD21      LEU   5   2.346   0.514   6.590
   46   2HD2  LEU   5          HD22      LEU   5   3.477  -0.810   6.306
   47   3HD2  LEU   5          HD23      LEU   5   1.774  -1.154   6.610
   48    H    ASP   6           HN       ASP   6   3.720   0.485   0.931
   49    HA   ASP   6           HA       ASP   6   1.023   1.148   0.385
   50   1HB   ASP   6          HB2       ASP   6   3.492   2.316  -0.097
   51   2HB   ASP   6          HB1       ASP   6   2.893   1.931  -1.707
   52    H    LYS   7           HN       LYS   7   2.900  -1.431  -0.666
   53    HA   LYS   7           HA       LYS   7   2.104  -1.730  -3.329
   54   1HB   LYS   7          HB2       LYS   7   2.689  -3.931  -1.347
   55   2HB   LYS   7          HB1       LYS   7   2.739  -4.066  -3.100
   56   1HG   LYS   7          HG2       LYS   7   4.726  -2.952  -3.271
   57   2HG   LYS   7          HG1       LYS   7   4.463  -2.030  -1.789
   58   1HD   LYS   7          HD2       LYS   7   6.219  -3.619  -1.396
   59   2HD   LYS   7          HD1       LYS   7   4.790  -4.135  -0.499
   60   1HE   LYS   7          HE2       LYS   7   4.339  -5.490  -2.731
   61   2HE   LYS   7          HE1       LYS   7   6.091  -5.351  -2.879
   62   1HZ   LYS   7          HZ1       LYS   7   4.506  -6.892  -0.998
   63   2HZ   LYS   7          HZ2       LYS   7   5.866  -6.129  -0.345
   64   3HZ   LYS   7          HZ3       LYS   7   6.041  -7.207  -1.636
   65    H    TRP   8           HN       TRP   8   0.331  -2.057  -0.450
   66    HA   TRP   8           HA       TRP   8  -1.687  -3.800  -1.587
   67   1HB   TRP   8          HB2       TRP   8  -0.844  -3.435   0.965
   68   2HB   TRP   8          HB1       TRP   8  -2.263  -2.392   0.947
   69    HD1  TRP   8           HD1      TRP   8  -1.251  -6.074   0.630
   70    HE1  TRP   8           HE1      TRP   8  -3.341  -7.532   0.989
   71    HE3  TRP   8           HE3      TRP   8  -4.796  -2.393   0.765
   72    HZ2  TRP   8           HZ2      TRP   8  -6.124  -7.170   1.289
   73    HZ3  TRP   8           HZ3      TRP   8  -7.149  -3.033   1.092
   74    HH2  TRP   8           HH2      TRP   8  -7.798  -5.373   1.348
   75    H    ALA   9           HN       ALA   9  -0.978  -0.590  -1.889
   76    HA   ALA   9           HA       ALA   9  -3.618   0.517  -1.701
   77   1HB   ALA   9          HB1       ALA   9  -1.778   1.979  -1.295
   78   2HB   ALA   9          HB2       ALA   9  -2.556   2.505  -2.788
   79   3HB   ALA   9          HB3       ALA   9  -1.050   1.590  -2.854
   80    H    SER  10           HN       SER  10  -1.640  -0.891  -4.215
   81    HA   SER  10           HA       SER  10  -3.219   0.025  -6.403
   82   1HB   SER  10          HB2       SER  10  -0.748  -1.056  -6.225
   83   2HB   SER  10          HB1       SER  10  -1.667  -2.473  -6.735
   84    HG   SER  10           HG       SER  10  -1.831   0.033  -8.045
   85    H    LEU  11           HN       LEU  11  -3.818  -2.262  -4.026
   86    HA   LEU  11           HA       LEU  11  -5.372  -4.048  -5.699
   87   1HB   LEU  11          HB2       LEU  11  -5.512  -4.130  -2.725
   88   2HB   LEU  11          HB1       LEU  11  -5.537  -5.449  -3.879
   89    HG   LEU  11           HG       LEU  11  -3.106  -3.848  -3.080
   90   1HD1  LEU  11          HD11      LEU  11  -4.179  -5.584  -1.477
   91   2HD1  LEU  11          HD12      LEU  11  -2.441  -5.634  -1.774
   92   3HD1  LEU  11          HD13      LEU  11  -3.510  -6.769  -2.598
   93   1HD2  LEU  11          HD21      LEU  11  -1.828  -5.262  -4.487
   94   2HD2  LEU  11          HD22      LEU  11  -3.173  -4.671  -5.462
   95   3HD2  LEU  11          HD23      LEU  11  -3.211  -6.308  -4.809
   96    H    TRP  12           HN       TRP  12  -5.906  -1.049  -4.498
   97    HA   TRP  12           HA       TRP  12  -8.724  -1.516  -3.850
   98   1HB   TRP  12          HB2       TRP  12  -6.737   0.536  -3.139
   99   2HB   TRP  12          HB1       TRP  12  -8.339   1.169  -3.501
  100    HD1  TRP  12           HD1      TRP  12  -7.868  -2.215  -1.761
  101    HE1  TRP  12           HE1      TRP  12  -8.818  -2.045   0.625
  102    HE3  TRP  12           HE3      TRP  12  -8.858   2.800  -1.635
  103    HZ2  TRP  12           HZ2      TRP  12  -9.850  -0.050   2.335
  104    HZ3  TRP  12           HZ3      TRP  12  -9.827   3.759   0.414
  105    HH2  TRP  12           HH2      TRP  12 -10.312   2.362   2.356
  106    H    ASN  13           HN       ASN  13  -7.686  -1.731  -6.571
  107    HA   ASN  13           HA       ASN  13  -8.642   0.634  -7.947
  108   1HB   ASN  13          HB2       ASN  13  -6.667  -0.965  -8.618
  109   2HB   ASN  13          HB1       ASN  13  -7.953  -1.918  -9.354
  110   1HD2  ASN  13          HD21      ASN  13  -5.706  -0.375 -10.513
  111   2HD2  ASN  13          HD22      ASN  13  -6.435   0.698 -11.654
  Start of MODEL   11
    1   1H    GLU   1          HT1       GLU   1   1.970   7.968   2.223
    2   2H    GLU   1          HT2       GLU   1   2.351   6.308   2.437
    3   3H    GLU   1          HT3       GLU   1   3.217   7.248   1.292
    4    HA   GLU   1           HA       GLU   1   3.887   8.679   3.212
    5   1HB   GLU   1          HB2       GLU   1   2.055   7.211   4.543
    6   2HB   GLU   1          HB1       GLU   1   3.500   6.280   4.913
    7   1HG   GLU   1          HG2       GLU   1   4.456   7.983   6.121
    8   2HG   GLU   1          HG1       GLU   1   3.536   9.235   5.288
    9    H    LEU   2           HN       LEU   2   5.804   7.731   4.679
   10    HA   LEU   2           HA       LEU   2   7.742   6.778   2.906
   11   1HB   LEU   2          HB2       LEU   2   7.571   7.209   5.833
   12   2HB   LEU   2          HB1       LEU   2   8.850   6.150   5.271
   13    HG   LEU   2           HG       LEU   2   8.481   8.892   4.100
   14   1HD1  LEU   2          HD11      LEU   2   8.748   9.504   6.312
   15   2HD1  LEU   2          HD12      LEU   2  10.413   9.449   5.734
   16   3HD1  LEU   2          HD13      LEU   2   9.765   8.112   6.683
   17   1HD2  LEU   2          HD21      LEU   2  11.121   7.623   4.444
   18   2HD2  LEU   2          HD22      LEU   2  10.469   8.545   3.089
   19   3HD2  LEU   2          HD23      LEU   2  10.031   6.849   3.293
   20    H    LEU   3           HN       LEU   3   5.409   5.083   4.805
   21    HA   LEU   3           HA       LEU   3   6.613   2.613   5.175
   22   1HB   LEU   3          HB2       LEU   3   3.765   3.439   4.724
   23   2HB   LEU   3          HB1       LEU   3   4.185   1.746   4.896
   24    HG   LEU   3           HG       LEU   3   5.346   2.539   7.103
   25   1HD1  LEU   3          HD11      LEU   3   5.204   4.819   7.155
   26   2HD1  LEU   3          HD12      LEU   3   3.731   4.399   8.029
   27   3HD1  LEU   3          HD13      LEU   3   3.647   4.853   6.327
   28   1HD2  LEU   3          HD21      LEU   3   3.668   1.056   7.488
   29   2HD2  LEU   3          HD22      LEU   3   2.503   1.947   6.509
   30   3HD2  LEU   3          HD23      LEU   3   2.898   2.504   8.135
   31    H    GLU   4           HN       GLU   4   7.495   1.266   3.769
   32    HA   GLU   4           HA       GLU   4   6.881   1.448   0.951
   33   1HB   GLU   4          HB2       GLU   4   9.197   1.051   2.068
   34   2HB   GLU   4          HB1       GLU   4   8.679  -0.626   2.160
   35   1HG   GLU   4          HG2       GLU   4   8.871  -0.955  -0.064
   36   2HG   GLU   4          HG1       GLU   4   8.389   0.693  -0.462
   37    H    LEU   5           HN       LEU   5   5.809  -0.416   3.605
   38    HA   LEU   5           HA       LEU   5   5.033  -2.700   2.019
   39   1HB   LEU   5          HB2       LEU   5   3.963  -3.457   4.162
   40   2HB   LEU   5          HB1       LEU   5   5.703  -3.233   4.210
   41    HG   LEU   5           HG       LEU   5   4.451  -0.789   4.951
   42   1HD1  LEU   5          HD11      LEU   5   3.523  -3.180   6.536
   43   2HD1  LEU   5          HD12      LEU   5   2.506  -2.126   5.554
   44   3HD1  LEU   5          HD13      LEU   5   3.303  -1.491   6.993
   45   1HD2  LEU   5          HD21      LEU   5   6.730  -1.935   5.533
   46   2HD2  LEU   5          HD22      LEU   5   5.819  -2.589   6.894
   47   3HD2  LEU   5          HD23      LEU   5   5.960  -0.843   6.684
   48    H    ASP   6           HN       ASP   6   3.848   0.258   2.023
   49    HA   ASP   6           HA       ASP   6   1.035  -0.357   2.369
   50   1HB   ASP   6          HB2       ASP   6   2.619   2.125   1.861
   51   2HB   ASP   6          HB1       ASP   6   0.907   2.114   1.450
   52    H    LYS   7           HN       LYS   7   2.954  -1.323   0.068
   53    HA   LYS   7           HA       LYS   7   1.724  -0.275  -2.294
   54   1HB   LYS   7          HB2       LYS   7   3.477  -2.708  -1.929
   55   2HB   LYS   7          HB1       LYS   7   3.036  -1.991  -3.472
   56   1HG   LYS   7          HG2       LYS   7   4.174   0.094  -2.779
   57   2HG   LYS   7          HG1       LYS   7   4.698  -0.724  -1.306
   58   1HD   LYS   7          HD2       LYS   7   6.344  -1.806  -2.369
   59   2HD   LYS   7          HD1       LYS   7   5.298  -2.240  -3.722
   60   1HE   LYS   7          HE2       LYS   7   6.485   0.503  -3.346
   61   2HE   LYS   7          HE1       LYS   7   7.255  -0.768  -4.296
   62   1HZ   LYS   7          HZ1       LYS   7   5.684  -0.631  -5.925
   63   2HZ   LYS   7          HZ2       LYS   7   5.683   0.980  -5.408
   64   3HZ   LYS   7          HZ3       LYS   7   4.468  -0.076  -4.887
   65    H    TRP   8           HN       TRP   8   0.597  -2.384  -0.004
   66    HA   TRP   8           HA       TRP   8  -0.722  -4.240  -1.778
   67   1HB   TRP   8          HB2       TRP   8   0.032  -4.931   0.473
   68   2HB   TRP   8          HB1       TRP   8  -1.109  -3.798   1.189
   69    HD1  TRP   8           HD1      TRP   8  -3.038  -5.153   2.174
   70    HE1  TRP   8           HE1      TRP   8  -4.490  -7.132   1.399
   71    HE3  TRP   8           HE3      TRP   8  -0.724  -6.169  -2.272
   72    HZ2  TRP   8           HZ2      TRP   8  -4.636  -8.890  -0.805
   73    HZ3  TRP   8           HZ3      TRP   8  -1.582  -8.016  -3.653
   74    HH2  TRP   8           HH2      TRP   8  -3.497  -9.347  -2.933
   75    H    ALA   9           HN       ALA   9  -1.277  -1.079  -1.129
   76    HA   ALA   9           HA       ALA   9  -4.160  -1.223  -0.857
   77   1HB   ALA   9          HB1       ALA   9  -2.902   1.370  -1.462
   78   2HB   ALA   9          HB2       ALA   9  -2.375   0.586   0.026
   79   3HB   ALA   9          HB3       ALA   9  -4.084   0.939  -0.226
   80    H    SER  10           HN       SER  10  -2.363  -1.937  -3.375
   81    HA   SER  10           HA       SER  10  -3.592  -0.231  -5.370
   82   1HB   SER  10          HB2       SER  10  -2.293  -1.755  -6.959
   83   2HB   SER  10          HB1       SER  10  -1.337  -0.772  -5.850
   84    HG   SER  10           HG       SER  10  -2.095  -3.435  -5.265
   85    H    LEU  11           HN       LEU  11  -4.960  -2.484  -3.638
   86    HA   LEU  11           HA       LEU  11  -6.008  -4.213  -5.694
   87   1HB   LEU  11          HB2       LEU  11  -7.223  -5.302  -3.947
   88   2HB   LEU  11          HB1       LEU  11  -5.584  -5.012  -3.393
   89    HG   LEU  11           HG       LEU  11  -6.975  -2.769  -2.554
   90   1HD1  LEU  11          HD11      LEU  11  -8.955  -3.476  -1.483
   91   2HD1  LEU  11          HD12      LEU  11  -8.621  -5.174  -1.823
   92   3HD1  LEU  11          HD13      LEU  11  -9.055  -4.080  -3.136
   93   1HD2  LEU  11          HD21      LEU  11  -5.242  -4.477  -1.477
   94   2HD2  LEU  11          HD22      LEU  11  -6.708  -5.048  -0.680
   95   3HD2  LEU  11          HD23      LEU  11  -6.204  -3.368  -0.502
   96    H    TRP  12           HN       TRP  12  -6.610  -1.094  -5.012
   97    HA   TRP  12           HA       TRP  12  -9.124  -1.107  -6.365
   98   1HB   TRP  12          HB2       TRP  12  -9.678  -1.674  -3.922
   99   2HB   TRP  12          HB1       TRP  12  -9.217  -0.014  -3.558
  100    HD1  TRP  12           HD1      TRP  12 -11.600  -1.698  -6.138
  101    HE1  TRP  12           HE1      TRP  12 -13.767  -0.313  -6.220
  102    HE3  TRP  12           HE3      TRP  12 -10.371   1.933  -2.754
  103    HZ2  TRP  12           HZ2      TRP  12 -14.818   2.011  -5.010
  104    HZ3  TRP  12           HZ3      TRP  12 -12.014   3.701  -2.274
  105    HH2  TRP  12           HH2      TRP  12 -14.190   3.738  -3.379
  106    H    ASN  13           HN       ASN  13  -6.492   0.068  -6.640
  107    HA   ASN  13           HA       ASN  13  -5.525   2.026  -7.272
  108   1HB   ASN  13          HB2       ASN  13  -7.883   2.114  -8.433
  109   2HB   ASN  13          HB1       ASN  13  -8.184   3.403  -7.271
  110   1HD2  ASN  13          HD21      ASN  13  -6.737   2.544 -10.211
  111   2HD2  ASN  13          HD22      ASN  13  -5.962   4.051 -10.547
  Start of MODEL   12
    1   1H    GLU   1          HT1       GLU   1   5.133   6.867   5.484
    2   2H    GLU   1          HT2       GLU   1   3.456   6.524   5.372
    3   3H    GLU   1          HT3       GLU   1   3.989   7.974   6.120
    4    HA   GLU   1           HA       GLU   1   3.087   8.112   3.801
    5   1HB   GLU   1          HB2       GLU   1   4.974   9.738   3.219
    6   2HB   GLU   1          HB1       GLU   1   4.140   9.996   4.745
    7   1HG   GLU   1          HG2       GLU   1   6.045   8.612   5.776
    8   2HG   GLU   1          HG1       GLU   1   6.890   8.924   4.261
    9    H    LEU   2           HN       LEU   2   6.465   6.985   4.076
   10    HA   LEU   2           HA       LEU   2   6.246   5.946   1.332
   11   1HB   LEU   2          HB2       LEU   2   8.721   6.602   2.932
   12   2HB   LEU   2          HB1       LEU   2   8.701   6.000   1.285
   13    HG   LEU   2           HG       LEU   2   7.106   8.415   1.570
   14   1HD1  LEU   2          HD11      LEU   2   8.649   9.960   2.260
   15   2HD1  LEU   2          HD12      LEU   2  10.023   8.923   1.876
   16   3HD1  LEU   2          HD13      LEU   2   9.053   8.605   3.314
   17   1HD2  LEU   2          HD21      LEU   2   8.236   9.049  -0.409
   18   2HD2  LEU   2          HD22      LEU   2   7.967   7.311  -0.530
   19   3HD2  LEU   2          HD23      LEU   2   9.561   7.928  -0.098
   20    H    LEU   3           HN       LEU   3   5.235   4.597   3.704
   21    HA   LEU   3           HA       LEU   3   7.012   2.554   4.529
   22   1HB   LEU   3          HB2       LEU   3   4.083   3.043   4.725
   23   2HB   LEU   3          HB1       LEU   3   4.657   1.411   5.008
   24    HG   LEU   3           HG       LEU   3   6.055   3.570   6.479
   25   1HD1  LEU   3          HD11      LEU   3   3.181   2.846   6.910
   26   2HD1  LEU   3          HD12      LEU   3   3.938   4.439   6.887
   27   3HD1  LEU   3          HD13      LEU   3   4.206   3.355   8.253
   28   1HD2  LEU   3          HD21      LEU   3   6.607   1.898   7.877
   29   2HD2  LEU   3          HD22      LEU   3   6.145   0.866   6.524
   30   3HD2  LEU   3          HD23      LEU   3   4.996   1.181   7.825
   31    H    GLU   4           HN       GLU   4   6.731   0.235   4.088
   32    HA   GLU   4           HA       GLU   4   6.511  -0.209   1.230
   33   1HB   GLU   4          HB2       GLU   4   8.412  -1.141   2.496
   34   2HB   GLU   4          HB1       GLU   4   7.294  -2.114   3.442
   35   1HG   GLU   4          HG2       GLU   4   7.426  -3.719   1.935
   36   2HG   GLU   4          HG1       GLU   4   6.753  -2.633   0.721
   37    H    LEU   5           HN       LEU   5   4.590  -0.666   4.039
   38    HA   LEU   5           HA       LEU   5   3.004  -2.799   2.954
   39   1HB   LEU   5          HB2       LEU   5   1.712  -2.672   4.943
   40   2HB   LEU   5          HB1       LEU   5   3.401  -2.506   5.388
   41    HG   LEU   5           HG       LEU   5   2.201   0.066   4.894
   42   1HD1  LEU   5          HD11      LEU   5   1.046  -1.270   7.298
   43   2HD1  LEU   5          HD12      LEU   5   0.239  -1.424   5.738
   44   3HD1  LEU   5          HD13      LEU   5   0.498   0.172   6.442
   45   1HD2  LEU   5          HD21      LEU   5   3.205  -0.932   7.529
   46   2HD2  LEU   5          HD22      LEU   5   3.343   0.676   6.818
   47   3HD2  LEU   5          HD23      LEU   5   4.319  -0.653   6.191
   48    H    ASP   6           HN       ASP   6   3.203   0.322   2.112
   49    HA   ASP   6           HA       ASP   6   0.366   0.863   1.864
   50   1HB   ASP   6          HB2       ASP   6   2.822   2.426   1.067
   51   2HB   ASP   6          HB1       ASP   6   1.182   2.966   0.721
   52    H    LYS   7           HN       LYS   7   2.560  -0.931   0.139
   53    HA   LYS   7           HA       LYS   7   1.869  -0.216  -2.520
   54   1HB   LYS   7          HB2       LYS   7   2.961  -2.854  -1.541
   55   2HB   LYS   7          HB1       LYS   7   3.030  -2.231  -3.184
   56   1HG   LYS   7          HG2       LYS   7   4.216  -0.276  -1.554
   57   2HG   LYS   7          HG1       LYS   7   4.852  -1.831  -1.014
   58   1HD   LYS   7          HD2       LYS   7   5.507  -2.370  -3.300
   59   2HD   LYS   7          HD1       LYS   7   4.832  -0.841  -3.866
   60   1HE   LYS   7          HE2       LYS   7   6.432   0.347  -2.382
   61   2HE   LYS   7          HE1       LYS   7   7.156  -1.210  -1.980
   62   1HZ   LYS   7          HZ1       LYS   7   7.305  -1.361  -4.590
   63   2HZ   LYS   7          HZ2       LYS   7   8.500  -0.582  -3.681
   64   3HZ   LYS   7          HZ3       LYS   7   7.307   0.327  -4.463
   65    H    TRP   8           HN       TRP   8   0.122  -1.778  -0.130
   66    HA   TRP   8           HA       TRP   8  -1.348  -3.554  -1.869
   67   1HB   TRP   8          HB2       TRP   8  -1.663  -2.786   1.033
   68   2HB   TRP   8          HB1       TRP   8  -2.786  -3.861   0.205
   69    HD1  TRP   8           HD1      TRP   8   0.144  -4.034   2.327
   70    HE1  TRP   8           HE1      TRP   8   1.327  -6.311   2.131
   71    HE3  TRP   8           HE3      TRP   8  -2.099  -5.751  -1.934
   72    HZ2  TRP   8           HZ2      TRP   8   1.312  -8.540   0.399
   73    HZ3  TRP   8           HZ3      TRP   8  -1.458  -7.965  -2.795
   74    HH2  TRP   8           HH2      TRP   8   0.213  -9.330  -1.651
   75    H    ALA   9           HN       ALA   9  -1.373  -0.285  -1.483
   76    HA   ALA   9           HA       ALA   9  -4.242   0.108  -1.540
   77   1HB   ALA   9          HB1       ALA   9  -2.449   2.357  -2.203
   78   2HB   ALA   9          HB2       ALA   9  -2.256   1.651  -0.598
   79   3HB   ALA   9          HB3       ALA   9  -3.823   2.285  -1.100
   80    H    SER  10           HN       SER  10  -1.528   0.161  -3.778
   81    HA   SER  10           HA       SER  10  -3.002   1.228  -5.968
   82   1HB   SER  10          HB2       SER  10  -0.950   0.038  -7.214
   83   2HB   SER  10          HB1       SER  10  -0.775   1.572  -6.361
   84    HG   SER  10           HG       SER  10   0.717  -0.344  -5.901
   85    H    LEU  11           HN       LEU  11  -2.523  -1.924  -4.668
   86    HA   LEU  11           HA       LEU  11  -3.546  -3.267  -7.027
   87   1HB   LEU  11          HB2       LEU  11  -3.134  -4.603  -4.380
   88   2HB   LEU  11          HB1       LEU  11  -2.999  -5.282  -5.991
   89    HG   LEU  11           HG       LEU  11  -1.061  -3.197  -5.042
   90   1HD1  LEU  11          HD11      LEU  11  -1.264  -6.020  -4.205
   91   2HD1  LEU  11          HD12      LEU  11  -0.531  -4.640  -3.388
   92   3HD1  LEU  11          HD13      LEU  11   0.335  -5.457  -4.689
   93   1HD2  LEU  11          HD21      LEU  11   0.134  -3.727  -6.882
   94   2HD2  LEU  11          HD22      LEU  11  -1.433  -4.271  -7.479
   95   3HD2  LEU  11          HD23      LEU  11  -0.295  -5.436  -6.802
   96    H    TRP  12           HN       TRP  12  -4.920  -1.584  -4.561
   97    HA   TRP  12           HA       TRP  12  -7.499  -2.843  -5.015
   98   1HB   TRP  12          HB2       TRP  12  -6.632  -4.025  -3.045
   99   2HB   TRP  12          HB1       TRP  12  -6.360  -2.487  -2.233
  100    HD1  TRP  12           HD1      TRP  12  -9.469  -4.081  -3.957
  101    HE1  TRP  12           HE1      TRP  12 -11.480  -3.766  -2.382
  102    HE3  TRP  12           HE3      TRP  12  -7.123  -1.646  -0.122
  103    HZ2  TRP  12           HZ2      TRP  12 -12.003  -2.634   0.151
  104    HZ3  TRP  12           HZ3      TRP  12  -8.450  -0.982   1.840
  105    HH2  TRP  12           HH2      TRP  12 -10.839  -1.465   1.973
  106    H    ASN  13           HN       ASN  13  -7.446  -0.703  -6.178
  107    HA   ASN  13           HA       ASN  13  -7.645   1.669  -4.548
  108   1HB   ASN  13          HB2       ASN  13  -8.299   1.362  -7.483
  109   2HB   ASN  13          HB1       ASN  13  -7.956   2.859  -6.622
  110   1HD2  ASN  13          HD21      ASN  13  -5.811   3.193  -5.827
  111   2HD2  ASN  13          HD22      ASN  13  -4.470   2.438  -6.612
  Start of MODEL   13
    1   1H    GLU   1          HT1       GLU   1   2.254   8.802   4.856
    2   2H    GLU   1          HT2       GLU   1   2.744   7.671   3.662
    3   3H    GLU   1          HT3       GLU   1   3.756   9.000   4.056
    4    HA   GLU   1           HA       GLU   1   3.808   8.091   6.361
    5   1HB   GLU   1          HB2       GLU   1   3.061   5.521   4.991
    6   2HB   GLU   1          HB1       GLU   1   3.141   5.864   6.713
    7   1HG   GLU   1          HG2       GLU   1   1.111   7.083   4.861
    8   2HG   GLU   1          HG1       GLU   1   0.842   5.605   5.785
    9    H    LEU   2           HN       LEU   2   4.618   7.269   3.096
   10    HA   LEU   2           HA       LEU   2   6.564   6.660   2.090
   11   1HB   LEU   2          HB2       LEU   2   7.651   7.680   4.707
   12   2HB   LEU   2          HB1       LEU   2   8.687   7.122   3.408
   13    HG   LEU   2           HG       LEU   2   7.320   8.885   1.996
   14   1HD1  LEU   2          HD11      LEU   2   6.773   9.599   4.828
   15   2HD1  LEU   2          HD12      LEU   2   5.758   9.780   3.398
   16   3HD1  LEU   2          HD13      LEU   2   7.089  10.900   3.681
   17   1HD2  LEU   2          HD21      LEU   2   9.825   8.758   2.966
   18   2HD2  LEU   2          HD22      LEU   2   9.249  10.205   3.794
   19   3HD2  LEU   2          HD23      LEU   2   9.208  10.122   2.032
   20    H    LEU   3           HN       LEU   3   5.017   4.733   3.663
   21    HA   LEU   3           HA       LEU   3   6.938   2.957   4.875
   22   1HB   LEU   3          HB2       LEU   3   4.260   3.349   5.210
   23   2HB   LEU   3          HB1       LEU   3   4.272   1.900   4.224
   24    HG   LEU   3           HG       LEU   3   5.795   0.844   5.904
   25   1HD1  LEU   3          HD11      LEU   3   5.301   3.452   7.292
   26   2HD1  LEU   3          HD12      LEU   3   6.826   2.611   7.016
   27   3HD1  LEU   3          HD13      LEU   3   5.675   1.987   8.198
   28   1HD2  LEU   3          HD21      LEU   3   3.245   1.782   7.183
   29   2HD2  LEU   3          HD22      LEU   3   4.058   0.227   7.360
   30   3HD2  LEU   3          HD23      LEU   3   3.260   0.637   5.842
   31    H    GLU   4           HN       GLU   4   7.425   0.839   4.148
   32    HA   GLU   4           HA       GLU   4   7.597   0.653   1.258
   33   1HB   GLU   4          HB2       GLU   4   9.140  -0.280   3.468
   34   2HB   GLU   4          HB1       GLU   4   8.642  -1.677   2.525
   35   1HG   GLU   4          HG2       GLU   4  10.821  -0.783   1.836
   36   2HG   GLU   4          HG1       GLU   4   9.628  -0.751   0.538
   37    H    LEU   5           HN       LEU   5   5.824  -0.786   3.880
   38    HA   LEU   5           HA       LEU   5   4.823  -2.954   2.246
   39   1HB   LEU   5          HB2       LEU   5   3.470  -3.492   4.279
   40   2HB   LEU   5          HB1       LEU   5   5.210  -3.526   4.505
   41    HG   LEU   5           HG       LEU   5   4.308  -0.908   5.099
   42   1HD1  LEU   5          HD11      LEU   5   2.114  -1.630   5.535
   43   2HD1  LEU   5          HD12      LEU   5   2.895  -1.538   7.113
   44   3HD1  LEU   5          HD13      LEU   5   2.670  -3.103   6.330
   45   1HD2  LEU   5          HD21      LEU   5   6.307  -2.130   5.967
   46   2HD2  LEU   5          HD22      LEU   5   5.219  -3.055   7.003
   47   3HD2  LEU   5          HD23      LEU   5   5.357  -1.308   7.205
   48    H    ASP   6           HN       ASP   6   4.194   0.113   1.965
   49    HA   ASP   6           HA       ASP   6   1.304   0.084   2.188
   50   1HB   ASP   6          HB2       ASP   6   3.375   2.144   1.587
   51   2HB   ASP   6          HB1       ASP   6   1.733   2.426   1.017
   52    H    LYS   7           HN       LYS   7   3.079  -1.468   0.108
   53    HA   LYS   7           HA       LYS   7   2.196  -0.453  -2.410
   54   1HB   LYS   7          HB2       LYS   7   4.306  -1.730  -2.089
   55   2HB   LYS   7          HB1       LYS   7   3.348  -3.165  -1.748
   56   1HG   LYS   7          HG2       LYS   7   2.715  -3.433  -3.918
   57   2HG   LYS   7          HG1       LYS   7   2.851  -1.713  -4.284
   58   1HD   LYS   7          HD2       LYS   7   4.762  -2.287  -5.314
   59   2HD   LYS   7          HD1       LYS   7   5.433  -2.359  -3.683
   60   1HE   LYS   7          HE2       LYS   7   5.034  -4.727  -3.566
   61   2HE   LYS   7          HE1       LYS   7   4.175  -4.700  -5.105
   62   1HZ   LYS   7          HZ1       LYS   7   7.028  -4.681  -4.577
   63   2HZ   LYS   7          HZ2       LYS   7   6.516  -3.659  -5.823
   64   3HZ   LYS   7          HZ3       LYS   7   6.173  -5.314  -5.893
   65    H    TRP   8           HN       TRP   8   0.522  -1.978  -0.015
   66    HA   TRP   8           HA       TRP   8  -1.002  -3.837  -1.570
   67   1HB   TRP   8          HB2       TRP   8  -1.232  -2.731   1.211
   68   2HB   TRP   8          HB1       TRP   8  -2.541  -3.683   0.519
   69    HD1  TRP   8           HD1      TRP   8   0.966  -4.739  -0.423
   70    HE1  TRP   8           HE1      TRP   8   1.537  -6.948   0.768
   71    HE3  TRP   8           HE3      TRP   8  -3.034  -5.009   2.752
   72    HZ2  TRP   8           HZ2      TRP   8   0.440  -8.586   2.786
   73    HZ3  TRP   8           HZ3      TRP   8  -3.197  -6.930   4.281
   74    HH2  TRP   8           HH2      TRP   8  -1.495  -8.681   4.295
   75    H    ALA   9           HN       ALA   9  -0.965  -0.523  -1.543
   76    HA   ALA   9           HA       ALA   9  -3.694   0.157  -1.545
   77   1HB   ALA   9          HB1       ALA   9  -1.551   1.645  -1.453
   78   2HB   ALA   9          HB2       ALA   9  -3.033   2.267  -2.180
   79   3HB   ALA   9          HB3       ALA   9  -1.731   1.667  -3.208
   80    H    SER  10           HN       SER  10  -1.833  -1.553  -3.833
   81    HA   SER  10           HA       SER  10  -3.014  -0.798  -6.244
   82   1HB   SER  10          HB2       SER  10  -1.050  -2.525  -5.583
   83   2HB   SER  10          HB1       SER  10  -2.350  -3.666  -5.923
   84    HG   SER  10           HG       SER  10  -1.297  -1.680  -7.651
   85    H    LEU  11           HN       LEU  11  -4.356  -2.481  -3.609
   86    HA   LEU  11           HA       LEU  11  -6.358  -3.893  -5.122
   87   1HB   LEU  11          HB2       LEU  11  -6.539  -3.362  -2.180
   88   2HB   LEU  11          HB1       LEU  11  -7.126  -4.743  -3.087
   89    HG   LEU  11           HG       LEU  11  -4.183  -4.218  -2.843
   90   1HD1  LEU  11          HD11      LEU  11  -5.985  -5.556  -0.842
   91   2HD1  LEU  11          HD12      LEU  11  -4.853  -4.231  -0.574
   92   3HD1  LEU  11          HD13      LEU  11  -4.248  -5.850  -0.924
   93   1HD2  LEU  11          HD21      LEU  11  -5.129  -5.875  -4.481
   94   2HD2  LEU  11          HD22      LEU  11  -5.702  -6.804  -3.096
   95   3HD2  LEU  11          HD23      LEU  11  -3.974  -6.534  -3.321
   96    H    TRP  12           HN       TRP  12  -5.951  -0.713  -4.397
   97    HA   TRP  12           HA       TRP  12  -8.845  -0.203  -4.230
   98   1HB   TRP  12          HB2       TRP  12  -6.888   0.748  -2.577
   99   2HB   TRP  12          HB1       TRP  12  -7.023   2.060  -3.743
  100    HD1  TRP  12           HD1      TRP  12  -8.924   0.346  -0.927
  101    HE1  TRP  12           HE1      TRP  12 -10.981   1.769  -0.320
  102    HE3  TRP  12           HE3      TRP  12  -8.736   3.727  -4.759
  103    HZ2  TRP  12           HZ2      TRP  12 -12.344   4.025  -1.331
  104    HZ3  TRP  12           HZ3      TRP  12 -10.454   5.485  -4.866
  105    HH2  TRP  12           HH2      TRP  12 -12.220   5.630  -3.187
  106    H    ASN  13           HN       ASN  13  -8.149  -0.867  -6.684
  107    HA   ASN  13           HA       ASN  13  -7.995   1.699  -8.122
  108   1HB   ASN  13          HB2       ASN  13  -6.734  -0.946  -8.854
  109   2HB   ASN  13          HB1       ASN  13  -6.918   0.380  -9.998
  110   1HD2  ASN  13          HD21      ASN  13  -5.217   1.624 -10.202
  111   2HD2  ASN  13          HD22      ASN  13  -4.009   1.913  -9.001
  Start of MODEL   14
    1   1H    GLU   1          HT1       GLU   1   7.943   9.498   6.225
    2   2H    GLU   1          HT2       GLU   1   6.805  10.014   7.402
    3   3H    GLU   1          HT3       GLU   1   6.268   9.488   5.859
    4    HA   GLU   1           HA       GLU   1   7.374   7.927   8.075
    5   1HB   GLU   1          HB2       GLU   1   4.833   8.128   6.518
    6   2HB   GLU   1          HB1       GLU   1   5.278   6.564   7.187
    7   1HG   GLU   1          HG2       GLU   1   5.531   8.721   9.116
    8   2HG   GLU   1          HG1       GLU   1   3.895   8.557   8.478
    9    H    LEU   2           HN       LEU   2   6.806   7.973   4.585
   10    HA   LEU   2           HA       LEU   2   7.625   6.706   2.883
   11   1HB   LEU   2          HB2       LEU   2   9.755   7.302   4.376
   12   2HB   LEU   2          HB1       LEU   2   9.774   5.561   4.585
   13    HG   LEU   2           HG       LEU   2   9.612   6.706   1.826
   14   1HD1  LEU   2          HD11      LEU   2  11.459   7.877   2.988
   15   2HD1  LEU   2          HD12      LEU   2  12.006   6.835   1.675
   16   3HD1  LEU   2          HD13      LEU   2  12.181   6.310   3.349
   17   1HD2  LEU   2          HD21      LEU   2  10.497   4.154   3.109
   18   2HD2  LEU   2          HD22      LEU   2  11.106   4.608   1.517
   19   3HD2  LEU   2          HD23      LEU   2   9.373   4.406   1.774
   20    H    LEU   3           HN       LEU   3   5.659   5.571   4.672
   21    HA   LEU   3           HA       LEU   3   6.182   2.920   5.382
   22   1HB   LEU   3          HB2       LEU   3   3.655   2.650   5.085
   23   2HB   LEU   3          HB1       LEU   3   4.224   3.815   6.265
   24    HG   LEU   3           HG       LEU   3   3.913   5.191   3.797
   25   1HD1  LEU   3          HD11      LEU   3   1.498   4.870   3.429
   26   2HD1  LEU   3          HD12      LEU   3   1.527   3.513   4.555
   27   3HD1  LEU   3          HD13      LEU   3   2.442   3.429   3.050
   28   1HD2  LEU   3          HD21      LEU   3   3.595   5.769   6.369
   29   2HD2  LEU   3          HD22      LEU   3   1.909   5.445   5.968
   30   3HD2  LEU   3          HD23      LEU   3   2.800   6.691   5.093
   31    H    GLU   4           HN       GLU   4   6.778   1.286   4.137
   32    HA   GLU   4           HA       GLU   4   6.255   1.341   1.285
   33   1HB   GLU   4          HB2       GLU   4   8.454   0.632   2.451
   34   2HB   GLU   4          HB1       GLU   4   7.631  -0.894   2.743
   35   1HG   GLU   4          HG2       GLU   4   7.156  -0.733   0.155
   36   2HG   GLU   4          HG1       GLU   4   8.589   0.294   0.198
   37    H    LEU   5           HN       LEU   5   4.360   0.510   3.752
   38    HA   LEU   5           HA       LEU   5   3.456  -2.059   2.780
   39   1HB   LEU   5          HB2       LEU   5   1.967  -2.085   4.644
   40   2HB   LEU   5          HB1       LEU   5   3.545  -1.551   5.198
   41    HG   LEU   5           HG       LEU   5   2.002   0.724   4.443
   42   1HD1  LEU   5          HD11      LEU   5   0.636  -1.224   6.279
   43   2HD1  LEU   5          HD12      LEU   5  -0.011  -0.444   4.836
   44   3HD1  LEU   5          HD13      LEU   5   0.290   0.505   6.292
   45   1HD2  LEU   5          HD21      LEU   5   2.393   1.322   6.832
   46   2HD2  LEU   5          HD22      LEU   5   3.852   0.861   5.955
   47   3HD2  LEU   5          HD23      LEU   5   3.092  -0.281   7.065
   48    H    ASP   6           HN       ASP   6   3.094   0.838   1.516
   49    HA   ASP   6           HA       ASP   6   0.220   0.838   1.140
   50   1HB   ASP   6          HB2       ASP   6   2.436   2.714   0.626
   51   2HB   ASP   6          HB1       ASP   6   1.140   2.751  -0.566
   52    H    LYS   7           HN       LYS   7   2.830  -0.695  -0.287
   53    HA   LYS   7           HA       LYS   7   2.211  -0.576  -3.012
   54   1HB   LYS   7          HB2       LYS   7   4.274  -1.575  -1.732
   55   2HB   LYS   7          HB1       LYS   7   3.340  -3.063  -1.804
   56   1HG   LYS   7          HG2       LYS   7   3.561  -3.261  -4.060
   57   2HG   LYS   7          HG1       LYS   7   3.694  -1.519  -4.310
   58   1HD   LYS   7          HD2       LYS   7   5.952  -1.511  -3.507
   59   2HD   LYS   7          HD1       LYS   7   5.829  -3.198  -3.002
   60   1HE   LYS   7          HE2       LYS   7   7.007  -3.276  -5.023
   61   2HE   LYS   7          HE1       LYS   7   5.356  -3.716  -5.457
   62   1HZ   LYS   7          HZ1       LYS   7   6.769  -1.873  -6.744
   63   2HZ   LYS   7          HZ2       LYS   7   5.998  -0.887  -5.607
   64   3HZ   LYS   7          HZ3       LYS   7   5.080  -1.847  -6.654
   65    H    TRP   8           HN       TRP   8   0.642  -2.158  -0.444
   66    HA   TRP   8           HA       TRP   8  -0.686  -4.112  -2.125
   67   1HB   TRP   8          HB2       TRP   8  -0.513  -3.568   0.784
   68   2HB   TRP   8          HB1       TRP   8  -2.005  -4.309   0.213
   69    HD1  TRP   8           HD1      TRP   8  -0.441  -6.080  -2.097
   70    HE1  TRP   8           HE1      TRP   8   0.796  -8.196  -1.313
   71    HE3  TRP   8           HE3      TRP   8   0.056  -4.940   2.862
   72    HZ2  TRP   8           HZ2      TRP   8   1.843  -9.244   1.090
   73    HZ3  TRP   8           HZ3      TRP   8   1.187  -6.553   4.335
   74    HH2  TRP   8           HH2      TRP   8   2.061  -8.661   3.466
   75    H    ALA   9           HN       ALA   9  -1.059  -0.931  -1.935
   76    HA   ALA   9           HA       ALA   9  -3.933  -0.811  -1.579
   77   1HB   ALA   9          HB1       ALA   9  -3.604   1.616  -2.115
   78   2HB   ALA   9          HB2       ALA   9  -1.876   1.285  -2.239
   79   3HB   ALA   9          HB3       ALA   9  -2.714   1.036  -0.707
   80    H    SER  10           HN       SER  10  -2.118  -1.924  -4.023
   81    HA   SER  10           HA       SER  10  -3.287  -0.547  -6.249
   82   1HB   SER  10          HB2       SER  10  -1.054  -2.071  -5.963
   83   2HB   SER  10          HB1       SER  10  -2.149  -3.232  -6.713
   84    HG   SER  10           HG       SER  10  -0.920  -1.048  -7.789
   85    H    LEU  11           HN       LEU  11  -4.479  -2.823  -4.116
   86    HA   LEU  11           HA       LEU  11  -6.125  -4.239  -6.036
   87   1HB   LEU  11          HB2       LEU  11  -6.502  -4.419  -3.076
   88   2HB   LEU  11          HB1       LEU  11  -6.755  -5.649  -4.300
   89    HG   LEU  11           HG       LEU  11  -4.008  -4.639  -3.602
   90   1HD1  LEU  11          HD11      LEU  11  -3.798  -6.650  -2.179
   91   2HD1  LEU  11          HD12      LEU  11  -5.531  -6.925  -2.362
   92   3HD1  LEU  11          HD13      LEU  11  -4.949  -5.471  -1.549
   93   1HD2  LEU  11          HD21      LEU  11  -3.222  -6.281  -4.939
   94   2HD2  LEU  11          HD22      LEU  11  -4.800  -6.107  -5.708
   95   3HD2  LEU  11          HD23      LEU  11  -4.530  -7.391  -4.530
   96    H    TRP  12           HN       TRP  12  -6.281  -1.263  -4.666
   97    HA   TRP  12           HA       TRP  12  -9.193  -1.279  -4.340
   98   1HB   TRP  12          HB2       TRP  12  -7.193  -0.042  -2.876
   99   2HB   TRP  12          HB1       TRP  12  -7.847   1.268  -3.855
  100    HD1  TRP  12           HD1      TRP  12  -9.986   2.387  -2.968
  101    HE1  TRP  12           HE1      TRP  12 -11.696   1.857  -1.119
  102    HE3  TRP  12           HE3      TRP  12  -8.336  -2.269  -1.646
  103    HZ2  TRP  12           HZ2      TRP  12 -12.269  -0.256   0.664
  104    HZ3  TRP  12           HZ3      TRP  12  -9.520  -3.476   0.140
  105    HH2  TRP  12           HH2      TRP  12 -11.446  -2.489   1.271
  106    H    ASN  13           HN       ASN  13  -7.920  -1.490  -6.952
  107    HA   ASN  13           HA       ASN  13  -9.264   0.770  -8.213
  108   1HB   ASN  13          HB2       ASN  13  -6.344   0.208  -8.369
  109   2HB   ASN  13          HB1       ASN  13  -7.153   0.725  -9.845
  110   1HD2  ASN  13          HD21      ASN  13  -5.959   1.653  -6.777
  111   2HD2  ASN  13          HD22      ASN  13  -6.341   3.334  -6.886
  Start of MODEL   15
    1   1H    GLU   1          HT1       GLU   1   3.662   8.894   6.512
    2   2H    GLU   1          HT2       GLU   1   4.970   7.798   6.700
    3   3H    GLU   1          HT3       GLU   1   3.587   7.340   5.793
    4    HA   GLU   1           HA       GLU   1   4.072   8.791   4.088
    5   1HB   GLU   1          HB2       GLU   1   6.070  10.338   4.333
    6   2HB   GLU   1          HB1       GLU   1   4.659  10.746   5.298
    7   1HG   GLU   1          HG2       GLU   1   5.696  10.312   7.260
    8   2HG   GLU   1          HG1       GLU   1   6.691   9.026   6.577
    9    H    LEU   2           HN       LEU   2   5.164   7.871   2.457
   10    HA   LEU   2           HA       LEU   2   6.583   6.504   1.321
   11   1HB   LEU   2          HB2       LEU   2   8.168   8.157   2.841
   12   2HB   LEU   2          HB1       LEU   2   8.758   6.566   3.284
   13    HG   LEU   2           HG       LEU   2   8.471   7.328   0.397
   14   1HD1  LEU   2          HD11      LEU   2  10.794   7.958   2.209
   15   2HD1  LEU   2          HD12      LEU   2   9.782   9.111   1.340
   16   3HD1  LEU   2          HD13      LEU   2  10.845   8.023   0.448
   17   1HD2  LEU   2          HD21      LEU   2  10.584   5.593   1.594
   18   2HD2  LEU   2          HD22      LEU   2   9.870   5.546  -0.018
   19   3HD2  LEU   2          HD23      LEU   2   8.955   4.957   1.369
   20    H    LEU   3           HN       LEU   3   4.757   5.243   2.986
   21    HA   LEU   3           HA       LEU   3   6.008   3.257   4.613
   22   1HB   LEU   3          HB2       LEU   3   3.221   3.454   3.474
   23   2HB   LEU   3          HB1       LEU   3   3.737   2.200   4.587
   24    HG   LEU   3           HG       LEU   3   3.979   5.100   5.325
   25   1HD1  LEU   3          HD11      LEU   3   1.566   3.361   5.810
   26   2HD1  LEU   3          HD12      LEU   3   1.648   4.662   4.622
   27   3HD1  LEU   3          HD13      LEU   3   1.800   5.027   6.341
   28   1HD2  LEU   3          HD21      LEU   3   3.465   3.856   7.594
   29   2HD2  LEU   3          HD22      LEU   3   5.094   3.906   6.921
   30   3HD2  LEU   3          HD23      LEU   3   4.094   2.469   6.705
   31    H    GLU   4           HN       GLU   4   6.963   1.443   3.986
   32    HA   GLU   4           HA       GLU   4   7.013   0.686   1.222
   33   1HB   GLU   4          HB2       GLU   4   8.227  -0.489   3.716
   34   2HB   GLU   4          HB1       GLU   4   8.387  -1.264   2.146
   35   1HG   GLU   4          HG2       GLU   4   9.412   0.831   1.286
   36   2HG   GLU   4          HG1       GLU   4   9.376   1.466   2.930
   37    H    LEU   5           HN       LEU   5   5.158  -0.226   3.988
   38    HA   LEU   5           HA       LEU   5   4.300  -2.739   2.841
   39   1HB   LEU   5          HB2       LEU   5   3.063  -3.075   4.848
   40   2HB   LEU   5          HB1       LEU   5   4.650  -2.463   5.280
   41    HG   LEU   5           HG       LEU   5   2.773  -0.308   4.937
   42   1HD1  LEU   5          HD11      LEU   5   1.294  -0.748   6.776
   43   2HD1  LEU   5          HD12      LEU   5   2.087  -2.290   7.099
   44   3HD1  LEU   5          HD13      LEU   5   1.160  -2.068   5.615
   45   1HD2  LEU   5          HD21      LEU   5   4.666  -1.292   7.022
   46   2HD2  LEU   5          HD22      LEU   5   3.508  -0.024   7.422
   47   3HD2  LEU   5          HD23      LEU   5   4.674   0.225   6.123
   48    H    ASP   6           HN       ASP   6   3.624   0.201   1.888
   49    HA   ASP   6           HA       ASP   6   0.727   0.074   1.892
   50   1HB   ASP   6          HB2       ASP   6   2.774   2.092   1.214
   51   2HB   ASP   6          HB1       ASP   6   1.308   2.148   0.240
   52    H    LYS   7           HN       LYS   7   2.827  -1.677   0.259
   53    HA   LYS   7           HA       LYS   7   2.145  -1.250  -2.453
   54   1HB   LYS   7          HB2       LYS   7   4.176  -2.479  -1.520
   55   2HB   LYS   7          HB1       LYS   7   3.102  -3.851  -1.283
   56   1HG   LYS   7          HG2       LYS   7   2.555  -3.332  -3.836
   57   2HG   LYS   7          HG1       LYS   7   4.204  -2.709  -3.769
   58   1HD   LYS   7          HD2       LYS   7   4.790  -4.842  -4.176
   59   2HD   LYS   7          HD1       LYS   7   4.474  -5.074  -2.455
   60   1HE   LYS   7          HE2       LYS   7   3.091  -6.697  -3.168
   61   2HE   LYS   7          HE1       LYS   7   1.982  -5.362  -3.476
   62   1HZ   LYS   7          HZ1       LYS   7   3.028  -5.280  -5.764
   63   2HZ   LYS   7          HZ2       LYS   7   2.025  -6.603  -5.441
   64   3HZ   LYS   7          HZ3       LYS   7   3.706  -6.789  -5.410
   65    H    TRP   8           HN       TRP   8   0.390  -2.555   0.094
   66    HA   TRP   8           HA       TRP   8  -1.086  -4.523  -1.364
   67   1HB   TRP   8          HB2       TRP   8  -1.025  -3.482   1.366
   68   2HB   TRP   8          HB1       TRP   8  -2.654  -3.855   0.811
   69    HD1  TRP   8           HD1      TRP   8  -3.137  -6.075   2.043
   70    HE1  TRP   8           HE1      TRP   8  -2.029  -8.398   2.099
   71    HE3  TRP   8           HE3      TRP   8   1.140  -4.998  -0.544
   72    HZ2  TRP   8           HZ2      TRP   8   0.344  -9.612   1.170
   73    HZ3  TRP   8           HZ3      TRP   8   2.777  -6.796  -0.917
   74    HH2  TRP   8           HH2      TRP   8   2.386  -9.055  -0.076
   75    H    ALA   9           HN       ALA   9  -1.109  -1.197  -1.472
   76    HA   ALA   9           HA       ALA   9  -3.962  -0.887  -1.893
   77   1HB   ALA   9          HB1       ALA   9  -1.789   1.164  -2.268
   78   2HB   ALA   9          HB2       ALA   9  -2.602   0.844  -0.736
   79   3HB   ALA   9          HB3       ALA   9  -3.521   1.455  -2.112
   80    H    SER  10           HN       SER  10  -2.084  -2.484  -3.740
   81    HA   SER  10           HA       SER  10  -2.204  -1.015  -6.219
   82   1HB   SER  10          HB2       SER  10  -0.533  -2.947  -5.339
   83   2HB   SER  10          HB1       SER  10  -1.659  -3.925  -6.281
   84    HG   SER  10           HG       SER  10   0.173  -3.051  -7.468
   85    H    LEU  11           HN       LEU  11  -4.546  -2.491  -4.488
   86    HA   LEU  11           HA       LEU  11  -5.859  -3.868  -6.671
   87   1HB   LEU  11          HB2       LEU  11  -7.498  -4.537  -5.088
   88   2HB   LEU  11          HB1       LEU  11  -5.925  -4.713  -4.331
   89    HG   LEU  11           HG       LEU  11  -7.118  -2.112  -3.817
   90   1HD1  LEU  11          HD11      LEU  11  -8.616  -4.596  -3.033
   91   2HD1  LEU  11          HD12      LEU  11  -9.229  -3.161  -3.856
   92   3HD1  LEU  11          HD13      LEU  11  -8.768  -3.073  -2.156
   93   1HD2  LEU  11          HD21      LEU  11  -6.716  -3.169  -1.413
   94   2HD2  LEU  11          HD22      LEU  11  -5.395  -2.541  -2.399
   95   3HD2  LEU  11          HD23      LEU  11  -5.716  -4.275  -2.354
   96    H    TRP  12           HN       TRP  12  -5.402  -0.815  -6.493
   97    HA   TRP  12           HA       TRP  12  -6.482   1.046  -7.219
   98   1HB   TRP  12          HB2       TRP  12  -8.048  -1.174  -8.338
   99   2HB   TRP  12          HB1       TRP  12  -8.951   0.328  -8.176
  100    HD1  TRP  12           HD1      TRP  12  -6.401  -1.363 -10.331
  101    HE1  TRP  12           HE1      TRP  12  -5.661   0.224 -12.217
  102    HE3  TRP  12           HE3      TRP  12  -8.504   2.970  -8.617
  103    HZ2  TRP  12           HZ2      TRP  12  -5.932   2.953 -12.889
  104    HZ3  TRP  12           HZ3      TRP  12  -8.217   5.024  -9.940
  105    HH2  TRP  12           HH2      TRP  12  -6.957   5.014 -12.032
  106    H    ASN  13           HN       ASN  13  -6.806   0.088  -4.490
  107    HA   ASN  13           HA       ASN  13  -9.517   0.647  -3.704
  108   1HB   ASN  13          HB2       ASN  13  -8.030  -0.940  -2.472
  109   2HB   ASN  13          HB1       ASN  13  -7.053   0.434  -1.962
  110   1HD2  ASN  13          HD21      ASN  13  -7.589  -0.349   0.186
  111   2HD2  ASN  13          HD22      ASN  13  -9.078   0.143   0.911
  Start of MODEL   16
    1   1H    GLU   1          HT1       GLU   1   4.704  10.102   3.649
    2   2H    GLU   1          HT2       GLU   1   4.114  10.276   2.047
    3   3H    GLU   1          HT3       GLU   1   5.792  10.048   2.326
    4    HA   GLU   1           HA       GLU   1   3.771   8.083   3.133
    5   1HB   GLU   1          HB2       GLU   1   4.579   8.864   0.485
    6   2HB   GLU   1          HB1       GLU   1   5.145   7.232   0.809
    7   1HG   GLU   1          HG2       GLU   1   3.112   6.652   0.077
    8   2HG   GLU   1          HG1       GLU   1   2.616   7.053   1.721
    9    H    LEU   2           HN       LEU   2   4.792   7.007   4.701
   10    HA   LEU   2           HA       LEU   2   7.664   6.445   4.383
   11   1HB   LEU   2          HB2       LEU   2   7.695   6.079   6.816
   12   2HB   LEU   2          HB1       LEU   2   7.188   7.702   6.387
   13    HG   LEU   2           HG       LEU   2   5.025   5.722   6.804
   14   1HD1  LEU   2          HD11      LEU   2   5.189   5.542   9.088
   15   2HD1  LEU   2          HD12      LEU   2   6.228   6.960   9.235
   16   3HD1  LEU   2          HD13      LEU   2   6.886   5.445   8.617
   17   1HD2  LEU   2          HD21      LEU   2   4.339   7.890   8.196
   18   2HD2  LEU   2          HD22      LEU   2   4.108   7.766   6.452
   19   3HD2  LEU   2          HD23      LEU   2   5.504   8.628   7.097
   20    H    LEU   3           HN       LEU   3   4.511   5.036   4.832
   21    HA   LEU   3           HA       LEU   3   5.223   2.455   5.625
   22   1HB   LEU   3          HB2       LEU   3   2.895   3.603   4.141
   23   2HB   LEU   3          HB1       LEU   3   3.052   1.863   4.291
   24    HG   LEU   3           HG       LEU   3   1.576   2.845   6.009
   25   1HD1  LEU   3          HD11      LEU   3   3.359   0.855   6.304
   26   2HD1  LEU   3          HD12      LEU   3   2.214   1.335   7.556
   27   3HD1  LEU   3          HD13      LEU   3   3.874   1.926   7.607
   28   1HD2  LEU   3          HD21      LEU   3   4.013   4.060   7.262
   29   2HD2  LEU   3          HD22      LEU   3   2.313   4.349   7.631
   30   3HD2  LEU   3          HD23      LEU   3   3.009   4.974   6.136
   31    H    GLU   4           HN       GLU   4   6.476   1.028   4.651
   32    HA   GLU   4           HA       GLU   4   7.017   1.237   1.808
   33   1HB   GLU   4          HB2       GLU   4   8.571   0.557   3.950
   34   2HB   GLU   4          HB1       GLU   4   8.180  -1.024   3.288
   35   1HG   GLU   4          HG2       GLU   4   9.260   1.202   1.591
   36   2HG   GLU   4          HG1       GLU   4  10.306   0.085   2.468
   37    H    LEU   5           HN       LEU   5   5.170  -0.738   3.984
   38    HA   LEU   5           HA       LEU   5   4.786  -2.849   2.045
   39   1HB   LEU   5          HB2       LEU   5   3.304  -3.830   3.774
   40   2HB   LEU   5          HB1       LEU   5   4.949  -3.543   4.313
   41    HG   LEU   5           HG       LEU   5   3.507  -1.218   4.927
   42   1HD1  LEU   5          HD11      LEU   5   2.070  -3.616   6.030
   43   2HD1  LEU   5          HD12      LEU   5   1.496  -2.721   4.623
   44   3HD1  LEU   5          HD13      LEU   5   1.635  -1.914   6.185
   45   1HD2  LEU   5          HD21      LEU   5   5.420  -2.608   6.089
   46   2HD2  LEU   5          HD22      LEU   5   4.065  -3.277   6.999
   47   3HD2  LEU   5          HD23      LEU   5   4.370  -1.540   7.021
   48    H    ASP   6           HN       ASP   6   3.723   0.070   1.822
   49    HA   ASP   6           HA       ASP   6   0.867  -0.385   1.659
   50   1HB   ASP   6          HB2       ASP   6   2.491   1.867   2.042
   51   2HB   ASP   6          HB1       ASP   6   1.747   2.098   0.463
   52    H    LYS   7           HN       LYS   7   3.283  -1.336  -0.268
   53    HA   LYS   7           HA       LYS   7   2.489  -0.418  -2.823
   54   1HB   LYS   7          HB2       LYS   7   3.955  -2.111  -3.716
   55   2HB   LYS   7          HB1       LYS   7   4.727  -1.370  -2.321
   56   1HG   LYS   7          HG2       LYS   7   3.212  -3.628  -1.453
   57   2HG   LYS   7          HG1       LYS   7   4.244  -4.103  -2.803
   58   1HD   LYS   7          HD2       LYS   7   6.164  -3.743  -1.639
   59   2HD   LYS   7          HD1       LYS   7   5.474  -2.416  -0.702
   60   1HE   LYS   7          HE2       LYS   7   5.906  -4.281   0.762
   61   2HE   LYS   7          HE1       LYS   7   4.165  -4.064   0.595
   62   1HZ   LYS   7          HZ1       LYS   7   5.474  -5.920  -1.242
   63   2HZ   LYS   7          HZ2       LYS   7   3.937  -5.999  -0.539
   64   3HZ   LYS   7          HZ3       LYS   7   5.303  -6.413   0.368
   65    H    TRP   8           HN       TRP   8   1.280  -2.825  -0.726
   66    HA   TRP   8           HA       TRP   8  -0.145  -4.254  -2.809
   67   1HB   TRP   8          HB2       TRP   8   0.359  -4.646   0.084
   68   2HB   TRP   8          HB1       TRP   8  -1.163  -5.280  -0.533
   69    HD1  TRP   8           HD1      TRP   8   0.170  -6.104  -3.445
   70    HE1  TRP   8           HE1      TRP   8   1.571  -8.262  -3.521
   71    HE3  TRP   8           HE3      TRP   8   1.227  -6.561   1.536
   72    HZ2  TRP   8           HZ2      TRP   8   2.942  -9.936  -1.709
   73    HZ3  TRP   8           HZ3      TRP   8   2.589  -8.469   2.282
   74    HH2  TRP   8           HH2      TRP   8   3.427 -10.121   0.692
   75    H    ALA   9           HN       ALA   9  -0.647  -1.333  -1.630
   76    HA   ALA   9           HA       ALA   9  -3.450  -1.564  -0.928
   77   1HB   ALA   9          HB1       ALA   9  -2.302   1.108  -1.393
   78   2HB   ALA   9          HB2       ALA   9  -1.541   0.154  -0.121
   79   3HB   ALA   9          HB3       ALA   9  -3.268   0.502  -0.048
   80    H    SER  10           HN       SER  10  -2.068  -1.911  -3.772
   81    HA   SER  10           HA       SER  10  -3.613   0.000  -5.310
   82   1HB   SER  10          HB2       SER  10  -1.205  -1.131  -5.775
   83   2HB   SER  10          HB1       SER  10  -2.235  -2.224  -6.698
   84    HG   SER  10           HG       SER  10  -2.199   0.605  -6.948
   85    H    LEU  11           HN       LEU  11  -4.624  -2.542  -3.701
   86    HA   LEU  11           HA       LEU  11  -6.019  -3.966  -5.792
   87   1HB   LEU  11          HB2       LEU  11  -6.977  -5.282  -3.944
   88   2HB   LEU  11          HB1       LEU  11  -5.223  -5.245  -3.925
   89    HG   LEU  11           HG       LEU  11  -5.899  -3.122  -2.311
   90   1HD1  LEU  11          HD11      LEU  11  -7.792  -5.399  -1.750
   91   2HD1  LEU  11          HD12      LEU  11  -8.238  -3.780  -2.291
   92   3HD1  LEU  11          HD13      LEU  11  -7.513  -4.010  -0.700
   93   1HD2  LEU  11          HD21      LEU  11  -4.731  -4.260  -0.716
   94   2HD2  LEU  11          HD22      LEU  11  -4.265  -5.196  -2.136
   95   3HD2  LEU  11          HD23      LEU  11  -5.532  -5.792  -1.064
   96    H    TRP  12           HN       TRP  12  -6.522  -1.028  -4.530
   97    HA   TRP  12           HA       TRP  12  -9.377  -1.153  -5.082
   98   1HB   TRP  12          HB2       TRP  12  -8.223  -0.720  -2.418
   99   2HB   TRP  12          HB1       TRP  12  -9.373   0.522  -2.903
  100    HD1  TRP  12           HD1      TRP  12 -11.401  -1.393  -4.497
  101    HE1  TRP  12           HE1      TRP  12 -12.913  -2.987  -3.157
  102    HE3  TRP  12           HE3      TRP  12  -8.719  -1.594  -0.148
  103    HZ2  TRP  12           HZ2      TRP  12 -12.963  -4.173  -0.596
  104    HZ3  TRP  12           HZ3      TRP  12  -9.569  -2.982   1.698
  105    HH2  TRP  12           HH2      TRP  12 -11.647  -4.244   1.477
  106    H    ASN  13           HN       ASN  13  -8.550  -0.039  -6.984
  107    HA   ASN  13           HA       ASN  13  -8.228   1.824  -8.247
  108   1HB   ASN  13          HB2       ASN  13 -10.191   2.508  -6.628
  109   2HB   ASN  13          HB1       ASN  13  -8.977   3.588  -5.949
  110   1HD2  ASN  13          HD21      ASN  13 -11.462   4.107  -7.467
  111   2HD2  ASN  13          HD22      ASN  13 -10.982   5.097  -8.799
  Start of MODEL   17
    1   1H    GLU   1          HT1       GLU   1   5.040   9.943   3.997
    2   2H    GLU   1          HT2       GLU   1   3.517  10.182   4.751
    3   3H    GLU   1          HT3       GLU   1   3.597   9.589   3.143
    4    HA   GLU   1           HA       GLU   1   4.324   8.244   5.645
    5   1HB   GLU   1          HB2       GLU   1   2.339   7.869   3.420
    6   2HB   GLU   1          HB1       GLU   1   2.815   6.509   4.428
    7   1HG   GLU   1          HG2       GLU   1   1.473   7.154   6.066
    8   2HG   GLU   1          HG1       GLU   1   2.129   8.791   6.044
    9    H    LEU   2           HN       LEU   2   4.069   7.381   2.198
   10    HA   LEU   2           HA       LEU   2   5.412   6.158   0.831
   11   1HB   LEU   2          HB2       LEU   2   7.023   8.059   1.992
   12   2HB   LEU   2          HB1       LEU   2   7.894   6.576   2.330
   13    HG   LEU   2           HG       LEU   2   6.960   6.945  -0.458
   14   1HD1  LEU   2          HD11      LEU   2   8.422   8.596  -1.073
   15   2HD1  LEU   2          HD12      LEU   2   9.477   8.333   0.315
   16   3HD1  LEU   2          HD13      LEU   2   7.941   9.174   0.522
   17   1HD2  LEU   2          HD21      LEU   2   8.427   5.071   0.687
   18   2HD2  LEU   2          HD22      LEU   2   9.725   6.218   0.356
   19   3HD2  LEU   2          HD23      LEU   2   8.734   5.601  -0.966
   20    H    LEU   3           HN       LEU   3   4.141   4.782   2.925
   21    HA   LEU   3           HA       LEU   3   5.878   3.054   4.334
   22   1HB   LEU   3          HB2       LEU   3   2.964   3.025   3.661
   23   2HB   LEU   3          HB1       LEU   3   3.701   1.592   4.353
   24    HG   LEU   3           HG       LEU   3   3.838   4.306   5.657
   25   1HD1  LEU   3          HD11      LEU   3   1.513   3.008   5.291
   26   2HD1  LEU   3          HD12      LEU   3   1.877   3.978   6.718
   27   3HD1  LEU   3          HD13      LEU   3   2.072   2.226   6.769
   28   1HD2  LEU   3          HD21      LEU   3   5.563   2.653   6.289
   29   2HD2  LEU   3          HD22      LEU   3   4.283   1.538   6.766
   30   3HD2  LEU   3          HD23      LEU   3   4.486   3.067   7.622
   31    H    GLU   4           HN       GLU   4   6.341   0.843   3.977
   32    HA   GLU   4           HA       GLU   4   6.702   0.203   1.171
   33   1HB   GLU   4          HB2       GLU   4   7.591  -1.264   3.661
   34   2HB   GLU   4          HB1       GLU   4   8.046  -1.688   2.017
   35   1HG   GLU   4          HG2       GLU   4   8.756   0.831   3.499
   36   2HG   GLU   4          HG1       GLU   4   9.841  -0.486   3.054
   37    H    LEU   5           HN       LEU   5   4.628  -0.693   3.792
   38    HA   LEU   5           HA       LEU   5   3.747  -3.135   2.519
   39   1HB   LEU   5          HB2       LEU   5   2.165  -3.261   4.435
   40   2HB   LEU   5          HB1       LEU   5   3.859  -3.203   4.890
   41    HG   LEU   5           HG       LEU   5   2.960  -0.542   4.811
   42   1HD1  LEU   5          HD11      LEU   5   0.698  -1.874   5.038
   43   2HD1  LEU   5          HD12      LEU   5   0.994  -0.402   5.963
   44   3HD1  LEU   5          HD13      LEU   5   1.200  -1.979   6.726
   45   1HD2  LEU   5          HD21      LEU   5   3.287  -0.810   7.348
   46   2HD2  LEU   5          HD22      LEU   5   4.668  -1.102   6.291
   47   3HD2  LEU   5          HD23      LEU   5   3.768  -2.462   6.963
   48    H    ASP   6           HN       ASP   6   3.234  -0.115   1.669
   49    HA   ASP   6           HA       ASP   6   0.343  -0.160   1.447
   50   1HB   ASP   6          HB2       ASP   6   2.489   1.834   0.991
   51   2HB   ASP   6          HB1       ASP   6   1.047   1.994  -0.006
   52    H    LYS   7           HN       LYS   7   2.537  -1.860  -0.132
   53    HA   LYS   7           HA       LYS   7   2.007  -1.247  -2.856
   54   1HB   LYS   7          HB2       LYS   7   3.121  -3.393  -3.337
   55   2HB   LYS   7          HB1       LYS   7   4.055  -2.390  -2.235
   56   1HG   LYS   7          HG2       LYS   7   3.240  -3.713  -0.344
   57   2HG   LYS   7          HG1       LYS   7   2.320  -4.726  -1.459
   58   1HD   LYS   7          HD2       LYS   7   4.112  -5.985  -1.844
   59   2HD   LYS   7          HD1       LYS   7   5.033  -4.570  -2.353
   60   1HE   LYS   7          HE2       LYS   7   6.295  -5.336  -0.583
   61   2HE   LYS   7          HE1       LYS   7   5.265  -4.142   0.205
   62   1HZ   LYS   7          HZ1       LYS   7   4.988  -5.886   1.610
   63   2HZ   LYS   7          HZ2       LYS   7   5.229  -7.057   0.415
   64   3HZ   LYS   7          HZ3       LYS   7   3.746  -6.251   0.520
   65    H    TRP   8           HN       TRP   8   0.356  -3.041  -0.465
   66    HA   TRP   8           HA       TRP   8  -1.197  -4.570  -2.372
   67   1HB   TRP   8          HB2       TRP   8  -2.170  -5.679  -0.515
   68   2HB   TRP   8          HB1       TRP   8  -0.473  -5.460  -0.109
   69    HD1  TRP   8           HD1      TRP   8  -0.927  -2.306   0.798
   70    HE1  TRP   8           HE1      TRP   8  -1.964  -1.896   3.116
   71    HE3  TRP   8           HE3      TRP   8  -3.101  -6.875   1.533
   72    HZ2  TRP   8           HZ2      TRP   8  -3.500  -3.321   5.008
   73    HZ3  TRP   8           HZ3      TRP   8  -4.336  -7.270   3.624
   74    HH2  TRP   8           HH2      TRP   8  -4.530  -5.529   5.325
   75    H    ALA   9           HN       ALA   9  -1.343  -1.515  -0.956
   76    HA   ALA   9           HA       ALA   9  -4.233  -1.292  -1.048
   77   1HB   ALA   9          HB1       ALA   9  -4.008   0.572   0.203
   78   2HB   ALA   9          HB2       ALA   9  -2.608   1.144  -0.704
   79   3HB   ALA   9          HB3       ALA   9  -2.411  -0.100   0.532
   80    H    SER  10           HN       SER  10  -1.469  -0.483  -3.007
   81    HA   SER  10           HA       SER  10  -2.813   1.379  -4.699
   82   1HB   SER  10          HB2       SER  10  -0.280  -0.201  -5.195
   83   2HB   SER  10          HB1       SER  10  -0.830   1.184  -6.137
   84    HG   SER  10           HG       SER  10   0.713   1.308  -4.101
   85    H    LEU  11           HN       LEU  11  -3.102  -1.939  -4.396
   86    HA   LEU  11           HA       LEU  11  -3.439  -2.602  -7.157
   87   1HB   LEU  11          HB2       LEU  11  -4.541  -4.180  -4.855
   88   2HB   LEU  11          HB1       LEU  11  -4.035  -4.764  -6.429
   89    HG   LEU  11           HG       LEU  11  -2.182  -3.698  -4.297
   90   1HD1  LEU  11          HD11      LEU  11  -2.651  -5.716  -3.395
   91   2HD1  LEU  11          HD12      LEU  11  -1.480  -6.262  -4.595
   92   3HD1  LEU  11          HD13      LEU  11  -3.207  -6.395  -4.925
   93   1HD2  LEU  11          HD21      LEU  11  -0.448  -3.949  -5.729
   94   2HD2  LEU  11          HD22      LEU  11  -1.703  -3.636  -6.929
   95   3HD2  LEU  11          HD23      LEU  11  -1.205  -5.293  -6.585
   96    H    TRP  12           HN       TRP  12  -5.348  -1.023  -4.888
   97    HA   TRP  12           HA       TRP  12  -7.457  -0.516  -6.634
   98   1HB   TRP  12          HB2       TRP  12  -7.796  -3.039  -5.995
   99   2HB   TRP  12          HB1       TRP  12  -8.438  -2.374  -4.496
  100    HD1  TRP  12           HD1      TRP  12 -10.988  -2.536  -4.665
  101    HE1  TRP  12           HE1      TRP  12 -12.760  -1.924  -6.429
  102    HE3  TRP  12           HE3      TRP  12  -7.887  -1.112  -8.473
  103    HZ2  TRP  12           HZ2      TRP  12 -12.833  -0.965  -9.083
  104    HZ3  TRP  12           HZ3      TRP  12  -8.888  -0.360 -10.591
  105    HH2  TRP  12           HH2      TRP  12 -11.310  -0.289 -10.888
  106    H    ASN  13           HN       ASN  13  -5.840   0.902  -4.817
  107    HA   ASN  13           HA       ASN  13  -5.959   2.560  -3.265
  108   1HB   ASN  13          HB2       ASN  13  -8.814   2.293  -4.134
  109   2HB   ASN  13          HB1       ASN  13  -8.419   3.350  -2.782
  110   1HD2  ASN  13          HD21      ASN  13  -6.218   4.601  -3.399
  111   2HD2  ASN  13          HD22      ASN  13  -6.351   5.479  -4.881
  Start of MODEL   18
    1   1H    GLU   1          HT1       GLU   1   1.323   8.194   3.626
    2   2H    GLU   1          HT2       GLU   1   2.456   8.846   4.738
    3   3H    GLU   1          HT3       GLU   1   0.961   8.219   5.301
    4    HA   GLU   1           HA       GLU   1   2.908   6.783   5.656
    5   1HB   GLU   1          HB2       GLU   1   0.276   6.223   4.608
    6   2HB   GLU   1          HB1       GLU   1   1.404   4.971   4.107
    7   1HG   GLU   1          HG2       GLU   1   1.978   4.480   6.368
    8   2HG   GLU   1          HG1       GLU   1   1.072   5.874   6.955
    9    H    LEU   2           HN       LEU   2   4.839   6.418   4.796
   10    HA   LEU   2           HA       LEU   2   5.005   5.731   1.942
   11   1HB   LEU   2          HB2       LEU   2   5.721   8.110   2.453
   12   2HB   LEU   2          HB1       LEU   2   7.052   7.423   3.364
   13    HG   LEU   2           HG       LEU   2   7.427   6.138   1.037
   14   1HD1  LEU   2          HD11      LEU   2   6.032   8.712   0.356
   15   2HD1  LEU   2          HD12      LEU   2   5.651   7.082  -0.199
   16   3HD1  LEU   2          HD13      LEU   2   7.118   7.884  -0.761
   17   1HD2  LEU   2          HD21      LEU   2   9.223   7.606   0.649
   18   2HD2  LEU   2          HD22      LEU   2   8.968   7.635   2.394
   19   3HD2  LEU   2          HD23      LEU   2   8.381   8.965   1.395
   20    H    LEU   3           HN       LEU   3   4.888   3.944   4.133
   21    HA   LEU   3           HA       LEU   3   7.536   3.080   4.816
   22   1HB   LEU   3          HB2       LEU   3   4.932   1.581   5.090
   23   2HB   LEU   3          HB1       LEU   3   6.440   1.210   5.904
   24    HG   LEU   3           HG       LEU   3   4.913   3.777   6.322
   25   1HD1  LEU   3          HD11      LEU   3   3.753   1.575   6.997
   26   2HD1  LEU   3          HD12      LEU   3   3.871   2.872   8.186
   27   3HD1  LEU   3          HD13      LEU   3   4.977   1.501   8.264
   28   1HD2  LEU   3          HD21      LEU   3   6.351   3.532   8.512
   29   2HD2  LEU   3          HD22      LEU   3   7.032   4.243   7.049
   30   3HD2  LEU   3          HD23      LEU   3   7.382   2.563   7.458
   31    H    GLU   4           HN       GLU   4   7.958   0.595   4.486
   32    HA   GLU   4           HA       GLU   4   8.304   0.225   1.680
   33   1HB   GLU   4          HB2       GLU   4   9.020  -1.287   4.143
   34   2HB   GLU   4          HB1       GLU   4   9.008  -2.165   2.620
   35   1HG   GLU   4          HG2       GLU   4  10.436   0.422   2.659
   36   2HG   GLU   4          HG1       GLU   4  11.159  -0.910   3.559
   37    H    LEU   5           HN       LEU   5   5.939  -0.794   4.001
   38    HA   LEU   5           HA       LEU   5   4.860  -2.855   2.281
   39   1HB   LEU   5          HB2       LEU   5   3.196  -3.169   4.054
   40   2HB   LEU   5          HB1       LEU   5   4.844  -3.265   4.650
   41    HG   LEU   5           HG       LEU   5   4.015  -0.574   4.873
   42   1HD1  LEU   5          HD11      LEU   5   2.081  -0.706   6.288
   43   2HD1  LEU   5          HD12      LEU   5   2.073  -2.466   6.185
   44   3HD1  LEU   5          HD13      LEU   5   1.713  -1.498   4.755
   45   1HD2  LEU   5          HD21      LEU   5   4.848  -2.784   6.671
   46   2HD2  LEU   5          HD22      LEU   5   4.118  -1.354   7.400
   47   3HD2  LEU   5          HD23      LEU   5   5.573  -1.197   6.416
   48    H    ASP   6           HN       ASP   6   4.834   0.185   1.690
   49    HA   ASP   6           HA       ASP   6   2.055   0.866   1.628
   50   1HB   ASP   6          HB2       ASP   6   2.784   2.837   0.361
   51   2HB   ASP   6          HB1       ASP   6   3.775   2.600   1.797
   52    H    LYS   7           HN       LYS   7   3.797  -1.295  -0.175
   53    HA   LYS   7           HA       LYS   7   2.818  -0.745  -2.784
   54   1HB   LYS   7          HB2       LYS   7   4.855  -2.138  -2.147
   55   2HB   LYS   7          HB1       LYS   7   3.724  -3.429  -1.766
   56   1HG   LYS   7          HG2       LYS   7   2.850  -3.185  -4.116
   57   2HG   LYS   7          HG1       LYS   7   4.246  -2.152  -4.427
   58   1HD   LYS   7          HD2       LYS   7   5.544  -4.197  -3.364
   59   2HD   LYS   7          HD1       LYS   7   4.120  -5.081  -3.916
   60   1HE   LYS   7          HE2       LYS   7   5.865  -3.323  -5.637
   61   2HE   LYS   7          HE1       LYS   7   5.927  -5.084  -5.584
   62   1HZ   LYS   7          HZ1       LYS   7   3.320  -3.915  -6.115
   63   2HZ   LYS   7          HZ2       LYS   7   4.058  -5.274  -6.801
   64   3HZ   LYS   7          HZ3       LYS   7   4.474  -3.725  -7.338
   65    H    TRP   8           HN       TRP   8   1.222  -1.777  -0.063
   66    HA   TRP   8           HA       TRP   8  -0.581  -3.622  -1.379
   67   1HB   TRP   8          HB2       TRP   8   0.225  -3.229   1.259
   68   2HB   TRP   8          HB1       TRP   8  -1.449  -2.684   1.233
   69    HD1  TRP   8           HD1      TRP   8  -2.923  -4.708  -0.485
   70    HE1  TRP   8           HE1      TRP   8  -3.055  -7.204   0.128
   71    HE3  TRP   8           HE3      TRP   8   1.154  -5.007   2.584
   72    HZ2  TRP   8           HZ2      TRP   8  -1.621  -9.055   1.703
   73    HZ3  TRP   8           HZ3      TRP   8   1.705  -7.178   3.604
   74    HH2  TRP   8           HH2      TRP   8   0.345  -9.159   3.172
   75    H    ALA   9           HN       ALA   9  -0.318  -0.525  -1.870
   76    HA   ALA   9           HA       ALA   9  -3.030   0.338  -1.316
   77   1HB   ALA   9          HB1       ALA   9  -2.046   2.347  -2.781
   78   2HB   ALA   9          HB2       ALA   9  -0.533   1.628  -2.229
   79   3HB   ALA   9          HB3       ALA   9  -1.731   2.172  -1.054
   80    H    SER  10           HN       SER  10  -2.096  -1.798  -3.427
   81    HA   SER  10           HA       SER  10  -3.063  -0.670  -5.895
   82   1HB   SER  10          HB2       SER  10  -1.296  -2.596  -5.477
   83   2HB   SER  10          HB1       SER  10  -2.734  -3.616  -5.523
   84    HG   SER  10           HG       SER  10  -1.887  -3.411  -7.597
   85    H    LEU  11           HN       LEU  11  -4.633  -1.648  -3.178
   86    HA   LEU  11           HA       LEU  11  -6.806  -3.055  -4.472
   87   1HB   LEU  11          HB2       LEU  11  -7.801  -3.119  -2.216
   88   2HB   LEU  11          HB1       LEU  11  -6.186  -3.802  -2.283
   89    HG   LEU  11           HG       LEU  11  -5.752  -1.147  -1.632
   90   1HD1  LEU  11          HD11      LEU  11  -7.218  -0.525   0.085
   91   2HD1  LEU  11          HD12      LEU  11  -7.939  -2.133   0.170
   92   3HD1  LEU  11          HD13      LEU  11  -8.266  -1.092  -1.215
   93   1HD2  LEU  11          HD21      LEU  11  -4.770  -3.385  -0.782
   94   2HD2  LEU  11          HD22      LEU  11  -6.019  -3.270   0.459
   95   3HD2  LEU  11          HD23      LEU  11  -4.807  -1.998   0.307
   96    H    TRP  12           HN       TRP  12  -6.059  -0.045  -4.831
   97    HA   TRP  12           HA       TRP  12  -8.637   1.132  -4.104
   98   1HB   TRP  12          HB2       TRP  12  -5.924   2.179  -4.613
   99   2HB   TRP  12          HB1       TRP  12  -7.237   3.176  -5.230
  100    HD1  TRP  12           HD1      TRP  12  -9.313   2.704  -2.842
  101    HE1  TRP  12           HE1      TRP  12  -8.860   3.801  -0.558
  102    HE3  TRP  12           HE3      TRP  12  -4.278   3.471  -3.292
  103    HZ2  TRP  12           HZ2      TRP  12  -6.661   4.852   0.865
  104    HZ3  TRP  12           HZ3      TRP  12  -3.075   4.528  -1.424
  105    HH2  TRP  12           HH2      TRP  12  -4.243   5.204   0.610
  106    H    ASN  13           HN       ASN  13  -8.375  -0.820  -6.264
  107    HA   ASN  13           HA       ASN  13  -9.992   0.421  -8.192
  108   1HB   ASN  13          HB2       ASN  13  -7.191   0.834  -8.588
  109   2HB   ASN  13          HB1       ASN  13  -7.779  -0.234  -9.859
  110   1HD2  ASN  13          HD21      ASN  13  -9.784   0.498 -10.965
  111   2HD2  ASN  13          HD22      ASN  13  -9.948   2.188 -11.284
  Start of MODEL   19
    1   1H    GLU   1          HT1       GLU   1   5.192   8.591   7.373
    2   2H    GLU   1          HT2       GLU   1   6.594   7.680   7.762
    3   3H    GLU   1          HT3       GLU   1   5.506   7.114   6.562
    4    HA   GLU   1           HA       GLU   1   6.000   9.267   5.380
    5   1HB   GLU   1          HB2       GLU   1   8.102  10.296   5.924
    6   2HB   GLU   1          HB1       GLU   1   7.146  10.213   7.397
    7   1HG   GLU   1          HG2       GLU   1   8.544   7.884   7.525
    8   2HG   GLU   1          HG1       GLU   1   9.699   8.952   6.729
    9    H    LEU   2           HN       LEU   2   7.609   6.391   6.534
   10    HA   LEU   2           HA       LEU   2   8.606   5.910   3.802
   11   1HB   LEU   2          HB2       LEU   2  10.140   6.171   6.093
   12   2HB   LEU   2          HB1       LEU   2  10.001   4.435   5.895
   13    HG   LEU   2           HG       LEU   2  10.662   5.122   3.373
   14   1HD1  LEU   2          HD11      LEU   2  11.975   7.161   5.162
   15   2HD1  LEU   2          HD12      LEU   2  10.872   7.478   3.823
   16   3HD1  LEU   2          HD13      LEU   2  12.470   6.802   3.508
   17   1HD2  LEU   2          HD21      LEU   2  12.656   4.080   3.793
   18   2HD2  LEU   2          HD22      LEU   2  11.736   3.578   5.211
   19   3HD2  LEU   2          HD23      LEU   2  12.891   4.905   5.333
   20    H    LEU   3           HN       LEU   3   6.037   5.171   4.717
   21    HA   LEU   3           HA       LEU   3   5.931   2.501   5.638
   22   1HB   LEU   3          HB2       LEU   3   4.002   4.379   4.355
   23   2HB   LEU   3          HB1       LEU   3   3.585   2.677   4.434
   24    HG   LEU   3           HG       LEU   3   4.174   4.483   6.780
   25   1HD1  LEU   3          HD11      LEU   3   2.007   4.946   5.929
   26   2HD1  LEU   3          HD12      LEU   3   1.795   3.914   7.344
   27   3HD1  LEU   3          HD13      LEU   3   1.650   3.231   5.724
   28   1HD2  LEU   3          HD21      LEU   3   4.016   1.546   6.515
   29   2HD2  LEU   3          HD22      LEU   3   3.154   2.261   7.878
   30   3HD2  LEU   3          HD23      LEU   3   4.885   2.538   7.686
   31    H    GLU   4           HN       GLU   4   6.513   0.719   4.613
   32    HA   GLU   4           HA       GLU   4   6.917   0.748   1.741
   33   1HB   GLU   4          HB2       GLU   4   8.390  -0.359   3.648
   34   2HB   GLU   4          HB1       GLU   4   7.305  -1.715   3.377
   35   1HG   GLU   4          HG2       GLU   4   8.398  -0.560   0.926
   36   2HG   GLU   4          HG1       GLU   4   9.612  -1.237   2.011
   37    H    LEU   5           HN       LEU   5   4.438  -0.123   3.889
   38    HA   LEU   5           HA       LEU   5   3.339  -2.203   2.211
   39   1HB   LEU   5          HB2       LEU   5   1.486  -2.207   3.868
   40   2HB   LEU   5          HB1       LEU   5   3.072  -2.528   4.547
   41    HG   LEU   5           HG       LEU   5   2.688   0.251   4.691
   42   1HD1  LEU   5          HD11      LEU   5   0.248  -1.326   5.424
   43   2HD1  LEU   5          HD12      LEU   5   0.366   0.171   4.500
   44   3HD1  LEU   5          HD13      LEU   5   0.643   0.186   6.242
   45   1HD2  LEU   5          HD21      LEU   5   3.969  -1.276   6.210
   46   2HD2  LEU   5          HD22      LEU   5   2.428  -1.754   6.922
   47   3HD2  LEU   5          HD23      LEU   5   2.969  -0.079   7.035
   48    H    ASP   6           HN       ASP   6   3.537   0.880   1.586
   49    HA   ASP   6           HA       ASP   6   0.788   1.593   1.157
   50   1HB   ASP   6          HB2       ASP   6   3.360   2.877   0.220
   51   2HB   ASP   6          HB1       ASP   6   1.757   3.563  -0.032
   52    H    LYS   7           HN       LYS   7   2.839  -0.483  -0.433
   53    HA   LYS   7           HA       LYS   7   2.091   0.135  -3.134
   54   1HB   LYS   7          HB2       LYS   7   3.290  -2.437  -2.108
   55   2HB   LYS   7          HB1       LYS   7   3.331  -1.822  -3.755
   56   1HG   LYS   7          HG2       LYS   7   5.004  -0.347  -3.314
   57   2HG   LYS   7          HG1       LYS   7   4.526  -0.139  -1.628
   58   1HD   LYS   7          HD2       LYS   7   6.358  -1.404  -1.243
   59   2HD   LYS   7          HD1       LYS   7   5.250  -2.732  -1.594
   60   1HE   LYS   7          HE2       LYS   7   7.020  -3.248  -2.970
   61   2HE   LYS   7          HE1       LYS   7   5.995  -2.317  -4.062
   62   1HZ   LYS   7          HZ1       LYS   7   7.920  -1.229  -4.418
   63   2HZ   LYS   7          HZ2       LYS   7   8.582  -1.641  -2.917
   64   3HZ   LYS   7          HZ3       LYS   7   7.468  -0.374  -3.030
   65    H    TRP   8           HN       TRP   8   0.412  -1.217  -0.620
   66    HA   TRP   8           HA       TRP   8  -1.014  -3.203  -2.174
   67   1HB   TRP   8          HB2       TRP   8  -0.741  -2.525   0.650
   68   2HB   TRP   8          HB1       TRP   8  -2.407  -2.872   0.200
   69    HD1  TRP   8           HD1      TRP   8  -1.726  -5.176  -1.962
   70    HE1  TRP   8           HE1      TRP   8  -0.968  -7.480  -1.099
   71    HE3  TRP   8           HE3      TRP   8  -0.138  -3.816   2.705
   72    HZ2  TRP   8           HZ2      TRP   8   0.154  -8.576   1.249
   73    HZ3  TRP   8           HZ3      TRP   8   0.763  -5.553   4.197
   74    HH2  TRP   8           HH2      TRP   8   0.905  -7.883   3.483
   75    H    ALA   9           HN       ALA   9  -1.187   0.109  -1.797
   76    HA   ALA   9           HA       ALA   9  -3.903   0.669  -1.601
   77   1HB   ALA   9          HB1       ALA   9  -2.427   2.485  -1.430
   78   2HB   ALA   9          HB2       ALA   9  -3.295   2.750  -2.942
   79   3HB   ALA   9          HB3       ALA   9  -1.652   2.111  -2.969
   80    H    SER  10           HN       SER  10  -2.123  -0.720  -4.210
   81    HA   SER  10           HA       SER  10  -4.156  -0.120  -6.189
   82   1HB   SER  10          HB2       SER  10  -2.716  -1.221  -7.772
   83   2HB   SER  10          HB1       SER  10  -1.711  -0.191  -6.752
   84    HG   SER  10           HG       SER  10  -1.211  -2.082  -5.524
   85    H    LEU  11           HN       LEU  11  -4.361  -2.062  -3.698
   86    HA   LEU  11           HA       LEU  11  -5.011  -4.559  -4.947
   87   1HB   LEU  11          HB2       LEU  11  -5.345  -5.410  -2.829
   88   2HB   LEU  11          HB1       LEU  11  -4.152  -4.155  -2.551
   89    HG   LEU  11           HG       LEU  11  -6.535  -2.824  -2.200
   90   1HD1  LEU  11          HD11      LEU  11  -8.030  -4.104  -0.976
   91   2HD1  LEU  11          HD12      LEU  11  -6.842  -5.368  -0.658
   92   3HD1  LEU  11          HD13      LEU  11  -7.541  -5.199  -2.269
   93   1HD2  LEU  11          HD21      LEU  11  -5.090  -2.235  -0.587
   94   2HD2  LEU  11          HD22      LEU  11  -4.348  -3.834  -0.535
   95   3HD2  LEU  11          HD23      LEU  11  -5.847  -3.529   0.343
   96    H    TRP  12           HN       TRP  12  -6.586  -1.672  -4.878
   97    HA   TRP  12           HA       TRP  12  -9.171  -2.992  -5.314
   98   1HB   TRP  12          HB2       TRP  12  -8.718  -1.559  -3.057
   99   2HB   TRP  12          HB1       TRP  12  -9.288  -0.284  -4.129
  100    HD1  TRP  12           HD1      TRP  12 -10.506  -3.098  -1.995
  101    HE1  TRP  12           HE1      TRP  12 -13.060  -3.325  -2.216
  102    HE3  TRP  12           HE3      TRP  12 -11.253  -0.015  -6.005
  103    HZ2  TRP  12           HZ2      TRP  12 -15.119  -2.330  -3.872
  104    HZ3  TRP  12           HZ3      TRP  12 -13.545   0.293  -6.846
  105    HH2  TRP  12           HH2      TRP  12 -15.437  -0.842  -5.800
  106    H    ASN  13           HN       ASN  13  -8.579  -2.806  -7.559
  107    HA   ASN  13           HA       ASN  13  -8.150  -0.244  -8.754
  108   1HB   ASN  13          HB2       ASN  13  -9.008  -2.779 -10.154
  109   2HB   ASN  13          HB1       ASN  13  -8.167  -1.400 -10.855
  110   1HD2  ASN  13          HD21      ASN  13  -6.167  -1.917 -11.325
  111   2HD2  ASN  13          HD22      ASN  13  -5.104  -2.877 -10.358
  Start of MODEL   20
    1   1H    GLU   1          HT1       GLU   1   8.722   9.050   2.375
    2   2H    GLU   1          HT2       GLU   1   9.867   8.103   3.234
    3   3H    GLU   1          HT3       GLU   1   8.702   9.030   4.089
    4    HA   GLU   1           HA       GLU   1   6.950   7.705   3.236
    5   1HB   GLU   1          HB2       GLU   1   8.796   7.149   1.241
    6   2HB   GLU   1          HB1       GLU   1   8.669   5.627   2.112
    7   1HG   GLU   1          HG2       GLU   1   7.058   5.447   0.460
    8   2HG   GLU   1          HG1       GLU   1   6.135   5.931   1.882
    9    H    LEU   2           HN       LEU   2   6.272   6.589   4.938
   10    HA   LEU   2           HA       LEU   2   8.257   5.119   6.536
   11   1HB   LEU   2          HB2       LEU   2   6.263   5.250   8.250
   12   2HB   LEU   2          HB1       LEU   2   7.375   6.589   8.042
   13    HG   LEU   2           HG       LEU   2   4.807   6.494   6.493
   14   1HD1  LEU   2          HD11      LEU   2   5.198   7.418   9.330
   15   2HD1  LEU   2          HD12      LEU   2   4.051   6.220   8.729
   16   3HD1  LEU   2          HD13      LEU   2   3.847   7.922   8.316
   17   1HD2  LEU   2          HD21      LEU   2   5.918   9.005   7.536
   18   2HD2  LEU   2          HD22      LEU   2   5.286   8.618   5.936
   19   3HD2  LEU   2          HD23      LEU   2   6.936   8.167   6.365
   20    H    LEU   3           HN       LEU   3   4.942   4.930   5.279
   21    HA   LEU   3           HA       LEU   3   4.759   2.120   5.981
   22   1HB   LEU   3          HB2       LEU   3   2.877   4.099   4.740
   23   2HB   LEU   3          HB1       LEU   3   2.527   2.382   4.703
   24    HG   LEU   3           HG       LEU   3   2.465   2.282   7.116
   25   1HD1  LEU   3          HD11      LEU   3   2.616   4.477   8.387
   26   2HD1  LEU   3          HD12      LEU   3   3.394   5.133   6.947
   27   3HD1  LEU   3          HD13      LEU   3   4.132   3.784   7.810
   28   1HD2  LEU   3          HD21      LEU   3   0.620   4.013   7.515
   29   2HD2  LEU   3          HD22      LEU   3   0.364   2.818   6.244
   30   3HD2  LEU   3          HD23      LEU   3   0.855   4.459   5.825
   31    H    GLU   4           HN       GLU   4   5.732   0.681   4.735
   32    HA   GLU   4           HA       GLU   4   6.220   1.220   1.927
   33   1HB   GLU   4          HB2       GLU   4   7.735   0.008   3.761
   34   2HB   GLU   4          HB1       GLU   4   6.894  -1.406   3.143
   35   1HG   GLU   4          HG2       GLU   4   7.603  -0.465   0.820
   36   2HG   GLU   4          HG1       GLU   4   8.804   0.417   1.762
   37    H    LEU   5           HN       LEU   5   4.040  -0.635   3.887
   38    HA   LEU   5           HA       LEU   5   3.199  -2.335   1.718
   39   1HB   LEU   5          HB2       LEU   5   1.490  -3.126   3.364
   40   2HB   LEU   5          HB1       LEU   5   3.162  -3.346   3.851
   41    HG   LEU   5           HG       LEU   5   2.314  -0.818   4.797
   42   1HD1  LEU   5          HD11      LEU   5   0.513  -1.571   6.350
   43   2HD1  LEU   5          HD12      LEU   5   0.397  -3.058   5.408
   44   3HD1  LEU   5          HD13      LEU   5   0.030  -1.506   4.655
   45   1HD2  LEU   5          HD21      LEU   5   3.225  -3.407   5.949
   46   2HD2  LEU   5          HD22      LEU   5   2.572  -2.176   7.031
   47   3HD2  LEU   5          HD23      LEU   5   3.974  -1.812   6.025
   48    H    ASP   6           HN       ASP   6   2.715   0.799   2.142
   49    HA   ASP   6           HA       ASP   6  -0.149   0.871   1.718
   50   1HB   ASP   6          HB2       ASP   6   1.970   2.968   2.052
   51   2HB   ASP   6          HB1       ASP   6   0.377   3.397   1.437
   52    H    LYS   7           HN       LYS   7   2.700   0.784  -0.154
   53    HA   LYS   7           HA       LYS   7   1.693   2.073  -2.480
   54   1HB   LYS   7          HB2       LYS   7   4.003   0.183  -2.061
   55   2HB   LYS   7          HB1       LYS   7   3.631   0.915  -3.616
   56   1HG   LYS   7          HG2       LYS   7   4.196   3.047  -2.891
   57   2HG   LYS   7          HG1       LYS   7   4.046   2.612  -1.188
   58   1HD   LYS   7          HD2       LYS   7   6.383   2.849  -1.769
   59   2HD   LYS   7          HD1       LYS   7   6.026   1.157  -1.416
   60   1HE   LYS   7          HE2       LYS   7   7.387   1.168  -3.354
   61   2HE   LYS   7          HE1       LYS   7   5.746   0.817  -3.896
   62   1HZ   LYS   7          HZ1       LYS   7   6.487   2.400  -5.390
   63   2HZ   LYS   7          HZ2       LYS   7   7.304   3.301  -4.215
   64   3HZ   LYS   7          HZ3       LYS   7   5.615   3.335  -4.282
   65    H    TRP   8           HN       TRP   8   1.304  -1.028  -1.128
   66    HA   TRP   8           HA       TRP   8   0.478  -2.273  -3.614
   67   1HB   TRP   8          HB2       TRP   8   1.034  -3.183  -0.855
   68   2HB   TRP   8          HB1       TRP   8  -0.215  -4.076  -1.717
   69    HD1  TRP   8           HD1      TRP   8   0.765  -6.158  -2.813
   70    HE1  TRP   8           HE1      TRP   8   2.982  -6.781  -3.963
   71    HE3  TRP   8           HE3      TRP   8   3.222  -1.701  -2.315
   72    HZ2  TRP   8           HZ2      TRP   8   5.445  -5.547  -4.578
   73    HZ3  TRP   8           HZ3      TRP   8   5.504  -1.506  -3.212
   74    HH2  TRP   8           HH2      TRP   8   6.592  -3.390  -4.319
   75    H    ALA   9           HN       ALA   9  -0.955  -0.045  -1.816
   76    HA   ALA   9           HA       ALA   9  -3.522  -1.203  -1.320
   77   1HB   ALA   9          HB1       ALA   9  -4.080   0.788  -0.366
   78   2HB   ALA   9          HB2       ALA   9  -3.208   1.738  -1.570
   79   3HB   ALA   9          HB3       ALA   9  -2.322   0.917  -0.285
   80    H    SER  10           HN       SER  10  -1.993  -0.282  -4.147
   81    HA   SER  10           HA       SER  10  -4.218   0.878  -5.522
   82   1HB   SER  10          HB2       SER  10  -2.810   0.653  -7.530
   83   2HB   SER  10          HB1       SER  10  -1.917   1.380  -6.195
   84    HG   SER  10           HG       SER  10  -0.908  -0.587  -5.836
   85    H    LEU  11           HN       LEU  11  -3.648  -2.239  -4.513
   86    HA   LEU  11           HA       LEU  11  -4.776  -3.560  -6.837
   87   1HB   LEU  11          HB2       LEU  11  -4.377  -4.912  -4.202
   88   2HB   LEU  11          HB1       LEU  11  -4.248  -5.577  -5.819
   89    HG   LEU  11           HG       LEU  11  -2.271  -3.571  -4.766
   90   1HD1  LEU  11          HD11      LEU  11  -1.065  -5.137  -3.685
   91   2HD1  LEU  11          HD12      LEU  11  -1.514  -6.416  -4.813
   92   3HD1  LEU  11          HD13      LEU  11  -2.628  -5.939  -3.532
   93   1HD2  LEU  11          HD21      LEU  11  -1.811  -3.670  -6.976
   94   2HD2  LEU  11          HD22      LEU  11  -2.564  -5.252  -7.175
   95   3HD2  LEU  11          HD23      LEU  11  -0.941  -5.127  -6.496
   96    H    TRP  12           HN       TRP  12  -6.077  -1.759  -4.450
   97    HA   TRP  12           HA       TRP  12  -8.427  -3.451  -4.037
   98   1HB   TRP  12          HB2       TRP  12  -7.113  -1.357  -2.523
   99   2HB   TRP  12          HB1       TRP  12  -8.832  -1.023  -2.705
  100    HD1  TRP  12           HD1      TRP  12 -10.358  -2.157  -0.989
  101    HE1  TRP  12           HE1      TRP  12 -10.122  -4.098   0.685
  102    HE3  TRP  12           HE3      TRP  12  -5.699  -3.800  -2.303
  103    HZ2  TRP  12           HZ2      TRP  12  -8.213  -6.066   1.358
  104    HZ3  TRP  12           HZ3      TRP  12  -4.740  -5.717  -1.095
  105    HH2  TRP  12           HH2      TRP  12  -5.972  -6.825   0.698
  106    H    ASN  13           HN       ASN  13  -7.839  -2.231  -6.633
  107    HA   ASN  13           HA       ASN  13 -10.397  -0.870  -6.990
  108   1HB   ASN  13          HB2       ASN  13  -8.718   0.923  -6.733
  109   2HB   ASN  13          HB1       ASN  13  -7.791   0.234  -8.063
  110   1HD2  ASN  13          HD21      ASN  13 -11.160   1.153  -7.407
  111   2HD2  ASN  13          HD22      ASN  13 -11.398   1.990  -8.900
  Start of MODEL   21
    1   1H    GLU   1          HT1       GLU   1   5.155  10.158   7.136
    2   2H    GLU   1          HT2       GLU   1   5.712   9.984   5.522
    3   3H    GLU   1          HT3       GLU   1   6.752   9.613   6.836
    4    HA   GLU   1           HA       GLU   1   5.070   7.913   7.492
    5   1HB   GLU   1          HB2       GLU   1   4.048   8.905   4.877
    6   2HB   GLU   1          HB1       GLU   1   3.941   7.176   5.179
    7   1HG   GLU   1          HG2       GLU   1   1.940   7.789   6.025
    8   2HG   GLU   1          HG1       GLU   1   2.916   8.033   7.473
    9    H    LEU   2           HN       LEU   2   5.994   7.978   4.056
   10    HA   LEU   2           HA       LEU   2   7.453   6.723   2.845
   11   1HB   LEU   2          HB2       LEU   2   8.834   7.250   5.392
   12   2HB   LEU   2          HB1       LEU   2   9.464   5.889   4.485
   13    HG   LEU   2           HG       LEU   2  10.719   7.870   3.930
   14   1HD1  LEU   2          HD11      LEU   2   9.696   6.155   2.127
   15   2HD1  LEU   2          HD12      LEU   2  10.820   7.451   1.719
   16   3HD1  LEU   2          HD13      LEU   2   9.086   7.681   1.486
   17   1HD2  LEU   2          HD21      LEU   2   9.488   9.745   4.321
   18   2HD2  LEU   2          HD22      LEU   2   8.013   9.055   3.643
   19   3HD2  LEU   2          HD23      LEU   2   9.287   9.638   2.572
   20    H    LEU   3           HN       LEU   3   5.232   5.424   4.212
   21    HA   LEU   3           HA       LEU   3   6.006   2.942   5.307
   22   1HB   LEU   3          HB2       LEU   3   3.440   3.560   3.845
   23   2HB   LEU   3          HB1       LEU   3   3.706   2.271   5.004
   24    HG   LEU   3           HG       LEU   3   4.022   5.145   5.809
   25   1HD1  LEU   3          HD11      LEU   3   1.700   4.336   4.729
   26   2HD1  LEU   3          HD12      LEU   3   1.808   5.501   6.049
   27   3HD1  LEU   3          HD13      LEU   3   1.462   3.806   6.394
   28   1HD2  LEU   3          HD21      LEU   3   2.944   3.065   7.602
   29   2HD2  LEU   3          HD22      LEU   3   4.093   4.362   7.926
   30   3HD2  LEU   3          HD23      LEU   3   4.633   2.887   7.125
   31    H    GLU   4           HN       GLU   4   7.168   1.464   4.273
   32    HA   GLU   4           HA       GLU   4   7.203   1.256   1.415
   33   1HB   GLU   4          HB2       GLU   4   8.998   0.637   3.347
   34   2HB   GLU   4          HB1       GLU   4   8.337  -0.957   3.009
   35   1HG   GLU   4          HG2       GLU   4   8.795  -0.433   0.554
   36   2HG   GLU   4          HG1       GLU   4   9.780   0.900   1.153
   37    H    LEU   5           HN       LEU   5   5.207  -0.029   3.842
   38    HA   LEU   5           HA       LEU   5   4.534  -2.439   2.390
   39   1HB   LEU   5          HB2       LEU   5   2.865  -2.752   4.220
   40   2HB   LEU   5          HB1       LEU   5   4.539  -2.671   4.743
   41    HG   LEU   5           HG       LEU   5   3.493  -0.043   4.794
   42   1HD1  LEU   5          HD11      LEU   5   1.271  -0.749   4.951
   43   2HD1  LEU   5          HD12      LEU   5   1.761  -0.488   6.625
   44   3HD1  LEU   5          HD13      LEU   5   1.686  -2.125   5.973
   45   1HD2  LEU   5          HD21      LEU   5   4.042  -1.834   7.146
   46   2HD2  LEU   5          HD22      LEU   5   4.195  -0.079   7.054
   47   3HD2  LEU   5          HD23      LEU   5   5.319  -1.110   6.168
   48    H    ASP   6           HN       ASP   6   3.989   0.375   1.349
   49    HA   ASP   6           HA       ASP   6   1.108   0.507   1.258
   50   1HB   ASP   6          HB2       ASP   6   3.359   2.230   0.477
   51   2HB   ASP   6          HB1       ASP   6   1.977   2.308  -0.611
   52    H    LYS   7           HN       LYS   7   3.210  -1.480  -0.240
   53    HA   LYS   7           HA       LYS   7   2.511  -1.316  -2.958
   54   1HB   LYS   7          HB2       LYS   7   3.265  -3.746  -2.998
   55   2HB   LYS   7          HB1       LYS   7   4.442  -2.565  -2.441
   56   1HG   LYS   7          HG2       LYS   7   4.636  -3.572  -0.475
   57   2HG   LYS   7          HG1       LYS   7   2.887  -3.582  -0.238
   58   1HD   LYS   7          HD2       LYS   7   3.350  -5.839  -0.265
   59   2HD   LYS   7          HD1       LYS   7   2.961  -5.548  -1.962
   60   1HE   LYS   7          HE2       LYS   7   5.233  -5.561  -2.589
   61   2HE   LYS   7          HE1       LYS   7   5.776  -5.420  -0.918
   62   1HZ   LYS   7          HZ1       LYS   7   4.932  -7.646  -0.496
   63   2HZ   LYS   7          HZ2       LYS   7   6.064  -7.666  -1.753
   64   3HZ   LYS   7          HZ3       LYS   7   4.413  -7.779  -2.101
   65    H    TRP   8           HN       TRP   8   0.743  -2.371  -0.269
   66    HA   TRP   8           HA       TRP   8  -1.002  -4.136  -1.768
   67   1HB   TRP   8          HB2       TRP   8  -1.010  -3.214   1.107
   68   2HB   TRP   8          HB1       TRP   8  -2.243  -4.271   0.427
   69    HD1  TRP   8           HD1      TRP   8   0.549  -4.639   2.539
   70    HE1  TRP   8           HE1      TRP   8   1.720  -6.918   2.292
   71    HE3  TRP   8           HE3      TRP   8  -1.421  -6.082  -1.953
   72    HZ2  TRP   8           HZ2      TRP   8   1.799  -9.046   0.438
   73    HZ3  TRP   8           HZ3      TRP   8  -0.746  -8.253  -2.894
   74    HH2  TRP   8           HH2      TRP   8   0.831  -9.703  -1.722
   75    H    ALA   9           HN       ALA   9  -0.754  -1.058  -2.138
   76    HA   ALA   9           HA       ALA   9  -3.421  -0.150  -1.508
   77   1HB   ALA   9          HB1       ALA   9  -1.300   1.270  -1.487
   78   2HB   ALA   9          HB2       ALA   9  -2.737   1.967  -2.234
   79   3HB   ALA   9          HB3       ALA   9  -1.452   1.304  -3.244
   80    H    SER  10           HN       SER  10  -2.375  -2.200  -3.800
   81    HA   SER  10           HA       SER  10  -3.796  -1.071  -6.061
   82   1HB   SER  10          HB2       SER  10  -1.619  -2.660  -5.948
   83   2HB   SER  10          HB1       SER  10  -2.871  -3.885  -6.158
   84    HG   SER  10           HG       SER  10  -1.869  -2.108  -7.952
   85    H    LEU  11           HN       LEU  11  -5.009  -2.217  -3.386
   86    HA   LEU  11           HA       LEU  11  -6.716  -4.316  -4.344
   87   1HB   LEU  11          HB2       LEU  11  -7.646  -4.366  -2.163
   88   2HB   LEU  11          HB1       LEU  11  -5.916  -4.131  -1.986
   89    HG   LEU  11           HG       LEU  11  -7.211  -1.580  -2.099
   90   1HD1  LEU  11          HD11      LEU  11  -8.262  -3.434   0.033
   91   2HD1  LEU  11          HD12      LEU  11  -9.197  -2.765  -1.305
   92   3HD1  LEU  11          HD13      LEU  11  -8.542  -1.695  -0.065
   93   1HD2  LEU  11          HD21      LEU  11  -5.391  -3.092  -0.323
   94   2HD2  LEU  11          HD22      LEU  11  -6.249  -1.725   0.387
   95   3HD2  LEU  11          HD23      LEU  11  -5.219  -1.482  -1.023
   96    H    TRP  12           HN       TRP  12  -6.726  -1.084  -4.900
   97    HA   TRP  12           HA       TRP  12  -9.537  -1.131  -5.634
   98   1HB   TRP  12          HB2       TRP  12  -9.324  -0.164  -3.286
   99   2HB   TRP  12          HB1       TRP  12  -8.470   1.187  -4.023
  100    HD1  TRP  12           HD1      TRP  12 -10.085   3.166  -4.123
  101    HE1  TRP  12           HE1      TRP  12 -12.545   3.511  -4.797
  102    HE3  TRP  12           HE3      TRP  12 -11.362  -1.696  -5.058
  103    HZ2  TRP  12           HZ2      TRP  12 -14.736   1.932  -5.614
  104    HZ3  TRP  12           HZ3      TRP  12 -13.660  -2.193  -5.782
  105    HH2  TRP  12           HH2      TRP  12 -15.312  -0.415  -6.054
  106    H    ASN  13           HN       ASN  13  -8.661  -1.169  -7.755
  107    HA   ASN  13           HA       ASN  13  -7.365   1.330  -8.609
  108   1HB   ASN  13          HB2       ASN  13  -6.911  -1.440  -9.269
  109   2HB   ASN  13          HB1       ASN  13  -7.296  -0.529 -10.726
  110   1HD2  ASN  13          HD21      ASN  13  -5.829   0.854 -11.552
  111   2HD2  ASN  13          HD22      ASN  13  -4.259   1.121 -10.881
  Start of MODEL   22
    1   1H    GLU   1          HT1       GLU   1   2.522   6.341   6.818
    2   2H    GLU   1          HT2       GLU   1   3.765   7.118   5.926
    3   3H    GLU   1          HT3       GLU   1   3.454   5.447   5.692
    4    HA   GLU   1           HA       GLU   1   1.163   6.132   5.010
    5   1HB   GLU   1          HB2       GLU   1   0.964   8.426   4.210
    6   2HB   GLU   1          HB1       GLU   1   1.363   8.415   5.923
    7   1HG   GLU   1          HG2       GLU   1   3.587   9.069   5.515
    8   2HG   GLU   1          HG1       GLU   1   3.448   8.734   3.790
    9    H    LEU   2           HN       LEU   2   4.483   6.743   4.098
   10    HA   LEU   2           HA       LEU   2   3.879   5.704   1.413
   11   1HB   LEU   2          HB2       LEU   2   5.501   8.101   2.186
   12   2HB   LEU   2          HB1       LEU   2   5.894   7.214   0.725
   13    HG   LEU   2           HG       LEU   2   3.054   7.923   0.961
   14   1HD1  LEU   2          HD11      LEU   2   5.191  10.017   0.987
   15   2HD1  LEU   2          HD12      LEU   2   3.674   9.955   1.885
   16   3HD1  LEU   2          HD13      LEU   2   3.661  10.301   0.156
   17   1HD2  LEU   2          HD21      LEU   2   5.187   7.795  -1.101
   18   2HD2  LEU   2          HD22      LEU   2   3.814   8.862  -1.396
   19   3HD2  LEU   2          HD23      LEU   2   3.549   7.140  -1.121
   20    H    LEU   3           HN       LEU   3   4.707   4.162   3.600
   21    HA   LEU   3           HA       LEU   3   7.553   3.761   3.472
   22   1HB   LEU   3          HB2       LEU   3   5.468   3.044   5.226
   23   2HB   LEU   3          HB1       LEU   3   6.138   1.538   4.629
   24    HG   LEU   3           HG       LEU   3   8.058   3.592   5.589
   25   1HD1  LEU   3          HD11      LEU   3   7.750   2.604   7.917
   26   2HD1  LEU   3          HD12      LEU   3   6.167   2.069   7.353
   27   3HD1  LEU   3          HD13      LEU   3   6.559   3.788   7.379
   28   1HD2  LEU   3          HD21      LEU   3   9.267   1.773   5.035
   29   2HD2  LEU   3          HD22      LEU   3   7.900   0.675   5.220
   30   3HD2  LEU   3          HD23      LEU   3   8.792   1.219   6.641
   31    H    GLU   4           HN       GLU   4   8.302   1.383   3.175
   32    HA   GLU   4           HA       GLU   4   7.846   0.692   0.470
   33   1HB   GLU   4          HB2       GLU   4   9.146  -1.000   2.610
   34   2HB   GLU   4          HB1       GLU   4   9.346  -1.168   0.871
   35   1HG   GLU   4          HG2       GLU   4  10.271   1.206   0.920
   36   2HG   GLU   4          HG1       GLU   4  10.370   1.001   2.668
   37    H    LEU   5           HN       LEU   5   6.235  -0.168   3.376
   38    HA   LEU   5           HA       LEU   5   5.104  -2.604   2.298
   39   1HB   LEU   5          HB2       LEU   5   4.075  -2.912   4.406
   40   2HB   LEU   5          HB1       LEU   5   5.711  -2.351   4.701
   41    HG   LEU   5           HG       LEU   5   3.966  -0.101   4.547
   42   1HD1  LEU   5          HD11      LEU   5   2.158  -1.567   5.167
   43   2HD1  LEU   5          HD12      LEU   5   2.592  -0.562   6.550
   44   3HD1  LEU   5          HD13      LEU   5   3.114  -2.246   6.484
   45   1HD2  LEU   5          HD21      LEU   5   6.141  -0.170   5.671
   46   2HD2  LEU   5          HD22      LEU   5   5.485  -1.290   6.865
   47   3HD2  LEU   5          HD23      LEU   5   4.861   0.357   6.764
   48    H    ASP   6           HN       ASP   6   4.560   0.195   1.181
   49    HA   ASP   6           HA       ASP   6   1.739   0.560   1.646
   50   1HB   ASP   6          HB2       ASP   6   1.939   2.384  -0.006
   51   2HB   ASP   6          HB1       ASP   6   3.146   2.512   1.270
   52    H    LYS   7           HN       LYS   7   3.353  -1.695  -0.078
   53    HA   LYS   7           HA       LYS   7   2.122  -1.674  -2.596
   54   1HB   LYS   7          HB2       LYS   7   2.652  -4.168  -2.554
   55   2HB   LYS   7          HB1       LYS   7   4.007  -3.063  -2.368
   56   1HG   LYS   7          HG2       LYS   7   4.494  -3.824  -0.329
   57   2HG   LYS   7          HG1       LYS   7   2.801  -3.841   0.169
   58   1HD   LYS   7          HD2       LYS   7   2.446  -5.984  -0.697
   59   2HD   LYS   7          HD1       LYS   7   3.889  -5.911  -1.710
   60   1HE   LYS   7          HE2       LYS   7   3.810  -6.111   1.298
   61   2HE   LYS   7          HE1       LYS   7   4.263  -7.391   0.173
   62   1HZ   LYS   7          HZ1       LYS   7   5.776  -5.048   1.032
   63   2HZ   LYS   7          HZ2       LYS   7   5.980  -5.546  -0.571
   64   3HZ   LYS   7          HZ3       LYS   7   6.311  -6.617   0.694
   65    H    TRP   8           HN       TRP   8   0.855  -2.365   0.470
   66    HA   TRP   8           HA       TRP   8  -1.228  -4.144  -0.388
   67   1HB   TRP   8          HB2       TRP   8  -0.240  -3.088   2.123
   68   2HB   TRP   8          HB1       TRP   8  -1.998  -3.020   2.059
   69    HD1  TRP   8           HD1      TRP   8  -0.318  -5.889   0.235
   70    HE1  TRP   8           HE1      TRP   8  -0.775  -8.079   1.507
   71    HE3  TRP   8           HE3      TRP   8  -2.404  -3.944   4.479
   72    HZ2  TRP   8           HZ2      TRP   8  -1.874  -8.877   3.981
   73    HZ3  TRP   8           HZ3      TRP   8  -3.131  -5.489   6.250
   74    HH2  TRP   8           HH2      TRP   8  -2.872  -7.904   6.005
   75    H    ALA   9           HN       ALA   9  -0.751  -0.895  -0.844
   76    HA   ALA   9           HA       ALA   9  -3.515  -0.078  -0.525
   77   1HB   ALA   9          HB1       ALA   9  -1.642   1.713  -1.924
   78   2HB   ALA   9          HB2       ALA   9  -1.212   1.290  -0.267
   79   3HB   ALA   9          HB3       ALA   9  -2.769   2.045  -0.608
   80    H    SER  10           HN       SER  10  -2.507  -2.115  -2.612
   81    HA   SER  10           HA       SER  10  -3.172  -0.790  -5.103
   82   1HB   SER  10          HB2       SER  10  -1.413  -2.374  -5.292
   83   2HB   SER  10          HB1       SER  10  -2.324  -3.602  -4.414
   84    HG   SER  10           HG       SER  10  -2.378  -2.950  -7.066
   85    H    LEU  11           HN       LEU  11  -5.089  -1.619  -2.709
   86    HA   LEU  11           HA       LEU  11  -7.025  -3.229  -4.124
   87   1HB   LEU  11          HB2       LEU  11  -8.362  -3.036  -2.082
   88   2HB   LEU  11          HB1       LEU  11  -6.731  -3.598  -1.756
   89    HG   LEU  11           HG       LEU  11  -6.454  -0.906  -1.446
   90   1HD1  LEU  11          HD11      LEU  11  -8.766  -0.385  -1.646
   91   2HD1  LEU  11          HD12      LEU  11  -8.344  -0.255   0.061
   92   3HD1  LEU  11          HD13      LEU  11  -9.214  -1.671  -0.527
   93   1HD2  LEU  11          HD21      LEU  11  -5.479  -1.997   0.259
   94   2HD2  LEU  11          HD22      LEU  11  -6.724  -3.246   0.304
   95   3HD2  LEU  11          HD23      LEU  11  -7.003  -1.694   1.093
   96    H    TRP  12           HN       TRP  12  -6.207  -0.116  -4.453
   97    HA   TRP  12           HA       TRP  12  -8.913   0.629  -5.274
   98   1HB   TRP  12          HB2       TRP  12  -7.614   1.711  -2.997
   99   2HB   TRP  12          HB1       TRP  12  -7.608   2.963  -4.234
  100    HD1  TRP  12           HD1      TRP  12 -10.383   0.411  -3.286
  101    HE1  TRP  12           HE1      TRP  12 -12.547   1.733  -2.843
  102    HE3  TRP  12           HE3      TRP  12  -8.587   5.153  -3.939
  103    HZ2  TRP  12           HZ2      TRP  12 -13.381   4.429  -2.779
  104    HZ3  TRP  12           HZ3      TRP  12 -10.133   7.048  -3.669
  105    HH2  TRP  12           HH2      TRP  12 -12.481   6.692  -3.102
  106    H    ASN  13           HN       ASN  13  -6.532  -0.229  -6.716
  107    HA   ASN  13           HA       ASN  13  -6.314   2.073  -8.506
  108   1HB   ASN  13          HB2       ASN  13  -4.252   1.442  -6.779
  109   2HB   ASN  13          HB1       ASN  13  -3.781   0.626  -8.267
  110   1HD2  ASN  13          HD21      ASN  13  -4.901   2.412 -10.105
  111   2HD2  ASN  13          HD22      ASN  13  -4.013   3.892 -10.035
  Start of MODEL   23
    1   1H    GLU   1          HT1       GLU   1   5.505  10.068   6.459
    2   2H    GLU   1          HT2       GLU   1   6.969   9.200   6.676
    3   3H    GLU   1          HT3       GLU   1   6.033   9.660   8.038
    4    HA   GLU   1           HA       GLU   1   5.661   7.411   7.701
    5   1HB   GLU   1          HB2       GLU   1   3.647   9.432   7.363
    6   2HB   GLU   1          HB1       GLU   1   3.180   8.000   6.458
    7   1HG   GLU   1          HG2       GLU   1   3.253   6.643   8.403
    8   2HG   GLU   1          HG1       GLU   1   4.016   7.925   9.342
    9    H    LEU   2           HN       LEU   2   7.402   7.499   5.738
   10    HA   LEU   2           HA       LEU   2   6.053   6.758   3.246
   11   1HB   LEU   2          HB2       LEU   2   8.431   6.752   2.348
   12   2HB   LEU   2          HB1       LEU   2   7.762   8.304   2.816
   13    HG   LEU   2           HG       LEU   2   9.280   6.921   4.930
   14   1HD1  LEU   2          HD11      LEU   2  10.458   7.523   2.285
   15   2HD1  LEU   2          HD12      LEU   2  10.922   6.323   3.491
   16   3HD1  LEU   2          HD13      LEU   2  11.381   8.012   3.705
   17   1HD2  LEU   2          HD21      LEU   2   9.152   9.719   3.824
   18   2HD2  LEU   2          HD22      LEU   2  10.222   9.235   5.140
   19   3HD2  LEU   2          HD23      LEU   2   8.473   9.124   5.339
   20    H    LEU   3           HN       LEU   3   5.362   4.803   4.611
   21    HA   LEU   3           HA       LEU   3   7.313   2.783   5.135
   22   1HB   LEU   3          HB2       LEU   3   4.368   2.298   4.794
   23   2HB   LEU   3          HB1       LEU   3   5.508   1.409   5.785
   24    HG   LEU   3           HG       LEU   3   5.198   4.245   6.514
   25   1HD1  LEU   3          HD11      LEU   3   3.045   4.213   7.293
   26   2HD1  LEU   3          HD12      LEU   3   2.982   2.452   7.374
   27   3HD1  LEU   3          HD13      LEU   3   2.869   3.267   5.814
   28   1HD2  LEU   3          HD21      LEU   3   4.808   1.947   8.359
   29   2HD2  LEU   3          HD22      LEU   3   5.641   3.480   8.619
   30   3HD2  LEU   3          HD23      LEU   3   6.411   2.208   7.671
   31    H    GLU   4           HN       GLU   4   7.473   0.725   4.082
   32    HA   GLU   4           HA       GLU   4   7.267   0.965   1.198
   33   1HB   GLU   4          HB2       GLU   4   9.133  -0.173   2.853
   34   2HB   GLU   4          HB1       GLU   4   8.240  -1.580   2.292
   35   1HG   GLU   4          HG2       GLU   4   9.042  -1.422   0.203
   36   2HG   GLU   4          HG1       GLU   4   8.981   0.340   0.199
   37    H    LEU   5           HN       LEU   5   5.200  -0.037   3.566
   38    HA   LEU   5           HA       LEU   5   4.138  -2.348   2.189
   39   1HB   LEU   5          HB2       LEU   5   2.451  -2.337   4.020
   40   2HB   LEU   5          HB1       LEU   5   4.116  -2.483   4.556
   41    HG   LEU   5           HG       LEU   5   3.510   0.266   4.508
   42   1HD1  LEU   5          HD11      LEU   5   1.491  -1.169   6.196
   43   2HD1  LEU   5          HD12      LEU   5   1.120  -0.644   4.554
   44   3HD1  LEU   5          HD13      LEU   5   1.569   0.542   5.779
   45   1HD2  LEU   5          HD21      LEU   5   3.891  -1.716   6.742
   46   2HD2  LEU   5          HD22      LEU   5   3.828   0.031   6.977
   47   3HD2  LEU   5          HD23      LEU   5   5.113  -0.683   6.001
   48    H    ASP   6           HN       ASP   6   4.034   0.592   1.182
   49    HA   ASP   6           HA       ASP   6   1.220   1.141   1.037
   50   1HB   ASP   6          HB2       ASP   6   1.888   2.988  -0.456
   51   2HB   ASP   6          HB1       ASP   6   2.812   2.983   1.043
   52    H    LYS   7           HN       LYS   7   3.023  -1.164  -0.452
   53    HA   LYS   7           HA       LYS   7   2.070  -0.915  -3.138
   54   1HB   LYS   7          HB2       LYS   7   3.140  -3.414  -1.835
   55   2HB   LYS   7          HB1       LYS   7   3.133  -3.011  -3.546
   56   1HG   LYS   7          HG2       LYS   7   4.753  -1.250  -3.168
   57   2HG   LYS   7          HG1       LYS   7   4.722  -1.571  -1.433
   58   1HD   LYS   7          HD2       LYS   7   5.827  -3.601  -1.660
   59   2HD   LYS   7          HD1       LYS   7   5.394  -3.758  -3.364
   60   1HE   LYS   7          HE2       LYS   7   7.467  -3.034  -3.782
   61   2HE   LYS   7          HE1       LYS   7   6.859  -1.441  -3.333
   62   1HZ   LYS   7          HZ1       LYS   7   8.617  -1.585  -1.931
   63   2HZ   LYS   7          HZ2       LYS   7   8.566  -3.272  -1.828
   64   3HZ   LYS   7          HZ3       LYS   7   7.467  -2.338  -0.945
   65    H    TRP   8           HN       TRP   8   0.480  -1.684  -0.347
   66    HA   TRP   8           HA       TRP   8  -1.189  -3.787  -1.439
   67   1HB   TRP   8          HB2       TRP   8  -0.837  -2.494   1.207
   68   2HB   TRP   8          HB1       TRP   8  -2.439  -3.131   0.850
   69    HD1  TRP   8           HD1      TRP   8  -2.783  -5.637   1.303
   70    HE1  TRP   8           HE1      TRP   8  -1.241  -7.633   1.818
   71    HE3  TRP   8           HE3      TRP   8   1.745  -3.372   0.589
   72    HZ2  TRP   8           HZ2      TRP   8   1.528  -8.176   1.909
   73    HZ3  TRP   8           HZ3      TRP   8   3.792  -4.700   0.911
   74    HH2  TRP   8           HH2      TRP   8   3.684  -7.052   1.557
   75    H    ALA   9           HN       ALA   9  -1.071  -0.726  -2.253
   76    HA   ALA   9           HA       ALA   9  -3.816   0.070  -1.856
   77   1HB   ALA   9          HB1       ALA   9  -2.170   1.512  -3.831
   78   2HB   ALA   9          HB2       ALA   9  -1.559   1.491  -2.177
   79   3HB   ALA   9          HB3       ALA   9  -3.168   2.128  -2.514
   80    H    SER  10           HN       SER  10  -2.505  -2.176  -3.825
   81    HA   SER  10           HA       SER  10  -3.740  -1.497  -6.318
   82   1HB   SER  10          HB2       SER  10  -3.020  -3.691  -7.059
   83   2HB   SER  10          HB1       SER  10  -1.715  -2.937  -6.143
   84    HG   SER  10           HG       SER  10  -1.918  -4.404  -4.628
   85    H    LEU  11           HN       LEU  11  -5.019  -2.536  -3.424
   86    HA   LEU  11           HA       LEU  11  -7.006  -4.324  -4.478
   87   1HB   LEU  11          HB2       LEU  11  -7.954  -4.269  -2.216
   88   2HB   LEU  11          HB1       LEU  11  -6.243  -4.657  -2.220
   89    HG   LEU  11           HG       LEU  11  -6.132  -1.980  -1.894
   90   1HD1  LEU  11          HD11      LEU  11  -8.400  -1.480  -1.704
   91   2HD1  LEU  11          HD12      LEU  11  -7.846  -1.565  -0.032
   92   3HD1  LEU  11          HD13      LEU  11  -8.732  -2.917  -0.738
   93   1HD2  LEU  11          HD21      LEU  11  -5.497  -2.418   0.334
   94   2HD2  LEU  11          HD22      LEU  11  -5.089  -3.877  -0.569
   95   3HD2  LEU  11          HD23      LEU  11  -6.539  -3.838   0.434
   96    H    TRP  12           HN       TRP  12  -6.646  -1.088  -4.770
   97    HA   TRP  12           HA       TRP  12  -9.555  -0.624  -4.797
   98   1HB   TRP  12          HB2       TRP  12  -7.963   0.717  -3.181
   99   2HB   TRP  12          HB1       TRP  12  -7.607   1.642  -4.636
  100    HD1  TRP  12           HD1      TRP  12  -8.956   3.809  -4.535
  101    HE1  TRP  12           HE1      TRP  12 -11.373   4.455  -3.929
  102    HE3  TRP  12           HE3      TRP  12 -10.678  -0.776  -3.067
  103    HZ2  TRP  12           HZ2      TRP  12 -13.701   3.188  -2.958
  104    HZ3  TRP  12           HZ3      TRP  12 -13.012  -0.973  -2.313
  105    HH2  TRP  12           HH2      TRP  12 -14.491   0.969  -2.260
  106    H    ASN  13           HN       ASN  13  -7.809  -1.717  -6.915
  107    HA   ASN  13           HA       ASN  13  -7.543  -1.546  -9.165
  108   1HB   ASN  13          HB2       ASN  13 -10.050  -0.592  -8.655
  109   2HB   ASN  13          HB1       ASN  13  -9.332   0.769  -9.512
  110   1HD2  ASN  13          HD21      ASN  13 -11.464  -1.011 -10.344
  111   2HD2  ASN  13          HD22      ASN  13 -10.941  -1.740 -11.821
  Start of MODEL   24
    1   1H    GLU   1          HT1       GLU   1   3.566  10.061   3.643
    2   2H    GLU   1          HT2       GLU   1   5.099   9.363   3.973
    3   3H    GLU   1          HT3       GLU   1   4.064   9.818   5.264
    4    HA   GLU   1           HA       GLU   1   3.854   7.558   5.137
    5   1HB   GLU   1          HB2       GLU   1   1.751   9.224   4.785
    6   2HB   GLU   1          HB1       GLU   1   1.565   8.199   3.369
    7   1HG   GLU   1          HG2       GLU   1   0.865   6.455   4.573
    8   2HG   GLU   1          HG1       GLU   1   2.062   6.723   5.840
    9    H    LEU   2           HN       LEU   2   5.540   6.655   3.890
   10    HA   LEU   2           HA       LEU   2   4.643   5.665   1.287
   11   1HB   LEU   2          HB2       LEU   2   6.347   7.730   1.320
   12   2HB   LEU   2          HB1       LEU   2   7.504   6.425   1.498
   13    HG   LEU   2           HG       LEU   2   5.698   5.766  -0.624
   14   1HD1  LEU   2          HD11      LEU   2   5.243   8.104  -0.892
   15   2HD1  LEU   2          HD12      LEU   2   6.326   7.590  -2.185
   16   3HD1  LEU   2          HD13      LEU   2   6.960   8.495  -0.810
   17   1HD2  LEU   2          HD21      LEU   2   7.905   5.950  -1.918
   18   2HD2  LEU   2          HD22      LEU   2   7.810   4.773  -0.607
   19   3HD2  LEU   2          HD23      LEU   2   8.635   6.311  -0.353
   20    H    LEU   3           HN       LEU   3   4.557   4.230   3.610
   21    HA   LEU   3           HA       LEU   3   6.839   2.755   4.267
   22   1HB   LEU   3          HB2       LEU   3   3.976   2.595   4.763
   23   2HB   LEU   3          HB1       LEU   3   4.714   1.009   4.640
   24    HG   LEU   3           HG       LEU   3   6.266   1.542   6.426
   25   1HD1  LEU   3          HD11      LEU   3   6.584   3.905   5.978
   26   2HD1  LEU   3          HD12      LEU   3   6.095   3.657   7.654
   27   3HD1  LEU   3          HD13      LEU   3   4.925   4.241   6.472
   28   1HD2  LEU   3          HD21      LEU   3   3.342   1.891   6.857
   29   2HD2  LEU   3          HD22      LEU   3   4.436   2.154   8.214
   30   3HD2  LEU   3          HD23      LEU   3   4.416   0.596   7.387
   31    H    GLU   4           HN       GLU   4   6.880   0.266   3.939
   32    HA   GLU   4           HA       GLU   4   7.026  -0.168   1.075
   33   1HB   GLU   4          HB2       GLU   4   8.857  -0.829   2.678
   34   2HB   GLU   4          HB1       GLU   4   7.784  -2.084   3.282
   35   1HG   GLU   4          HG2       GLU   4   8.803  -3.362   1.759
   36   2HG   GLU   4          HG1       GLU   4   7.698  -2.583   0.627
   37    H    LEU   5           HN       LEU   5   5.105  -1.198   3.800
   38    HA   LEU   5           HA       LEU   5   3.799  -3.292   2.291
   39   1HB   LEU   5          HB2       LEU   5   2.621  -3.817   4.289
   40   2HB   LEU   5          HB1       LEU   5   4.301  -3.532   4.709
   41    HG   LEU   5           HG       LEU   5   2.771  -1.101   4.892
   42   1HD1  LEU   5          HD11      LEU   5   1.218  -1.606   6.568
   43   2HD1  LEU   5          HD12      LEU   5   1.903  -3.208   6.842
   44   3HD1  LEU   5          HD13      LEU   5   0.997  -2.877   5.365
   45   1HD2  LEU   5          HD21      LEU   5   4.530  -2.738   6.674
   46   2HD2  LEU   5          HD22      LEU   5   3.649  -1.349   7.310
   47   3HD2  LEU   5          HD23      LEU   5   4.809  -1.133   5.999
   48    H    ASP   6           HN       ASP   6   3.562  -0.128   2.016
   49    HA   ASP   6           HA       ASP   6   0.681   0.139   2.147
   50   1HB   ASP   6          HB2       ASP   6   2.856   2.068   1.328
   51   2HB   ASP   6          HB1       ASP   6   1.141   2.468   1.324
   52    H    LYS   7           HN       LYS   7   2.997  -0.821  -0.130
   53    HA   LYS   7           HA       LYS   7   1.804   0.080  -2.510
   54   1HB   LYS   7          HB2       LYS   7   4.137  -1.106  -1.959
   55   2HB   LYS   7          HB1       LYS   7   3.241  -2.514  -2.514
   56   1HG   LYS   7          HG2       LYS   7   3.509  -1.921  -4.624
   57   2HG   LYS   7          HG1       LYS   7   2.818  -0.329  -4.309
   58   1HD   LYS   7          HD2       LYS   7   4.913   0.603  -3.800
   59   2HD   LYS   7          HD1       LYS   7   5.662  -0.982  -3.598
   60   1HE   LYS   7          HE2       LYS   7   6.362   0.043  -5.691
   61   2HE   LYS   7          HE1       LYS   7   5.407  -1.407  -5.994
   62   1HZ   LYS   7          HZ1       LYS   7   3.486  -0.009  -6.431
   63   2HZ   LYS   7          HZ2       LYS   7   4.764   0.399  -7.461
   64   3HZ   LYS   7          HZ3       LYS   7   4.401   1.384  -6.135
   65    H    TRP   8           HN       TRP   8   1.038  -2.465  -0.364
   66    HA   TRP   8           HA       TRP   8  -0.522  -3.996  -2.225
   67   1HB   TRP   8          HB2       TRP   8   0.563  -5.064  -0.290
   68   2HB   TRP   8          HB1       TRP   8  -0.441  -4.110   0.796
   69    HD1  TRP   8           HD1      TRP   8  -0.605  -7.097  -1.586
   70    HE1  TRP   8           HE1      TRP   8  -2.778  -8.397  -1.126
   71    HE3  TRP   8           HE3      TRP   8  -2.824  -3.844   1.675
   72    HZ2  TRP   8           HZ2      TRP   8  -5.123  -8.085   0.414
   73    HZ3  TRP   8           HZ3      TRP   8  -5.032  -4.419   2.595
   74    HH2  TRP   8           HH2      TRP   8  -6.157  -6.496   1.977
   75    H    ALA   9           HN       ALA   9  -1.029  -1.124  -0.578
   76    HA   ALA   9           HA       ALA   9  -3.887  -1.458  -0.217
   77   1HB   ALA   9          HB1       ALA   9  -3.840   0.814   0.660
   78   2HB   ALA   9          HB2       ALA   9  -2.154   0.980   0.170
   79   3HB   ALA   9          HB3       ALA   9  -2.598  -0.179   1.422
   80    H    SER  10           HN       SER  10  -1.701  -0.231  -2.598
   81    HA   SER  10           HA       SER  10  -3.726   1.348  -3.942
   82   1HB   SER  10          HB2       SER  10  -1.710   1.358  -5.703
   83   2HB   SER  10          HB1       SER  10  -1.733   2.411  -4.288
   84    HG   SER  10           HG       SER  10   0.194   1.453  -4.133
   85    H    LEU  11           HN       LEU  11  -3.481  -1.823  -3.691
   86    HA   LEU  11           HA       LEU  11  -3.598  -2.544  -6.493
   87   1HB   LEU  11          HB2       LEU  11  -4.303  -4.409  -4.266
   88   2HB   LEU  11          HB1       LEU  11  -3.562  -4.767  -5.813
   89    HG   LEU  11           HG       LEU  11  -2.192  -3.336  -3.536
   90   1HD1  LEU  11          HD11      LEU  11  -2.471  -5.556  -2.824
   91   2HD1  LEU  11          HD12      LEU  11  -0.843  -5.492  -3.500
   92   3HD1  LEU  11          HD13      LEU  11  -2.159  -6.201  -4.436
   93   1HD2  LEU  11          HD21      LEU  11  -1.394  -4.061  -6.315
   94   2HD2  LEU  11          HD22      LEU  11  -0.180  -4.089  -5.035
   95   3HD2  LEU  11          HD23      LEU  11  -1.054  -2.599  -5.389
   96    H    TRP  12           HN       TRP  12  -5.745  -1.246  -4.347
   97    HA   TRP  12           HA       TRP  12  -8.037  -2.450  -5.750
   98   1HB   TRP  12          HB2       TRP  12  -7.577  -2.631  -3.071
   99   2HB   TRP  12          HB1       TRP  12  -8.578  -1.184  -3.145
  100    HD1  TRP  12           HD1      TRP  12 -10.969  -1.869  -2.562
  101    HE1  TRP  12           HE1      TRP  12 -12.556  -3.785  -3.224
  102    HE3  TRP  12           HE3      TRP  12  -7.772  -4.608  -5.462
  103    HZ2  TRP  12           HZ2      TRP  12 -12.465  -6.144  -4.771
  104    HZ3  TRP  12           HZ3      TRP  12  -8.600  -6.682  -6.497
  105    HH2  TRP  12           HH2      TRP  12 -10.898  -7.433  -6.156
  106    H    ASN  13           HN       ASN  13  -6.260   0.342  -5.367
  107    HA   ASN  13           HA       ASN  13  -8.441   2.223  -5.498
  108   1HB   ASN  13          HB2       ASN  13  -6.174   2.670  -4.430
  109   2HB   ASN  13          HB1       ASN  13  -5.532   2.789  -6.066
  110   1HD2  ASN  13          HD21      ASN  13  -6.590   4.551  -3.559
  111   2HD2  ASN  13          HD22      ASN  13  -7.138   5.966  -4.385
  Start of MODEL   25
    1   1H    GLU   1          HT1       GLU   1   6.050  10.226   4.674
    2   2H    GLU   1          HT2       GLU   1   4.361  10.497   4.524
    3   3H    GLU   1          HT3       GLU   1   5.192   9.570   3.343
    4    HA   GLU   1           HA       GLU   1   4.933   8.839   6.180
    5   1HB   GLU   1          HB2       GLU   1   2.919   8.914   4.327
    6   2HB   GLU   1          HB1       GLU   1   3.533   7.281   4.112
    7   1HG   GLU   1          HG2       GLU   1   1.856   7.036   5.691
    8   2HG   GLU   1          HG1       GLU   1   3.331   7.076   6.656
    9    H    LEU   2           HN       LEU   2   5.429   7.599   2.869
   10    HA   LEU   2           HA       LEU   2   6.816   6.005   2.031
   11   1HB   LEU   2          HB2       LEU   2   8.372   7.171   4.282
   12   2HB   LEU   2          HB1       LEU   2   8.967   5.684   3.570
   13    HG   LEU   2           HG       LEU   2  10.003   7.727   2.617
   14   1HD1  LEU   2          HD11      LEU   2  10.276   6.056   1.113
   15   2HD1  LEU   2          HD12      LEU   2   9.209   7.082   0.156
   16   3HD1  LEU   2          HD13      LEU   2   8.552   5.698   1.028
   17   1HD2  LEU   2          HD21      LEU   2   7.489   8.294   1.130
   18   2HD2  LEU   2          HD22      LEU   2   8.835   9.363   1.525
   19   3HD2  LEU   2          HD23      LEU   2   7.664   8.923   2.768
   20    H    LEU   3           HN       LEU   3   4.756   4.844   3.125
   21    HA   LEU   3           HA       LEU   3   5.523   2.972   5.193
   22   1HB   LEU   3          HB2       LEU   3   3.060   3.934   4.023
   23   2HB   LEU   3          HB1       LEU   3   3.062   2.182   4.111
   24    HG   LEU   3           HG       LEU   3   2.034   3.023   6.098
   25   1HD1  LEU   3          HD11      LEU   3   3.145   1.742   7.613
   26   2HD1  LEU   3          HD12      LEU   3   4.724   2.393   7.175
   27   3HD1  LEU   3          HD13      LEU   3   3.949   1.193   6.142
   28   1HD2  LEU   3          HD21      LEU   3   4.483   4.490   6.944
   29   2HD2  LEU   3          HD22      LEU   3   2.799   4.743   7.405
   30   3HD2  LEU   3          HD23      LEU   3   3.368   5.266   5.820
   31    H    GLU   4           HN       GLU   4   5.470   0.684   4.949
   32    HA   GLU   4           HA       GLU   4   6.533  -0.178   2.398
   33   1HB   GLU   4          HB2       GLU   4   6.892  -0.943   5.082
   34   2HB   GLU   4          HB1       GLU   4   6.160  -2.327   4.283
   35   1HG   GLU   4          HG2       GLU   4   8.288  -1.155   2.704
   36   2HG   GLU   4          HG1       GLU   4   8.836  -1.654   4.304
   37    H    LEU   5           HN       LEU   5   3.475  -0.034   3.812
   38    HA   LEU   5           HA       LEU   5   2.438  -2.411   2.529
   39   1HB   LEU   5          HB2       LEU   5   0.379  -1.933   3.592
   40   2HB   LEU   5          HB1       LEU   5   1.651  -1.627   4.762
   41    HG   LEU   5           HG       LEU   5   1.097   0.779   3.334
   42   1HD1  LEU   5          HD11      LEU   5  -1.146   1.115   3.492
   43   2HD1  LEU   5          HD12      LEU   5  -1.329   0.004   4.850
   44   3HD1  LEU   5          HD13      LEU   5  -1.150  -0.626   3.212
   45   1HD2  LEU   5          HD21      LEU   5   2.125   0.620   5.550
   46   2HD2  LEU   5          HD22      LEU   5   0.608   0.008   6.207
   47   3HD2  LEU   5          HD23      LEU   5   0.694   1.651   5.571
   48    H    ASP   6           HN       ASP   6   3.484   0.130   1.080
   49    HA   ASP   6           HA       ASP   6   1.254   1.238  -0.262
   50   1HB   ASP   6          HB2       ASP   6   4.188   1.177  -0.968
   51   2HB   ASP   6          HB1       ASP   6   2.984   2.071  -1.891
   52    H    LYS   7           HN       LYS   7   2.733  -1.778  -0.540
   53    HA   LYS   7           HA       LYS   7   2.330  -2.192  -3.331
   54   1HB   LYS   7          HB2       LYS   7   4.019  -3.477  -2.182
   55   2HB   LYS   7          HB1       LYS   7   2.826  -4.112  -1.058
   56   1HG   LYS   7          HG2       LYS   7   2.364  -5.797  -2.409
   57   2HG   LYS   7          HG1       LYS   7   2.040  -4.697  -3.750
   58   1HD   LYS   7          HD2       LYS   7   4.267  -4.751  -4.480
   59   2HD   LYS   7          HD1       LYS   7   4.845  -5.406  -2.947
   60   1HE   LYS   7          HE2       LYS   7   2.896  -7.168  -4.116
   61   2HE   LYS   7          HE1       LYS   7   4.178  -6.821  -5.275
   62   1HZ   LYS   7          HZ1       LYS   7   4.904  -7.527  -2.520
   63   2HZ   LYS   7          HZ2       LYS   7   5.759  -7.787  -3.956
   64   3HZ   LYS   7          HZ3       LYS   7   4.426  -8.758  -3.578
   65    H    TRP   8           HN       TRP   8   0.370  -2.381  -0.539
   66    HA   TRP   8           HA       TRP   8  -1.641  -4.061  -1.780
   67   1HB   TRP   8          HB2       TRP   8  -1.284  -2.828   0.921
   68   2HB   TRP   8          HB1       TRP   8  -2.892  -3.341   0.422
   69    HD1  TRP   8           HD1      TRP   8   0.446  -4.690   1.586
   70    HE1  TRP   8           HE1      TRP   8   0.260  -7.234   1.927
   71    HE3  TRP   8           HE3      TRP   8  -4.147  -5.459  -0.523
   72    HZ2  TRP   8           HZ2      TRP   8  -1.588  -9.295   1.374
   73    HZ3  TRP   8           HZ3      TRP   8  -5.052  -7.747  -0.578
   74    HH2  TRP   8           HH2      TRP   8  -3.797  -9.624   0.351
   75    H    ALA   9           HN       ALA   9  -0.814  -0.866  -2.011
   76    HA   ALA   9           HA       ALA   9  -3.384   0.364  -1.934
   77   1HB   ALA   9          HB1       ALA   9  -2.311   2.320  -2.724
   78   2HB   ALA   9          HB2       ALA   9  -0.965   1.398  -3.393
   79   3HB   ALA   9          HB3       ALA   9  -1.164   1.527  -1.645
   80    H    SER  10           HN       SER  10  -1.232  -0.558  -4.627
   81    HA   SER  10           HA       SER  10  -2.976   0.128  -6.693
   82   1HB   SER  10          HB2       SER  10  -1.249  -2.227  -7.158
   83   2HB   SER  10          HB1       SER  10  -1.395  -0.735  -8.086
   84    HG   SER  10           HG       SER  10   0.193  -1.299  -5.847
   85    H    LEU  11           HN       LEU  11  -2.939  -2.592  -4.594
   86    HA   LEU  11           HA       LEU  11  -4.735  -4.154  -6.252
   87   1HB   LEU  11          HB2       LEU  11  -4.097  -4.840  -3.414
   88   2HB   LEU  11          HB1       LEU  11  -4.420  -5.909  -4.766
   89    HG   LEU  11           HG       LEU  11  -1.905  -4.268  -4.475
   90   1HD1  LEU  11          HD11      LEU  11  -2.683  -6.882  -3.377
   91   2HD1  LEU  11          HD12      LEU  11  -1.440  -5.749  -2.848
   92   3HD1  LEU  11          HD13      LEU  11  -1.122  -6.839  -4.197
   93   1HD2  LEU  11          HD21      LEU  11  -1.053  -5.679  -6.252
   94   2HD2  LEU  11          HD22      LEU  11  -2.522  -4.859  -6.781
   95   3HD2  LEU  11          HD23      LEU  11  -2.581  -6.559  -6.316
   96    H    TRP  12           HN       TRP  12  -5.123  -1.566  -4.274
   97    HA   TRP  12           HA       TRP  12  -7.954  -1.960  -4.079
   98   1HB   TRP  12          HB2       TRP  12  -7.248  -3.209  -2.094
   99   2HB   TRP  12          HB1       TRP  12  -6.331  -1.816  -1.528
  100    HD1  TRP  12           HD1      TRP  12  -7.580  -0.852   0.483
  101    HE1  TRP  12           HE1      TRP  12 -10.027  -0.273   1.033
  102    HE3  TRP  12           HE3      TRP  12  -9.808  -2.609  -3.771
  103    HZ2  TRP  12           HZ2      TRP  12 -12.565  -0.527  -0.176
  104    HZ3  TRP  12           HZ3      TRP  12 -12.249  -2.403  -3.995
  105    HH2  TRP  12           HH2      TRP  12 -13.598  -1.383  -2.234
  106    H    ASN  13           HN       ASN  13  -7.946  -0.064  -5.331
  107    HA   ASN  13           HA       ASN  13  -7.845   2.361  -3.764
  108   1HB   ASN  13          HB2       ASN  13  -5.516   1.779  -4.959
  109   2HB   ASN  13          HB1       ASN  13  -6.323   2.572  -6.308
  110   1HD2  ASN  13          HD21      ASN  13  -6.265   3.132  -2.804
  111   2HD2  ASN  13          HD22      ASN  13  -5.794   4.791  -2.907