*HEADER    DE NOVO PROTEIN                         03-AUG-08   2K76              
*TITLE     SOLUTION STRUCTURE OF A PARALOG-SPECIFIC MENA BINDER BY NMR           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PGOLEMI;                                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: SOLID-PHASE PEPTIDE SYNTHESIS. THE ORIGINAL           
*SOURCE   4 SEQUENCE COMES FROM MELEAGRIS GALLOPAVO (WILD TURKEY)                
*KEYWDS    PROTEIN DESIGN, MINIATURE PROTEIN, APP, BETA-HAIRPIN, ACTA            
*KEYWDS   2 HOMOLOG, DE NOVO PROTEIN                                             
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    N.M.LINK, C.HUNKE, J.EICHLER, P.BAYER                                 
*REVDAT   1   16-JUN-09 2K76    0                                                


!NOE restraints
assign (resid  10 and  name    HA) (resid  10 and  name   HB1) 2.7 0.8 0.8
assign (resid  10 and  name    HA) (resid  10 and  name   HB2) 3.0 0.9 0.9
assign (resid  10 and  name    HA) (resid  10 and  name    HN) 2.7 0.8 0.8
assign (resid 10 and name HA) (resid 11 and name HB*) 4.1 1.2 1.2
assign (resid 10 and name HA) (resid 11 and name HN) 3.4 1.0 1.0
assign (resid  10 and  name   HB2) (resid  10 and  name    HN) 2.8 0.8 0.8
assign (resid  10 and  name   HB*) (resid  10 and  name    HA) 2.7 0.8 0.8
assign (resid  10 and  name    HN) (resid  10 and  name   HB1) 2.9 0.9 0.9
assign (resid 10 and name HN) (resid 11 and name HB*) 4.6 1.1 1.1 
assign (resid 10 and name HN) (resid 11 and name HN) 3.0 0.9 0.9
assign (resid  11 and  name    HA) (resid  11 and  name   HB*) 2.3 0.7 0.7
assign (resid 11 and name HA) (resid 12 and name HD*) 2.7 0.8 0.8
assign (resid 11 and name HB*) (resid 12 and name HD*) 3.6 1.3 1.2 
assign (resid  11 and  name   HB*) (resid  13 and  name    HN) 6.0 1.5 1.5 
assign (resid  11 and  name   HB*) (resid  15 and  name    HN) 5.0 1.0 1.0 
assign (resid  11 and  name    HN) (resid  11 and  name    HA) 3.6 1.1 1.1 
assign (resid  11 and  name    HN) (resid  11 and  name   HB*) 2.6 0.8 0.8 
assign (resid  12 and  name    HA) (resid  12 and  name   HB2) 2.5 0.7 0.7
assign (resid  12 and  name    HA) (resid  12 and  name   HD*) 3.2 1.0 1.0
assign (resid  12 and  name    HA) (resid  12 and  name   HG*) 2.8 0.9 0.9
assign (resid  12 and  name    HA) (resid  13 and  name    HN) 2.5 0.7 0.7
assign (resid 12 and name HB1) (resid 14 and name HN) 2.9 0.9 1.1 
assign (resid  12 and  name   HB*) (resid  12 and  name    HA) 3.6 1.1 1.1
assign (resid  12 and  name   HB*) (resid  12 and  name    HA) 3.8 1.2 1.2
assign (resid  12 and  name   HB*) (resid  12 and  name   HD*) 3.1 0.9 0.9
assign (resid 12 and name HB*) (resid 13 and name HN) 2.5 0.8 0.8
assign (resid  12 and  name   HD1) (resid  12 and  name   HB2) 3.4 1.0 1.2 
assign (resid  12 and  name   HD*) (resid  12 and  name   HG*) 2.4 0.7 0.7
assign (resid  12 and  name   HG*) (resid  12 and  name   HB*) 3.4 1.0 1.0
assign (resid  13 and  name    HA) (resid  13 and  name  HG**) 2.7 0.8 0.8
assign (resid 13 and name HA) (resid 14 and name HN) 3.3 1.0 1.0
assign (resid  13 and  name    HB) (resid  13 and  name    HA) 2.6 0.8 0.8
assign (resid  13 and  name    HB) (resid  13 and  name  HG1*) 2.6 0.8 0.8
assign (resid  13 and  name    HB) (resid  13 and  name  HG2*) 2.5 0.8 0.8
assign (resid  13 and  name    HB) (resid  13 and  name    HN) 2.5 0.9 1.0 
assign (resid  13 and  name  HG1*) (resid  14 and  name    HN) 4.0 0.9 0.9 
assign (resid  13 and  name  HG**) (resid  13 and  name    HB) 2.4 0.7 0.7
assign (resid  13 and  name    HN) (resid  13 and  name    HA) 2.9 0.9 0.9
assign (resid  13 and  name    HN) (resid  13 and  name  HG1*) 2.9 0.9 0.9
assign (resid  13 and  name    HN) (resid  13 and  name  HG2*) 4.0 0.9 0.9 
assign (resid 13 and name HN) (resid 14 and name HN) 3.4 1.0 1.0
assign (resid  13 and  name    HN) (resid  16 and  name    HN) 4.3 1.2 1.2 
assign (resid  14 and  name    HA) (resid  14 and  name   HG*) 2.7 0.8 0.8
assign (resid 14 and name HA) (resid 17 and name HB) 3.5 0.9 0.9 
assign (resid 14 and name HA) (resid 17 and name HD1*) 2.8 0.9 0.9
assign (resid 14 and name HA) (resid 17 and name HG11) 4.0 1.1 1.1 
assign (resid  14 and  name    HA) (resid  17 and  name    HN) 3.5 1.0 1.0
assign (resid  14 and  name    HA) (resid  18 and  name    HN) 3.9 1.2 1.2
assign (resid  14 and  name   HB*) (resid  14 and  name    HA) 2.4 0.7 0.7
assign (resid  14 and  name   HB*) (resid  14 and  name   HG*) 2.3 0.7 0.7
assign (resid  14 and  name   HB*) (resid  14 and  name    HN) 2.7 0.8 0.8
assign (resid  14 and  name   HG*) (resid  14 and  name    HN) 3.4 1.0 1.0
assign (resid  14 and  name    HN) (resid  14 and  name    HA) 3.0 0.9 0.9
assign (resid 14 and name HN) (resid 15 and name HA) 3.8 1.2 1.3 
assign (resid  14 and  name    HN) (resid  15 and  name    HN) 3.0 0.9 0.9
assign (resid  14 and  name    HN) (resid  17 and  name    HB) 4.5 1.3 1.3
assign (resid  14 and  name    HN) (resid  18 and  name    HN) 5.5 1.6 1.6
assign (resid  15 and  name    HA) (resid  15 and  name   HB*) 2.9 0.9 0.9
assign (resid  15 and  name    HA) (resid  15 and  name    HN) 2.8 0.8 0.8
assign (resid  15 and  name    HA) (resid  18 and  name    HN) 3.7 1.0 1.0 
assign (resid  15 and  name    HA) (resid  19 and  name    HN) 4.0 1.2 1.2
assign (resid  15 and  name   HB*) (resid  15 and  name    HN) 2.6 0.8 0.8
assign (resid  15 and  name    HN) (resid  15 and  name   HB1) 3.1 0.9 0.9
assign (resid  15 and  name    HN) (resid  15 and  name   HB2) 2.7 0.8 0.8
assign (resid  16 and  name    HA) (resid  16 and  name   HB*) 2.4 0.7 0.7
assign (resid  16 and  name    HA) (resid  16 and  name    HN) 2.9 0.9 0.9
assign (resid  16 and  name    HA) (resid  19 and  name   HD1) 3.9 1.3 1.3 
assign (resid  16 and  name   HB*) (resid  16 and  name    HN) 2.5 0.8 0.8
assign (resid  16 and  name    HG) (resid  16 and  name    HA) 2.7 0.8 0.8
assign (resid 16 and name HN) (resid 17 and name HN) 2.9 0.9 0.9
assign (resid 16 and name HN) (resid 19 and name HB1) 5.3 1.2 1.5 
assign (resid  17 and  name    HA) (resid  18 and  name    HN) 3.4 1.0 1.0
assign (resid  17 and  name    HA) (resid  19 and  name    HN) 4.2 1.2 1.4
assign (resid 17 and name HA) (resid 20 and name HB1) 3.4 1.1 1.1 
assign (resid  17 and  name    HA) (resid  20 and  name   HB2) 2.7 1.0 1.1 
assign (resid 17 and name HA) (resid 20 and name HD2) 3.7 1.3 1.5 
assign (resid 17 and name HA) (resid 20 and name HN) 3.5 1.0 1.0 
assign (resid  17 and  name    HA) (resid  21 and  name    HN) 4.0 1.0 1.2
assign (resid  17 and  name    HB) (resid  17 and  name    HA) 2.8 0.8 0.8
assign (resid  17 and  name  HD1*) (resid  17 and  name    HA) 4.5 1.2 1.3 
assign (resid  17 and  name  HD1*) (resid  17 and  name    HB) 2.6 0.7 1.2 
assign (resid  17 and  name  HD1*) (resid  17 and  name    HN) 3.9 1.0 1.2 
assign (resid  17 and  name  HG1*) (resid  17 and  name    HA) 2.8 0.8 0.8
assign (resid  17 and  name  HG1*) (resid  17 and  name    HB) 2.8 0.8 0.8
assign (resid  17 and  name  HG1*) (resid  17 and  name    HN) 3.2 1.0 1.2 
assign (resid  17 and  name  HG1*) (resid  18 and  name    HN) 4.2 1.3 1.3
assign (resid  17 and  name  HG2*) (resid  17 and  name    HA) 2.7 0.8 1.0
assign (resid  17 and  name  HG2*) (resid  17 and  name    HB) 2.3 0.7 0.7
assign (resid  17 and  name  HG2*) (resid  17 and  name    HN) 4.2 1.3 1.3 
assign (resid  17 and  name  HG2*) (resid  18 and  name    HE) 5.9 0.9 0.9 
assign (resid  17 and  name    HN) (resid  17 and  name    HA) 3.1 0.9 0.9
assign (resid  17 and  name    HN) (resid  17 and  name    HB) 2.7 0.8 0.8
assign (resid  17 and  name    HN) (resid  18 and  name    HN) 3.1 0.9 0.9
assign (resid  17 and  name    HN) (resid  19 and  name    HN) 4.2 1.3 1.3
assign (resid  18 and  name    HA) (resid  18 and  name    HE) 4.8 1.6 1.6 
assign (resid  18 and  name    HA) (resid  18 and  name   HG2) 2.9 0.9 1.0
assign (resid  18 and  name    HA) (resid  18 and  name    HN) 2.7 0.8 0.8
assign (resid  18 and  name    HA) (resid  21 and  name   HB1) 2.9 0.9 0.9 
assign (resid  18 and  name    HA) (resid  21 and  name    HN) 3.9 1.1 1.1 
assign (resid  18 and  name    HA) (resid  22 and  name    HN) 4.2 1.1 1.4 
assign (resid  18 and  name   HB*) (resid  18 and  name    HA) 2.6 0.8 0.8
assign (resid  18 and  name   HB*) (resid  18 and  name   HD*) 2.8 0.8 0.8
assign (resid  18 and  name   HB*) (resid  18 and  name    HN) 2.5 0.8 0.8
assign (resid  18 and  name   HD*) (resid  18 and  name    HA) 3.4 1.0 1.3 
assign (resid  18 and  name   HD*) (resid  18 and  name    HE) 3.1 0.9 0.9
assign (resid  18 and  name   HD*) (resid  18 and  name    HN) 4.2 1.4 1.4 
assign (resid  18 and  name    HE) (resid  18 and  name    HN) 3.8 1.0 1.3
assign (resid 18 and name HE) (resid 21 and name HA) 6.0 1.1 1.1 
assign (resid 18 and name HE) (resid 21 and name HN) 6.0 1.3 1.3 
assign (resid  18 and  name   HG*) (resid  18 and  name    HA) 3.1 0.9 0.9
assign (resid  18 and  name   HG*) (resid  18 and  name   HD*) 2.5 0.7 0.7
assign (resid  18 and  name   HG*) (resid  18 and  name    HN) 3.0 1.1 1.5 
assign (resid  18 and  name   HG*) (resid  19 and  name    HN) 4.6 1.0 1.0 
assign (resid 18 and name HN) (resid 19 and name HB2) 4.5 1.4 1.4 
assign (resid  18 and  name    HN) (resid  19 and  name    HN) 3.0 0.9 0.9
assign (resid  18 and  name    HN) (resid  21 and  name    HN) 4.0 1.0 1.0 
assign (resid  19 and  name    HA) (resid  19 and  name   HB*) 2.8 0.8 0.8
assign (resid  19 and  name    HA) (resid  19 and  name   HD*) 2.6 0.8 0.8
assign (resid  19 and  name    HA) (resid  19 and  name    HN) 2.9 0.9 0.9
assign (resid  19 and  name    HA) (resid  20 and  name    HN) 4.2 1.3 1.3
assign (resid 19 and name HA) (resid 22 and name HN) 4.2 1.3 1.3
assign (resid  19 and  name   HB*) (resid  19 and  name   HD*) 2.6 0.8 0.8
assign (resid 19 and name HD1) (resid 20 and name HN) 3.5 1.1 1.1 
assign (resid  19 and  name   HD1) (resid  21 and  name    HN) 4.3 1.3 1.3 
assign (resid 19 and name HD1) (resid 23 and name HG) 6.7 1.3 1.4 
assign (resid 19 and name HD2) (resid 22 and name HB2) 4.1 1.0 1.5 
assign (resid  19 and  name   HD*) (resid  19 and  name   HB1) 2.6 0.8 0.8
assign (resid  19 and  name   HD*) (resid  19 and  name   HB2) 2.7 0.8 0.8
assign (resid  19 and  name   HD*) (resid  19 and  name    HN) 3.2 1.0 1.0
assign (resid  19 and  name    HN) (resid  19 and  name   HB1) 2.8 0.8 0.8
assign (resid  19 and  name    HN) (resid  19 and  name   HB*) 2.8 0.8 0.8
assign (resid 19 and name HN) (resid 20 and name HN) 3.2 1.0 1.0
assign (resid 19 and name HN) (resid 21 and name HD22) 4.6 1.4 1.4
assign (resid  19 and  name    HN) (resid  21 and  name    HN) 4.8 1.4 1.4
assign (resid   1 and  name    HA) (resid   1 and  name   HB*) 2.6 0.8 0.8
assign (resid 20 and name HA) (resid 23 and name HN) 3.6 1.2 1.3 
assign (resid  20 and  name   HB1) (resid  20 and  name   HD*) 2.7 0.8 0.8
assign (resid 20 and name HB1) (resid 21 and name HN) 3.0 1.0 1.0 
assign (resid  20 and  name   HB2) (resid  20 and  name   HB1) 2.4 0.7 0.7
assign (resid  20 and  name   HB2) (resid  20 and  name   HD*) 2.7 0.8 0.8
assign (resid  20 and  name   HB2) (resid  20 and  name    HN) 2.9 0.9 0.9
assign (resid  20 and  name   HB2) (resid  21 and  name    HN) 3.9 0.9 0.9 
assign (resid  20 and  name   HB*) (resid  20 and  name    HA) 2.7 0.8 0.8
assign (resid 20 and name HD1) (resid 24 and name HA) 6.5 1.3 2.1 
assign (resid 20 and name HD2) (resid 21 and name HA) 3.5 1.0 1.2 
assign (resid 20 and name HD2) (resid 21 and name HB1) 4.3 1.3 1.4
assign (resid 20 and name HD2) (resid 21 and name HN) 3.4 1.2 1.2 
assign (resid  20 and  name   HD*) (resid  20 and  name    HA) 2.8 0.8 0.8
assign (resid  20 and  name   HE*) (resid  20 and  name   HD*) 2.3 0.7 0.7
assign (resid  20 and  name   HE*) (resid  20 and  name    HN) 5.4 1.6 1.6
assign (resid  20 and  name    HN) (resid  20 and  name    HA) 3.3 1.0 1.0
assign (resid  20 and  name    HN) (resid  20 and  name   HB1) 3.0 0.9 0.9
assign (resid  20 and  name    HN) (resid  20 and  name   HD*) 3.4 1.0 1.0
assign (resid  21 and  name    HA) (resid  21 and  name   HB1) 2.8 0.9 0.9
assign (resid  21 and  name    HA) (resid  21 and  name   HB2) 2.8 0.8 0.8
assign (resid  21 and  name   HB1) (resid  21 and  name   HB2) 2.2 0.7 0.7
assign (resid  21 and  name   HB1) (resid  21 and  name    HN) 2.9 0.9 0.9
assign (resid  21 and  name   HB2) (resid  21 and  name    HN) 2.7 0.8 0.8
assign (resid 21 and name HB2) (resid 22 and name HN) 3.1 0.9 0.9
assign (resid  21 and  name  HD22) (resid  21 and  name    HN) 4.0 1.0 1.2 
assign (resid  21 and  name    HN) (resid  21 and  name    HA) 2.9 0.9 0.9
assign (resid  21 and  name    HN) (resid  21 and  name  HD21) 3.9 1.2 1.2
assign (resid 21 and name HN) (resid 22 and name HN) 2.9 0.9 0.9
assign (resid  22 and  name    HA) (resid  22 and  name    HN) 2.6 0.8 0.8
assign (resid  22 and  name    HA) (resid  23 and  name    HN) 3.7 1.3 1.3 
assign (resid  22 and  name    HA) (resid  25 and  name    HN) 3.4 1.0 1.2 
assign (resid  22 and  name    HA) (resid  26 and  name    HN) 4.2 1.2 1.5 
assign (resid  22 and  name   HB1) (resid  22 and  name    HN) 3.0 0.9 0.9
assign (resid  22 and  name   HB1) (resid  23 and  name    HN) 4.4 1.3 1.3
assign (resid  22 and  name   HB2) (resid  22 and  name    HN) 2.6 0.8 0.8
assign (resid  22 and  name   HB2) (resid  23 and  name    HN) 3.5 1.0 1.0
assign (resid 22 and name HN) (resid 23 and name HB*) 4.8 1.1 1.1 
assign (resid 22 and name HN) (resid 23 and name HN) 3.3 1.0 1.0
assign (resid  22 and  name    HN) (resid  25 and  name    HN) 5.3 1.6 1.6
assign (resid  23 and  name    HA) (resid  23 and  name    HN) 3.5 1.0 1.0
assign (resid  23 and  name    HA) (resid  24 and  name    HN) 3.8 1.1 1.1
assign (resid  23 and  name    HA) (resid  26 and  name   HD1) 3.9 1.3 1.7 
assign (resid  23 and  name    HA) (resid  26 and  name    HN) 3.2 1.0 1.0
assign (resid  23 and  name   HB*) (resid  23 and  name    HA) 2.6 0.8 0.8
assign (resid  23 and  name   HB*) (resid  24 and  name   HB*) 5.2 0.9 0.9 
assign (resid  23 and  name  HD1*) (resid  23 and  name   HB*) 3.1 1.0 1.1 
assign (resid  23 and  name  HD**) (resid  23 and  name    HN) 4.5 1.3 1.5 
assign (resid  23 and  name    HG) (resid  23 and  name    HN) 4.5 1.5 1.5 
assign (resid  23 and  name    HG) (resid  24 and  name    HN) 3.9 1.2 1.2
assign (resid  23 and  name    HG) (resid  26 and  name   HD*) 4.5 1.3 1.3 
assign (resid  23 and  name    HN) (resid  23 and  name   HB*) 2.9 0.9 0.9
assign (resid  23 and  name    HN) (resid  24 and  name    HN) 3.4 1.0 1.0
assign (resid  23 and  name    HN) (resid  26 and  name    HN) 4.7 1.4 1.4
assign (resid  24 and  name    HA) (resid  24 and  name   HG*) 3.1 0.9 0.9
assign (resid  24 and  name    HA) (resid  24 and  name    HN) 3.3 1.0 1.0
assign (resid  24 and  name    HA) (resid  25 and  name    HN) 3.8 1.2 1.2
assign (resid  24 and  name    HA) (resid  26 and  name    HN) 4.6 1.4 1.4
assign (resid  24 and  name    HA) (resid  28 and  name  HD21) 5.2 1.6 1.6
assign (resid  24 and  name    HA) (resid  28 and  name    HN) 4.4 1.3 1.3
assign (resid  24 and  name   HB1) (resid  24 and  name    HA) 3.0 0.9 0.9
assign (resid  24 and  name   HB1) (resid  24 and  name    HN) 2.9 0.9 0.9
assign (resid  24 and  name   HB2) (resid  24 and  name    HA) 3.1 0.9 0.9
assign (resid  24 and  name   HB2) (resid  24 and  name    HN) 2.9 0.9 0.9
assign (resid  24 and  name   HG*) (resid  28 and  name  HD21) 4.9 1.2 1.5 
assign (resid  24 and  name    HN) (resid  24 and  name   HG*) 3.4 1.0 1.0
assign (resid  24 and  name    HN) (resid  25 and  name    HN) 3.3 1.0 1.0
assign (resid  25 and  name    HA) (resid  26 and  name    HN) 3.2 1.0 1.0
assign (resid  25 and  name    HA) (resid  28 and  name   HB2) 3.0 1.0 1.5 
assign (resid  25 and  name    HA) (resid  28 and  name  HD21) 5.4 1.6 1.9
assign (resid  25 and  name    HA) (resid  28 and  name    HN) 3.3 1.0 1.0
assign (resid  25 and  name   HB*) (resid  25 and  name    HA) 2.5 0.8 0.8
assign (resid  25 and  name   HB*) (resid  25 and  name    HN) 2.4 0.7 0.7
assign (resid  25 and  name   HG*) (resid  25 and  name    HN) 4.0 1.2 1.3 
assign (resid  25 and  name   HG*) (resid  26 and  name    HN) 3.7 1.1 1.1
assign (resid  25 and  name   HG*) (resid  28 and  name  HD21) 5.0 1.7 2.1 
assign (resid  25 and  name    HN) (resid  25 and  name    HA) 2.9 0.9 0.9
assign (resid  25 and  name    HN) (resid  26 and  name    HN) 3.0 0.9 0.9
assign (resid 25 and name HN) (resid 27 and name HN) 4.7 1.4 1.4
assign (resid  26 and  name    HA) (resid  26 and  name   HD*) 2.7 0.8 1.3 
assign (resid  26 and  name    HA) (resid  26 and  name   HE*) 5.3 1.2 1.2 
assign (resid  26 and  name    HA) (resid  26 and  name    HN) 2.9 0.9 0.9
assign (resid  26 and  name    HA) (resid  27 and  name    HN) 4.3 1.3 1.3
assign (resid  26 and  name    HA) (resid  28 and  name    HN) 4.3 1.3 1.3
assign (resid  26 and  name   HB*) (resid  26 and  name    HA) 2.9 0.9 0.9
assign (resid  26 and  name   HB*) (resid  26 and  name   HD*) 2.3 0.7 0.7
assign (resid  26 and  name   HB*) (resid  26 and  name   HE*) 4.5 1.1 1.5 
assign (resid  26 and  name   HB*) (resid  26 and  name    HN) 2.4 0.7 0.7
assign (resid  26 and  name   HB*) (resid  27 and  name    HN) 2.9 0.9 0.9
assign (resid 26 and name HD1) (resid 27 and name HB*) 5.0 0.8 1.2 
assign (resid 26 and name HD1) (resid 27 and name HD2*) 4.0 1.2 1.5
assign (resid 26 and name HD1) (resid 27 and name HG) 3.5 1.2 1.2 
assign (resid 26 and name HD1) (resid 27 and name HN) 3.3 1.0 1.0 
assign (resid  26 and  name   HD*) (resid  26 and  name   HE*) 2.2 0.7 0.7
assign (resid  26 and  name   HD*) (resid  27 and  name    HA) 3.5 1.1 1.1
assign (resid  26 and  name   HD*) (resid  27 and  name   HB2) 4.5 0.8 1.2
assign (resid 26 and name HE1) (resid 27 and name HA) 4.2 1.2 1.2 
assign (resid  26 and  name   HE1) (resid  27 and  name   HB1) 5.5 1.1 1.5 
assign (resid  26 and  name   HE1) (resid  27 and  name   HB2) 5.5 1.1 1.5 
assign (resid  26 and  name   HE*) (resid  26 and  name    HN) 5.1 1.5 1.8 
assign (resid  26 and  name    HN) (resid  26 and  name   HB1) 2.7 0.8 0.8
assign (resid  26 and  name    HN) (resid  26 and  name   HD*) 3.3 1.0 1.0
assign (resid 26 and name HN) (resid 27 and name HA) 4.9 1.5 1.5
assign (resid 26 and name HN) (resid 27 and name HB*) 5.0 1.1 1.1 
assign (resid 26 and name HN) (resid 27 and name HD2*) 6.0 1.3 1.3 
assign (resid 26 and name HN) (resid 27 and name HG) 4.8 1.4 1.4
assign (resid 26 and name HN) (resid 27 and name HN) 3.1 0.9 0.9
assign (resid 26 and name HN) (resid 29 and name HG1*) 5.0 1.1 1.3 
assign (resid 27 and name HA) (resid 28 and name HA) 4.3 0.7 0.7 
assign (resid 27 and name HA) (resid 28 and name HN) 3.7 1.1 1.1
assign (resid 27 and name HA) (resid 30 and name HN) 4.9 1.5 1.5
assign (resid  27 and  name   HB1) (resid  27 and  name    HA) 3.0 0.9 0.9
assign (resid  27 and  name   HB1) (resid  27 and  name    HN) 2.9 0.9 0.9
assign (resid  27 and  name   HB1) (resid  28 and  name    HN) 3.1 0.9 0.9
assign (resid  27 and  name   HB2) (resid  27 and  name    HA) 3.3 1.0 1.0
assign (resid 27 and name HB2) (resid 28 and name HN) 3.2 1.0 1.0
assign (resid  27 and  name  HD1*) (resid  27 and  name    HA) 3.7 0.7 1.0 
assign (resid  27 and  name  HD1*) (resid  27 and  name   HB1) 3.3 0.7 1.0 
assign (resid  27 and  name  HD1*) (resid  27 and  name   HB2) 2.7 0.7 1.1 
assign (resid  27 and  name  HD1*) (resid  27 and  name    HN) 3.8 1.0 1.0 
assign (resid  27 and  name  HD1*) (resid  28 and  name    HN) 5.0 1.1 1.1 
assign (resid  27 and  name  HD2*) (resid  27 and  name    HA) 2.7 0.8 0.8
assign (resid  27 and  name  HD2*) (resid  27 and  name   HB1) 2.7 0.9 1.0 
assign (resid  27 and  name  HD2*) (resid  27 and  name   HB2) 3.3 1.1 1.3 
assign (resid  27 and  name  HD2*) (resid  27 and  name    HN) 3.8 1.1 1.1
assign (resid  27 and  name  HD2*) (resid  28 and  name    HN) 5.0 1.1 1.1 
assign (resid  27 and  name    HG) (resid  27 and  name    HA) 2.9 0.9 0.9
assign (resid  27 and  name    HG) (resid  27 and  name   HB1) 2.4 0.7 0.7
assign (resid  27 and  name    HG) (resid  27 and  name   HB2) 3.1 0.9 0.9
assign (resid  27 and  name    HG) (resid  27 and  name    HN) 3.2 0.9 0.9
assign (resid  27 and  name    HG) (resid  28 and  name    HN) 4.0 1.0 1.0 
assign (resid  27 and  name    HN) (resid  27 and  name    HA) 3.2 1.0 1.0
assign (resid  27 and  name    HN) (resid  27 and  name   HB2) 2.8 0.8 0.8
assign (resid 27 and name HN) (resid 28 and name HN) 3.2 1.0 1.0
assign (resid  27 and  name    HN) (resid  29 and  name    HN) 4.7 1.4 1.4
assign (resid  27 and  name    HN) (resid  30 and  name    HA) 4.9 1.0 1.0 
assign (resid  28 and  name    HA) (resid  28 and  name   HB*) 2.2 0.7 0.7
assign (resid  28 and  name    HA) (resid  28 and  name  HD21) 3.4 1.0 1.0
assign (resid  28 and  name    HA) (resid  28 and  name    HN) 2.8 0.8 0.8
assign (resid  28 and  name    HA) (resid  29 and  name    HN) 3.2 1.0 1.0
assign (resid  28 and  name   HB*) (resid  28 and  name  HD21) 2.8 0.8 0.8
assign (resid  28 and  name   HB*) (resid  28 and  name    HN) 2.5 0.8 0.8
assign (resid  28 and  name   HB*) (resid  29 and  name    HA) 4.0 1.1 1.1 
assign (resid 28 and name HD21) (resid 29 and name HG2*) 6.5 1.3 1.5 
assign (resid 28 and name HD21) (resid 30 and name HG2*) 5.5 1.6 1.6
assign (resid  28 and  name    HN) (resid  28 and  name   HB1) 2.6 0.8 1.0 
assign (resid 28 and name HN) (resid 29 and name HA) 4.2 1.3 1.3
assign (resid 28 and name HN) (resid 29 and name HG2*) 4.0 1.1 1.1 
assign (resid 28 and name HN) (resid 29 and name HN) 3.0 0.9 0.9
assign (resid  29 and  name    HA) (resid  29 and  name    HN) 2.9 0.9 0.9
assign (resid  29 and  name    HB) (resid  29 and  name    HA) 2.8 0.8 0.8
assign (resid  29 and  name    HB) (resid  29 and  name  HG1*) 2.4 0.7 0.7
assign (resid  29 and  name    HB) (resid  29 and  name  HG2*) 2.5 0.7 0.7
assign (resid  29 and  name    HB) (resid  29 and  name    HN) 2.7 0.8 0.8
assign (resid  29 and  name  HG2*) (resid  29 and  name    HN) 2.9 1.0 1.3 
assign (resid  29 and  name  HG**) (resid  29 and  name    HA) 2.3 0.7 0.7
assign (resid  29 and  name  HG**) (resid  29 and  name    HB) 2.3 0.7 0.7
assign (resid  29 and  name    HN) (resid  30 and  name    HB) 3.9 1.3 1.3 
assign (resid 29 and name HN) (resid 30 and name HN) 3.3 1.0 1.0
assign (resid   2 and  name    HA) (resid  26 and  name   HD2) 4.5 1.4 1.4 
assign (resid   2 and  name    HA) (resid  26 and  name   HE2) 3.6 1.2 1.2 
assign (resid   2 and  name    HA) (resid   2 and  name   HB1) 3.2 1.0 1.0 
assign (resid   2 and  name    HA) (resid   2 and  name   HB2) 3.4 1.0 1.0
assign (resid   2 and  name    HA) (resid   2 and  name   HD*) 3.3 1.0 1.0
assign (resid   2 and  name    HA) (resid   2 and  name    HN) 3.3 1.0 1.0
assign (resid   2 and  name    HA) (resid   3 and  name   HD2) 2.7 0.8 0.8
assign (resid   2 and  name    HA) (resid   3 and  name   HD*) 2.8 0.8 0.8
assign (resid   2 and  name   HB1) (resid   2 and  name   HB2) 2.3 0.7 0.7
assign (resid   2 and  name   HB1) (resid   3 and  name   HD1) 3.7 1.0 1.0 
assign (resid 2 and name HB1) (resid 3 and name HD2) 4.0 1.2 1.2
assign (resid   2 and  name   HB2) (resid   2 and  name   HD*) 3.0 0.9 0.9
assign (resid   2 and  name   HB2) (resid   3 and  name   HD1) 3.2 1.0 1.2
assign (resid   2 and  name   HB2) (resid   3 and  name   HD2) 3.6 1.1 1.1
assign (resid   2 and  name   HB*) (resid   2 and  name    HN) 3.0 0.9 0.9
assign (resid   2 and  name   HD*) (resid   2 and  name    HN) 4.4 1.3 1.3
assign (resid 2 and name HD*) (resid 3 and name HB*) 5.2 1.7 1.7 
assign (resid 2 and name HD*) (resid 3 and name HD1) 3.7 1.5 1.5 
assign (resid 2 and name HD*) (resid 3 and name HD2) 3.9 1.3 1.5
assign (resid   2 and  name   HE*) (resid   2 and  name    HN) 3.8 1.1 1.1
assign (resid 2 and name HN) (resid 26 and name HD2) 5.0 1.0 1.2 
assign (resid   2 and  name    HN) (resid   2 and  name   HB1) 3.2 1.0 1.0
assign (resid   2 and  name    HN) (resid   2 and  name   HB2) 3.5 1.0 1.0
assign (resid   2 and  name    HN) (resid   3 and  name   HD1) 4.5 1.4 1.4
assign (resid 2 and name HN) (resid 3 and name HD2) 4.8 1.2 1.2 
assign (resid  30 and  name    HB) (resid  30 and  name    HA) 2.5 0.8 0.8
assign (resid  30 and  name    HB) (resid  30 and  name    HN) 2.8 0.9 0.9
assign (resid  30 and  name  HG2*) (resid  30 and  name    HN) 2.7 0.8 0.8 
assign (resid  30 and  name  HG**) (resid  30 and  name    HA) 2.5 0.8 0.8
assign (resid  30 and  name    HN) (resid  30 and  name    HA) 2.8 0.8 0.8
assign (resid   3 and  name   HB1) (resid   3 and  name   HD1) 3.3 1.0 1.0
assign (resid   3 and  name   HB1) (resid   3 and  name   HD2) 2.7 1.2 1.2
assign (resid   3 and  name   HB2) (resid   3 and  name   HD2) 3.1 0.9 0.9
assign (resid   3 and  name   HD1) (resid  26 and  name   HE2) 4.2 1.1 1.1 
assign (resid   3 and  name   HD2) (resid   3 and  name   HD1) 2.4 0.7 0.7
assign (resid   3 and  name   HG*) (resid   3 and  name   HD1) 3.1 0.9 0.9
assign (resid   3 and  name   HG*) (resid   3 and  name   HD2) 3.2 1.0 1.0
assign (resid   4 and  name    HA) (resid   4 and  name   HB*) 2.5 0.7 0.7
assign (resid   4 and  name   HB1) (resid  22 and  name    HN) 4.0 1.1 1.1 
assign (resid   4 and  name   HB*) (resid  19 and  name   HD2) 3.7 1.0 1.2 
assign (resid 4 and name HB*) (resid 23 and name HD1*) 5.7 1.2 1.7 
assign (resid   4 and  name   HB*) (resid   5 and  name    HN) 3.3 1.0 1.0
assign (resid 4 and name HG*) (resid 23 and name HN) 4.0 1.2 1.4 
assign (resid   4 and  name   HG*) (resid   4 and  name    HA) 3.7 1.1 1.1
assign (resid   4 and  name   HG*) (resid   4 and  name   HB*) 1.9 0.6 0.6
assign (resid   5 and  name    HA) (resid   5 and  name    HB) 2.4 0.7 0.7
assign (resid   5 and  name    HA) (resid   5 and  name    HN) 2.4 0.7 0.7
assign (resid   5 and  name    HB) (resid   5 and  name    HN) 2.7 0.9 1.0 
assign (resid   5 and  name   HG1) (resid   5 and  name    HA) 3.4 1.0 1.0
assign (resid   5 and  name   HG1) (resid   5 and  name    HB) 2.4 0.7 0.7
assign (resid   5 and  name   HG1) (resid   5 and  name    HN) 3.3 1.0 1.0
assign (resid   5 and  name   HG2*) (resid   6 and  name    HA) 4.7 1.5 1.5 
assign (resid   5 and  name    HN) (resid  19 and  name   HD2) 3.9 1.2 1.2 
assign (resid 5 and name HN) (resid 6 and name HD*) 3.9 1.2 1.2
assign (resid 6 and name HA) (resid 19 and name HD2) 3.4 1.0 1.5 
assign (resid   6 and  name   HB*) (resid   6 and  name    HA) 3.6 1.1 1.1
assign (resid   6 and  name   HD1) (resid   6 and  name    HA) 2.4 0.8 1.0 
assign (resid   6 and  name   HG*) (resid   6 and  name    HA) 2.9 0.9 0.9
assign (resid 7 and name HA) (resid 11 and name HB*) 4.3 1.3 1.3
assign (resid   7 and  name    HA) (resid   7 and  name   HD*) 3.9 1.2 1.2
assign (resid 7 and name HB*) (resid 11 and name HB*) 2.7 0.8 0.8
assign (resid 7 and name HB*) (resid 15 and name HB*) 4.0 1.2 1.5 
assign (resid   7 and  name   HB*) (resid   7 and  name    HA) 2.8 0.8 0.8
assign (resid   7 and  name   HB*) (resid   7 and  name   HD*) 3.0 0.8 0.8 
assign (resid   7 and  name   HB*) (resid   7 and  name   HG*) 2.0 0.6 0.6
assign (resid   7 and  name   HG2) (resid   7 and  name    HA) 3.1 0.9 0.9
assign (resid 7 and name HG*) (resid 11 and name HB*) 3.8 0.7 1.0 
assign (resid 7 and name HG*) (resid 15 and name HB*) 4.1 1.3 1.5 
assign (resid   7 and  name   HG*) (resid   7 and  name   HD*) 2.8 0.8 0.8
assign (resid   8 and  name   HA1) (resid   9 and  name    HN) 2.5 0.8 0.8
assign (resid   8 and  name   HA2) (resid  10 and  name    HN) 3.6 1.2 1.2
assign (resid   8 and  name   HA2) (resid   9 and  name    HN) 2.8 0.8 0.8
assign (resid   8 and  name   HA*) (resid   8 and  name    HN) 2.6 0.8 0.8
assign (resid 8 and name HA*) (resid 9 and name HN) 3.1 0.9 0.9
assign (resid 8 and name HN) (resid 11 and name HB*) 3.2 1.0 1.0
assign (resid   9 and  name    HA) (resid  10 and  name    HN) 2.7 0.8 0.8
assign (resid   9 and  name   HB*) (resid   9 and  name    HA) 3.0 0.9 0.9
assign (resid   9 and  name   HG*) (resid   9 and  name    HA) 2.6 0.8 0.8
assign (resid   9 and  name   HG*) (resid   9 and  name   HB*) 2.3 0.7 0.7
assign (resid   9 and  name    HN) (resid  10 and  name    HN) 3.2 1.0 1.0 
assign (resid   9 and  name    HN) (resid   9 and  name    HA) 3.1 0.9 0.9
!Hydrogen bridges restraints
assign (resid 17 and name N) (resid 13 and name O) 2.85 0.45 0.45
assign (resid 17 and name HN) (resid 13 and name O) 1.8 0.4 0.5
assign (resid 18 and name N) (resid 14 and name O) 2.85 0.45 0.45
assign (resid 18 and name HN) (resid 14 and name O) 1.8 0.4 0.5
assign (resid 19 and name N) (resid 15 and name O) 2.85 0.45 0.45
assign (resid 19 and name HN) (resid 15 and name O) 1.8 0.4 0.5
assign (resid 20 and name N) (resid 16 and name O) 2.85 0.45 0.45
assign (resid 20 and name HN) (resid 16 and name O) 1.8 0.4 0.5
assign (resid 21 and name N) (resid 17 and name O) 2.85 0.45 0.45
assign (resid 21 and name HN) (resid 17 and name O) 1.8 0.4 0.5
assign (resid 22 and name N) (resid 18 and name O) 2.85 0.45 0.45
assign (resid 22 and name HN) (resid 18 and name O) 1.8 0.4 0.5
assign (resid 23 and name N) (resid 19 and name O) 2.85 0.45 0.45
assign (resid 23 and name HN) (resid 19 and name O) 1.8 0.4 0.5
assign (resid 24 and name N) (resid 20 and name O) 2.85 0.45 0.45
assign (resid 24 and name HN) (resid 20 and name O) 1.8 0.4 0.5
assign (resid 25 and name N) (resid 21 and name O) 2.85 0.45 0.45
assign (resid 25 and name HN) (resid 21 and name O) 1.8 0.4 0.5
assign (resid 26 and name N) (resid 22 and name O) 2.85 0.45 0.45
assign (resid 26 and name HN) (resid 22 and name O) 1.8 0.4 0.5
assign (resid 27 and name N) (resid 23 and name O) 2.85 0.45 0.45
assign (resid 27 and name HN) (resid 23 and name O) 1.8 0.4 0.5
assign (resid 28 and name N) (resid 24 and name O) 2.85 0.45 0.45
assign (resid 28 and name HN) (resid 24 and name O) 1.8 0.4 0.5
assign (resid 29 and name N) (resid 25 and name O) 2.85 0.45 0.45
assign (resid 29 and name HN) (resid 25 and name O) 1.8 0.4 0.5!dihedral restraints

! 1. F 2 Phi -107.00 +/- 52.00 (-159.00 to -55.00)

assign (resid   1 and name  C) (resid   2 and name  N) 
       (resid   2 and name CA) (resid   2 and name  C) 1.0  -107.00    52.00 2

! 2. P 4 Phi -67.00 +/- 14.00 (-81.00 to -53.00)

assign (resid   3 and name  C) (resid   4 and name  N) 
       (resid   4 and name CA) (resid   4 and name  C) 1.0   -67.00    14.00 2

! 3. T 5 Phi -100.00 +/- 26.00 (-126.00 to -74.00)

assign (resid   4 and name  C) (resid   5 and name  N) 
       (resid   5 and name CA) (resid   5 and name  C) 1.0  -100.00    26.00 2

! 4. P 6 Phi -70.00 +/- 16.00 (-86.00 to -54.00)

assign (resid   5 and name  C) (resid   6 and name  N) 
       (resid   6 and name CA) (resid   6 and name  C) 1.0   -70.00    16.00 2

! 5. E 9 Phi -65.00 +/- 8.00 (-73.00 to -57.00)

assign (resid   8 and name  C) (resid   9 and name  N) 
       (resid   9 and name CA) (resid   9 and name  C) 1.0   -65.00     8.00 2

! 6. E 10 Phi -65.00 +/- 18.00 (-83.00 to -47.00)

assign (resid   9 and name  C) (resid  10 and name  N) 
       (resid  10 and name CA) (resid  10 and name  C) 1.0   -65.00    18.00 2

! 7. A 11 Phi -103.00 +/- 86.00 (-189.00 to -17.00)

assign (resid  10 and name  C) (resid  11 and name  N) 
       (resid  11 and name CA) (resid  11 and name  C) 1.0  -103.00    86.00 2

! 8. P 12 Phi -58.00 +/- 14.00 (-72.00 to -44.00)

assign (resid  11 and name  C) (resid  12 and name  N) 
       (resid  12 and name CA) (resid  12 and name  C) 1.0   -58.00    14.00 2

! 9. V 13 Phi -51.00 +/- 14.00 (-65.00 to -37.00)

assign (resid  12 and name  C) (resid  13 and name  N) 
       (resid  13 and name CA) (resid  13 and name  C) 1.0   -51.00    14.00 2

! 10. E 14 Phi -61.00 +/- 8.00 (-69.00 to -53.00)

assign (resid  13 and name  C) (resid  14 and name  N) 
       (resid  14 and name CA) (resid  14 and name  C) 1.0   -61.00     8.00 2

! 11. D 15 Phi -67.95 +/- 16.52 (-84.47 to -51.43)

assign (resid  14 and name  C) (resid  15 and name  N) 
       (resid  15 and name CA) (resid  15 and name  C) 1.0   -67.95    16.52 2

! 12. L 16 Phi -65.63 +/- 10.18 (-75.81 to -55.45)

assign (resid  15 and name  C) (resid  16 and name  N) 
       (resid  16 and name CA) (resid  16 and name  C) 1.0   -65.63    10.18 2

! 13. I 17 Phi -63.69 +/- 11.16 (-74.85 to -52.53)

assign (resid  16 and name  C) (resid  17 and name  N) 
       (resid  17 and name CA) (resid  17 and name  C) 1.0   -63.69    11.16 2

! 14. R 18 Phi -63.32 +/- 7.86 (-71.18 to -55.46)

assign (resid  17 and name  C) (resid  18 and name  N) 
       (resid  18 and name CA) (resid  18 and name  C) 1.0   -63.32     7.86 2

! 15. F 19 Phi -63.29 +/- 8.30 (-71.59 to -54.99)

assign (resid  18 and name  C) (resid  19 and name  N) 
       (resid  19 and name CA) (resid  19 and name  C) 1.0   -63.29     8.30 2

! 16. Y 20 Phi -63.74 +/- 5.92 (-69.66 to -57.82)

assign (resid  19 and name  C) (resid  20 and name  N) 
       (resid  20 and name CA) (resid  20 and name  C) 1.0   -63.74     5.92 2

! 17. N 21 Phi -58.08 +/- 10.76 (-68.84 to -47.32)

assign (resid  20 and name  C) (resid  21 and name  N) 
       (resid  21 and name CA) (resid  21 and name  C) 1.0   -58.08    10.76 2

! 18. D 22 Phi -67.45 +/- 28.00 (-95.45 to -39.45)

assign (resid  21 and name  C) (resid  22 and name  N) 
       (resid  22 and name CA) (resid  22 and name  C) 1.0   -67.45    28.00 2

! 19. L 23 Phi -60.39 +/- 9.78 (-70.17 to -50.61)

assign (resid  22 and name  C) (resid  23 and name  N) 
       (resid  23 and name CA) (resid  23 and name  C) 1.0   -60.39     9.78 2

! 20. Q 24 Phi -61.99 +/- 7.60 (-69.59 to -54.39)

assign (resid  23 and name  C) (resid  24 and name  N) 
       (resid  24 and name CA) (resid  24 and name  C) 1.0   -61.99     7.60 2

! 21. Q 25 Phi -62.51 +/- 8.12 (-70.63 to -54.39)

assign (resid  24 and name  C) (resid  25 and name  N) 
       (resid  25 and name CA) (resid  25 and name  C) 1.0   -62.51     8.12 2

! 22. Y 26 Phi -63.01 +/- 7.16 (-70.17 to -55.85)

assign (resid  25 and name  C) (resid  26 and name  N) 
       (resid  26 and name CA) (resid  26 and name  C) 1.0   -63.01     7.16 2

! 23. L 27 Phi -60.82 +/- 17.06 (-77.88 to -43.76)

assign (resid  26 and name  C) (resid  27 and name  N) 
       (resid  27 and name CA) (resid  27 and name  C) 1.0   -60.82    17.06 2

! 24. N 28 Phi -66.00 +/- 12.00 (-78.00 to -54.00)

assign (resid  27 and name  C) (resid  28 and name  N) 
       (resid  28 and name CA) (resid  28 and name  C) 1.0   -66.00    12.00 2

! 25. V 29 Phi -68.00 +/- 18.00 (-86.00 to -50.00)

assign (resid  28 and name  C) (resid  29 and name  N) 
       (resid  29 and name CA) (resid  29 and name  C) 1.0   -68.00    18.00 2


! 26. F 2 Psi 132.00 +/- 60.00 (72.00 to 192.00)

assign (resid   2 and name  N) (resid   2 and name CA) 
       (resid   2 and name  C) (resid   3 and name  N) 1.0   132.00    60.00 2

! 27. P 4 Psi 145.00 +/- 24.00 (121.00 to 169.00)

assign (resid   4 and name  N) (resid   4 and name CA) 
       (resid   4 and name  C) (resid   5 and name  N) 1.0   145.00    24.00 2

! 28. T 5 Psi 136.00 +/- 56.00 (80.00 to 192.00)

assign (resid   5 and name  N) (resid   5 and name CA) 
       (resid   5 and name  C) (resid   6 and name  N) 1.0   136.00    56.00 2

! 29. P 6 Psi 161.00 +/- 8.00 (153.00 to 169.00)

assign (resid   6 and name  N) (resid   6 and name CA) 
       (resid   6 and name  C) (resid   7 and name  N) 1.0   161.00     8.00 2

! 30. E 9 Psi -41.00 +/- 12.00 (-53.00 to -29.00)

assign (resid   9 and name  N) (resid   9 and name CA) 
       (resid   9 and name  C) (resid  10 and name  N) 1.0   -41.00    12.00 2

! 31. E 10 Psi -39.00 +/- 36.00 (-75.00 to -3.00)

!assign (resid  10 and name  N) (resid  10 and name CA) 
       !(resid  10 and name  C) (resid  11 and name  N) 1.0   -39.00    36.00 2

! 32. A 11 Psi 142.00 +/- 38.00 (104.00 to 180.00)

assign (resid  11 and name  N) (resid  11 and name CA) 
       (resid  11 and name  C) (resid  12 and name  N) 1.0   142.00    38.00 2

! 33. P 12 Psi 143.00 +/- 18.00 (125.00 to 161.00)

assign (resid  12 and name  N) (resid  12 and name CA) 
       (resid  12 and name  C) (resid  13 and name  N) 1.0   143.00    18.00 2

! 34. V 13 Psi -36.00 +/- 22.00 (-58.00 to -14.00)

assign (resid  13 and name  N) (resid  13 and name CA) 
       (resid  13 and name  C) (resid  14 and name  N) 1.0   -36.00    22.00 2

! 35. E 14 Psi -38.00 +/- 12.00 (-50.00 to -26.00)

assign (resid  14 and name  N) (resid  14 and name CA) 
       (resid  14 and name  C) (resid  15 and name  N) 1.0   -38.00    12.00 2

! 36. D 15 Psi -30.03 +/- 42.84 (-72.87 to 12.81)

assign (resid  15 and name  N) (resid  15 and name CA) 
       (resid  15 and name  C) (resid  16 and name  N) 1.0   -30.03    42.84 2

! 37. L 16 Psi -40.58 +/- 11.08 (-51.66 to -29.50)

assign (resid  16 and name  N) (resid  16 and name CA) 
       (resid  16 and name  C) (resid  17 and name  N) 1.0   -40.58    11.08 2

! 38. I 17 Psi -41.51 +/- 12.02 (-53.53 to -29.49)

assign (resid  17 and name  N) (resid  17 and name CA) 
       (resid  17 and name  C) (resid  18 and name  N) 1.0   -41.51    12.02 2

! 39. R 18 Psi -38.68 +/- 23.38 (-62.06 to -15.30)

assign (resid  18 and name  N) (resid  18 and name CA) 
       (resid  18 and name  C) (resid  19 and name  N) 1.0   -38.68    23.38 2

! 40. F 19 Psi -45.74 +/- 13.44 (-59.18 to -32.30)

assign (resid  19 and name  N) (resid  19 and name CA) 
       (resid  19 and name  C) (resid  20 and name  N) 1.0   -45.74    13.44 2

! 41. Y 20 Psi -37.75 +/- 17.02 (-54.77 to -20.73)

assign (resid  20 and name  N) (resid  20 and name CA) 
       (resid  20 and name  C) (resid  21 and name  N) 1.0   -37.75    17.02 2

! 42. N 21 Psi -42.94 +/- 9.22 (-52.16 to -33.72)

assign (resid  21 and name  N) (resid  21 and name CA) 
       (resid  21 and name  C) (resid  22 and name  N) 1.0   -42.94     9.22 2

! 43. D 22 Psi -36.25 +/- 40.28 (-76.53 to 4.03)

assign (resid  22 and name  N) (resid  22 and name CA) 
       (resid  22 and name  C) (resid  23 and name  N) 1.0   -36.25    40.28 2

! 44. L 23 Psi -43.70 +/- 14.70 (-58.40 to -29.00)

assign (resid  23 and name  N) (resid  23 and name CA) 
       (resid  23 and name  C) (resid  24 and name  N) 1.0   -43.70    14.70 2

! 45. Q 24 Psi -41.02 +/- 7.62 (-48.64 to -33.40)

assign (resid  24 and name  N) (resid  24 and name CA) 
       (resid  24 and name  C) (resid  25 and name  N) 1.0   -41.02     7.62 2

! 46. Q 25 Psi -41.96 +/- 16.70 (-58.66 to -25.26)

assign (resid  25 and name  N) (resid  25 and name CA) 
       (resid  25 and name  C) (resid  26 and name  N) 1.0   -41.96    16.70 2

! 47. Y 26 Psi -46.57 +/- 13.94 (-60.51 to -32.63)

assign (resid  26 and name  N) (resid  26 and name CA) 
       (resid  26 and name  C) (resid  27 and name  N) 1.0   -46.57    13.94 2

! 48. L 27 Psi -39.33 +/- 11.36 (-50.69 to -27.97)

assign (resid  27 and name  N) (resid  27 and name CA) 
       (resid  27 and name  C) (resid  28 and name  N) 1.0   -39.33    11.36 2

! 49. N 28 Psi -39.00 +/- 22.00 (-61.00 to -17.00)

assign (resid  28 and name  N) (resid  28 and name CA) 
       (resid  28 and name  C) (resid  29 and name  N) 1.0   -39.00    22.00 2

! 50. V 29 Psi -45.00 +/- 14.00 (-59.00 to -31.00)

assign (resid  29 and name  N) (resid  29 and name CA) 
       (resid  29 and name  C) (resid  30 and name  N) 1.0   -45.00    14.00 2




  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H2   PRO   1           1H       PRO   1   9.594  -9.191   0.910
    2    H3   PRO   1           2H       PRO   1  10.972  -9.691   1.774
    3    HA   PRO   1           HA       PRO   1  10.837  -7.761   2.845
    4    HB2  PRO   1           1HB      PRO   1  11.445  -5.961   0.689
    5    HB3  PRO   1           2HB      PRO   1  12.557  -6.629   1.902
    6    HG2  PRO   1           1HG      PRO   1  12.566  -7.251  -0.790
    7    HG3  PRO   1           2HG      PRO   1  13.316  -8.209   0.494
    8    HD2  PRO   1           1HD      PRO   1  10.740  -8.685  -0.948
    9    HD3  PRO   1           2HD      PRO   1  11.880  -9.859  -0.257
   10    H    PHE   2           H        PHE   2  10.147  -5.155   2.128
   11    HA   PHE   2           HA       PHE   2   7.321  -5.479   1.216
   12    HB2  PHE   2           1HB      PHE   2   6.545  -4.033   2.886
   13    HB3  PHE   2           2HB      PHE   2   7.759  -4.990   3.732
   14    HD1  PHE   2           HD2      PHE   2  10.284  -3.956   3.301
   15    HD2  PHE   2           HD1      PHE   2   6.588  -1.770   3.341
   16    HE1  PHE   2           HE2      PHE   2  11.521  -1.876   3.847
   17    HE2  PHE   2           HE1      PHE   2   7.824   0.311   3.885
   18    HZ   PHE   2           HZ       PHE   2  10.291   0.258   4.138
   19    HA   PRO   3           HA       PRO   3   9.315  -2.647  -1.737
   20    HB2  PRO   3           1HB      PRO   3   7.054  -3.089  -3.470
   21    HB3  PRO   3           2HB      PRO   3   8.728  -3.611  -3.670
   22    HG2  PRO   3           1HG      PRO   3   6.512  -5.220  -3.063
   23    HG3  PRO   3           2HG      PRO   3   8.212  -5.693  -3.096
   24    HD2  PRO   3           1HD      PRO   3   6.487  -5.303  -0.795
   25    HD3  PRO   3           2HD      PRO   3   8.112  -5.990  -0.848
   26    HA   PRO   4           HA       PRO   4   5.401   0.156  -1.833
   27    HB2  PRO   4           1HB      PRO   4   3.460  -0.825   0.050
   28    HB3  PRO   4           2HB      PRO   4   3.287  -0.637  -1.701
   29    HG2  PRO   4           1HG      PRO   4   3.434  -3.035  -0.283
   30    HG3  PRO   4           2HG      PRO   4   3.551  -2.831  -2.034
   31    HD2  PRO   4           1HD      PRO   4   5.679  -3.416  -0.090
   32    HD3  PRO   4           2HD      PRO   4   5.666  -3.623  -1.853
   33    H    THR   5           H        THR   5   5.657   1.988  -0.626
   34    HA   THR   5           HA       THR   5   6.345   1.661   2.261
   35    HB   THR   5           HB       THR   5   7.079   3.809   0.253
   36    HG1  THR   5           HG1      THR   5   9.179   3.113   0.860
   37   HG21  THR   5          3HG2      THR   5   6.702   4.066   3.087
   38   HG22  THR   5          1HG2      THR   5   7.279   5.274   1.940
   39   HG23  THR   5          2HG2      THR   5   8.423   4.189   2.728
   40    HA   PRO   6           HA       PRO   6   2.285   3.373   2.909
   41    HB2  PRO   6           1HB      PRO   6   3.016   4.427   5.487
   42    HB3  PRO   6           2HB      PRO   6   2.030   3.004   5.126
   43    HG2  PRO   6           1HG      PRO   6   4.754   3.139   6.028
   44    HG3  PRO   6           2HG      PRO   6   3.709   1.728   5.840
   45    HD2  PRO   6           1HD      PRO   6   5.934   2.374   4.246
   46    HD3  PRO   6           2HD      PRO   6   4.703   1.148   3.882
   47    HA   PRO   7           HA       PRO   7   3.030   7.721   2.052
   48    HB2  PRO   7           1HB      PRO   7   0.306   8.473   2.568
   49    HB3  PRO   7           2HB      PRO   7   1.078   8.180   1.002
   50    HG2  PRO   7           1HG      PRO   7  -0.888   6.620   2.117
   51    HG3  PRO   7           2HG      PRO   7   0.229   6.101   0.849
   52    HD2  PRO   7           1HD      PRO   7   0.299   5.510   3.783
   53    HD3  PRO   7           2HD      PRO   7   0.777   4.503   2.401
   54    H    GLY   8           H        GLY   8   2.844   9.912   3.060
   55    HA2  GLY   8           1HA      GLY   8   3.052   9.736   5.988
   56    HA3  GLY   8           2HA      GLY   8   3.344  11.179   5.011
   57    H    GLU   9           H        GLU   9   1.844  11.605   7.229
   58    HA   GLU   9           HA       GLU   9  -0.970  11.166   6.917
   59    HB2  GLU   9           1HB      GLU   9   0.520  13.327   8.435
   60    HB3  GLU   9           2HB      GLU   9  -1.207  13.002   8.593
   61    HG2  GLU   9           1HG      GLU   9  -0.680  10.670   9.277
   62    HG3  GLU   9           2HG      GLU   9   1.040  11.058   9.196
   63    H    GLU  10           H        GLU  10   1.178  13.753   5.847
   64    HA   GLU  10           HA       GLU  10  -0.882  15.540   4.945
   65    HB2  GLU  10           1HB      GLU  10   2.004  15.233   4.069
   66    HB3  GLU  10           2HB      GLU  10   0.956  16.572   3.595
   67    HG2  GLU  10           1HG      GLU  10   0.611  17.113   6.001
   68    HG3  GLU  10           2HG      GLU  10   1.742  15.829   6.429
   69    H    ALA  11           H        ALA  11   0.646  12.729   3.496
   70    HA   ALA  11           HA       ALA  11   0.040  13.178   0.779
   71    HB1  ALA  11           1HB      ALA  11  -0.196  10.582   0.747
   72    HB2  ALA  11           2HB      ALA  11   0.267  10.685   2.444
   73    HB3  ALA  11           3HB      ALA  11   1.359  11.284   1.196
   74    HA   PRO  12           HA       PRO  12  -4.370  13.325   0.566
   75    HB2  PRO  12           1HB      PRO  12  -4.485  11.834  -1.909
   76    HB3  PRO  12           2HB      PRO  12  -4.640  13.583  -1.683
   77    HG2  PRO  12           1HG      PRO  12  -2.393  12.074  -2.689
   78    HG3  PRO  12           2HG      PRO  12  -2.629  13.825  -2.647
   79    HD2  PRO  12           1HD      PRO  12  -0.814  12.363  -1.080
   80    HD3  PRO  12           2HD      PRO  12  -1.300  14.048  -0.822
   81    H    VAL  13           H        VAL  13  -6.182  11.960   0.906
   82    HA   VAL  13           HA       VAL  13  -5.696   9.422   2.104
   83    HB   VAL  13           HB       VAL  13  -7.727  10.932   2.429
   84   HG11  VAL  13          1HG1      VAL  13  -8.204  11.220   0.003
   85   HG12  VAL  13          2HG1      VAL  13  -9.600  10.609   0.890
   86   HG13  VAL  13          3HG1      VAL  13  -8.632   9.511  -0.094
   87   HG21  VAL  13          3HG2      VAL  13  -7.400   8.227   2.790
   88   HG22  VAL  13          1HG2      VAL  13  -8.870   8.281   1.816
   89   HG23  VAL  13          2HG2      VAL  13  -8.796   9.147   3.351
   90    H    GLU  14           H        GLU  14  -6.136  10.331  -1.224
   91    HA   GLU  14           HA       GLU  14  -7.060   7.828  -2.250
   92    HB2  GLU  14           1HB      GLU  14  -5.324   9.962  -3.536
   93    HB3  GLU  14           2HB      GLU  14  -6.060   8.615  -4.406
   94    HG2  GLU  14           1HG      GLU  14  -8.302   9.387  -3.641
   95    HG3  GLU  14           2HG      GLU  14  -7.534  10.776  -2.872
   96    H    ASP  15           H        ASP  15  -3.895   9.079  -1.379
   97    HA   ASP  15           HA       ASP  15  -2.322   7.012  -2.535
   98    HB2  ASP  15           1HB      ASP  15  -1.856   8.689  -0.055
   99    HB3  ASP  15           2HB      ASP  15  -0.636   7.646  -0.784
  100    H    LEU  16           H        LEU  16  -4.027   7.260   0.556
  101    HA   LEU  16           HA       LEU  16  -3.000   4.880   1.744
  102    HB2  LEU  16           1HB      LEU  16  -4.520   6.778   2.730
  103    HB3  LEU  16           2HB      LEU  16  -5.840   5.761   2.159
  104    HG   LEU  16           HG       LEU  16  -5.487   5.049   4.375
  105   HD11  LEU  16          1HD1      LEU  16  -3.702   3.159   2.837
  106   HD12  LEU  16          2HD1      LEU  16  -5.456   3.192   2.648
  107   HD13  LEU  16          3HD1      LEU  16  -4.746   2.788   4.206
  108   HD21  LEU  16          3HD2      LEU  16  -2.510   4.900   3.857
  109   HD22  LEU  16          1HD2      LEU  16  -3.336   4.729   5.404
  110   HD23  LEU  16          2HD2      LEU  16  -3.301   6.293   4.592
  111    H    ILE  17           H        ILE  17  -5.804   5.449  -0.388
  112    HA   ILE  17           HA       ILE  17  -6.803   2.774  -0.349
  113    HB   ILE  17           HB       ILE  17  -6.869   4.791  -2.619
  114   HG12  ILE  17          1HG1      ILE  17  -8.918   4.180  -0.462
  115   HG13  ILE  17          2HG1      ILE  17  -7.841   5.577  -0.447
  116   HG21  ILE  17          1HG2      ILE  17  -7.663   2.962  -3.729
  117   HG22  ILE  17          2HG2      ILE  17  -9.138   3.289  -2.820
  118   HG23  ILE  17          3HG2      ILE  17  -7.994   2.079  -2.239
  119   HD11  ILE  17          3HD1      ILE  17  -9.486   5.086  -2.898
  120   HD12  ILE  17          1HD1      ILE  17  -8.930   6.612  -2.210
  121   HD13  ILE  17          2HD1      ILE  17 -10.285   5.755  -1.475
  122    H    ARG  18           H        ARG  18  -4.451   4.356  -2.515
  123    HA   ARG  18           HA       ARG  18  -3.915   2.067  -4.140
  124    HB2  ARG  18           1HB      ARG  18  -3.182   4.335  -4.766
  125    HB3  ARG  18           2HB      ARG  18  -2.091   4.375  -3.383
  126    HG2  ARG  18           1HG      ARG  18  -0.740   3.779  -5.261
  127    HG3  ARG  18           2HG      ARG  18  -0.988   2.290  -4.353
  128    HD2  ARG  18           1HD      ARG  18  -1.307   2.048  -6.843
  129    HD3  ARG  18           2HD      ARG  18  -2.701   1.554  -5.886
  130    HE   ARG  18           HE       ARG  18  -3.877   3.177  -7.109
  131   HH11  ARG  18          1HH2      ARG  18  -0.535   3.961  -6.977
  132   HH12  ARG  18          2HH2      ARG  18  -0.748   5.576  -7.567
  133   HH21  ARG  18          1HH1      ARG  18  -4.208   5.353  -7.696
  134   HH22  ARG  18          2HH1      ARG  18  -2.829   6.364  -7.973
  135    H    PHE  19           H        PHE  19  -2.470   3.188  -1.084
  136    HA   PHE  19           HA       PHE  19  -0.362   1.296  -0.945
  137    HB2  PHE  19           1HB      PHE  19  -0.716   3.213   0.651
  138    HB3  PHE  19           2HB      PHE  19  -2.020   2.286   1.395
  139    HD1  PHE  19           HD2      PHE  19   1.623   2.380   0.736
  140    HD2  PHE  19           HD1      PHE  19  -1.569   0.385   2.802
  141    HE1  PHE  19           HE2      PHE  19   3.282   1.135   2.095
  142    HE2  PHE  19           HE1      PHE  19   0.089  -0.863   4.161
  143    HZ   PHE  19           HZ       PHE  19   2.515  -0.490   3.806
  144    H    TYR  20           H        TYR  20  -3.748   1.060   0.148
  145    HA   TYR  20           HA       TYR  20  -3.591  -1.596   1.177
  146    HB2  TYR  20           1HB      TYR  20  -5.539  -0.085   1.527
  147    HB3  TYR  20           2HB      TYR  20  -5.942  -0.233  -0.183
  148    HD1  TYR  20           HD1      TYR  20  -5.636  -2.098   3.012
  149    HD2  TYR  20           HD2      TYR  20  -7.034  -2.181  -1.048
  150    HE1  TYR  20           HE1      TYR  20  -6.881  -4.191   3.484
  151    HE2  TYR  20           HE2      TYR  20  -8.280  -4.272  -0.577
  152    HH   TYR  20           HH       TYR  20  -7.759  -6.270   1.595
  153    H    ASN  21           H        ASN  21  -4.191  -0.322  -2.068
  154    HA   ASN  21           HA       ASN  21  -4.769  -2.790  -3.372
  155    HB2  ASN  21           1HB      ASN  21  -3.401  -0.290  -4.425
  156    HB3  ASN  21           2HB      ASN  21  -4.064  -1.574  -5.432
  157   HD21  ASN  21          2HD2      ASN  21  -5.013   1.203  -5.437
  158   HD22  ASN  21          1HD2      ASN  21  -6.628   1.174  -4.917
  159    H    ASP  22           H        ASP  22  -1.679  -1.053  -2.911
  160    HA   ASP  22           HA       ASP  22  -0.069  -3.053  -4.200
  161    HB2  ASP  22           1HB      ASP  22   0.639  -0.957  -2.123
  162    HB3  ASP  22           2HB      ASP  22   1.820  -1.925  -3.006
  163    H    LEU  23           H        LEU  23  -1.052  -2.516  -0.824
  164    HA   LEU  23           HA       LEU  23   0.565  -4.544   0.355
  165    HB2  LEU  23           1HB      LEU  23  -0.764  -2.817   1.615
  166    HB3  LEU  23           2HB      LEU  23  -2.226  -3.722   1.216
  167    HG   LEU  23           HG       LEU  23  -1.170  -5.745   2.291
  168   HD11  LEU  23          1HD1      LEU  23   0.666  -4.635   4.028
  169   HD12  LEU  23          2HD1      LEU  23   1.024  -3.801   2.516
  170   HD13  LEU  23          3HD1      LEU  23   1.072  -5.562   2.584
  171   HD21  LEU  23          3HD2      LEU  23  -1.191  -3.611   4.378
  172   HD22  LEU  23          1HD2      LEU  23  -2.032  -5.161   4.350
  173   HD23  LEU  23          2HD2      LEU  23  -2.653  -3.805   3.409
  174    H    GLN  24           H        GLN  24  -2.646  -4.672  -1.165
  175    HA   GLN  24           HA       GLN  24  -3.242  -7.388  -0.556
  176    HB2  GLN  24           1HB      GLN  24  -4.814  -5.700  -1.621
  177    HB3  GLN  24           2HB      GLN  24  -3.950  -5.961  -3.136
  178    HG2  GLN  24           1HG      GLN  24  -4.468  -8.387  -2.992
  179    HG3  GLN  24           2HG      GLN  24  -5.386  -8.087  -1.517
  180   HE21  GLN  24          2HE2      GLN  24  -5.965  -5.342  -3.182
  181   HE22  GLN  24          1HE2      GLN  24  -7.339  -5.797  -4.068
  182    H    GLN  25           H        GLN  25  -1.365  -5.903  -3.178
  183    HA   GLN  25           HA       GLN  25  -0.867  -8.293  -4.663
  184    HB2  GLN  25           1HB      GLN  25   0.904  -5.850  -4.304
  185    HB3  GLN  25           2HB      GLN  25   1.104  -7.076  -5.556
  186    HG2  GLN  25           1HG      GLN  25  -1.356  -5.338  -5.185
  187    HG3  GLN  25           2HG      GLN  25  -0.119  -5.107  -6.421
  188   HE21  GLN  25          2HE2      GLN  25  -3.144  -6.081  -6.391
  189   HE22  GLN  25          1HE2      GLN  25  -3.100  -7.416  -7.439
  190    H    TYR  26           H        TYR  26   0.784  -6.852  -1.876
  191    HA   TYR  26           HA       TYR  26   3.050  -8.507  -1.725
  192    HB2  TYR  26           1HB      TYR  26   2.777  -6.602  -0.242
  193    HB3  TYR  26           2HB      TYR  26   1.367  -7.351   0.509
  194    HD1  TYR  26           HD2      TYR  26   5.025  -7.599   0.058
  195    HD2  TYR  26           HD1      TYR  26   1.585  -9.115   2.133
  196    HE1  TYR  26           HE2      TYR  26   6.515  -8.809   1.634
  197    HE2  TYR  26           HE1      TYR  26   3.071 -10.326   3.710
  198    HH   TYR  26           HH       TYR  26   5.519 -10.012   4.539
  199    H    LEU  27           H        LEU  27  -0.161  -9.014  -0.237
  200    HA   LEU  27           HA       LEU  27   0.443 -11.535   0.936
  201    HB2  LEU  27           1HB      LEU  27  -2.114 -10.268  -0.019
  202    HB3  LEU  27           2HB      LEU  27  -2.099 -11.853   0.759
  203    HG   LEU  27           HG       LEU  27  -0.929  -9.326   1.965
  204   HD11  LEU  27          1HD1      LEU  27  -3.601 -10.697   2.297
  205   HD12  LEU  27          2HD1      LEU  27  -3.282  -8.998   1.949
  206   HD13  LEU  27          3HD1      LEU  27  -2.933  -9.651   3.550
  207   HD21  LEU  27          3HD2      LEU  27   0.112 -10.851   3.280
  208   HD22  LEU  27          1HD2      LEU  27  -0.861 -12.177   2.641
  209   HD23  LEU  27          2HD2      LEU  27  -1.481 -11.182   3.960
  210    H    ASN  28           H        ASN  28  -1.064 -10.799  -2.241
  211    HA   ASN  28           HA       ASN  28  -1.196 -13.568  -3.048
  212    HB2  ASN  28           1HB      ASN  28  -1.070 -11.053  -4.749
  213    HB3  ASN  28           2HB      ASN  28  -1.556 -12.651  -5.314
  214   HD21  ASN  28          2HD2      ASN  28  -2.407 -10.945  -2.258
  215   HD22  ASN  28          1HD2      ASN  28  -4.082 -11.002  -2.518
  216    H    VAL  29           H        VAL  29   1.153 -10.990  -3.363
  217    HA   VAL  29           HA       VAL  29   2.991 -12.356  -5.100
  218    HB   VAL  29           HB       VAL  29   3.324 -10.095  -3.121
  219   HG11  VAL  29          1HG1      VAL  29   5.267 -11.419  -4.972
  220   HG12  VAL  29          2HG1      VAL  29   5.521 -10.805  -3.337
  221   HG13  VAL  29          3HG1      VAL  29   5.386  -9.682  -4.690
  222   HG21  VAL  29          3HG2      VAL  29   1.973 -10.156  -5.503
  223   HG22  VAL  29          1HG2      VAL  29   3.578  -9.640  -6.019
  224   HG23  VAL  29          2HG2      VAL  29   2.698  -8.707  -4.809
  225    H    VAL  30           H        VAL  30   2.663 -12.114  -1.573
  226    HA   VAL  30           HA       VAL  30   3.786 -13.252   0.149
  227    HB   VAL  30           HB       VAL  30   3.659 -15.365  -2.019
  228   HG11  VAL  30          1HG1      VAL  30   3.761 -16.754   0.304
  229   HG12  VAL  30          2HG1      VAL  30   4.795 -15.390   0.725
  230   HG13  VAL  30          3HG1      VAL  30   5.192 -16.399  -0.665
  231   HG21  VAL  30          3HG2      VAL  30   1.885 -16.120  -0.149
  232   HG22  VAL  30          1HG2      VAL  30   1.452 -15.013  -1.451
  233   HG23  VAL  30          2HG2      VAL  30   1.856 -14.382   0.146
  Start of MODEL    2
    1    H2   PRO   1           1H       PRO   1  10.860  -5.169   3.876
    2    H3   PRO   1           2H       PRO   1  12.440  -5.618   3.434
    3    HA   PRO   1           HA       PRO   1  11.756  -7.354   2.247
    4    HB2  PRO   1           1HB      PRO   1   9.434  -8.314   3.635
    5    HB3  PRO   1           2HB      PRO   1  11.040  -9.063   3.545
    6    HG2  PRO   1           1HG      PRO   1   9.852  -7.466   5.680
    7    HG3  PRO   1           2HG      PRO   1  11.243  -8.558   5.727
    8    HD2  PRO   1           1HD      PRO   1  11.477  -5.829   5.915
    9    HD3  PRO   1           2HD      PRO   1  12.756  -6.870   5.256
   10    H    PHE   2           H        PHE   2   8.738  -6.115   3.741
   11    HA   PHE   2           HA       PHE   2   7.192  -6.237   1.372
   12    HB2  PHE   2           1HB      PHE   2   5.571  -4.949   2.522
   13    HB3  PHE   2           2HB      PHE   2   6.425  -5.824   3.793
   14    HD1  PHE   2           HD1      PHE   2   8.729  -4.528   4.516
   15    HD2  PHE   2           HD2      PHE   2   5.166  -2.707   2.957
   16    HE1  PHE   2           HE1      PHE   2   9.368  -2.376   5.574
   17    HE2  PHE   2           HE2      PHE   2   5.804  -0.554   4.013
   18    HZ   PHE   2           HZ       PHE   2   7.905  -0.389   5.321
   19    HA   PRO   3           HA       PRO   3   9.472  -2.988  -0.791
   20    HB2  PRO   3           1HB      PRO   3   7.603  -3.196  -2.968
   21    HB3  PRO   3           2HB      PRO   3   9.277  -3.747  -2.890
   22    HG2  PRO   3           1HG      PRO   3   6.937  -5.320  -2.870
   23    HG3  PRO   3           2HG      PRO   3   8.613  -5.854  -2.716
   24    HD2  PRO   3           1HD      PRO   3   6.579  -5.758  -0.680
   25    HD3  PRO   3           2HD      PRO   3   8.224  -6.383  -0.551
   26    HA   PRO   4           HA       PRO   4   5.486  -0.267  -1.409
   27    HB2  PRO   4           1HB      PRO   4   3.461  -1.280   0.360
   28    HB3  PRO   4           2HB      PRO   4   3.397  -1.108  -1.399
   29    HG2  PRO   4           1HG      PRO   4   3.574  -3.490   0.091
   30    HG3  PRO   4           2HG      PRO   4   3.654  -3.304  -1.663
   31    HD2  PRO   4           1HD      PRO   4   5.801  -3.927   0.195
   32    HD3  PRO   4           2HD      PRO   4   5.824  -3.940  -1.580
   33    H    THR   5           H        THR   5   5.386   1.599  -0.197
   34    HA   THR   5           HA       THR   5   5.879   1.351   2.743
   35    HB   THR   5           HB       THR   5   6.881   3.547   0.906
   36    HG1  THR   5           HG1      THR   5   8.393   2.167   0.515
   37   HG21  THR   5          3HG2      THR   5   8.039   4.389   2.814
   38   HG22  THR   5          1HG2      THR   5   7.664   2.951   3.764
   39   HG23  THR   5          2HG2      THR   5   6.384   4.090   3.345
   40    HA   PRO   6           HA       PRO   6   1.931   3.389   2.937
   41    HB2  PRO   6           1HB      PRO   6   2.525   4.596   5.482
   42    HB3  PRO   6           2HB      PRO   6   1.493   3.198   5.148
   43    HG2  PRO   6           1HG      PRO   6   4.142   3.273   6.257
   44    HG3  PRO   6           2HG      PRO   6   3.042   1.901   6.088
   45    HD2  PRO   6           1HD      PRO   6   5.416   2.325   4.632
   46    HD3  PRO   6           2HD      PRO   6   4.160   1.123   4.273
   47    HA   PRO   7           HA       PRO   7   2.942   7.624   1.834
   48    HB2  PRO   7           1HB      PRO   7   0.281   8.598   2.293
   49    HB3  PRO   7           2HB      PRO   7   1.036   8.173   0.750
   50    HG2  PRO   7           1HG      PRO   7  -1.038   6.818   1.969
   51    HG3  PRO   7           2HG      PRO   7  -0.014   6.195   0.671
   52    HD2  PRO   7           1HD      PRO   7   0.051   5.578   3.582
   53    HD3  PRO   7           2HD      PRO   7   0.533   4.587   2.191
   54    H    GLY   8           H        GLY   8   2.831   9.903   2.722
   55    HA2  GLY   8           1HA      GLY   8   3.092   9.839   5.654
   56    HA3  GLY   8           2HA      GLY   8   3.458  11.216   4.611
   57    H    GLU   9           H        GLU   9   2.059  11.883   6.800
   58    HA   GLU   9           HA       GLU   9  -0.790  11.607   6.616
   59    HB2  GLU   9           1HB      GLU   9   0.911  13.733   7.951
   60    HB3  GLU   9           2HB      GLU   9  -0.830  13.563   8.179
   61    HG2  GLU   9           1HG      GLU   9   1.227  11.418   8.788
   62    HG3  GLU   9           2HG      GLU   9   0.439  12.441   9.989
   63    H    GLU  10           H        GLU  10   1.469  13.994   5.315
   64    HA   GLU  10           HA       GLU  10  -0.516  15.856   4.395
   65    HB2  GLU  10           1HB      GLU  10   2.292  15.317   3.387
   66    HB3  GLU  10           2HB      GLU  10   1.308  16.704   2.920
   67    HG2  GLU  10           1HG      GLU  10   2.546  17.598   4.682
   68    HG3  GLU  10           2HG      GLU  10   1.090  17.058   5.521
   69    H    ALA  11           H        ALA  11   0.836  12.910   3.005
   70    HA   ALA  11           HA       ALA  11   0.050  13.263   0.315
   71    HB1  ALA  11           1HB      ALA  11   1.282  11.268   1.636
   72    HB2  ALA  11           2HB      ALA  11   0.542  11.031   0.053
   73    HB3  ALA  11           3HB      ALA  11  -0.329  10.560   1.512
   74    HA   PRO  12           HA       PRO  12  -4.363  13.517   0.484
   75    HB2  PRO  12           1HB      PRO  12  -4.723  11.963  -1.929
   76    HB3  PRO  12           2HB      PRO  12  -4.831  13.719  -1.740
   77    HG2  PRO  12           1HG      PRO  12  -2.703  12.145  -2.895
   78    HG3  PRO  12           2HG      PRO  12  -2.912  13.899  -2.889
   79    HD2  PRO  12           1HD      PRO  12  -0.981  12.463  -1.447
   80    HD3  PRO  12           2HD      PRO  12  -1.430  14.160  -1.187
   81    H    VAL  13           H        VAL  13  -6.194  12.158   0.931
   82    HA   VAL  13           HA       VAL  13  -5.597   9.654   2.179
   83    HB   VAL  13           HB       VAL  13  -7.946   9.480   2.563
   84   HG11  VAL  13          1HG1      VAL  13  -6.953  12.324   2.470
   85   HG12  VAL  13          2HG1      VAL  13  -7.113  11.263   3.869
   86   HG13  VAL  13          3HG1      VAL  13  -8.552  11.931   3.100
   87   HG21  VAL  13          3HG2      VAL  13  -9.051   9.681   0.536
   88   HG22  VAL  13          1HG2      VAL  13  -8.105  11.085   0.044
   89   HG23  VAL  13          2HG2      VAL  13  -9.400  11.266   1.227
   90    H    GLU  14           H        GLU  14  -6.582  10.525  -1.079
   91    HA   GLU  14           HA       GLU  14  -7.464   7.959  -1.958
   92    HB2  GLU  14           1HB      GLU  14  -7.698  10.097  -3.268
   93    HB3  GLU  14           2HB      GLU  14  -5.964  10.034  -3.588
   94    HG2  GLU  14           1HG      GLU  14  -6.268   7.789  -4.627
   95    HG3  GLU  14           2HG      GLU  14  -8.010   7.941  -4.386
   96    H    ASP  15           H        ASP  15  -4.296   9.444  -1.602
   97    HA   ASP  15           HA       ASP  15  -2.758   7.470  -2.930
   98    HB2  ASP  15           1HB      ASP  15  -1.901   9.686  -2.094
   99    HB3  ASP  15           2HB      ASP  15  -1.944   9.026  -0.459
  100    H    LEU  16           H        LEU  16  -3.989   7.656   0.390
  101    HA   LEU  16           HA       LEU  16  -2.659   5.352   1.414
  102    HB2  LEU  16           1HB      LEU  16  -3.947   7.039   2.773
  103    HB3  LEU  16           2HB      LEU  16  -5.436   6.316   2.163
  104    HG   LEU  16           HG       LEU  16  -3.439   4.438   3.316
  105   HD11  LEU  16          1HD1      LEU  16  -4.785   6.629   4.854
  106   HD12  LEU  16          2HD1      LEU  16  -3.193   5.910   5.094
  107   HD13  LEU  16          3HD1      LEU  16  -4.640   5.039   5.603
  108   HD21  LEU  16          3HD2      LEU  16  -6.428   4.744   3.741
  109   HD22  LEU  16          1HD2      LEU  16  -5.445   3.323   4.091
  110   HD23  LEU  16          2HD2      LEU  16  -5.722   3.813   2.422
  111    H    ILE  17           H        ILE  17  -5.733   5.720  -0.343
  112    HA   ILE  17           HA       ILE  17  -6.612   3.026  -0.123
  113    HB   ILE  17           HB       ILE  17  -6.960   4.977  -2.416
  114   HG12  ILE  17          1HG1      ILE  17  -8.793   4.252  -0.106
  115   HG13  ILE  17          2HG1      ILE  17  -7.827   5.723  -0.196
  116   HG21  ILE  17          1HG2      ILE  17  -9.111   3.373  -2.561
  117   HG22  ILE  17          2HG2      ILE  17  -7.953   2.216  -1.905
  118   HG23  ILE  17          3HG2      ILE  17  -7.620   3.026  -3.436
  119   HD11  ILE  17          3HD1      ILE  17  -9.450   5.224  -2.600
  120   HD12  ILE  17          1HD1      ILE  17  -9.252   6.707  -1.665
  121   HD13  ILE  17          2HD1      ILE  17 -10.402   5.479  -1.137
  122    H    ARG  18           H        ARG  18  -4.569   4.556  -2.635
  123    HA   ARG  18           HA       ARG  18  -4.179   2.187  -4.162
  124    HB2  ARG  18           1HB      ARG  18  -2.312   4.544  -3.777
  125    HB3  ARG  18           2HB      ARG  18  -2.148   3.317  -5.034
  126    HG2  ARG  18           1HG      ARG  18  -4.632   3.942  -5.596
  127    HG3  ARG  18           2HG      ARG  18  -4.260   5.433  -4.727
  128    HD2  ARG  18           1HD      ARG  18  -3.748   5.859  -7.027
  129    HD3  ARG  18           2HD      ARG  18  -2.198   5.631  -6.214
  130    HE   ARG  18           HE       ARG  18  -3.116   3.108  -7.207
  131   HH11  ARG  18          1HH1      ARG  18  -3.309   5.697  -9.161
  132   HH12  ARG  18          2HH1      ARG  18  -1.972   5.311 -10.191
  133   HH21  ARG  18          1HH2      ARG  18  -0.759   2.804  -8.124
  134   HH22  ARG  18          2HH2      ARG  18  -0.529   3.671  -9.606
  135    H    PHE  19           H        PHE  19  -2.469   3.450  -1.319
  136    HA   PHE  19           HA       PHE  19  -0.305   1.626  -1.285
  137    HB2  PHE  19           1HB      PHE  19  -0.477   3.482   0.322
  138    HB3  PHE  19           2HB      PHE  19  -1.884   2.720   1.067
  139    HD1  PHE  19           HD2      PHE  19   1.750   2.267   0.367
  140    HD2  PHE  19           HD1      PHE  19  -1.646   0.975   2.659
  141    HE1  PHE  19           HE2      PHE  19   3.235   0.886   1.796
  142    HE2  PHE  19           HE1      PHE  19  -0.158  -0.403   4.087
  143    HZ   PHE  19           HZ       PHE  19   2.283  -0.446   3.656
  144    H    TYR  20           H        TYR  20  -3.633   1.284  -0.102
  145    HA   TYR  20           HA       TYR  20  -3.356  -1.314   1.033
  146    HB2  TYR  20           1HB      TYR  20  -5.348   0.152   1.343
  147    HB3  TYR  20           2HB      TYR  20  -5.783  -0.119  -0.343
  148    HD1  TYR  20           HD1      TYR  20  -5.256  -1.816   2.928
  149    HD2  TYR  20           HD2      TYR  20  -6.887  -2.106  -1.035
  150    HE1  TYR  20           HE1      TYR  20  -6.414  -3.917   3.559
  151    HE2  TYR  20           HE2      TYR  20  -8.043  -4.209  -0.405
  152    HH   TYR  20           HH       TYR  20  -8.670  -5.142   2.559
  153    H    ASN  21           H        ASN  21  -4.011  -0.228  -2.281
  154    HA   ASN  21           HA       ASN  21  -4.597  -2.757  -3.429
  155    HB2  ASN  21           1HB      ASN  21  -4.490  -1.666  -5.444
  156    HB3  ASN  21           2HB      ASN  21  -4.501  -0.243  -4.405
  157   HD21  ASN  21          2HD2      ASN  21  -2.918   1.218  -5.051
  158   HD22  ASN  21          1HD2      ASN  21  -1.387   0.801  -5.650
  159    H    ASP  22           H        ASP  22  -1.440  -1.101  -3.074
  160    HA   ASP  22           HA       ASP  22   0.122  -3.156  -4.275
  161    HB2  ASP  22           1HB      ASP  22   0.823  -1.181  -2.081
  162    HB3  ASP  22           2HB      ASP  22   2.002  -2.207  -2.899
  163    H    LEU  23           H        LEU  23  -1.051  -2.720  -0.959
  164    HA   LEU  23           HA       LEU  23   0.381  -4.864   0.245
  165    HB2  LEU  23           1HB      LEU  23  -0.996  -3.147   1.471
  166    HB3  LEU  23           2HB      LEU  23  -2.445  -3.980   0.907
  167    HG   LEU  23           HG       LEU  23  -1.454  -6.098   1.950
  168   HD11  LEU  23          1HD1      LEU  23   0.112  -5.426   3.921
  169   HD12  LEU  23          2HD1      LEU  23   0.434  -3.979   2.965
  170   HD13  LEU  23          3HD1      LEU  23   0.812  -5.572   2.309
  171   HD21  LEU  23          3HD2      LEU  23  -2.817  -3.840   3.145
  172   HD22  LEU  23          1HD2      LEU  23  -1.829  -4.662   4.353
  173   HD23  LEU  23          2HD2      LEU  23  -3.048  -5.561   3.451
  174    H    GLN  24           H        GLN  24  -2.653  -4.778  -1.585
  175    HA   GLN  24           HA       GLN  24  -3.463  -7.471  -1.158
  176    HB2  GLN  24           1HB      GLN  24  -4.826  -5.673  -2.288
  177    HB3  GLN  24           2HB      GLN  24  -3.801  -5.864  -3.710
  178    HG2  GLN  24           1HG      GLN  24  -4.425  -8.290  -3.770
  179    HG3  GLN  24           2HG      GLN  24  -5.553  -7.991  -2.446
  180   HE21  GLN  24          2HE2      GLN  24  -7.644  -7.463  -3.100
  181   HE22  GLN  24          1HE2      GLN  24  -8.058  -6.816  -4.613
  182    H    GLN  25           H        GLN  25  -1.327  -6.039  -3.629
  183    HA   GLN  25           HA       GLN  25  -0.792  -8.501  -5.010
  184    HB2  GLN  25           1HB      GLN  25  -0.278  -6.257  -5.952
  185    HB3  GLN  25           2HB      GLN  25   0.986  -6.058  -4.738
  186    HG2  GLN  25           1HG      GLN  25   2.094  -8.118  -5.602
  187    HG3  GLN  25           2HG      GLN  25   0.871  -8.210  -6.870
  188   HE21  GLN  25          2HE2      GLN  25   3.586  -7.904  -7.593
  189   HE22  GLN  25          1HE2      GLN  25   3.822  -6.348  -8.229
  190    H    TYR  26           H        TYR  26   0.710  -6.899  -2.244
  191    HA   TYR  26           HA       TYR  26   3.043  -8.471  -1.997
  192    HB2  TYR  26           1HB      TYR  26   2.751  -6.517  -0.618
  193    HB3  TYR  26           2HB      TYR  26   1.291  -7.189   0.112
  194    HD1  TYR  26           HD2      TYR  26   4.953  -7.786  -0.284
  195    HD2  TYR  26           HD1      TYR  26   1.411  -8.578   2.010
  196    HE1  TYR  26           HE2      TYR  26   6.330  -8.915   1.445
  197    HE2  TYR  26           HE1      TYR  26   2.786  -9.710   3.739
  198    HH   TYR  26           HH       TYR  26   6.293  -9.641   3.635
  199    H    LEU  27           H        LEU  27  -0.186  -9.047  -0.581
  200    HA   LEU  27           HA       LEU  27   0.585 -11.516   0.685
  201    HB2  LEU  27           1HB      LEU  27  -2.103 -10.397  -0.113
  202    HB3  LEU  27           2HB      LEU  27  -1.907 -11.873   0.832
  203    HG   LEU  27           HG       LEU  27  -0.891  -9.119   1.605
  204   HD11  LEU  27          1HD1      LEU  27  -3.332 -10.714   2.252
  205   HD12  LEU  27          2HD1      LEU  27  -3.140  -8.966   2.104
  206   HD13  LEU  27          3HD1      LEU  27  -2.591  -9.794   3.562
  207   HD21  LEU  27          3HD2      LEU  27  -0.503 -11.876   2.702
  208   HD22  LEU  27          1HD2      LEU  27  -0.696 -10.554   3.854
  209   HD23  LEU  27          2HD2      LEU  27   0.617 -10.514   2.677
  210    H    ASN  28           H        ASN  28  -0.917 -10.756  -2.452
  211    HA   ASN  28           HA       ASN  28  -1.453 -13.461  -3.209
  212    HB2  ASN  28           1HB      ASN  28  -0.870 -11.027  -4.921
  213    HB3  ASN  28           2HB      ASN  28  -1.502 -12.556  -5.533
  214   HD21  ASN  28          2HD2      ASN  28  -2.445 -11.266  -2.370
  215   HD22  ASN  28          1HD2      ASN  28  -4.052 -10.920  -2.794
  216    H    VAL  29           H        VAL  29   1.405 -11.393  -3.744
  217    HA   VAL  29           HA       VAL  29   2.798 -13.490  -5.205
  218    HB   VAL  29           HB       VAL  29   4.679 -11.933  -5.179
  219   HG11  VAL  29          1HG1      VAL  29   3.599 -10.047  -6.310
  220   HG12  VAL  29          2HG1      VAL  29   2.048 -10.490  -5.596
  221   HG13  VAL  29          3HG1      VAL  29   2.814 -11.557  -6.774
  222   HG21  VAL  29          3HG2      VAL  29   4.712 -11.001  -3.021
  223   HG22  VAL  29          1HG2      VAL  29   2.999 -10.588  -3.078
  224   HG23  VAL  29          2HG2      VAL  29   4.161  -9.657  -4.021
  225    H    VAL  30           H        VAL  30   2.641 -12.368  -1.876
  226    HA   VAL  30           HA       VAL  30   3.617 -13.225   0.078
  227    HB   VAL  30           HB       VAL  30   3.605 -15.654  -1.724
  228   HG11  VAL  30          1HG1      VAL  30   5.405 -16.017  -0.157
  229   HG12  VAL  30          2HG1      VAL  30   4.012 -16.930   0.424
  230   HG13  VAL  30          3HG1      VAL  30   4.436 -15.395   1.179
  231   HG21  VAL  30          3HG2      VAL  30   1.397 -15.094  -1.118
  232   HG22  VAL  30          1HG2      VAL  30   1.879 -14.552   0.490
  233   HG23  VAL  30          2HG2      VAL  30   1.857 -16.275   0.109
  Start of MODEL    3
    1    H2   PRO   1           1H       PRO   1   8.181  -5.631  -4.945
    2    H3   PRO   1           2H       PRO   1   7.495  -6.877  -5.879
    3    HA   PRO   1           HA       PRO   1   7.301  -8.013  -3.993
    4    HB2  PRO   1           1HB      PRO   1  10.079  -8.433  -3.384
    5    HB3  PRO   1           2HB      PRO   1   8.966  -9.531  -4.223
    6    HG2  PRO   1           1HG      PRO   1  11.104  -8.226  -5.387
    7    HG3  PRO   1           2HG      PRO   1   9.732  -8.933  -6.251
    8    HD2  PRO   1           1HD      PRO   1  10.275  -6.062  -5.611
    9    HD3  PRO   1           2HD      PRO   1   9.420  -6.767  -6.999
   10    H    PHE   2           H        PHE   2   9.716  -5.447  -3.722
   11    HA   PHE   2           HA       PHE   2  10.080  -5.388  -0.949
   12    HB2  PHE   2           1HB      PHE   2  10.105  -3.257  -3.060
   13    HB3  PHE   2           2HB      PHE   2  10.200  -2.773  -1.379
   14    HD1  PHE   2           HD2      PHE   2  11.903  -4.084   0.115
   15    HD2  PHE   2           HD1      PHE   2  12.023  -3.921  -4.169
   16    HE1  PHE   2           HE2      PHE   2  14.295  -4.738   0.155
   17    HE2  PHE   2           HE1      PHE   2  14.414  -4.576  -4.139
   18    HZ   PHE   2           HZ       PHE   2  15.555  -4.984  -1.971
   19    HA   PRO   3           HA       PRO   3   6.118  -4.225   0.618
   20    HB2  PRO   3           1HB      PRO   3   7.153  -2.692   2.828
   21    HB3  PRO   3           2HB      PRO   3   6.503  -4.336   2.837
   22    HG2  PRO   3           1HG      PRO   3   9.132  -3.640   3.275
   23    HG3  PRO   3           2HG      PRO   3   8.544  -5.253   2.849
   24    HD2  PRO   3           1HD      PRO   3   9.900  -3.237   1.165
   25    HD3  PRO   3           2HD      PRO   3   9.880  -5.004   1.020
   26    HA   PRO   4           HA       PRO   4   5.080  -0.278  -1.064
   27    HB2  PRO   4           1HB      PRO   4   3.018   0.242   0.864
   28    HB3  PRO   4           2HB      PRO   4   2.834  -0.331  -0.800
   29    HG2  PRO   4           1HG      PRO   4   2.624  -1.802   1.676
   30    HG3  PRO   4           2HG      PRO   4   2.184  -2.294   0.037
   31    HD2  PRO   4           1HD      PRO   4   4.338  -3.296   1.504
   32    HD3  PRO   4           2HD      PRO   4   4.130  -3.444  -0.252
   33    H    THR   5           H        THR   5   5.468   1.924  -0.646
   34    HA   THR   5           HA       THR   5   6.335   2.603   2.137
   35    HB   THR   5           HB       THR   5   8.318   2.429   0.756
   36    HG1  THR   5           HG1      THR   5   7.749   5.180   0.751
   37   HG21  THR   5          3HG2      THR   5   7.413   4.540  -1.135
   38   HG22  THR   5          1HG2      THR   5   6.725   2.930  -1.350
   39   HG23  THR   5          2HG2      THR   5   8.472   3.158  -1.412
   40    HA   PRO   6           HA       PRO   6   2.813   5.295   0.706
   41    HB2  PRO   6           1HB      PRO   6   2.245   5.779   3.487
   42    HB3  PRO   6           2HB      PRO   6   1.272   4.883   2.312
   43    HG2  PRO   6           1HG      PRO   6   2.911   3.883   4.442
   44    HG3  PRO   6           2HG      PRO   6   1.823   3.001   3.367
   45    HD2  PRO   6           1HD      PRO   6   4.640   2.896   3.365
   46    HD3  PRO   6           2HD      PRO   6   3.560   2.221   2.131
   47    HA   PRO   7           HA       PRO   7   5.010   9.097   1.423
   48    HB2  PRO   7           1HB      PRO   7   2.676  10.770   1.501
   49    HB3  PRO   7           2HB      PRO   7   3.806  10.529   0.162
   50    HG2  PRO   7           1HG      PRO   7   1.160   9.659   0.296
   51    HG3  PRO   7           2HG      PRO   7   2.373   9.194  -0.902
   52    HD2  PRO   7           1HD      PRO   7   1.296   7.633   1.346
   53    HD3  PRO   7           2HD      PRO   7   2.179   7.091  -0.094
   54    H    GLY   8           H        GLY   8   1.893   9.456   3.154
   55    HA2  GLY   8           1HA      GLY   8   2.772   9.167   5.780
   56    HA3  GLY   8           2HA      GLY   8   3.131  10.846   5.374
   57    H    GLU   9           H        GLU   9   1.334  10.545   7.352
   58    HA   GLU   9           HA       GLU   9  -1.394  10.208   6.577
   59    HB2  GLU   9           1HB      GLU   9  -0.563  10.243   8.945
   60    HB3  GLU   9           2HB      GLU   9  -0.337  11.987   8.788
   61    HG2  GLU   9           1HG      GLU   9  -2.746  12.226   8.219
   62    HG3  GLU   9           2HG      GLU   9  -2.957  10.494   8.474
   63    H    GLU  10           H        GLU  10   0.773  12.971   6.405
   64    HA   GLU  10           HA       GLU  10  -1.165  15.015   6.019
   65    HB2  GLU  10           1HB      GLU  10   1.642  14.756   4.896
   66    HB3  GLU  10           2HB      GLU  10   0.680  16.234   4.844
   67    HG2  GLU  10           1HG      GLU  10   1.574  14.757   7.337
   68    HG3  GLU  10           2HG      GLU  10   2.170  16.318   6.775
   69    H    ALA  11           H        ALA  11   0.128  12.600   3.813
   70    HA   ALA  11           HA       ALA  11  -0.821  13.814   1.390
   71    HB1  ALA  11           1HB      ALA  11  -0.857  10.909   1.308
   72    HB2  ALA  11           2HB      ALA  11   0.613  11.503   2.080
   73    HB3  ALA  11           3HB      ALA  11   0.196  12.033   0.450
   74    HA   PRO  12           HA       PRO  12  -5.186  13.356   1.559
   75    HB2  PRO  12           1HB      PRO  12  -5.414  12.124  -1.050
   76    HB3  PRO  12           2HB      PRO  12  -5.742  13.807  -0.608
   77    HG2  PRO  12           1HG      PRO  12  -3.421  12.675  -1.947
   78    HG3  PRO  12           2HG      PRO  12  -3.912  14.367  -1.790
   79    HD2  PRO  12           1HD      PRO  12  -1.735  13.233  -0.509
   80    HD3  PRO  12           2HD      PRO  12  -2.561  14.713   0.024
   81    H    VAL  13           H        VAL  13  -6.746  11.739   1.985
   82    HA   VAL  13           HA       VAL  13  -5.846   9.187   2.822
   83    HB   VAL  13           HB       VAL  13  -8.001  10.302   3.510
   84   HG11  VAL  13          1HG1      VAL  13  -8.435  10.308   0.728
   85   HG12  VAL  13          2HG1      VAL  13  -9.580  10.792   1.979
   86   HG13  VAL  13          3HG1      VAL  13  -9.582   9.135   1.376
   87   HG21  VAL  13          3HG2      VAL  13  -7.605   7.476   2.769
   88   HG22  VAL  13          1HG2      VAL  13  -9.296   7.941   2.951
   89   HG23  VAL  13          2HG2      VAL  13  -8.168   8.170   4.288
   90    H    GLU  14           H        GLU  14  -6.571  10.350  -0.349
   91    HA   GLU  14           HA       GLU  14  -7.342   7.907  -1.611
   92    HB2  GLU  14           1HB      GLU  14  -5.747  10.246  -2.721
   93    HB3  GLU  14           2HB      GLU  14  -6.465   8.963  -3.695
   94    HG2  GLU  14           1HG      GLU  14  -8.706   9.575  -2.825
   95    HG3  GLU  14           2HG      GLU  14  -7.973  10.894  -1.908
   96    H    ASP  15           H        ASP  15  -4.248   9.292  -0.688
   97    HA   ASP  15           HA       ASP  15  -2.576   7.443  -2.058
   98    HB2  ASP  15           1HB      ASP  15  -2.136   8.960   0.529
   99    HB3  ASP  15           2HB      ASP  15  -0.872   8.071  -0.324
  100    H    LEU  16           H        LEU  16  -4.153   7.344   1.114
  101    HA   LEU  16           HA       LEU  16  -2.951   4.958   2.089
  102    HB2  LEU  16           1HB      LEU  16  -4.405   6.441   3.460
  103    HB3  LEU  16           2HB      LEU  16  -5.800   5.925   2.513
  104    HG   LEU  16           HG       LEU  16  -5.245   3.543   3.186
  105   HD11  LEU  16          1HD1      LEU  16  -3.149   3.330   4.042
  106   HD12  LEU  16          2HD1      LEU  16  -3.893   3.856   5.552
  107   HD13  LEU  16          3HD1      LEU  16  -3.071   5.026   4.519
  108   HD21  LEU  16          3HD2      LEU  16  -5.697   5.175   5.666
  109   HD22  LEU  16          1HD2      LEU  16  -6.531   3.719   5.123
  110   HD23  LEU  16          2HD2      LEU  16  -6.874   5.269   4.355
  111    H    ILE  17           H        ILE  17  -5.765   5.482  -0.019
  112    HA   ILE  17           HA       ILE  17  -6.658   2.799  -0.237
  113    HB   ILE  17           HB       ILE  17  -6.636   5.099  -2.193
  114   HG12  ILE  17          1HG1      ILE  17  -8.904   3.668  -0.778
  115   HG13  ILE  17          2HG1      ILE  17  -8.138   5.136  -0.172
  116   HG21  ILE  17          1HG2      ILE  17  -7.646   2.276  -2.557
  117   HG22  ILE  17          2HG2      ILE  17  -6.535   3.172  -3.594
  118   HG23  ILE  17          3HG2      ILE  17  -8.237   3.630  -3.520
  119   HD11  ILE  17          3HD1      ILE  17  -9.586   6.306  -1.447
  120   HD12  ILE  17          1HD1      ILE  17 -10.141   4.841  -2.256
  121   HD13  ILE  17          2HD1      ILE  17  -8.721   5.695  -2.857
  122    H    ARG  18           H        ARG  18  -4.242   4.529  -2.258
  123    HA   ARG  18           HA       ARG  18  -3.599   2.364  -3.949
  124    HB2  ARG  18           1HB      ARG  18  -2.728   4.752  -4.115
  125    HB3  ARG  18           2HB      ARG  18  -1.573   4.333  -2.850
  126    HG2  ARG  18           1HG      ARG  18  -1.563   2.291  -4.892
  127    HG3  ARG  18           2HG      ARG  18  -1.309   3.872  -5.630
  128    HD2  ARG  18           1HD      ARG  18   0.791   2.663  -4.808
  129    HD3  ARG  18           2HD      ARG  18   0.581   4.324  -4.247
  130    HE   ARG  18           HE       ARG  18  -0.609   2.448  -2.399
  131   HH11  ARG  18          1HH1      ARG  18   2.525   2.570  -3.590
  132   HH12  ARG  18          2HH1      ARG  18   3.283   2.882  -2.064
  133   HH21  ARG  18          1HH2      ARG  18   0.298   3.389  -0.378
  134   HH22  ARG  18          2HH2      ARG  18   2.024   3.345  -0.248
  135    H    PHE  19           H        PHE  19  -2.343   3.196  -0.730
  136    HA   PHE  19           HA       PHE  19  -0.441   1.076  -0.526
  137    HB2  PHE  19           1HB      PHE  19  -0.554   2.952   1.090
  138    HB3  PHE  19           2HB      PHE  19  -2.102   2.339   1.676
  139    HD1  PHE  19           HD2      PHE  19   1.527   1.727   1.521
  140    HD2  PHE  19           HD1      PHE  19  -2.244   0.298   2.987
  141    HE1  PHE  19           HE2      PHE  19   2.713   0.160   3.036
  142    HE2  PHE  19           HE1      PHE  19  -1.062  -1.273   4.501
  143    HZ   PHE  19           HZ       PHE  19   1.418  -1.342   4.526
  144    H    TYR  20           H        TYR  20  -3.901   1.250   0.113
  145    HA   TYR  20           HA       TYR  20  -4.271  -1.230   1.403
  146    HB2  TYR  20           1HB      TYR  20  -6.337  -0.319   1.374
  147    HB3  TYR  20           2HB      TYR  20  -5.913   0.738   0.039
  148    HD1  TYR  20           HD1      TYR  20  -6.213  -0.052  -2.339
  149    HD2  TYR  20           HD2      TYR  20  -7.458  -2.362   1.024
  150    HE1  TYR  20           HE1      TYR  20  -7.604  -1.458  -3.830
  151    HE2  TYR  20           HE2      TYR  20  -8.859  -3.784  -0.448
  152    HH   TYR  20           HH       TYR  20  -9.002  -3.170  -3.962
  153    H    ASN  21           H        ASN  21  -4.527  -0.520  -2.087
  154    HA   ASN  21           HA       ASN  21  -4.830  -3.264  -2.837
  155    HB2  ASN  21           1HB      ASN  21  -4.775  -2.496  -5.030
  156    HB3  ASN  21           2HB      ASN  21  -5.258  -1.040  -4.164
  157   HD21  ASN  21          2HD2      ASN  21  -4.087   0.752  -4.847
  158   HD22  ASN  21          1HD2      ASN  21  -2.472   0.728  -5.366
  159    H    ASP  22           H        ASP  22  -1.951  -1.190  -2.497
  160    HA   ASP  22           HA       ASP  22  -0.092  -3.010  -3.675
  161    HB2  ASP  22           1HB      ASP  22   0.292  -0.950  -1.482
  162    HB3  ASP  22           2HB      ASP  22   1.610  -1.789  -2.300
  163    H    LEU  23           H        LEU  23  -1.196  -2.638  -0.303
  164    HA   LEU  23           HA       LEU  23   0.499  -4.696   0.764
  165    HB2  LEU  23           1HB      LEU  23  -0.694  -2.956   2.127
  166    HB3  LEU  23           2HB      LEU  23  -2.204  -3.809   1.808
  167    HG   LEU  23           HG       LEU  23  -1.042  -5.896   2.747
  168   HD11  LEU  23          1HD1      LEU  23   0.916  -3.718   3.476
  169   HD12  LEU  23          2HD1      LEU  23   1.243  -5.295   2.757
  170   HD13  LEU  23          3HD1      LEU  23   0.771  -5.180   4.452
  171   HD21  LEU  23          3HD2      LEU  23  -2.718  -4.284   3.916
  172   HD22  LEU  23          1HD2      LEU  23  -1.306  -3.694   4.791
  173   HD23  LEU  23          2HD2      LEU  23  -1.783  -5.386   4.927
  174    H    GLN  24           H        GLN  24  -2.782  -4.726  -0.586
  175    HA   GLN  24           HA       GLN  24  -3.471  -7.396   0.089
  176    HB2  GLN  24           1HB      GLN  24  -5.020  -5.690  -0.907
  177    HB3  GLN  24           2HB      GLN  24  -4.214  -5.926  -2.457
  178    HG2  GLN  24           1HG      GLN  24  -4.773  -8.375  -2.290
  179    HG3  GLN  24           2HG      GLN  24  -5.740  -8.001  -0.863
  180   HE21  GLN  24          2HE2      GLN  24  -7.915  -7.812  -1.408
  181   HE22  GLN  24          1HE2      GLN  24  -8.505  -7.138  -2.849
  182    H    GLN  25           H        GLN  25  -1.799  -6.121  -2.799
  183    HA   GLN  25           HA       GLN  25  -1.457  -8.669  -4.067
  184    HB2  GLN  25           1HB      GLN  25  -1.148  -6.465  -5.208
  185    HB3  GLN  25           2HB      GLN  25   0.331  -6.227  -4.276
  186    HG2  GLN  25           1HG      GLN  25   1.175  -8.413  -5.226
  187    HG3  GLN  25           2HG      GLN  25  -0.229  -8.412  -6.296
  188   HE21  GLN  25          2HE2      GLN  25   0.527  -7.770  -8.331
  189   HE22  GLN  25          1HE2      GLN  25   1.537  -6.434  -8.607
  190    H    TYR  26           H        TYR  26   0.477  -6.866  -1.720
  191    HA   TYR  26           HA       TYR  26   2.829  -8.426  -1.728
  192    HB2  TYR  26           1HB      TYR  26   2.673  -6.369  -0.441
  193    HB3  TYR  26           2HB      TYR  26   1.411  -7.066   0.579
  194    HD1  TYR  26           HD2      TYR  26   4.985  -7.167  -0.292
  195    HD2  TYR  26           HD1      TYR  26   1.926  -8.696   2.299
  196    HE1  TYR  26           HE2      TYR  26   6.731  -8.117   1.195
  197    HE2  TYR  26           HE1      TYR  26   3.668  -9.650   3.791
  198    HH   TYR  26           HH       TYR  26   6.737 -10.169   2.937
  199    H    LEU  27           H        LEU  27  -0.181  -8.910   0.098
  200    HA   LEU  27           HA       LEU  27   0.731 -11.261   1.479
  201    HB2  LEU  27           1HB      LEU  27  -1.979 -10.114   0.856
  202    HB3  LEU  27           2HB      LEU  27  -1.794 -11.607   1.778
  203    HG   LEU  27           HG       LEU  27  -0.317  -9.088   2.536
  204   HD11  LEU  27          1HD1      LEU  27  -3.184  -9.791   2.922
  205   HD12  LEU  27          2HD1      LEU  27  -2.419  -8.206   2.817
  206   HD13  LEU  27          3HD1      LEU  27  -2.333  -9.130   4.318
  207   HD21  LEU  27          3HD2      LEU  27  -1.075 -11.688   3.873
  208   HD22  LEU  27          1HD2      LEU  27  -0.586 -10.279   4.815
  209   HD23  LEU  27          2HD2      LEU  27   0.534 -11.000   3.657
  210    H    ASN  28           H        ASN  28  -1.094 -10.787  -1.550
  211    HA   ASN  28           HA       ASN  28  -1.629 -13.555  -2.035
  212    HB2  ASN  28           1HB      ASN  28  -1.295 -11.245  -3.968
  213    HB3  ASN  28           2HB      ASN  28  -1.928 -12.830  -4.409
  214   HD21  ASN  28          2HD2      ASN  28  -2.692 -11.611  -1.213
  215   HD22  ASN  28          1HD2      ASN  28  -4.314 -11.233  -1.534
  216    H    VAL  29           H        VAL  29   1.142 -11.503  -2.938
  217    HA   VAL  29           HA       VAL  29   2.418 -13.635  -4.446
  218    HB   VAL  29           HB       VAL  29   4.335 -12.093  -4.527
  219   HG11  VAL  29          1HG1      VAL  29   2.991 -11.408  -6.241
  220   HG12  VAL  29          2HG1      VAL  29   2.754  -9.989  -5.218
  221   HG13  VAL  29          3HG1      VAL  29   1.568 -11.294  -5.204
  222   HG21  VAL  29          3HG2      VAL  29   4.101  -9.866  -3.403
  223   HG22  VAL  29          1HG2      VAL  29   4.233 -11.203  -2.261
  224   HG23  VAL  29          2HG2      VAL  29   2.662 -10.476  -2.590
  225    H    VAL  30           H        VAL  30   2.492 -12.453  -1.144
  226    HA   VAL  30           HA       VAL  30   3.579 -13.293   0.762
  227    HB   VAL  30           HB       VAL  30   3.458 -15.780  -0.965
  228   HG11  VAL  30          1HG1      VAL  30   3.565 -16.797   1.482
  229   HG12  VAL  30          2HG1      VAL  30   4.421 -15.297   1.833
  230   HG13  VAL  30          3HG1      VAL  30   5.049 -16.404   0.613
  231   HG21  VAL  30          3HG2      VAL  30   1.683 -14.573   1.163
  232   HG22  VAL  30          1HG2      VAL  30   1.590 -16.280   0.733
  233   HG23  VAL  30          2HG2      VAL  30   1.249 -15.047  -0.480
  Start of MODEL    4
    1    H2   PRO   1           1H       PRO   1   9.773  -7.979   2.085
    2    H3   PRO   1           2H       PRO   1  10.472  -8.429   3.567
    3    HA   PRO   1           HA       PRO   1   9.846  -6.456   4.336
    4    HB2  PRO   1           1HB      PRO   1  11.465  -4.731   2.709
    5    HB3  PRO   1           2HB      PRO   1  11.800  -5.320   4.350
    6    HG2  PRO   1           1HG      PRO   1  13.175  -6.056   2.060
    7    HG3  PRO   1           2HG      PRO   1  13.191  -6.918   3.605
    8    HD2  PRO   1           1HD      PRO   1  11.734  -7.594   1.092
    9    HD3  PRO   1           2HD      PRO   1  12.332  -8.666   2.375
   10    H    PHE   2           H        PHE   2   8.032  -5.258   3.988
   11    HA   PHE   2           HA       PHE   2   6.665  -5.142   1.521
   12    HB2  PHE   2           1HB      PHE   2   5.171  -3.614   2.558
   13    HB3  PHE   2           2HB      PHE   2   5.772  -4.627   3.871
   14    HD1  PHE   2           HD2      PHE   2   8.153  -3.728   4.838
   15    HD2  PHE   2           HD1      PHE   2   5.111  -1.328   2.983
   16    HE1  PHE   2           HE2      PHE   2   9.037  -1.718   5.989
   17    HE2  PHE   2           HE1      PHE   2   5.995   0.681   4.136
   18    HZ   PHE   2           HZ       PHE   2   7.959   0.488   5.637
   19    HA   PRO   3           HA       PRO   3   9.476  -2.166  -0.411
   20    HB2  PRO   3           1HB      PRO   3   7.880  -2.281  -2.797
   21    HB3  PRO   3           2HB      PRO   3   9.480  -2.962  -2.500
   22    HG2  PRO   3           1HG      PRO   3   7.065  -4.356  -2.784
   23    HG3  PRO   3           2HG      PRO   3   8.643  -5.007  -2.327
   24    HD2  PRO   3           1HD      PRO   3   6.302  -4.578  -0.665
   25    HD3  PRO   3           2HD      PRO   3   7.793  -5.450  -0.283
   26    HA   PRO   4           HA       PRO   4   5.714   0.779  -1.645
   27    HB2  PRO   4           1HB      PRO   4   3.814   0.432   0.486
   28    HB3  PRO   4           2HB      PRO   4   3.558   0.249  -1.254
   29    HG2  PRO   4           1HG      PRO   4   3.806  -1.777   0.755
   30    HG3  PRO   4           2HG      PRO   4   3.402  -1.948  -0.954
   31    HD2  PRO   4           1HD      PRO   4   5.784  -2.736   0.295
   32    HD3  PRO   4           2HD      PRO   4   5.497  -2.679  -1.449
   33    H    THR   5           H        THR   5   6.140   2.802  -0.937
   34    HA   THR   5           HA       THR   5   6.805   3.197   1.952
   35    HB   THR   5           HB       THR   5   8.883   3.282   0.726
   36    HG1  THR   5           HG1      THR   5   7.830   5.377   1.954
   37   HG21  THR   5          3HG2      THR   5   8.906   3.824  -1.452
   38   HG22  THR   5          1HG2      THR   5   8.441   5.478  -1.051
   39   HG23  THR   5          2HG2      THR   5   7.200   4.262  -1.356
   40    HA   PRO   6           HA       PRO   6   3.232   5.859   0.696
   41    HB2  PRO   6           1HB      PRO   6   2.682   6.243   3.496
   42    HB3  PRO   6           2HB      PRO   6   1.731   5.344   2.307
   43    HG2  PRO   6           1HG      PRO   6   3.418   4.340   4.391
   44    HG3  PRO   6           2HG      PRO   6   2.369   3.447   3.285
   45    HD2  PRO   6           1HD      PRO   6   5.194   3.486   3.277
   46    HD3  PRO   6           2HD      PRO   6   4.141   2.782   2.037
   47    HA   PRO   7           HA       PRO   7   5.314   9.727   1.386
   48    HB2  PRO   7           1HB      PRO   7   2.908  11.288   1.485
   49    HB3  PRO   7           2HB      PRO   7   4.039  11.108   0.139
   50    HG2  PRO   7           1HG      PRO   7   1.430  10.078   0.344
   51    HG3  PRO   7           2HG      PRO   7   2.606   9.792  -0.940
   52    HD2  PRO   7           1HD      PRO   7   1.711   7.968   1.137
   53    HD3  PRO   7           2HD      PRO   7   2.743   7.647  -0.270
   54    H    GLY   8           H        GLY   8   2.182   9.907   3.123
   55    HA2  GLY   8           1HA      GLY   8   3.246   9.747   5.746
   56    HA3  GLY   8           2HA      GLY   8   3.213  11.453   5.293
   57    H    GLU   9           H        GLU   9   1.626  10.903   7.355
   58    HA   GLU   9           HA       GLU   9  -1.009   9.951   6.722
   59    HB2  GLU   9           1HB      GLU   9  -0.090  11.842   8.911
   60    HB3  GLU   9           2HB      GLU   9  -1.660  11.039   8.854
   61    HG2  GLU   9           1HG      GLU   9  -0.509   8.835   8.847
   62    HG3  GLU   9           2HG      GLU   9   1.041   9.667   8.992
   63    H    GLU  10           H        GLU  10   0.504  13.132   6.583
   64    HA   GLU  10           HA       GLU  10  -1.871  14.671   6.191
   65    HB2  GLU  10           1HB      GLU  10   0.979  15.141   5.279
   66    HB3  GLU  10           2HB      GLU  10  -0.305  16.344   5.143
   67    HG2  GLU  10           1HG      GLU  10   0.723  16.891   7.189
   68    HG3  GLU  10           2HG      GLU  10  -0.661  15.916   7.685
   69    H    ALA  11           H        ALA  11  -0.006  12.668   4.003
   70    HA   ALA  11           HA       ALA  11  -0.810  13.766   1.523
   71    HB1  ALA  11           1HB      ALA  11   0.855  12.086   1.455
   72    HB2  ALA  11           2HB      ALA  11  -0.555  11.334   0.711
   73    HB3  ALA  11           3HB      ALA  11  -0.131  10.954   2.381
   74    HA   PRO  12           HA       PRO  12  -5.160  13.203   1.207
   75    HB2  PRO  12           1HB      PRO  12  -5.062  12.066  -1.453
   76    HB3  PRO  12           2HB      PRO  12  -5.487  13.720  -0.991
   77    HG2  PRO  12           1HG      PRO  12  -3.011  12.710  -2.117
   78    HG3  PRO  12           2HG      PRO  12  -3.554  14.382  -1.925
   79    HD2  PRO  12           1HD      PRO  12  -1.502  13.192  -0.476
   80    HD3  PRO  12           2HD      PRO  12  -2.380  14.656   0.012
   81    H    VAL  13           H        VAL  13  -6.743  11.530   1.304
   82    HA   VAL  13           HA       VAL  13  -5.882   8.991   2.229
   83    HB   VAL  13           HB       VAL  13  -8.161  10.100   2.570
   84   HG11  VAL  13          1HG1      VAL  13  -8.367  10.309  -0.037
   85   HG12  VAL  13          2HG1      VAL  13  -9.806   9.938   0.913
   86   HG13  VAL  13          3HG1      VAL  13  -8.955   8.649   0.059
   87   HG21  VAL  13          3HG2      VAL  13  -9.312   7.721   2.240
   88   HG22  VAL  13          1HG2      VAL  13  -8.082   7.966   3.480
   89   HG23  VAL  13          2HG2      VAL  13  -7.648   7.217   1.942
   90    H    GLU  14           H        GLU  14  -6.298  10.156  -1.017
   91    HA   GLU  14           HA       GLU  14  -6.777   7.658  -2.324
   92    HB2  GLU  14           1HB      GLU  14  -5.335  10.141  -3.309
   93    HB3  GLU  14           2HB      GLU  14  -5.858   8.804  -4.336
   94    HG2  GLU  14           1HG      GLU  14  -8.199   9.186  -3.619
   95    HG3  GLU  14           2HG      GLU  14  -7.665  10.549  -2.635
   96    H    ASP  15           H        ASP  15  -3.843   9.316  -1.257
   97    HA   ASP  15           HA       ASP  15  -1.995   7.533  -2.502
   98    HB2  ASP  15           1HB      ASP  15  -1.733   9.210   0.011
   99    HB3  ASP  15           2HB      ASP  15  -0.388   8.371  -0.766
  100    H    LEU  16           H        LEU  16  -3.629   7.497   0.635
  101    HA   LEU  16           HA       LEU  16  -2.261   5.240   1.720
  102    HB2  LEU  16           1HB      LEU  16  -3.736   6.805   3.018
  103    HB3  LEU  16           2HB      LEU  16  -5.132   6.064   2.237
  104    HG   LEU  16           HG       LEU  16  -4.084   3.818   3.096
  105   HD11  LEU  16          1HD1      LEU  16  -3.032   5.660   5.238
  106   HD12  LEU  16          2HD1      LEU  16  -2.012   5.179   3.884
  107   HD13  LEU  16          3HD1      LEU  16  -2.664   3.957   4.973
  108   HD21  LEU  16          3HD2      LEU  16  -5.443   5.865   4.872
  109   HD22  LEU  16          1HD2      LEU  16  -5.277   4.161   5.293
  110   HD23  LEU  16          2HD2      LEU  16  -6.226   4.633   3.883
  111    H    ILE  17           H        ILE  17  -5.178   5.504  -0.300
  112    HA   ILE  17           HA       ILE  17  -5.962   2.780  -0.203
  113    HB   ILE  17           HB       ILE  17  -6.164   4.723  -2.524
  114   HG12  ILE  17          1HG1      ILE  17  -8.174   3.986  -0.370
  115   HG13  ILE  17          2HG1      ILE  17  -7.229   5.477  -0.393
  116   HG21  ILE  17          1HG2      ILE  17  -6.896   2.905  -3.651
  117   HG22  ILE  17          2HG2      ILE  17  -8.309   2.952  -2.596
  118   HG23  ILE  17          3HG2      ILE  17  -6.936   1.923  -2.186
  119   HD11  ILE  17          3HD1      ILE  17  -8.661   6.428  -1.848
  120   HD12  ILE  17          1HD1      ILE  17  -9.702   5.015  -1.671
  121   HD13  ILE  17          2HD1      ILE  17  -8.500   5.069  -2.960
  122    H    ARG  18           H        ARG  18  -3.763   4.416  -2.512
  123    HA   ARG  18           HA       ARG  18  -3.119   2.150  -4.061
  124    HB2  ARG  18           1HB      ARG  18  -2.427   4.517  -4.552
  125    HB3  ARG  18           2HB      ARG  18  -1.217   4.380  -3.276
  126    HG2  ARG  18           1HG      ARG  18   0.194   3.291  -4.648
  127    HG3  ARG  18           2HG      ARG  18  -1.048   2.107  -5.057
  128    HD2  ARG  18           1HD      ARG  18  -0.926   4.871  -6.289
  129    HD3  ARG  18           2HD      ARG  18  -0.180   3.451  -7.023
  130    HE   ARG  18           HE       ARG  18  -2.486   2.458  -7.126
  131   HH11  ARG  18          1HH2      ARG  18  -1.831   5.752  -7.568
  132   HH12  ARG  18          2HH2      ARG  18  -3.489   6.220  -7.757
  133   HH21  ARG  18          1HH1      ARG  18  -4.739   3.083  -6.960
  134   HH22  ARG  18          2HH1      ARG  18  -5.136   4.707  -7.413
  135    H    PHE  19           H        PHE  19  -1.787   3.265  -0.969
  136    HA   PHE  19           HA       PHE  19   0.337   1.381  -0.765
  137    HB2  PHE  19           1HB      PHE  19   0.075   3.279   0.792
  138    HB3  PHE  19           2HB      PHE  19  -1.395   2.547   1.437
  139    HD1  PHE  19           HD2      PHE  19   2.280   2.109   1.089
  140    HD2  PHE  19           HD1      PHE  19  -1.314   0.755   3.015
  141    HE1  PHE  19           HE2      PHE  19   3.635   0.750   2.666
  142    HE2  PHE  19           HE1      PHE  19   0.042  -0.599   4.591
  143    HZ   PHE  19           HZ       PHE  19   2.514  -0.599   4.417
  144    H    TYR  20           H        TYR  20  -3.069   1.175   0.262
  145    HA   TYR  20           HA       TYR  20  -2.905  -1.444   1.383
  146    HB2  TYR  20           1HB      TYR  20  -4.827   0.090   1.735
  147    HB3  TYR  20           2HB      TYR  20  -5.289  -0.130   0.047
  148    HD1  TYR  20           HD1      TYR  20  -4.991  -1.782   3.340
  149    HD2  TYR  20           HD2      TYR  20  -6.263  -2.203  -0.741
  150    HE1  TYR  20           HE1      TYR  20  -6.204  -3.864   3.933
  151    HE2  TYR  20           HE2      TYR  20  -7.478  -4.283  -0.150
  152    HH   TYR  20           HH       TYR  20  -8.226  -5.154   2.954
  153    H    ASN  21           H        ASN  21  -3.641  -0.355  -1.941
  154    HA   ASN  21           HA       ASN  21  -4.282  -2.949  -2.933
  155    HB2  ASN  21           1HB      ASN  21  -4.186  -1.993  -5.093
  156    HB3  ASN  21           2HB      ASN  21  -4.717  -0.688  -4.046
  157   HD21  ASN  21          2HD2      ASN  21  -3.813   0.661  -5.930
  158   HD22  ASN  21          1HD2      ASN  21  -2.157   1.036  -5.899
  159    H    ASP  22           H        ASP  22  -1.179  -1.300  -2.506
  160    HA   ASP  22           HA       ASP  22   0.356  -3.196  -4.040
  161    HB2  ASP  22           1HB      ASP  22   1.182  -1.432  -1.712
  162    HB3  ASP  22           2HB      ASP  22   2.291  -2.282  -2.790
  163    H    LEU  23           H        LEU  23  -0.526  -2.941  -0.616
  164    HA   LEU  23           HA       LEU  23   0.904  -5.243   0.294
  165    HB2  LEU  23           1HB      LEU  23  -0.118  -3.494   1.771
  166    HB3  LEU  23           2HB      LEU  23  -1.709  -4.126   1.353
  167    HG   LEU  23           HG       LEU  23  -0.711  -6.420   2.133
  168   HD11  LEU  23          1HD1      LEU  23   1.157  -6.380   3.503
  169   HD12  LEU  23          2HD1      LEU  23   0.909  -4.697   3.967
  170   HD13  LEU  23          3HD1      LEU  23   1.579  -5.085   2.383
  171   HD21  LEU  23          3HD2      LEU  23  -1.937  -4.170   3.561
  172   HD22  LEU  23          1HD2      LEU  23  -1.074  -5.273   4.632
  173   HD23  LEU  23          2HD2      LEU  23  -2.363  -5.881   3.592
  174    H    GLN  24           H        GLN  24  -2.324  -4.802  -1.090
  175    HA   GLN  24           HA       GLN  24  -3.325  -7.424  -0.667
  176    HB2  GLN  24           1HB      GLN  24  -4.597  -5.406  -1.557
  177    HB3  GLN  24           2HB      GLN  24  -3.839  -5.717  -3.120
  178    HG2  GLN  24           1HG      GLN  24  -4.864  -7.895  -3.267
  179    HG3  GLN  24           2HG      GLN  24  -5.445  -7.792  -1.604
  180   HE21  GLN  24          2HE2      GLN  24  -6.247  -7.069  -4.881
  181   HE22  GLN  24          1HE2      GLN  24  -7.640  -6.152  -4.569
  182    H    GLN  25           H        GLN  25  -1.278  -6.087  -3.247
  183    HA   GLN  25           HA       GLN  25  -1.196  -8.438  -4.877
  184    HB2  GLN  25           1HB      GLN  25  -0.369  -6.158  -5.566
  185    HB3  GLN  25           2HB      GLN  25   1.022  -6.401  -4.508
  186    HG2  GLN  25           1HG      GLN  25   1.526  -8.517  -5.775
  187    HG3  GLN  25           2HG      GLN  25   0.248  -8.079  -6.907
  188   HE21  GLN  25          2HE2      GLN  25   1.211  -7.242  -8.756
  189   HE22  GLN  25          1HE2      GLN  25   2.499  -6.138  -8.769
  190    H    TYR  26           H        TYR  26   0.716  -7.375  -2.092
  191    HA   TYR  26           HA       TYR  26   2.751  -9.331  -2.136
  192    HB2  TYR  26           1HB      TYR  26   2.751  -7.474  -0.539
  193    HB3  TYR  26           2HB      TYR  26   1.310  -8.121   0.245
  194    HD1  TYR  26           HD1      TYR  26   1.403 -10.245   1.511
  195    HD2  TYR  26           HD2      TYR  26   4.920  -8.453  -0.177
  196    HE1  TYR  26           HE1      TYR  26   2.827 -11.695   2.938
  197    HE2  TYR  26           HE2      TYR  26   6.345  -9.901   1.246
  198    HH   TYR  26           HH       TYR  26   4.942 -11.995   3.718
  199    H    LEU  27           H        LEU  27  -0.417  -9.473  -0.499
  200    HA   LEU  27           HA       LEU  27  -0.127 -12.207   0.350
  201    HB2  LEU  27           1HB      LEU  27  -2.513 -10.401  -0.038
  202    HB3  LEU  27           2HB      LEU  27  -2.659 -12.041   0.598
  203    HG   LEU  27           HG       LEU  27  -0.834  -9.935   1.785
  204   HD11  LEU  27          1HD1      LEU  27  -3.173  -9.207   1.985
  205   HD12  LEU  27          2HD1      LEU  27  -2.558  -9.721   3.556
  206   HD13  LEU  27          3HD1      LEU  27  -3.618 -10.786   2.635
  207   HD21  LEU  27          3HD2      LEU  27  -0.043 -11.734   2.903
  208   HD22  LEU  27          1HD2      LEU  27  -1.281 -12.778   2.207
  209   HD23  LEU  27          2HD2      LEU  27  -1.622 -11.863   3.677
  210    H    ASN  28           H        ASN  28  -1.468 -10.661  -2.530
  211    HA   ASN  28           HA       ASN  28  -2.741 -12.934  -3.668
  212    HB2  ASN  28           1HB      ASN  28  -2.953 -10.551  -4.457
  213    HB3  ASN  28           2HB      ASN  28  -1.354 -10.710  -5.183
  214   HD21  ASN  28          2HD2      ASN  28  -4.560 -12.352  -5.184
  215   HD22  ASN  28          1HD2      ASN  28  -4.475 -12.840  -6.808
  216    H    VAL  29           H        VAL  29   0.622 -11.758  -4.039
  217    HA   VAL  29           HA       VAL  29   1.331 -13.935  -5.826
  218    HB   VAL  29           HB       VAL  29   3.640 -13.084  -5.522
  219   HG11  VAL  29          1HG1      VAL  29   3.145 -10.731  -6.335
  220   HG12  VAL  29          2HG1      VAL  29   1.444 -11.065  -6.016
  221   HG13  VAL  29          3HG1      VAL  29   2.318 -12.014  -7.217
  222   HG21  VAL  29          3HG2      VAL  29   4.229 -11.534  -3.914
  223   HG22  VAL  29          1HG2      VAL  29   2.936 -12.352  -3.042
  224   HG23  VAL  29          2HG2      VAL  29   2.618 -10.826  -3.861
  225    H    VAL  30           H        VAL  30   1.452 -13.379  -2.366
  226    HA   VAL  30           HA       VAL  30   2.051 -14.810  -0.608
  227    HB   VAL  30           HB       VAL  30   1.340 -16.777  -2.792
  228   HG11  VAL  30          1HG1      VAL  30   2.903 -17.882  -1.272
  229   HG12  VAL  30          2HG1      VAL  30   1.272 -18.478  -0.965
  230   HG13  VAL  30          3HG1      VAL  30   1.999 -17.296   0.124
  231   HG21  VAL  30          3HG2      VAL  30  -0.048 -15.521  -0.435
  232   HG22  VAL  30          1HG2      VAL  30  -0.577 -17.094  -1.031
  233   HG23  VAL  30          2HG2      VAL  30  -0.616 -15.689  -2.095
  Start of MODEL    5
    1    H2   PRO   1           1H       PRO   1   8.922  -6.404   4.482
    2    H3   PRO   1           2H       PRO   1   9.581  -7.841   5.109
    3    HA   PRO   1           HA       PRO   1   7.518  -8.632   5.145
    4    HB2  PRO   1           1HB      PRO   1   6.351  -6.906   7.118
    5    HB3  PRO   1           2HB      PRO   1   7.034  -8.528   7.351
    6    HG2  PRO   1           1HG      PRO   1   8.124  -6.169   8.307
    7    HG3  PRO   1           2HG      PRO   1   8.974  -7.711   8.139
    8    HD2  PRO   1           1HD      PRO   1   9.114  -5.285   6.407
    9    HD3  PRO   1           2HD      PRO   1  10.353  -6.517   6.723
   10    H    PHE   2           H        PHE   2   7.628  -5.122   4.893
   11    HA   PHE   2           HA       PHE   2   5.148  -5.264   3.242
   12    HB2  PHE   2           1HB      PHE   2   4.290  -3.259   4.168
   13    HB3  PHE   2           2HB      PHE   2   4.799  -4.228   5.553
   14    HD1  PHE   2           HD2      PHE   2   7.089  -3.796   6.564
   15    HD2  PHE   2           HD1      PHE   2   5.247  -1.135   3.743
   16    HE1  PHE   2           HE2      PHE   2   8.633  -1.987   7.268
   17    HE2  PHE   2           HE1      PHE   2   6.792   0.676   4.444
   18    HZ   PHE   2           HZ       PHE   2   8.483   0.250   6.208
   19    HA   PRO   3           HA       PRO   3   8.488  -3.572   0.645
   20    HB2  PRO   3           1HB      PRO   3   6.746  -3.922  -1.611
   21    HB3  PRO   3           2HB      PRO   3   8.205  -4.818  -1.188
   22    HG2  PRO   3           1HG      PRO   3   5.536  -5.707  -1.057
   23    HG3  PRO   3           2HG      PRO   3   6.995  -6.562  -0.545
   24    HD2  PRO   3           1HD      PRO   3   4.944  -5.380   1.094
   25    HD3  PRO   3           2HD      PRO   3   6.333  -6.335   1.614
   26    HA   PRO   4           HA       PRO   4   5.429  -0.274  -1.198
   27    HB2  PRO   4           1HB      PRO   4   3.144  -0.153   0.535
   28    HB3  PRO   4           2HB      PRO   4   3.192  -0.520  -1.193
   29    HG2  PRO   4           1HG      PRO   4   2.676  -2.294   0.943
   30    HG3  PRO   4           2HG      PRO   4   2.813  -2.674  -0.777
   31    HD2  PRO   4           1HD      PRO   4   4.676  -3.272   1.356
   32    HD3  PRO   4           2HD      PRO   4   4.746  -3.772  -0.347
   33    H    THR   5           H        THR   5   5.631   1.873  -0.555
   34    HA   THR   5           HA       THR   5   6.481   2.289   2.265
   35    HB   THR   5           HB       THR   5   8.182   3.220   1.028
   36    HG1  THR   5           HG1      THR   5   6.654   4.932   2.026
   37   HG21  THR   5          3HG2      THR   5   6.115   3.865  -1.091
   38   HG22  THR   5          1HG2      THR   5   7.258   2.523  -1.125
   39   HG23  THR   5          2HG2      THR   5   7.845   4.182  -1.236
   40    HA   PRO   6           HA       PRO   6   2.450   4.073   2.950
   41    HB2  PRO   6           1HB      PRO   6   3.409   5.640   5.167
   42    HB3  PRO   6           2HB      PRO   6   2.443   4.160   5.210
   43    HG2  PRO   6           1HG      PRO   6   5.224   4.511   5.796
   44    HG3  PRO   6           2HG      PRO   6   4.225   3.063   5.966
   45    HD2  PRO   6           1HD      PRO   6   6.270   3.496   4.058
   46    HD3  PRO   6           2HD      PRO   6   5.113   2.151   4.092
   47    HA   PRO   7           HA       PRO   7   2.791   8.114   1.078
   48    HB2  PRO   7           1HB      PRO   7   0.338   9.093   2.191
   49    HB3  PRO   7           2HB      PRO   7   0.626   8.473   0.560
   50    HG2  PRO   7           1HG      PRO   7  -0.856   7.261   2.608
   51    HG3  PRO   7           2HG      PRO   7  -0.421   6.570   1.043
   52    HD2  PRO   7           1HD      PRO   7   0.654   5.946   3.687
   53    HD3  PRO   7           2HD      PRO   7   0.852   5.079   2.151
   54    H    GLY   8           H        GLY   8   2.524  10.546   1.740
   55    HA2  GLY   8           1HA      GLY   8   3.936  10.912   4.281
   56    HA3  GLY   8           2HA      GLY   8   3.513  12.190   3.137
   57    H    GLU   9           H        GLU   9   3.050  12.811   5.736
   58    HA   GLU   9           HA       GLU   9   0.493  11.978   6.742
   59    HB2  GLU   9           1HB      GLU   9   2.103  14.484   7.296
   60    HB3  GLU   9           2HB      GLU   9   0.688  13.981   8.220
   61    HG2  GLU   9           1HG      GLU   9   2.436  13.090   9.493
   62    HG3  GLU   9           2HG      GLU   9   1.989  11.720   8.477
   63    H    GLU  10           H        GLU  10   1.495  14.844   4.879
   64    HA   GLU  10           HA       GLU  10  -1.281  15.776   4.693
   65    HB2  GLU  10           1HB      GLU  10  -0.400  17.677   3.580
   66    HB3  GLU  10           2HB      GLU  10   0.814  17.265   4.788
   67    HG2  GLU  10           1HG      GLU  10   2.039  15.963   3.038
   68    HG3  GLU  10           2HG      GLU  10   0.876  16.545   1.847
   69    H    ALA  11           H        ALA  11   0.449  13.387   3.171
   70    HA   ALA  11           HA       ALA  11  -0.180  13.746   0.420
   71    HB1  ALA  11           1HB      ALA  11   0.954  11.708   2.057
   72    HB2  ALA  11           2HB      ALA  11   0.997  11.833   0.299
   73    HB3  ALA  11           3HB      ALA  11  -0.317  10.964   1.090
   74    HA   PRO  12           HA       PRO  12  -4.570  13.376   0.218
   75    HB2  PRO  12           1HB      PRO  12  -4.530  11.663  -2.113
   76    HB3  PRO  12           2HB      PRO  12  -4.875  13.398  -2.043
   77    HG2  PRO  12           1HG      PRO  12  -2.465  12.051  -2.913
   78    HG3  PRO  12           2HG      PRO  12  -2.909  13.755  -3.064
   79    HD2  PRO  12           1HD      PRO  12  -0.927  12.736  -1.380
   80    HD3  PRO  12           2HD      PRO  12  -1.665  14.346  -1.253
   81    H    VAL  13           H        VAL  13  -6.222  11.863   0.710
   82    HA   VAL  13           HA       VAL  13  -5.420   9.473   2.069
   83    HB   VAL  13           HB       VAL  13  -7.738   9.131   2.454
   84   HG11  VAL  13          1HG1      VAL  13  -8.223  11.109   3.492
   85   HG12  VAL  13          2HG1      VAL  13  -7.953  12.057   2.031
   86   HG13  VAL  13          3HG1      VAL  13  -6.581  11.519   3.000
   87   HG21  VAL  13          3HG2      VAL  13  -8.012  10.533  -0.180
   88   HG22  VAL  13          1HG2      VAL  13  -9.353  10.612   0.964
   89   HG23  VAL  13          2HG2      VAL  13  -8.783   9.049   0.379
   90    H    GLU  14           H        GLU  14  -6.224  10.167  -1.242
   91    HA   GLU  14           HA       GLU  14  -7.016   7.575  -2.106
   92    HB2  GLU  14           1HB      GLU  14  -7.206   9.676  -3.464
   93    HB3  GLU  14           2HB      GLU  14  -5.453   9.659  -3.662
   94    HG2  GLU  14           1HG      GLU  14  -6.374   8.613  -5.613
   95    HG3  GLU  14           2HG      GLU  14  -5.694   7.324  -4.619
   96    H    ASP  15           H        ASP  15  -3.870   9.093  -1.607
   97    HA   ASP  15           HA       ASP  15  -2.288   7.078  -2.821
   98    HB2  ASP  15           1HB      ASP  15  -1.667   8.903  -0.484
   99    HB3  ASP  15           2HB      ASP  15  -0.467   7.916  -1.320
  100    H    LEU  16           H        LEU  16  -3.615   7.385   0.453
  101    HA   LEU  16           HA       LEU  16  -2.316   5.106   1.582
  102    HB2  LEU  16           1HB      LEU  16  -3.615   6.838   2.874
  103    HB3  LEU  16           2HB      LEU  16  -5.099   6.122   2.242
  104    HG   LEU  16           HG       LEU  16  -3.187   4.209   3.451
  105   HD11  LEU  16          1HD1      LEU  16  -4.323   4.917   5.740
  106   HD12  LEU  16          2HD1      LEU  16  -4.403   6.496   4.960
  107   HD13  LEU  16          3HD1      LEU  16  -2.843   5.706   5.194
  108   HD21  LEU  16          3HD2      LEU  16  -6.088   4.571   4.149
  109   HD22  LEU  16          1HD2      LEU  16  -5.153   3.081   4.025
  110   HD23  LEU  16          2HD2      LEU  16  -5.653   3.933   2.563
  111    H    ILE  17           H        ILE  17  -5.329   5.460  -0.267
  112    HA   ILE  17           HA       ILE  17  -6.172   2.732  -0.016
  113    HB   ILE  17           HB       ILE  17  -6.641   4.696  -2.285
  114   HG12  ILE  17          1HG1      ILE  17  -8.365   3.976   0.110
  115   HG13  ILE  17          2HG1      ILE  17  -7.413   5.454  -0.033
  116   HG21  ILE  17          1HG2      ILE  17  -8.109   2.150  -1.526
  117   HG22  ILE  17          2HG2      ILE  17  -7.058   2.345  -2.928
  118   HG23  ILE  17          3HG2      ILE  17  -8.565   3.255  -2.824
  119   HD11  ILE  17          3HD1      ILE  17  -9.690   5.955  -0.695
  120   HD12  ILE  17          1HD1      ILE  17  -9.707   4.596  -1.818
  121   HD13  ILE  17          2HD1      ILE  17  -8.676   5.991  -2.136
  122    H    ARG  18           H        ARG  18  -4.118   4.408  -2.388
  123    HA   ARG  18           HA       ARG  18  -3.694   2.211  -4.118
  124    HB2  ARG  18           1HB      ARG  18  -2.971   4.520  -4.650
  125    HB3  ARG  18           2HB      ARG  18  -1.753   4.427  -3.378
  126    HG2  ARG  18           1HG      ARG  18  -0.344   3.194  -4.657
  127    HG3  ARG  18           2HG      ARG  18  -1.649   2.192  -5.285
  128    HD2  ARG  18           1HD      ARG  18  -1.447   5.044  -6.187
  129    HD3  ARG  18           2HD      ARG  18  -0.371   3.839  -6.896
  130    HE   ARG  18           HE       ARG  18  -2.892   2.683  -7.073
  131   HH11  ARG  18          1HH1      ARG  18  -0.916   4.846  -8.722
  132   HH12  ARG  18          2HH1      ARG  18  -2.147   5.416  -9.799
  133   HH21  ARG  18          1HH2      ARG  18  -4.722   3.769  -8.158
  134   HH22  ARG  18          2HH2      ARG  18  -4.303   4.808  -9.480
  135    H    PHE  19           H        PHE  19  -2.132   3.130  -1.087
  136    HA   PHE  19           HA       PHE  19  -0.053   1.184  -1.083
  137    HB2  PHE  19           1HB      PHE  19  -0.060   2.930   0.592
  138    HB3  PHE  19           2HB      PHE  19  -1.635   2.416   1.193
  139    HD1  PHE  19           HD1      PHE  19  -1.887   0.323   2.454
  140    HD2  PHE  19           HD2      PHE  19   1.967   1.702   1.154
  141    HE1  PHE  19           HE1      PHE  19  -0.796  -1.263   4.014
  142    HE2  PHE  19           HE2      PHE  19   3.060   0.114   2.715
  143    HZ   PHE  19           HZ       PHE  19   1.678  -1.369   4.145
  144    H    TYR  20           H        TYR  20  -3.443   1.018  -0.034
  145    HA   TYR  20           HA       TYR  20  -3.379  -1.595   1.068
  146    HB2  TYR  20           1HB      TYR  20  -5.307  -0.063   1.297
  147    HB3  TYR  20           2HB      TYR  20  -5.646  -0.244  -0.425
  148    HD1  TYR  20           HD1      TYR  20  -5.378  -2.130   2.783
  149    HD2  TYR  20           HD2      TYR  20  -6.851  -2.101  -1.251
  150    HE1  TYR  20           HE1      TYR  20  -6.687  -4.188   3.247
  151    HE2  TYR  20           HE2      TYR  20  -8.157  -4.158  -0.790
  152    HH   TYR  20           HH       TYR  20  -9.078  -5.370   1.058
  153    H    ASN  21           H        ASN  21  -3.982  -0.545  -2.306
  154    HA   ASN  21           HA       ASN  21  -4.448  -3.182  -3.308
  155    HB2  ASN  21           1HB      ASN  21  -4.322  -2.230  -5.457
  156    HB3  ASN  21           2HB      ASN  21  -4.900  -0.910  -4.450
  157   HD21  ASN  21          2HD2      ASN  21  -1.607  -2.252  -5.146
  158   HD22  ASN  21          1HD2      ASN  21  -0.930  -0.746  -5.532
  159    H    ASP  22           H        ASP  22  -1.490  -1.264  -2.899
  160    HA   ASP  22           HA       ASP  22   0.234  -3.102  -4.261
  161    HB2  ASP  22           1HB      ASP  22   0.805  -0.712  -3.572
  162    HB3  ASP  22           2HB      ASP  22   1.069  -1.329  -1.944
  163    H    LEU  23           H        LEU  23  -1.118  -3.057  -1.011
  164    HA   LEU  23           HA       LEU  23   0.675  -5.037   0.093
  165    HB2  LEU  23           1HB      LEU  23  -0.781  -3.527   1.468
  166    HB3  LEU  23           2HB      LEU  23  -2.191  -4.414   0.891
  167    HG   LEU  23           HG       LEU  23  -0.159  -6.238   1.879
  168   HD11  LEU  23          1HD1      LEU  23  -1.120  -4.028   3.713
  169   HD12  LEU  23          2HD1      LEU  23   0.546  -4.503   3.382
  170   HD13  LEU  23          3HD1      LEU  23  -0.508  -5.570   4.310
  171   HD21  LEU  23          3HD2      LEU  23  -2.521  -6.816   1.560
  172   HD22  LEU  23          1HD2      LEU  23  -3.000  -5.584   2.727
  173   HD23  LEU  23          2HD2      LEU  23  -2.089  -6.997   3.260
  174    H    GLN  24           H        GLN  24  -2.432  -5.159  -1.619
  175    HA   GLN  24           HA       GLN  24  -2.941  -7.942  -1.304
  176    HB2  GLN  24           1HB      GLN  24  -4.520  -6.235  -2.295
  177    HB3  GLN  24           2HB      GLN  24  -3.548  -6.277  -3.766
  178    HG2  GLN  24           1HG      GLN  24  -3.937  -8.759  -3.872
  179    HG3  GLN  24           2HG      GLN  24  -5.046  -8.594  -2.511
  180   HE21  GLN  24          2HE2      GLN  24  -7.190  -8.292  -3.113
  181   HE22  GLN  24          1HE2      GLN  24  -7.708  -7.622  -4.584
  182    H    GLN  25           H        GLN  25  -1.103  -6.178  -3.810
  183    HA   GLN  25           HA       GLN  25  -0.337  -8.505  -5.305
  184    HB2  GLN  25           1HB      GLN  25  -0.128  -6.096  -6.078
  185    HB3  GLN  25           2HB      GLN  25   1.268  -5.948  -5.009
  186    HG2  GLN  25           1HG      GLN  25   2.330  -7.870  -6.197
  187    HG3  GLN  25           2HG      GLN  25   0.972  -7.888  -7.321
  188   HE21  GLN  25          2HE2      GLN  25   1.146  -6.517  -9.125
  189   HE22  GLN  25          1HE2      GLN  25   2.281  -5.263  -9.270
  190    H    TYR  26           H        TYR  26   0.982  -6.900  -2.477
  191    HA   TYR  26           HA       TYR  26   3.496  -8.252  -2.358
  192    HB2  TYR  26           1HB      TYR  26   3.297  -6.361  -0.978
  193    HB3  TYR  26           2HB      TYR  26   1.727  -6.867  -0.361
  194    HD1  TYR  26           HD1      TYR  26   4.563  -9.167  -0.702
  195    HD2  TYR  26           HD2      TYR  26   2.327  -6.705   1.995
  196    HE1  TYR  26           HE1      TYR  26   5.675 -10.277   1.217
  197    HE2  TYR  26           HE2      TYR  26   3.427  -7.811   3.921
  198    HH   TYR  26           HH       TYR  26   5.847 -10.388   3.421
  199    H    LEU  27           H        LEU  27   0.459  -8.949  -0.582
  200    HA   LEU  27           HA       LEU  27   1.513 -11.480   0.397
  201    HB2  LEU  27           1HB      LEU  27  -1.278 -10.308   0.467
  202    HB3  LEU  27           2HB      LEU  27  -0.779 -11.773   1.316
  203    HG   LEU  27           HG       LEU  27   0.455  -9.027   1.698
  204   HD11  LEU  27          1HD1      LEU  27  -1.914  -9.419   2.600
  205   HD12  LEU  27          2HD1      LEU  27  -0.703  -8.940   3.789
  206   HD13  LEU  27          3HD1      LEU  27  -1.198 -10.628   3.666
  207   HD21  LEU  27          3HD2      LEU  27   2.188 -10.387   2.338
  208   HD22  LEU  27          1HD2      LEU  27   1.136 -11.777   2.601
  209   HD23  LEU  27          2HD2      LEU  27   1.240 -10.507   3.821
  210    H    ASN  28           H        ASN  28  -0.707 -10.490  -2.191
  211    HA   ASN  28           HA       ASN  28  -1.707 -13.065  -2.862
  212    HB2  ASN  28           1HB      ASN  28  -2.525 -10.832  -3.735
  213    HB3  ASN  28           2HB      ASN  28  -1.146 -10.846  -4.837
  214   HD21  ASN  28          2HD2      ASN  28  -1.650 -11.711  -6.839
  215   HD22  ASN  28          1HD2      ASN  28  -2.825 -12.901  -7.131
  216    H    VAL  29           H        VAL  29   1.222 -11.392  -4.031
  217    HA   VAL  29           HA       VAL  29   1.943 -13.488  -5.877
  218    HB   VAL  29           HB       VAL  29   4.132 -12.321  -5.930
  219   HG11  VAL  29          1HG1      VAL  29   1.648 -10.590  -5.993
  220   HG12  VAL  29          2HG1      VAL  29   2.414 -11.411  -7.354
  221   HG13  VAL  29          3HG1      VAL  29   3.220 -10.047  -6.578
  222   HG21  VAL  29          3HG2      VAL  29   2.962 -11.082  -3.478
  223   HG22  VAL  29          1HG2      VAL  29   4.001 -10.084  -4.492
  224   HG23  VAL  29          2HG2      VAL  29   4.624 -11.578  -3.792
  225    H    VAL  30           H        VAL  30   2.460 -12.823  -2.502
  226    HA   VAL  30           HA       VAL  30   3.389 -14.117  -0.791
  227    HB   VAL  30           HB       VAL  30   3.015 -16.297  -2.858
  228   HG11  VAL  30          1HG1      VAL  30   4.504 -17.027  -1.073
  229   HG12  VAL  30          2HG1      VAL  30   2.924 -17.771  -0.833
  230   HG13  VAL  30          3HG1      VAL  30   3.405 -16.386   0.147
  231   HG21  VAL  30          3HG2      VAL  30   0.960 -14.989  -2.280
  232   HG22  VAL  30          1HG2      VAL  30   1.202 -15.431  -0.589
  233   HG23  VAL  30          2HG2      VAL  30   0.867 -16.681  -1.789
  Start of MODEL    6
    1    H2   PRO   1           1H       PRO   1  10.354  -8.834   1.938
    2    H3   PRO   1           2H       PRO   1  11.586  -8.666   3.100
    3    HA   PRO   1           HA       PRO   1  11.303  -6.486   2.920
    4    HB2  PRO   1           1HB      PRO   1  12.153  -6.087   0.204
    5    HB3  PRO   1           2HB      PRO   1  13.100  -5.880   1.692
    6    HG2  PRO   1           1HG      PRO   1  13.494  -7.859  -0.199
    7    HG3  PRO   1           2HG      PRO   1  14.088  -7.886   1.466
    8    HD2  PRO   1           1HD      PRO   1  11.764  -9.335   0.276
    9    HD3  PRO   1           2HD      PRO   1  12.815  -9.803   1.630
   10    H    PHE   2           H        PHE   2   9.809  -4.911   2.330
   11    HA   PHE   2           HA       PHE   2   7.829  -5.727   0.245
   12    HB2  PHE   2           1HB      PHE   2   6.087  -4.753   1.512
   13    HB3  PHE   2           2HB      PHE   2   7.082  -5.579   2.711
   14    HD1  PHE   2           HD1      PHE   2   9.115  -4.092   3.624
   15    HD2  PHE   2           HD2      PHE   2   5.472  -2.552   1.953
   16    HE1  PHE   2           HE1      PHE   2   9.490  -1.944   4.802
   17    HE2  PHE   2           HE2      PHE   2   5.845  -0.400   3.132
   18    HZ   PHE   2           HZ       PHE   2   7.853  -0.096   4.554
   19    HA   PRO   3           HA       PRO   3   9.738  -2.105  -1.670
   20    HB2  PRO   3           1HB      PRO   3   7.962  -2.427  -3.904
   21    HB3  PRO   3           2HB      PRO   3   9.692  -2.758  -3.809
   22    HG2  PRO   3           1HG      PRO   3   7.578  -4.619  -3.938
   23    HG3  PRO   3           2HG      PRO   3   9.307  -4.940  -3.777
   24    HD2  PRO   3           1HD      PRO   3   7.246  -5.235  -1.794
   25    HD3  PRO   3           2HD      PRO   3   8.960  -5.639  -1.646
   26    HA   PRO   4           HA       PRO   4   5.442   0.096  -2.258
   27    HB2  PRO   4           1HB      PRO   4   3.567  -1.253  -0.551
   28    HB3  PRO   4           2HB      PRO   4   3.465  -1.012  -2.299
   29    HG2  PRO   4           1HG      PRO   4   3.965  -3.416  -0.915
   30    HG3  PRO   4           2HG      PRO   4   4.008  -3.144  -2.660
   31    HD2  PRO   4           1HD      PRO   4   6.226  -3.574  -0.841
   32    HD3  PRO   4           2HD      PRO   4   6.247  -3.479  -2.613
   33    H    THR   5           H        THR   5   5.505   1.909  -0.995
   34    HA   THR   5           HA       THR   5   5.796   1.542   1.959
   35    HB   THR   5           HB       THR   5   6.910   3.703   0.147
   36    HG1  THR   5           HG1      THR   5   8.448   2.274   0.165
   37   HG21  THR   5          3HG2      THR   5   6.145   4.761   2.189
   38   HG22  THR   5          1HG2      THR   5   7.899   4.607   2.269
   39   HG23  THR   5          2HG2      THR   5   6.876   3.490   3.169
   40    HA   PRO   6           HA       PRO   6   1.685   3.376   1.563
   41    HB2  PRO   6           1HB      PRO   6   1.545   3.711   4.417
   42    HB3  PRO   6           2HB      PRO   6   0.695   2.533   3.409
   43    HG2  PRO   6           1HG      PRO   6   2.933   2.132   5.147
   44    HG3  PRO   6           2HG      PRO   6   1.999   0.936   4.244
   45    HD2  PRO   6           1HD      PRO   6   4.655   1.752   3.729
   46    HD3  PRO   6           2HD      PRO   6   3.638   0.730   2.692
   47    HA   PRO   7           HA       PRO   7   2.615   7.722   1.906
   48    HB2  PRO   7           1HB      PRO   7  -0.118   8.468   2.355
   49    HB3  PRO   7           2HB      PRO   7   0.805   8.561   0.849
   50    HG2  PRO   7           1HG      PRO   7  -1.287   6.779   1.513
   51    HG3  PRO   7           2HG      PRO   7  -0.332   6.833   0.030
   52    HD2  PRO   7           1HD      PRO   7  -0.234   4.883   2.151
   53    HD3  PRO   7           2HD      PRO   7   0.648   4.902   0.611
   54    H    GLY   8           H        GLY   8   2.339   9.590   3.451
   55    HA2  GLY   8           1HA      GLY   8   2.340   8.634   6.219
   56    HA3  GLY   8           2HA      GLY   8   2.625  10.297   5.699
   57    H    GLU   9           H        GLU   9   1.003  10.102   7.839
   58    HA   GLU   9           HA       GLU   9  -1.777   9.674   7.262
   59    HB2  GLU   9           1HB      GLU   9  -0.451  11.364   9.399
   60    HB3  GLU   9           2HB      GLU   9  -2.168  10.965   9.362
   61    HG2  GLU   9           1HG      GLU   9  -1.573   8.546   9.395
   62    HG3  GLU   9           2HG      GLU   9   0.127   8.993   9.545
   63    H    GLU  10           H        GLU  10   0.279  12.548   7.111
   64    HA   GLU  10           HA       GLU  10  -1.849  14.419   6.632
   65    HB2  GLU  10           1HB      GLU  10   1.093  14.537   5.908
   66    HB3  GLU  10           2HB      GLU  10  -0.020  15.903   5.800
   67    HG2  GLU  10           1HG      GLU  10  -0.510  15.664   8.227
   68    HG3  GLU  10           2HG      GLU  10   0.676  14.362   8.317
   69    H    ALA  11           H        ALA  11   0.028  12.325   4.507
   70    HA   ALA  11           HA       ALA  11  -0.639  13.584   2.039
   71    HB1  ALA  11           1HB      ALA  11   0.378  11.779   1.043
   72    HB2  ALA  11           2HB      ALA  11  -0.399  10.618   2.116
   73    HB3  ALA  11           3HB      ALA  11   0.986  11.550   2.682
   74    HA   PRO  12           HA       PRO  12  -4.923  12.869   1.398
   75    HB2  PRO  12           1HB      PRO  12  -4.599  11.830  -1.281
   76    HB3  PRO  12           2HB      PRO  12  -5.116  13.451  -0.797
   77    HG2  PRO  12           1HG      PRO  12  -2.530  12.563  -1.774
   78    HG3  PRO  12           2HG      PRO  12  -3.145  14.208  -1.575
   79    HD2  PRO  12           1HD      PRO  12  -1.160  13.054  -0.017
   80    HD3  PRO  12           2HD      PRO  12  -2.131  14.461   0.456
   81    H    VAL  13           H        VAL  13  -6.395  11.168   1.516
   82    HA   VAL  13           HA       VAL  13  -5.409   8.557   2.178
   83    HB   VAL  13           HB       VAL  13  -7.607   9.676   2.909
   84   HG11  VAL  13          1HG1      VAL  13  -8.104   9.823   0.244
   85   HG12  VAL  13          2HG1      VAL  13  -9.379   9.796   1.463
   86   HG13  VAL  13          3HG1      VAL  13  -8.925   8.310   0.626
   87   HG21  VAL  13          3HG2      VAL  13  -7.821   7.595   3.753
   88   HG22  VAL  13          1HG2      VAL  13  -6.909   6.908   2.409
   89   HG23  VAL  13          2HG2      VAL  13  -8.653   7.133   2.269
   90    H    GLU  14           H        GLU  14  -6.245  10.001  -0.873
   91    HA   GLU  14           HA       GLU  14  -6.989   7.651  -2.307
   92    HB2  GLU  14           1HB      GLU  14  -5.633  10.196  -3.242
   93    HB3  GLU  14           2HB      GLU  14  -6.255   8.952  -4.326
   94    HG2  GLU  14           1HG      GLU  14  -8.044  10.471  -4.193
   95    HG3  GLU  14           2HG      GLU  14  -8.482   9.240  -3.010
   96    H    ASP  15           H        ASP  15  -3.825   9.121  -1.619
   97    HA   ASP  15           HA       ASP  15  -2.349   7.355  -3.278
   98    HB2  ASP  15           1HB      ASP  15  -0.400   8.035  -1.915
   99    HB3  ASP  15           2HB      ASP  15  -1.367   9.420  -2.405
  100    H    LEU  16           H        LEU  16  -3.493   7.103   0.043
  101    HA   LEU  16           HA       LEU  16  -2.077   4.713   0.744
  102    HB2  LEU  16           1HB      LEU  16  -3.222   6.153   2.404
  103    HB3  LEU  16           2HB      LEU  16  -4.778   5.705   1.707
  104    HG   LEU  16           HG       LEU  16  -3.571   3.252   2.155
  105   HD11  LEU  16          1HD1      LEU  16  -2.969   3.483   4.639
  106   HD12  LEU  16          2HD1      LEU  16  -2.831   5.214   4.334
  107   HD13  LEU  16          3HD1      LEU  16  -1.779   4.081   3.484
  108   HD21  LEU  16          3HD2      LEU  16  -5.865   3.543   2.625
  109   HD22  LEU  16          1HD2      LEU  16  -5.563   4.919   3.687
  110   HD23  LEU  16          2HD2      LEU  16  -5.148   3.287   4.216
  111    H    ILE  17           H        ILE  17  -5.207   5.306  -0.822
  112    HA   ILE  17           HA       ILE  17  -6.187   2.653  -0.837
  113    HB   ILE  17           HB       ILE  17  -6.517   4.807  -2.949
  114   HG12  ILE  17          1HG1      ILE  17  -8.374   4.014  -0.689
  115   HG13  ILE  17          2HG1      ILE  17  -7.233   5.354  -0.575
  116   HG21  ILE  17          1HG2      ILE  17  -8.787   3.159  -2.829
  117   HG22  ILE  17          2HG2      ILE  17  -7.418   2.049  -2.799
  118   HG23  ILE  17          3HG2      ILE  17  -7.587   3.205  -4.121
  119   HD11  ILE  17          3HD1      ILE  17  -8.424   5.924  -2.953
  120   HD12  ILE  17          1HD1      ILE  17  -8.981   6.567  -1.409
  121   HD13  ILE  17          2HD1      ILE  17  -9.762   5.148  -2.107
  122    H    ARG  18           H        ARG  18  -4.221   4.305  -3.351
  123    HA   ARG  18           HA       ARG  18  -4.000   2.020  -5.037
  124    HB2  ARG  18           1HB      ARG  18  -2.253   4.453  -4.672
  125    HB3  ARG  18           2HB      ARG  18  -1.850   3.193  -5.838
  126    HG2  ARG  18           1HG      ARG  18  -4.612   4.389  -5.801
  127    HG3  ARG  18           2HG      ARG  18  -3.296   5.218  -6.632
  128    HD2  ARG  18           1HD      ARG  18  -3.369   3.770  -8.357
  129    HD3  ARG  18           2HD      ARG  18  -3.305   2.382  -7.271
  130    HE   ARG  18           HE       ARG  18  -5.589   2.131  -7.758
  131   HH11  ARG  18          1HH2      ARG  18  -4.648   5.303  -8.562
  132   HH12  ARG  18          2HH2      ARG  18  -6.251   5.955  -8.518
  133   HH21  ARG  18          1HH1      ARG  18  -7.697   3.028  -7.346
  134   HH22  ARG  18          2HH1      ARG  18  -7.978   4.667  -7.833
  135    H    PHE  19           H        PHE  19  -1.939   3.089  -2.332
  136    HA   PHE  19           HA       PHE  19  -0.010   0.981  -2.700
  137    HB2  PHE  19           1HB      PHE  19  -0.692   2.835  -0.431
  138    HB3  PHE  19           2HB      PHE  19   0.442   1.505  -0.179
  139    HD1  PHE  19           HD1      PHE  19  -0.286   3.878  -2.959
  140    HD2  PHE  19           HD2      PHE  19   2.680   2.172  -0.377
  141    HE1  PHE  19           HE1      PHE  19   1.477   5.179  -4.134
  142    HE2  PHE  19           HE2      PHE  19   4.449   3.463  -1.551
  143    HZ   PHE  19           HZ       PHE  19   3.844   4.969  -3.426
  144    H    TYR  20           H        TYR  20  -3.021   1.245  -0.872
  145    HA   TYR  20           HA       TYR  20  -2.789  -1.150   0.625
  146    HB2  TYR  20           1HB      TYR  20  -4.636   0.554   0.844
  147    HB3  TYR  20           2HB      TYR  20  -5.326  -0.082  -0.649
  148    HD1  TYR  20           HD1      TYR  20  -4.381  -0.957   2.835
  149    HD2  TYR  20           HD2      TYR  20  -6.558  -2.134  -0.673
  150    HE1  TYR  20           HE1      TYR  20  -5.478  -2.768   4.125
  151    HE2  TYR  20           HE2      TYR  20  -7.657  -3.948   0.617
  152    HH   TYR  20           HH       TYR  20  -8.134  -4.603   2.826
  153    H    ASN  21           H        ASN  21  -3.825  -0.572  -2.736
  154    HA   ASN  21           HA       ASN  21  -4.566  -3.303  -3.240
  155    HB2  ASN  21           1HB      ASN  21  -4.741  -2.678  -5.504
  156    HB3  ASN  21           2HB      ASN  21  -5.139  -1.210  -4.625
  157   HD21  ASN  21          2HD2      ASN  21  -2.030  -2.765  -5.650
  158   HD22  ASN  21          1HD2      ASN  21  -1.392  -1.348  -6.331
  159    H    ASP  22           H        ASP  22  -1.509  -1.490  -3.707
  160    HA   ASP  22           HA       ASP  22  -0.067  -3.656  -4.891
  161    HB2  ASP  22           1HB      ASP  22   0.888  -1.373  -3.129
  162    HB3  ASP  22           2HB      ASP  22   1.967  -2.488  -3.965
  163    H    LEU  23           H        LEU  23  -0.806  -2.733  -1.578
  164    HA   LEU  23           HA       LEU  23   0.824  -4.698  -0.293
  165    HB2  LEU  23           1HB      LEU  23  -1.480  -2.986   0.479
  166    HB3  LEU  23           2HB      LEU  23  -1.167  -4.402   1.483
  167    HG   LEU  23           HG       LEU  23   0.043  -2.420   2.307
  168   HD11  LEU  23          1HD1      LEU  23   2.314  -3.969   1.279
  169   HD12  LEU  23          2HD1      LEU  23   1.031  -4.965   1.968
  170   HD13  LEU  23          3HD1      LEU  23   1.792  -3.709   2.944
  171   HD21  LEU  23          3HD2      LEU  23   2.033  -1.685   0.884
  172   HD22  LEU  23          1HD2      LEU  23   0.447  -1.130   0.360
  173   HD23  LEU  23          2HD2      LEU  23   1.225  -2.480  -0.465
  174    H    GLN  24           H        GLN  24  -2.474  -4.768  -1.606
  175    HA   GLN  24           HA       GLN  24  -3.303  -7.250  -0.526
  176    HB2  GLN  24           1HB      GLN  24  -3.828  -6.105  -3.292
  177    HB3  GLN  24           2HB      GLN  24  -4.665  -7.507  -2.626
  178    HG2  GLN  24           1HG      GLN  24  -5.483  -6.124  -0.746
  179    HG3  GLN  24           2HG      GLN  24  -4.660  -4.722  -1.426
  180   HE21  GLN  24          2HE2      GLN  24  -7.625  -5.183  -1.049
  181   HE22  GLN  24          1HE2      GLN  24  -8.302  -4.988  -2.593
  182    H    GLN  25           H        GLN  25  -1.274  -6.517  -3.360
  183    HA   GLN  25           HA       GLN  25  -0.843  -9.295  -4.069
  184    HB2  GLN  25           1HB      GLN  25   0.823  -6.815  -4.619
  185    HB3  GLN  25           2HB      GLN  25   1.118  -8.397  -5.345
  186    HG2  GLN  25           1HG      GLN  25  -1.140  -8.368  -6.338
  187    HG3  GLN  25           2HG      GLN  25  -1.442  -6.790  -5.608
  188   HE21  GLN  25          2HE2      GLN  25  -1.060  -7.770  -8.559
  189   HE22  GLN  25          1HE2      GLN  25   0.060  -6.659  -9.188
  190    H    TYR  26           H        TYR  26   0.794  -6.966  -1.982
  191    HA   TYR  26           HA       TYR  26   3.123  -8.402  -1.312
  192    HB2  TYR  26           1HB      TYR  26   2.751  -6.094  -0.586
  193    HB3  TYR  26           2HB      TYR  26   1.402  -6.612   0.418
  194    HD1  TYR  26           HD2      TYR  26   5.053  -7.074  -0.076
  195    HD2  TYR  26           HD1      TYR  26   1.720  -7.354   2.614
  196    HE1  TYR  26           HE2      TYR  26   6.614  -7.552   1.795
  197    HE2  TYR  26           HE1      TYR  26   3.277  -7.833   4.491
  198    HH   TYR  26           HH       TYR  26   6.111  -8.929   4.290
  199    H    LEU  27           H        LEU  27  -0.071  -8.463   0.270
  200    HA   LEU  27           HA       LEU  27   0.612 -10.396   2.250
  201    HB2  LEU  27           1HB      LEU  27  -1.964  -9.500   0.995
  202    HB3  LEU  27           2HB      LEU  27  -1.952 -10.780   2.210
  203    HG   LEU  27           HG       LEU  27  -0.610  -8.107   2.663
  204   HD11  LEU  27          1HD1      LEU  27  -2.578  -7.111   3.143
  205   HD12  LEU  27          2HD1      LEU  27  -3.134  -8.506   4.068
  206   HD13  LEU  27          3HD1      LEU  27  -3.359  -8.462   2.321
  207   HD21  LEU  27          3HD2      LEU  27  -1.740  -9.516   4.946
  208   HD22  LEU  27          1HD2      LEU  27  -0.082  -8.978   4.680
  209   HD23  LEU  27          2HD2      LEU  27  -0.614 -10.541   4.060
  210    H    ASN  28           H        ASN  28  -1.007 -10.851  -0.934
  211    HA   ASN  28           HA       ASN  28  -1.037 -13.735  -0.689
  212    HB2  ASN  28           1HB      ASN  28  -1.270 -11.891  -3.087
  213    HB3  ASN  28           2HB      ASN  28  -1.436 -13.645  -3.191
  214   HD21  ASN  28          2HD2      ASN  28  -2.689 -11.110  -0.931
  215   HD22  ASN  28          1HD2      ASN  28  -4.294 -11.662  -0.979
  216    H    VAL  29           H        VAL  29   1.161 -11.359  -2.032
  217    HA   VAL  29           HA       VAL  29   2.964 -13.176  -3.321
  218    HB   VAL  29           HB       VAL  29   3.330 -10.392  -2.183
  219   HG11  VAL  29          1HG1      VAL  29   5.522 -11.261  -2.232
  220   HG12  VAL  29          2HG1      VAL  29   5.355 -10.430  -3.779
  221   HG13  VAL  29          3HG1      VAL  29   5.211 -12.186  -3.701
  222   HG21  VAL  29          3HG2      VAL  29   3.448 -10.964  -5.089
  223   HG22  VAL  29          1HG2      VAL  29   2.688  -9.621  -4.235
  224   HG23  VAL  29          2HG2      VAL  29   1.868 -11.180  -4.334
  225    H    VAL  30           H        VAL  30   2.736 -11.861  -0.044
  226    HA   VAL  30           HA       VAL  30   3.841 -12.468   1.931
  227    HB   VAL  30           HB       VAL  30   4.061 -15.040   0.345
  228   HG11  VAL  30          1HG1      VAL  30   4.202 -15.776   2.965
  229   HG12  VAL  30          2HG1      VAL  30   5.100 -14.259   3.008
  230   HG13  VAL  30          3HG1      VAL  30   5.618 -15.561   1.936
  231   HG21  VAL  30          3HG2      VAL  30   1.771 -14.385   0.842
  232   HG22  VAL  30          1HG2      VAL  30   2.187 -14.076   2.527
  233   HG23  VAL  30          2HG2      VAL  30   2.217 -15.724   1.897
  Start of MODEL    7
    1    H2   PRO   1           1H       PRO   1   6.780  -7.615  -3.377
    2    H3   PRO   1           2H       PRO   1   6.623  -9.077  -4.231
    3    HA   PRO   1           HA       PRO   1   8.811  -9.009  -4.518
    4    HB2  PRO   1           1HB      PRO   1   9.031  -6.678  -6.182
    5    HB3  PRO   1           2HB      PRO   1   8.967  -8.378  -6.686
    6    HG2  PRO   1           1HG      PRO   1   6.986  -6.497  -7.123
    7    HG3  PRO   1           2HG      PRO   1   6.786  -8.252  -7.206
    8    HD2  PRO   1           1HD      PRO   1   5.969  -6.367  -5.042
    9    HD3  PRO   1           2HD      PRO   1   5.241  -7.912  -5.527
   10    H    PHE   2           H        PHE   2   7.686  -5.641  -4.050
   11    HA   PHE   2           HA       PHE   2   9.987  -5.284  -2.186
   12    HB2  PHE   2           1HB      PHE   2  10.495  -3.147  -3.068
   13    HB3  PHE   2           2HB      PHE   2  10.188  -4.125  -4.504
   14    HD1  PHE   2           HD2      PHE   2   7.913  -4.039  -5.596
   15    HD2  PHE   2           HD1      PHE   2   9.104  -1.296  -2.514
   16    HE1  PHE   2           HE2      PHE   2   6.072  -2.513  -6.247
   17    HE2  PHE   2           HE1      PHE   2   7.263   0.234  -3.166
   18    HZ   PHE   2           HZ       PHE   2   5.746  -0.375  -5.031
   19    HA   PRO   3           HA       PRO   3   6.766  -4.030   0.604
   20    HB2  PRO   3           1HB      PRO   3   8.459  -2.263   2.103
   21    HB3  PRO   3           2HB      PRO   3   7.944  -3.898   2.516
   22    HG2  PRO   3           1HG      PRO   3  10.514  -3.048   1.747
   23    HG3  PRO   3           2HG      PRO   3   9.959  -4.695   2.064
   24    HD2  PRO   3           1HD      PRO   3  10.586  -3.462  -0.478
   25    HD3  PRO   3           2HD      PRO   3  10.205  -5.156  -0.123
   26    HA   PRO   4           HA       PRO   4   5.441  -0.151  -1.222
   27    HB2  PRO   4           1HB      PRO   4   3.464   0.228   0.824
   28    HB3  PRO   4           2HB      PRO   4   3.220  -0.321  -0.839
   29    HG2  PRO   4           1HG      PRO   4   3.088  -1.837   1.572
   30    HG3  PRO   4           2HG      PRO   4   2.795  -2.370  -0.085
   31    HD2  PRO   4           1HD      PRO   4   5.022  -3.022   1.582
   32    HD3  PRO   4           2HD      PRO   4   4.763  -3.487  -0.110
   33    H    THR   5           H        THR   5   5.643   2.102  -0.725
   34    HA   THR   5           HA       THR   5   6.759   2.694   1.989
   35    HB   THR   5           HB       THR   5   7.530   4.207  -0.500
   36    HG1  THR   5           HG1      THR   5   8.112   1.656   0.123
   37   HG21  THR   5          3HG2      THR   5   7.969   4.873   2.017
   38   HG22  THR   5          1HG2      THR   5   9.240   5.076   0.809
   39   HG23  THR   5          2HG2      THR   5   9.262   3.680   1.887
   40    HA   PRO   6           HA       PRO   6   2.876   5.142   1.196
   41    HB2  PRO   6           1HB      PRO   6   2.577   5.348   4.048
   42    HB3  PRO   6           2HB      PRO   6   1.567   4.451   2.907
   43    HG2  PRO   6           1HG      PRO   6   3.513   3.459   4.762
   44    HG3  PRO   6           2HG      PRO   6   2.394   2.562   3.736
   45    HD2  PRO   6           1HD      PRO   6   5.192   2.731   3.430
   46    HD3  PRO   6           2HD      PRO   6   4.042   2.046   2.267
   47    HA   PRO   7           HA       PRO   7   4.876   9.041   2.140
   48    HB2  PRO   7           1HB      PRO   7   2.427  10.541   2.200
   49    HB3  PRO   7           2HB      PRO   7   3.608  10.432   0.889
   50    HG2  PRO   7           1HG      PRO   7   1.032   9.399   0.882
   51    HG3  PRO   7           2HG      PRO   7   2.319   9.020  -0.266
   52    HD2  PRO   7           1HD      PRO   7   1.262   7.388   1.962
   53    HD3  PRO   7           2HD      PRO   7   2.141   6.895   0.500
   54    H    GLY   8           H        GLY   8   3.315  11.167   3.536
   55    HA2  GLY   8           1HA      GLY   8   3.820  10.245   6.283
   56    HA3  GLY   8           2HA      GLY   8   3.369  11.885   5.805
   57    H    GLU   9           H        GLU   9   2.011  11.011   7.939
   58    HA   GLU   9           HA       GLU   9  -0.337   9.456   7.378
   59    HB2  GLU   9           1HB      GLU   9   0.547   9.874   9.670
   60    HB3  GLU   9           2HB      GLU   9   0.051  11.561   9.524
   61    HG2  GLU   9           1HG      GLU   9  -2.294  10.780   9.114
   62    HG3  GLU   9           2HG      GLU   9  -1.757   9.130   9.433
   63    H    GLU  10           H        GLU  10   0.327  12.929   7.272
   64    HA   GLU  10           HA       GLU  10  -2.392  13.754   6.850
   65    HB2  GLU  10           1HB      GLU  10   0.223  15.095   6.110
   66    HB3  GLU  10           2HB      GLU  10  -1.359  15.874   6.022
   67    HG2  GLU  10           1HG      GLU  10  -1.688  15.420   8.446
   68    HG3  GLU  10           2HG      GLU  10  -0.065  14.732   8.515
   69    H    ALA  11           H        ALA  11   0.069  12.515   4.687
   70    HA   ALA  11           HA       ALA  11  -0.550  13.427   2.198
   71    HB1  ALA  11           1HB      ALA  11   0.619  11.621   1.547
   72    HB2  ALA  11           2HB      ALA  11  -0.685  10.544   2.046
   73    HB3  ALA  11           3HB      ALA  11   0.547  11.034   3.208
   74    HA   PRO  12           HA       PRO  12  -4.813  13.125   1.237
   75    HB2  PRO  12           1HB      PRO  12  -4.423  11.788  -1.301
   76    HB3  PRO  12           2HB      PRO  12  -4.769  13.500  -1.015
   77    HG2  PRO  12           1HG      PRO  12  -2.246  12.223  -1.682
   78    HG3  PRO  12           2HG      PRO  12  -2.666  13.940  -1.683
   79    HD2  PRO  12           1HD      PRO  12  -0.960  12.719   0.137
   80    HD3  PRO  12           2HD      PRO  12  -1.779  14.274   0.394
   81    H    VAL  13           H        VAL  13  -6.531  11.581   1.255
   82    HA   VAL  13           HA       VAL  13  -5.912   9.002   2.335
   83    HB   VAL  13           HB       VAL  13  -8.252   8.625   2.337
   84   HG11  VAL  13          1HG1      VAL  13  -8.747  11.465   2.415
   85   HG12  VAL  13          2HG1      VAL  13  -7.189  11.106   3.161
   86   HG13  VAL  13          3HG1      VAL  13  -8.653  10.322   3.754
   87   HG21  VAL  13          3HG2      VAL  13  -8.286  10.583   0.036
   88   HG22  VAL  13          1HG2      VAL  13  -9.754  10.116   0.896
   89   HG23  VAL  13          2HG2      VAL  13  -8.811   8.899   0.036
   90    H    GLU  14           H        GLU  14  -6.108  10.181  -0.907
   91    HA   GLU  14           HA       GLU  14  -6.815   7.756  -2.253
   92    HB2  GLU  14           1HB      GLU  14  -5.039  10.051  -3.154
   93    HB3  GLU  14           2HB      GLU  14  -5.671   8.790  -4.213
   94    HG2  GLU  14           1HG      GLU  14  -7.981   9.456  -3.597
   95    HG3  GLU  14           2HG      GLU  14  -7.324  10.754  -2.599
   96    H    ASP  15           H        ASP  15  -3.769   9.097  -1.067
   97    HA   ASP  15           HA       ASP  15  -2.086   7.072  -2.181
   98    HB2  ASP  15           1HB      ASP  15  -1.729   8.857   0.242
   99    HB3  ASP  15           2HB      ASP  15  -0.462   7.810  -0.400
  100    H    LEU  16           H        LEU  16  -3.848   7.350   0.881
  101    HA   LEU  16           HA       LEU  16  -2.751   5.050   2.155
  102    HB2  LEU  16           1HB      LEU  16  -4.200   6.770   3.269
  103    HB3  LEU  16           2HB      LEU  16  -5.586   6.097   2.410
  104    HG   LEU  16           HG       LEU  16  -4.994   3.852   3.433
  105   HD11  LEU  16          1HD1      LEU  16  -2.857   5.565   4.532
  106   HD12  LEU  16          2HD1      LEU  16  -2.894   3.815   4.310
  107   HD13  LEU  16          3HD1      LEU  16  -3.655   4.541   5.726
  108   HD21  LEU  16          3HD2      LEU  16  -6.569   5.852   4.372
  109   HD22  LEU  16          1HD2      LEU  16  -5.458   5.679   5.730
  110   HD23  LEU  16          2HD2      LEU  16  -6.407   4.296   5.185
  111    H    ILE  17           H        ILE  17  -5.540   5.413  -0.027
  112    HA   ILE  17           HA       ILE  17  -6.427   2.709   0.074
  113    HB   ILE  17           HB       ILE  17  -6.553   4.780  -2.129
  114   HG12  ILE  17          1HG1      ILE  17  -8.710   3.655  -0.317
  115   HG13  ILE  17          2HG1      ILE  17  -7.833   5.150   0.016
  116   HG21  ILE  17          1HG2      ILE  17  -6.869   2.932  -3.442
  117   HG22  ILE  17          2HG2      ILE  17  -8.499   3.022  -2.771
  118   HG23  ILE  17          3HG2      ILE  17  -7.318   1.910  -2.077
  119   HD11  ILE  17          3HD1      ILE  17  -8.562   5.942  -2.294
  120   HD12  ILE  17          1HD1      ILE  17  -9.849   5.804  -1.095
  121   HD13  ILE  17          2HD1      ILE  17  -9.653   4.556  -2.326
  122    H    ARG  18           H        ARG  18  -4.164   4.305  -2.177
  123    HA   ARG  18           HA       ARG  18  -3.522   2.037  -3.732
  124    HB2  ARG  18           1HB      ARG  18  -2.773   4.292  -4.336
  125    HB3  ARG  18           2HB      ARG  18  -1.737   4.347  -2.909
  126    HG2  ARG  18           1HG      ARG  18  -1.218   1.938  -4.431
  127    HG3  ARG  18           2HG      ARG  18  -1.052   3.362  -5.462
  128    HD2  ARG  18           1HD      ARG  18   1.041   2.652  -4.152
  129    HD3  ARG  18           2HD      ARG  18   0.568   4.345  -4.021
  130    HE   ARG  18           HE       ARG  18  -0.749   3.090  -1.910
  131   HH11  ARG  18          1HH2      ARG  18   1.319   5.165  -1.420
  132   HH12  ARG  18          2HH2      ARG  18   2.548   4.288  -0.569
  133   HH21  ARG  18          1HH1      ARG  18   1.345   1.173  -1.512
  134   HH22  ARG  18          2HH1      ARG  18   2.561   2.026  -0.619
  135    H    PHE  19           H        PHE  19  -2.325   3.061  -0.560
  136    HA   PHE  19           HA       PHE  19  -0.176   1.188  -0.366
  137    HB2  PHE  19           1HB      PHE  19  -0.443   3.019   1.256
  138    HB3  PHE  19           2HB      PHE  19  -1.946   2.296   1.837
  139    HD1  PHE  19           HD2      PHE  19   1.708   1.658   1.435
  140    HD2  PHE  19           HD1      PHE  19  -1.925   0.560   3.444
  141    HE1  PHE  19           HE2      PHE  19   2.997   0.189   2.965
  142    HE2  PHE  19           HE1      PHE  19  -0.638  -0.912   4.971
  143    HZ   PHE  19           HZ       PHE  19   1.824  -1.096   4.732
  144    H    TYR  20           H        TYR  20  -3.556   0.956   0.796
  145    HA   TYR  20           HA       TYR  20  -3.373  -1.743   1.678
  146    HB2  TYR  20           1HB      TYR  20  -5.310  -0.221   2.151
  147    HB3  TYR  20           2HB      TYR  20  -5.802  -0.385   0.464
  148    HD1  TYR  20           HD1      TYR  20  -5.305  -2.211   3.652
  149    HD2  TYR  20           HD2      TYR  20  -6.846  -2.392  -0.353
  150    HE1  TYR  20           HE1      TYR  20  -6.441  -4.349   4.189
  151    HE2  TYR  20           HE2      TYR  20  -7.986  -4.530   0.183
  152    HH   TYR  20           HH       TYR  20  -8.704  -5.834   1.970
  153    H    ASN  21           H        ASN  21  -4.075  -0.322  -1.490
  154    HA   ASN  21           HA       ASN  21  -4.718  -2.744  -2.859
  155    HB2  ASN  21           1HB      ASN  21  -3.225  -0.375  -4.020
  156    HB3  ASN  21           2HB      ASN  21  -4.246  -1.519  -4.888
  157   HD21  ASN  21          2HD2      ASN  21  -6.236  -1.478  -2.551
  158   HD22  ASN  21          1HD2      ASN  21  -7.070  -0.010  -2.737
  159    H    ASP  22           H        ASP  22  -1.626  -1.059  -2.338
  160    HA   ASP  22           HA       ASP  22  -0.036  -3.016  -3.735
  161    HB2  ASP  22           1HB      ASP  22   0.709  -0.980  -1.617
  162    HB3  ASP  22           2HB      ASP  22   1.872  -1.915  -2.558
  163    H    LEU  23           H        LEU  23  -0.954  -2.577  -0.325
  164    HA   LEU  23           HA       LEU  23   0.722  -4.583   0.779
  165    HB2  LEU  23           1HB      LEU  23  -0.689  -2.945   2.081
  166    HB3  LEU  23           2HB      LEU  23  -2.097  -3.930   1.683
  167    HG   LEU  23           HG       LEU  23  -0.861  -5.907   2.692
  168   HD11  LEU  23          1HD1      LEU  23   1.130  -3.766   3.009
  169   HD12  LEU  23          2HD1      LEU  23   1.349  -5.517   3.021
  170   HD13  LEU  23          3HD1      LEU  23   0.836  -4.683   4.487
  171   HD21  LEU  23          3HD2      LEU  23  -1.137  -4.907   5.105
  172   HD22  LEU  23          1HD2      LEU  23  -2.557  -5.052   4.069
  173   HD23  LEU  23          2HD2      LEU  23  -1.755  -3.492   4.252
  174    H    GLN  24           H        GLN  24  -2.540  -4.814  -0.642
  175    HA   GLN  24           HA       GLN  24  -2.901  -7.616  -0.177
  176    HB2  GLN  24           1HB      GLN  24  -4.680  -5.992  -0.966
  177    HB3  GLN  24           2HB      GLN  24  -3.923  -6.043  -2.559
  178    HG2  GLN  24           1HG      GLN  24  -4.252  -8.483  -2.640
  179    HG3  GLN  24           2HG      GLN  24  -5.013  -8.438  -1.050
  180   HE21  GLN  24          2HE2      GLN  24  -7.236  -8.657  -1.341
  181   HE22  GLN  24          1HE2      GLN  24  -8.143  -7.862  -2.534
  182    H    GLN  25           H        GLN  25  -1.356  -5.798  -2.790
  183    HA   GLN  25           HA       GLN  25  -0.808  -7.989  -4.521
  184    HB2  GLN  25           1HB      GLN  25  -0.493  -5.554  -5.072
  185    HB3  GLN  25           2HB      GLN  25   0.938  -5.555  -4.042
  186    HG2  GLN  25           1HG      GLN  25   1.834  -7.457  -5.461
  187    HG3  GLN  25           2HG      GLN  25   0.493  -7.161  -6.570
  188   HE21  GLN  25          2HE2      GLN  25   1.201  -5.896  -8.300
  189   HE22  GLN  25          1HE2      GLN  25   2.294  -4.603  -8.179
  190    H    TYR  26           H        TYR  26   0.973  -6.693  -1.733
  191    HA   TYR  26           HA       TYR  26   3.274  -8.389  -2.000
  192    HB2  TYR  26           1HB      TYR  26   3.251  -6.357  -0.604
  193    HB3  TYR  26           2HB      TYR  26   2.085  -7.115   0.481
  194    HD1  TYR  26           HD2      TYR  26   5.530  -7.373  -0.869
  195    HD2  TYR  26           HD1      TYR  26   2.769  -8.680   2.147
  196    HE1  TYR  26           HE2      TYR  26   7.396  -8.448   0.365
  197    HE2  TYR  26           HE1      TYR  26   4.634  -9.760   3.382
  198    HH   TYR  26           HH       TYR  26   7.399 -10.583   2.182
  199    H    LEU  27           H        LEU  27   0.401  -8.674   0.103
  200    HA   LEU  27           HA       LEU  27   1.169 -11.307   1.046
  201    HB2  LEU  27           1HB      LEU  27  -1.389  -9.712   1.207
  202    HB3  LEU  27           2HB      LEU  27  -1.204 -11.302   1.952
  203    HG   LEU  27           HG       LEU  27   0.507  -8.860   2.516
  204   HD11  LEU  27          1HD1      LEU  27  -0.608  -9.552   4.881
  205   HD12  LEU  27          2HD1      LEU  27  -1.894 -10.067   3.789
  206   HD13  LEU  27          3HD1      LEU  27  -1.349  -8.390   3.781
  207   HD21  LEU  27          3HD2      LEU  27   0.726 -11.751   3.185
  208   HD22  LEU  27          1HD2      LEU  27   1.067 -10.617   4.491
  209   HD23  LEU  27          2HD2      LEU  27   1.997 -10.545   2.994
  210    H    ASN  28           H        ASN  28  -1.074 -10.082  -1.411
  211    HA   ASN  28           HA       ASN  28  -2.354 -12.535  -2.033
  212    HB2  ASN  28           1HB      ASN  28  -3.057 -10.278  -2.822
  213    HB3  ASN  28           2HB      ASN  28  -1.708 -10.292  -3.955
  214   HD21  ASN  28          2HD2      ASN  28  -2.040 -11.325  -5.915
  215   HD22  ASN  28          1HD2      ASN  28  -3.382 -12.294  -6.290
  216    H    VAL  29           H        VAL  29   0.649 -11.140  -3.401
  217    HA   VAL  29           HA       VAL  29   1.019 -13.333  -5.252
  218    HB   VAL  29           HB       VAL  29   3.331 -12.398  -5.455
  219   HG11  VAL  29          1HG1      VAL  29   2.521 -10.836  -6.880
  220   HG12  VAL  29          2HG1      VAL  29   1.721  -9.951  -5.582
  221   HG13  VAL  29          3HG1      VAL  29   0.930 -11.345  -6.315
  222   HG21  VAL  29          3HG2      VAL  29   4.006 -11.472  -3.463
  223   HG22  VAL  29          1HG2      VAL  29   2.378 -10.939  -3.049
  224   HG23  VAL  29          2HG2      VAL  29   3.342 -10.014  -4.199
  225    H    VAL  30           H        VAL  30   1.911 -12.656  -1.941
  226    HA   VAL  30           HA       VAL  30   2.916 -14.009  -0.313
  227    HB   VAL  30           HB       VAL  30   1.929 -16.123  -2.244
  228   HG11  VAL  30          1HG1      VAL  30   2.001 -17.375   0.139
  229   HG12  VAL  30          2HG1      VAL  30   3.367 -16.280   0.358
  230   HG13  VAL  30          3HG1      VAL  30   3.356 -17.417  -0.989
  231   HG21  VAL  30          3HG2      VAL  30   0.088 -14.868  -1.388
  232   HG22  VAL  30          1HG2      VAL  30   0.790 -14.809   0.230
  233   HG23  VAL  30          2HG2      VAL  30   0.163 -16.330  -0.405
  Start of MODEL    8
    1    H2   PRO   1           1H       PRO   1   7.774  -9.146   3.840
    2    H3   PRO   1           2H       PRO   1   9.009  -9.330   4.995
    3    HA   PRO   1           HA       PRO   1   9.266  -7.136   4.881
    4    HB2  PRO   1           1HB      PRO   1  10.227  -6.890   2.184
    5    HB3  PRO   1           2HB      PRO   1  11.178  -6.975   3.680
    6    HG2  PRO   1           1HG      PRO   1  11.082  -8.931   1.731
    7    HG3  PRO   1           2HG      PRO   1  11.624  -9.161   3.399
    8    HD2  PRO   1           1HD      PRO   1   9.017  -9.918   2.147
    9    HD3  PRO   1           2HD      PRO   1   9.898 -10.698   3.477
   10    H    PHE   2           H        PHE   2   8.478  -5.102   4.008
   11    HA   PHE   2           HA       PHE   2   6.156  -5.478   2.170
   12    HB2  PHE   2           1HB      PHE   2   4.951  -3.845   3.352
   13    HB3  PHE   2           2HB      PHE   2   5.791  -4.723   4.628
   14    HD1  PHE   2           HD1      PHE   2   7.979  -3.789   5.521
   15    HD2  PHE   2           HD2      PHE   2   5.343  -1.542   2.986
   16    HE1  PHE   2           HE1      PHE   2   9.083  -1.688   6.241
   17    HE2  PHE   2           HE2      PHE   2   6.446   0.561   3.703
   18    HZ   PHE   2           HZ       PHE   2   8.315   0.488   5.331
   19    HA   PRO   3           HA       PRO   3   9.062  -3.058  -0.341
   20    HB2  PRO   3           1HB      PRO   3   7.256  -3.361  -2.557
   21    HB3  PRO   3           2HB      PRO   3   8.826  -4.121  -2.295
   22    HG2  PRO   3           1HG      PRO   3   6.285  -5.327  -2.165
   23    HG3  PRO   3           2HG      PRO   3   7.856  -6.056  -1.815
   24    HD2  PRO   3           1HD      PRO   3   5.774  -5.310   0.035
   25    HD3  PRO   3           2HD      PRO   3   7.284  -6.156   0.377
   26    HA   PRO   4           HA       PRO   4   5.560   0.052  -1.633
   27    HB2  PRO   4           1HB      PRO   4   3.360  -0.328   0.184
   28    HB3  PRO   4           2HB      PRO   4   3.361  -0.441  -1.581
   29    HG2  PRO   4           1HG      PRO   4   3.132  -2.546   0.276
   30    HG3  PRO   4           2HG      PRO   4   3.285  -2.664  -1.480
   31    HD2  PRO   4           1HD      PRO   4   5.260  -3.284   0.559
   32    HD3  PRO   4           2HD      PRO   4   5.330  -3.590  -1.190
   33    H    THR   5           H        THR   5   6.006   2.027  -0.795
   34    HA   THR   5           HA       THR   5   6.170   2.299   2.177
   35    HB   THR   5           HB       THR   5   8.433   2.282   1.301
   36    HG1  THR   5           HG1      THR   5   7.380   4.824   1.930
   37   HG21  THR   5          3HG2      THR   5   8.137   4.672  -0.386
   38   HG22  THR   5          1HG2      THR   5   7.296   3.252  -1.008
   39   HG23  THR   5          2HG2      THR   5   9.030   3.182  -0.692
   40    HA   PRO   6           HA       PRO   6   3.033   5.236   0.464
   41    HB2  PRO   6           1HB      PRO   6   2.057   5.573   3.153
   42    HB3  PRO   6           2HB      PRO   6   1.257   4.782   1.789
   43    HG2  PRO   6           1HG      PRO   6   2.502   3.594   4.074
   44    HG3  PRO   6           2HG      PRO   6   1.599   2.816   2.771
   45    HD2  PRO   6           1HD      PRO   6   4.381   2.654   3.238
   46    HD3  PRO   6           2HD      PRO   6   3.507   2.057   1.816
   47    HA   PRO   7           HA       PRO   7   5.179   8.966   1.460
   48    HB2  PRO   7           1HB      PRO   7   2.822  10.602   1.540
   49    HB3  PRO   7           2HB      PRO   7   4.001  10.449   0.232
   50    HG2  PRO   7           1HG      PRO   7   1.343   9.423   0.363
   51    HG3  PRO   7           2HG      PRO   7   2.498   9.329  -0.968
   52    HD2  PRO   7           1HD      PRO   7   1.629   7.200   0.717
   53    HD3  PRO   7           2HD      PRO   7   2.876   7.144  -0.545
   54    H    GLY   8           H        GLY   8   1.996   9.410   3.022
   55    HA2  GLY   8           1HA      GLY   8   2.746   8.898   5.683
   56    HA3  GLY   8           2HA      GLY   8   3.150  10.587   5.379
   57    H    GLU   9           H        GLU   9   1.304  10.296   7.255
   58    HA   GLU   9           HA       GLU   9  -1.413  10.013   6.419
   59    HB2  GLU   9           1HB      GLU   9  -0.645   9.960   8.789
   60    HB3  GLU   9           2HB      GLU   9  -0.321  11.691   8.695
   61    HG2  GLU   9           1HG      GLU   9  -2.717  12.067   8.103
   62    HG3  GLU   9           2HG      GLU   9  -3.013  10.343   8.335
   63    H    GLU  10           H        GLU  10   0.779  12.775   6.424
   64    HA   GLU  10           HA       GLU  10  -1.123  14.838   6.012
   65    HB2  GLU  10           1HB      GLU  10   1.330  15.167   6.460
   66    HB3  GLU  10           2HB      GLU  10   1.648  14.693   4.790
   67    HG2  GLU  10           1HG      GLU  10   1.552  17.086   4.792
   68    HG3  GLU  10           2HG      GLU  10   0.030  16.534   4.091
   69    H    ALA  11           H        ALA  11   0.262  12.500   3.760
   70    HA   ALA  11           HA       ALA  11  -0.714  13.813   1.375
   71    HB1  ALA  11           1HB      ALA  11   1.111  12.207   1.223
   72    HB2  ALA  11           2HB      ALA  11  -0.259  11.606   0.291
   73    HB3  ALA  11           3HB      ALA  11   0.087  10.934   1.884
   74    HA   PRO  12           HA       PRO  12  -5.005  12.911   1.336
   75    HB2  PRO  12           1HB      PRO  12  -5.011  11.789  -1.332
   76    HB3  PRO  12           2HB      PRO  12  -5.523  13.409  -0.830
   77    HG2  PRO  12           1HG      PRO  12  -3.056  12.580  -2.124
   78    HG3  PRO  12           2HG      PRO  12  -3.712  14.206  -1.899
   79    HD2  PRO  12           1HD      PRO  12  -1.484  13.205  -0.589
   80    HD3  PRO  12           2HD      PRO  12  -2.457  14.580  -0.027
   81    H    VAL  13           H        VAL  13  -6.395  11.145   1.667
   82    HA   VAL  13           HA       VAL  13  -5.241   8.631   2.358
   83    HB   VAL  13           HB       VAL  13  -7.415   9.546   3.237
   84   HG11  VAL  13          1HG1      VAL  13  -9.435   9.157   1.852
   85   HG12  VAL  13          2HG1      VAL  13  -8.409   8.640   0.515
   86   HG13  VAL  13          3HG1      VAL  13  -8.341  10.307   1.086
   87   HG21  VAL  13          3HG2      VAL  13  -6.764   7.147   3.472
   88   HG22  VAL  13          1HG2      VAL  13  -7.591   6.799   1.954
   89   HG23  VAL  13          2HG2      VAL  13  -8.511   7.357   3.353
   90    H    GLU  14           H        GLU  14  -6.231   9.877  -0.702
   91    HA   GLU  14           HA       GLU  14  -6.948   7.449  -2.014
   92    HB2  GLU  14           1HB      GLU  14  -5.636   9.953  -3.120
   93    HB3  GLU  14           2HB      GLU  14  -6.340   8.668  -4.103
   94    HG2  GLU  14           1HG      GLU  14  -8.529   9.042  -2.991
   95    HG3  GLU  14           2HG      GLU  14  -7.818  10.370  -2.073
   96    H    ASP  15           H        ASP  15  -3.839   8.991  -1.363
   97    HA   ASP  15           HA       ASP  15  -2.263   7.307  -3.016
   98    HB2  ASP  15           1HB      ASP  15  -1.521   9.430  -1.807
   99    HB3  ASP  15           2HB      ASP  15  -1.359   8.430  -0.362
  100    H    LEU  16           H        LEU  16  -3.331   6.947   0.354
  101    HA   LEU  16           HA       LEU  16  -1.872   4.534   0.876
  102    HB2  LEU  16           1HB      LEU  16  -4.478   5.489   2.099
  103    HB3  LEU  16           2HB      LEU  16  -3.417   4.252   2.773
  104    HG   LEU  16           HG       LEU  16  -2.765   7.183   2.357
  105   HD11  LEU  16          1HD1      LEU  16  -4.084   6.730   4.362
  106   HD12  LEU  16          2HD1      LEU  16  -2.422   7.091   4.829
  107   HD13  LEU  16          3HD1      LEU  16  -2.992   5.422   4.818
  108   HD21  LEU  16          3HD2      LEU  16  -0.725   6.141   1.868
  109   HD22  LEU  16          1HD2      LEU  16  -1.046   4.785   2.949
  110   HD23  LEU  16          2HD2      LEU  16  -0.612   6.360   3.615
  111    H    ILE  17           H        ILE  17  -5.087   5.132  -0.511
  112    HA   ILE  17           HA       ILE  17  -6.029   2.457  -0.443
  113    HB   ILE  17           HB       ILE  17  -6.571   4.617  -2.496
  114   HG12  ILE  17          1HG1      ILE  17  -8.111   3.724  -0.035
  115   HG13  ILE  17          2HG1      ILE  17  -7.167   5.208  -0.161
  116   HG21  ILE  17          1HG2      ILE  17  -7.309   2.657  -3.545
  117   HG22  ILE  17          2HG2      ILE  17  -8.751   3.163  -2.664
  118   HG23  ILE  17          3HG2      ILE  17  -7.727   1.881  -2.018
  119   HD11  ILE  17          3HD1      ILE  17  -9.509   4.509  -1.953
  120   HD12  ILE  17          1HD1      ILE  17  -8.611   6.026  -1.946
  121   HD13  ILE  17          2HD1      ILE  17  -9.603   5.582  -0.558
  122    H    ARG  18           H        ARG  18  -4.233   4.136  -3.072
  123    HA   ARG  18           HA       ARG  18  -4.115   1.818  -4.743
  124    HB2  ARG  18           1HB      ARG  18  -2.218   4.175  -4.554
  125    HB3  ARG  18           2HB      ARG  18  -2.177   2.961  -5.835
  126    HG2  ARG  18           1HG      ARG  18  -4.769   3.580  -5.992
  127    HG3  ARG  18           2HG      ARG  18  -4.190   5.105  -5.317
  128    HD2  ARG  18           1HD      ARG  18  -4.084   5.333  -7.704
  129    HD3  ARG  18           2HD      ARG  18  -2.425   5.115  -7.144
  130    HE   ARG  18           HE       ARG  18  -3.265   2.533  -7.702
  131   HH11  ARG  18          1HH1      ARG  18  -1.905   5.132  -9.285
  132   HH12  ARG  18          2HH1      ARG  18  -2.292   4.601 -10.888
  133   HH21  ARG  18          1HH2      ARG  18  -4.351   2.021  -9.821
  134   HH22  ARG  18          2HH2      ARG  18  -3.679   2.838 -11.191
  135    H    PHE  19           H        PHE  19  -1.903   3.020  -2.226
  136    HA   PHE  19           HA       PHE  19   0.091   1.004  -2.597
  137    HB2  PHE  19           1HB      PHE  19  -0.733   2.713  -0.251
  138    HB3  PHE  19           2HB      PHE  19   0.503   1.465  -0.066
  139    HD1  PHE  19           HD1      PHE  19  -0.370   3.964  -2.733
  140    HD2  PHE  19           HD2      PHE  19   2.663   2.318  -0.180
  141    HE1  PHE  19           HE1      PHE  19   1.310   5.477  -3.754
  142    HE2  PHE  19           HE2      PHE  19   4.344   3.826  -1.201
  143    HZ   PHE  19           HZ       PHE  19   3.668   5.405  -2.989
  144    H    TYR  20           H        TYR  20  -2.977   1.079  -0.872
  145    HA   TYR  20           HA       TYR  20  -2.724  -1.358   0.576
  146    HB2  TYR  20           1HB      TYR  20  -4.621   0.279   0.815
  147    HB3  TYR  20           2HB      TYR  20  -5.229  -0.259  -0.749
  148    HD1  TYR  20           HD1      TYR  20  -4.533  -1.312   2.739
  149    HD2  TYR  20           HD2      TYR  20  -6.368  -2.350  -1.004
  150    HE1  TYR  20           HE1      TYR  20  -5.695  -3.209   3.834
  151    HE2  TYR  20           HE2      TYR  20  -7.528  -4.249   0.092
  152    HH   TYR  20           HH       TYR  20  -8.090  -5.144   2.102
  153    H    ASN  21           H        ASN  21  -3.604  -0.637  -2.776
  154    HA   ASN  21           HA       ASN  21  -4.364  -3.261  -3.573
  155    HB2  ASN  21           1HB      ASN  21  -4.591  -2.271  -5.591
  156    HB3  ASN  21           2HB      ASN  21  -4.047  -0.781  -4.824
  157   HD21  ASN  21          2HD2      ASN  21  -2.083   0.086  -5.569
  158   HD22  ASN  21          1HD2      ASN  21  -0.990  -0.739  -6.571
  159    H    ASP  22           H        ASP  22  -1.197  -1.635  -3.563
  160    HA   ASP  22           HA       ASP  22   0.315  -3.830  -4.598
  161    HB2  ASP  22           1HB      ASP  22   1.106  -1.575  -2.729
  162    HB3  ASP  22           2HB      ASP  22   2.256  -2.698  -3.457
  163    H    LEU  23           H        LEU  23  -0.713  -2.963  -1.323
  164    HA   LEU  23           HA       LEU  23   0.805  -4.960   0.069
  165    HB2  LEU  23           1HB      LEU  23  -1.645  -3.347   0.666
  166    HB3  LEU  23           2HB      LEU  23  -1.314  -4.751   1.679
  167    HG   LEU  23           HG       LEU  23   0.903  -2.799   1.113
  168   HD11  LEU  23          1HD1      LEU  23  -0.018  -1.918   3.502
  169   HD12  LEU  23          2HD1      LEU  23  -1.548  -2.331   2.729
  170   HD13  LEU  23          3HD1      LEU  23  -0.463  -1.168   1.969
  171   HD21  LEU  23          3HD2      LEU  23   0.520  -3.914   3.796
  172   HD22  LEU  23          1HD2      LEU  23   1.944  -3.961   2.757
  173   HD23  LEU  23          2HD2      LEU  23   0.665  -5.159   2.556
  174    H    GLN  24           H        GLN  24  -2.337  -5.018  -1.559
  175    HA   GLN  24           HA       GLN  24  -3.212  -7.577  -0.680
  176    HB2  GLN  24           1HB      GLN  24  -4.577  -5.922  -2.001
  177    HB3  GLN  24           2HB      GLN  24  -3.638  -6.362  -3.428
  178    HG2  GLN  24           1HG      GLN  24  -4.375  -8.687  -3.233
  179    HG3  GLN  24           2HG      GLN  24  -5.259  -8.303  -1.754
  180   HE21  GLN  24          2HE2      GLN  24  -6.848  -9.336  -3.707
  181   HE22  GLN  24          1HE2      GLN  24  -7.766  -8.130  -4.470
  182    H    GLN  25           H        GLN  25  -1.249  -6.661  -3.531
  183    HA   GLN  25           HA       GLN  25  -0.839  -9.350  -4.451
  184    HB2  GLN  25           1HB      GLN  25  -0.358  -7.358  -5.847
  185    HB3  GLN  25           2HB      GLN  25   0.965  -6.928  -4.762
  186    HG2  GLN  25           1HG      GLN  25   2.058  -9.101  -5.263
  187    HG3  GLN  25           2HG      GLN  25   0.758  -9.475  -6.395
  188   HE21  GLN  25          2HE2      GLN  25   3.353  -9.349  -7.423
  189   HE22  GLN  25          1HE2      GLN  25   3.537  -7.947  -8.361
  190    H    TYR  26           H        TYR  26   0.965  -7.252  -2.245
  191    HA   TYR  26           HA       TYR  26   3.158  -9.041  -1.788
  192    HB2  TYR  26           1HB      TYR  26   3.573  -6.846  -1.118
  193    HB3  TYR  26           2HB      TYR  26   1.987  -6.669  -0.384
  194    HD1  TYR  26           HD1      TYR  26   4.176  -9.574   0.133
  195    HD2  TYR  26           HD2      TYR  26   2.733  -5.898   1.783
  196    HE1  TYR  26           HE1      TYR  26   5.147 -10.189   2.331
  197    HE2  TYR  26           HE2      TYR  26   3.697  -6.502   3.986
  198    HH   TYR  26           HH       TYR  26   4.302  -8.909   5.129
  199    H    LEU  27           H        LEU  27   0.221  -8.410   0.166
  200    HA   LEU  27           HA       LEU  27   0.820 -10.583   1.990
  201    HB2  LEU  27           1HB      LEU  27  -1.713  -8.997   1.508
  202    HB3  LEU  27           2HB      LEU  27  -1.501 -10.158   2.821
  203    HG   LEU  27           HG       LEU  27   0.357  -7.808   2.362
  204   HD11  LEU  27          1HD1      LEU  27  -1.307  -7.625   4.727
  205   HD12  LEU  27          2HD1      LEU  27  -2.315  -7.741   3.286
  206   HD13  LEU  27          3HD1      LEU  27  -1.111  -6.459   3.420
  207   HD21  LEU  27          3HD2      LEU  27   1.598  -8.961   3.856
  208   HD22  LEU  27          1HD2      LEU  27   0.302 -10.127   4.127
  209   HD23  LEU  27          2HD2      LEU  27   0.338  -8.620   5.042
  210    H    ASN  28           H        ASN  28  -1.290 -10.227  -0.856
  211    HA   ASN  28           HA       ASN  28  -2.623 -12.739  -0.594
  212    HB2  ASN  28           1HB      ASN  28  -3.317 -10.903  -2.147
  213    HB3  ASN  28           2HB      ASN  28  -1.944 -11.309  -3.178
  214   HD21  ASN  28          2HD2      ASN  28  -2.220 -13.026  -4.638
  215   HD22  ASN  28          1HD2      ASN  28  -3.566 -14.059  -4.653
  216    H    VAL  29           H        VAL  29   0.412 -11.895  -2.285
  217    HA   VAL  29           HA       VAL  29   0.801 -14.618  -3.223
  218    HB   VAL  29           HB       VAL  29   3.011 -13.799  -3.924
  219   HG11  VAL  29          1HG1      VAL  29   2.225 -11.898  -5.361
  220   HG12  VAL  29          2HG1      VAL  29   0.723 -11.885  -4.438
  221   HG13  VAL  29          3HG1      VAL  29   1.153 -13.298  -5.401
  222   HG21  VAL  29          3HG2      VAL  29   2.325 -11.684  -1.971
  223   HG22  VAL  29          1HG2      VAL  29   3.122 -11.131  -3.443
  224   HG23  VAL  29          2HG2      VAL  29   3.902 -12.333  -2.415
  225    H    VAL  30           H        VAL  30   1.735 -12.699  -0.448
  226    HA   VAL  30           HA       VAL  30   2.827 -13.299   1.540
  227    HB   VAL  30           HB       VAL  30   1.938 -16.049   0.632
  228   HG11  VAL  30          1HG1      VAL  30   3.000 -14.964   3.247
  229   HG12  VAL  30          2HG1      VAL  30   3.557 -16.373   2.344
  230   HG13  VAL  30          3HG1      VAL  30   2.008 -16.422   3.185
  231   HG21  VAL  30          3HG2      VAL  30   0.632 -13.891   2.305
  232   HG22  VAL  30          1HG2      VAL  30   0.086 -15.568   2.314
  233   HG23  VAL  30          2HG2      VAL  30   0.019 -14.629   0.825
  Start of MODEL    9
    1    H2   PRO   1           1H       PRO   1   9.580  -7.096   3.490
    2    H3   PRO   1           2H       PRO   1  10.299  -8.636   3.428
    3    HA   PRO   1           HA       PRO   1   8.289  -9.456   3.053
    4    HB2  PRO   1           1HB      PRO   1   6.966  -8.771   5.510
    5    HB3  PRO   1           2HB      PRO   1   7.719 -10.315   5.063
    6    HG2  PRO   1           1HG      PRO   1   8.658  -8.543   6.980
    7    HG3  PRO   1           2HG      PRO   1   9.573  -9.863   6.240
    8    HD2  PRO   1           1HD      PRO   1   9.736  -6.940   5.706
    9    HD3  PRO   1           2HD      PRO   1  10.972  -8.196   5.495
   10    H    PHE   2           H        PHE   2   8.318  -6.128   4.096
   11    HA   PHE   2           HA       PHE   2   5.753  -5.749   2.622
   12    HB2  PHE   2           1HB      PHE   2   4.969  -4.196   4.191
   13    HB3  PHE   2           2HB      PHE   2   5.650  -5.477   5.188
   14    HD1  PHE   2           HD1      PHE   2   8.182  -5.202   5.840
   15    HD2  PHE   2           HD2      PHE   2   5.658  -1.984   4.520
   16    HE1  PHE   2           HE1      PHE   2   9.724  -3.563   6.884
   17    HE2  PHE   2           HE2      PHE   2   7.200  -0.346   5.566
   18    HZ   PHE   2           HZ       PHE   2   9.233  -1.135   6.746
   19    HA   PRO   3           HA       PRO   3   9.084  -3.398   0.536
   20    HB2  PRO   3           1HB      PRO   3   7.447  -3.492  -1.825
   21    HB3  PRO   3           2HB      PRO   3   8.983  -4.299  -1.508
   22    HG2  PRO   3           1HG      PRO   3   6.433  -5.471  -1.672
   23    HG3  PRO   3           2HG      PRO   3   7.957  -6.249  -1.230
   24    HD2  PRO   3           1HD      PRO   3   5.723  -5.568   0.469
   25    HD3  PRO   3           2HD      PRO   3   7.165  -6.488   0.887
   26    HA   PRO   4           HA       PRO   4   5.781  -0.087  -0.763
   27    HB2  PRO   4           1HB      PRO   4   3.389  -0.587   0.750
   28    HB3  PRO   4           2HB      PRO   4   3.588  -0.556  -1.007
   29    HG2  PRO   4           1HG      PRO   4   3.130  -2.801   0.625
   30    HG3  PRO   4           2HG      PRO   4   3.482  -2.777  -1.104
   31    HD2  PRO   4           1HD      PRO   4   5.206  -3.589   1.088
   32    HD3  PRO   4           2HD      PRO   4   5.460  -3.772  -0.660
   33    H    THR   5           H        THR   5   5.822   1.870   0.336
   34    HA   THR   5           HA       THR   5   6.100   1.718   3.313
   35    HB   THR   5           HB       THR   5   8.153   2.571   2.567
   36    HG1  THR   5           HG1      THR   5   6.846   5.031   2.536
   37   HG21  THR   5          3HG2      THR   5   8.255   4.288   0.706
   38   HG22  THR   5          1HG2      THR   5   6.538   3.993   0.436
   39   HG23  THR   5          2HG2      THR   5   7.704   2.689   0.207
   40    HA   PRO   6           HA       PRO   6   2.355   3.977   3.675
   41    HB2  PRO   6           1HB      PRO   6   3.298   5.693   5.784
   42    HB3  PRO   6           2HB      PRO   6   2.258   4.269   5.919
   43    HG2  PRO   6           1HG      PRO   6   5.040   4.548   6.573
   44    HG3  PRO   6           2HG      PRO   6   3.956   3.186   6.872
   45    HD2  PRO   6           1HD      PRO   6   6.075   3.258   5.014
   46    HD3  PRO   6           2HD      PRO   6   4.806   2.024   5.119
   47    HA   PRO   7           HA       PRO   7   3.211   7.864   1.570
   48    HB2  PRO   7           1HB      PRO   7   0.584   8.924   2.045
   49    HB3  PRO   7           2HB      PRO   7   1.203   8.160   0.572
   50    HG2  PRO   7           1HG      PRO   7  -0.732   7.117   2.223
   51    HG3  PRO   7           2HG      PRO   7   0.215   6.201   1.047
   52    HD2  PRO   7           1HD      PRO   7   0.528   6.352   4.014
   53    HD3  PRO   7           2HD      PRO   7   0.860   5.014   2.895
   54    H    GLY   8           H        GLY   8   3.082  10.299   1.949
   55    HA2  GLY   8           1HA      GLY   8   3.883  10.943   4.650
   56    HA3  GLY   8           2HA      GLY   8   3.589  12.115   3.361
   57    H    GLU   9           H        GLU   9   2.689  12.392   6.130
   58    HA   GLU   9           HA       GLU   9  -0.051  11.670   6.443
   59    HB2  GLU   9           1HB      GLU   9   1.455  14.059   7.556
   60    HB3  GLU   9           2HB      GLU   9  -0.132  13.524   8.110
   61    HG2  GLU   9           1HG      GLU   9   2.401  11.854   8.174
   62    HG3  GLU   9           2HG      GLU   9   1.665  12.647   9.567
   63    H    GLU  10           H        GLU  10   1.472  14.491   4.954
   64    HA   GLU  10           HA       GLU  10  -1.012  15.879   4.434
   65    HB2  GLU  10           1HB      GLU  10   1.733  16.156   3.173
   66    HB3  GLU  10           2HB      GLU  10   0.389  17.266   2.902
   67    HG2  GLU  10           1HG      GLU  10   0.291  17.703   5.351
   68    HG3  GLU  10           2HG      GLU  10   1.698  16.662   5.569
   69    H    ALA  11           H        ALA  11   0.750  13.348   2.802
   70    HA   ALA  11           HA       ALA  11  -0.083  13.625   0.155
   71    HB1  ALA  11           1HB      ALA  11   0.311  11.300  -0.107
   72    HB2  ALA  11           2HB      ALA  11  -0.143  10.955   1.562
   73    HB3  ALA  11           3HB      ALA  11   1.375  11.784   1.216
   74    HA   PRO  12           HA       PRO  12  -4.503  13.525   0.130
   75    HB2  PRO  12           1HB      PRO  12  -4.644  11.828  -2.209
   76    HB3  PRO  12           2HB      PRO  12  -4.882  13.580  -2.119
   77    HG2  PRO  12           1HG      PRO  12  -2.589  12.095  -3.076
   78    HG3  PRO  12           2HG      PRO  12  -2.937  13.822  -3.214
   79    HD2  PRO  12           1HD      PRO  12  -0.958  12.689  -1.606
   80    HD3  PRO  12           2HD      PRO  12  -1.599  14.336  -1.447
   81    H    VAL  13           H        VAL  13  -6.204  12.104   0.711
   82    HA   VAL  13           HA       VAL  13  -5.512   9.698   2.062
   83    HB   VAL  13           HB       VAL  13  -7.589  11.090   2.440
   84   HG11  VAL  13          1HG1      VAL  13  -8.090  11.150  -0.083
   85   HG12  VAL  13          2HG1      VAL  13  -9.460  10.879   0.995
   86   HG13  VAL  13          3HG1      VAL  13  -8.738   9.523   0.128
   87   HG21  VAL  13          3HG2      VAL  13  -9.045   9.098   2.862
   88   HG22  VAL  13          1HG2      VAL  13  -7.394   8.876   3.442
   89   HG23  VAL  13          2HG2      VAL  13  -7.910   8.117   1.936
   90    H    GLU  14           H        GLU  14  -6.206  10.312  -1.295
   91    HA   GLU  14           HA       GLU  14  -7.015   7.674  -2.058
   92    HB2  GLU  14           1HB      GLU  14  -5.532   9.808  -3.626
   93    HB3  GLU  14           2HB      GLU  14  -6.242   8.357  -4.334
   94    HG2  GLU  14           1HG      GLU  14  -8.467   9.056  -3.451
   95    HG3  GLU  14           2HG      GLU  14  -7.734  10.546  -2.857
   96    H    ASP  15           H        ASP  15  -3.899   9.200  -1.497
   97    HA   ASP  15           HA       ASP  15  -2.256   7.189  -2.648
   98    HB2  ASP  15           1HB      ASP  15  -1.754   9.066  -0.323
   99    HB3  ASP  15           2HB      ASP  15  -0.509   8.047  -1.047
  100    H    LEU  16           H        LEU  16  -3.682   7.484   0.596
  101    HA   LEU  16           HA       LEU  16  -2.378   5.208   1.738
  102    HB2  LEU  16           1HB      LEU  16  -4.974   6.627   2.338
  103    HB3  LEU  16           2HB      LEU  16  -4.525   5.160   3.206
  104    HG   LEU  16           HG       LEU  16  -2.252   6.373   3.602
  105   HD11  LEU  16          1HD1      LEU  16  -3.819   8.895   3.549
  106   HD12  LEU  16          2HD1      LEU  16  -3.312   8.270   1.983
  107   HD13  LEU  16          3HD1      LEU  16  -2.108   8.627   3.217
  108   HD21  LEU  16          3HD2      LEU  16  -4.652   7.554   5.009
  109   HD22  LEU  16          1HD2      LEU  16  -3.063   7.193   5.683
  110   HD23  LEU  16          2HD2      LEU  16  -4.160   5.879   5.258
  111    H    ILE  17           H        ILE  17  -5.408   5.563  -0.093
  112    HA   ILE  17           HA       ILE  17  -6.285   2.863   0.140
  113    HB   ILE  17           HB       ILE  17  -6.607   4.745  -2.222
  114   HG12  ILE  17          1HG1      ILE  17  -8.428   4.253   0.157
  115   HG13  ILE  17          2HG1      ILE  17  -7.385   5.663  -0.026
  116   HG21  ILE  17          1HG2      ILE  17  -7.379   2.750  -3.082
  117   HG22  ILE  17          2HG2      ILE  17  -8.835   3.257  -2.224
  118   HG23  ILE  17          3HG2      ILE  17  -7.742   2.083  -1.490
  119   HD11  ILE  17          3HD1      ILE  17  -8.681   5.673  -2.426
  120   HD12  ILE  17          1HD1      ILE  17  -9.215   6.589  -1.018
  121   HD13  ILE  17          2HD1      ILE  17  -9.937   5.020  -1.374
  122    H    ARG  18           H        ARG  18  -4.123   4.418  -2.228
  123    HA   ARG  18           HA       ARG  18  -3.656   2.094  -3.818
  124    HB2  ARG  18           1HB      ARG  18  -3.009   4.377  -4.525
  125    HB3  ARG  18           2HB      ARG  18  -1.774   4.408  -3.265
  126    HG2  ARG  18           1HG      ARG  18  -0.402   2.935  -4.376
  127    HG3  ARG  18           2HG      ARG  18  -1.753   2.080  -5.125
  128    HD2  ARG  18           1HD      ARG  18  -0.965   4.900  -5.886
  129    HD3  ARG  18           2HD      ARG  18  -0.352   3.470  -6.722
  130    HE   ARG  18           HE       ARG  18  -3.006   3.016  -6.888
  131   HH11  ARG  18          1HH1      ARG  18  -1.756   6.172  -6.677
  132   HH12  ARG  18          2HH1      ARG  18  -2.584   6.760  -8.079
  133   HH21  ARG  18          1HH2      ARG  18  -3.836   3.655  -8.975
  134   HH22  ARG  18          2HH2      ARG  18  -3.757   5.338  -9.380
  135    H    PHE  19           H        PHE  19  -2.085   3.305  -0.870
  136    HA   PHE  19           HA       PHE  19   0.098   1.508  -0.772
  137    HB2  PHE  19           1HB      PHE  19  -0.225   3.382   0.822
  138    HB3  PHE  19           2HB      PHE  19  -1.578   2.517   1.548
  139    HD1  PHE  19           HD2      PHE  19   2.089   2.414   0.951
  140    HD2  PHE  19           HD1      PHE  19  -1.231   0.707   3.074
  141    HE1  PHE  19           HE2      PHE  19   3.658   1.153   2.399
  142    HE2  PHE  19           HE1      PHE  19   0.341  -0.551   4.523
  143    HZ   PHE  19           HZ       PHE  19   2.786  -0.326   4.185
  144    H    TYR  20           H        TYR  20  -3.224   1.114   0.441
  145    HA   TYR  20           HA       TYR  20  -2.888  -1.529   1.464
  146    HB2  TYR  20           1HB      TYR  20  -4.856  -0.068   1.938
  147    HB3  TYR  20           2HB      TYR  20  -5.387  -0.289   0.270
  148    HD1  TYR  20           HD1      TYR  20  -4.763  -2.026   3.491
  149    HD2  TYR  20           HD2      TYR  20  -6.425  -2.316  -0.458
  150    HE1  TYR  20           HE1      TYR  20  -5.876  -4.155   4.116
  151    HE2  TYR  20           HE2      TYR  20  -7.535  -4.444   0.164
  152    HH   TYR  20           HH       TYR  20  -7.099  -5.865   3.404
  153    H    ASN  21           H        ASN  21  -3.742  -0.305  -1.755
  154    HA   ASN  21           HA       ASN  21  -4.369  -2.799  -2.968
  155    HB2  ASN  21           1HB      ASN  21  -4.732  -1.434  -4.716
  156    HB3  ASN  21           2HB      ASN  21  -4.044  -0.103  -3.794
  157   HD21  ASN  21          2HD2      ASN  21  -1.790   0.464  -4.200
  158   HD22  ASN  21          1HD2      ASN  21  -0.952  -0.137  -5.548
  159    H    ASP  22           H        ASP  22  -1.254  -1.095  -2.649
  160    HA   ASP  22           HA       ASP  22   0.316  -2.956  -4.112
  161    HB2  ASP  22           1HB      ASP  22   1.043  -1.183  -1.764
  162    HB3  ASP  22           2HB      ASP  22   2.221  -2.078  -2.723
  163    H    LEU  23           H        LEU  23  -0.626  -2.928  -0.665
  164    HA   LEU  23           HA       LEU  23   0.954  -5.164   0.132
  165    HB2  LEU  23           1HB      LEU  23  -0.261  -3.684   1.725
  166    HB3  LEU  23           2HB      LEU  23  -1.787  -4.372   1.167
  167    HG   LEU  23           HG       LEU  23  -0.882  -6.650   1.804
  168   HD11  LEU  23          1HD1      LEU  23   1.468  -5.040   2.262
  169   HD12  LEU  23          2HD1      LEU  23   1.303  -6.794   2.326
  170   HD13  LEU  23          3HD1      LEU  23   0.991  -5.827   3.767
  171   HD21  LEU  23          3HD2      LEU  23  -0.973  -5.988   4.380
  172   HD22  LEU  23          1HD2      LEU  23  -2.414  -5.883   3.368
  173   HD23  LEU  23          2HD2      LEU  23  -1.480  -4.429   3.726
  174    H    GLN  24           H        GLN  24  -2.298  -4.974  -1.287
  175    HA   GLN  24           HA       GLN  24  -2.912  -7.759  -1.145
  176    HB2  GLN  24           1HB      GLN  24  -4.497  -5.867  -1.777
  177    HB3  GLN  24           2HB      GLN  24  -3.741  -5.879  -3.371
  178    HG2  GLN  24           1HG      GLN  24  -4.331  -8.270  -3.622
  179    HG3  GLN  24           2HG      GLN  24  -5.122  -8.230  -2.047
  180   HE21  GLN  24          2HE2      GLN  24  -7.317  -7.723  -2.091
  181   HE22  GLN  24          1HE2      GLN  24  -8.108  -6.936  -3.370
  182    H    GLN  25           H        GLN  25  -1.119  -5.830  -3.517
  183    HA   GLN  25           HA       GLN  25  -0.781  -7.867  -5.484
  184    HB2  GLN  25           1HB      GLN  25  -0.197  -5.398  -5.715
  185    HB3  GLN  25           2HB      GLN  25   1.255  -5.734  -4.774
  186    HG2  GLN  25           1HG      GLN  25   1.912  -5.902  -7.065
  187    HG3  GLN  25           2HG      GLN  25   1.774  -7.560  -6.481
  188   HE21  GLN  25          2HE2      GLN  25   1.009  -8.681  -8.306
  189   HE22  GLN  25          1HE2      GLN  25  -0.386  -8.255  -9.173
  190    H    TYR  26           H        TYR  26   1.069  -7.058  -2.566
  191    HA   TYR  26           HA       TYR  26   3.155  -9.004  -2.991
  192    HB2  TYR  26           1HB      TYR  26   3.449  -7.119  -1.452
  193    HB3  TYR  26           2HB      TYR  26   2.136  -7.720  -0.439
  194    HD1  TYR  26           HD1      TYR  26   2.366  -9.988   0.659
  195    HD2  TYR  26           HD2      TYR  26   5.653  -7.983  -1.236
  196    HE1  TYR  26           HE1      TYR  26   3.959 -11.448   1.876
  197    HE2  TYR  26           HE2      TYR  26   7.248  -9.445  -0.023
  198    HH   TYR  26           HH       TYR  26   6.092 -11.878   2.312
  199    H    LEU  27           H        LEU  27   0.287  -9.032  -0.854
  200    HA   LEU  27           HA       LEU  27   0.656 -11.778  -0.059
  201    HB2  LEU  27           1HB      LEU  27  -1.700  -9.894   0.068
  202    HB3  LEU  27           2HB      LEU  27  -1.750 -11.528   0.734
  203    HG   LEU  27           HG       LEU  27   0.279  -9.404   1.496
  204   HD11  LEU  27          1HD1      LEU  27  -2.016 -10.486   3.151
  205   HD12  LEU  27          2HD1      LEU  27  -2.134  -8.996   2.215
  206   HD13  LEU  27          3HD1      LEU  27  -0.966  -9.122   3.529
  207   HD21  LEU  27          3HD2      LEU  27   1.373 -11.350   2.060
  208   HD22  LEU  27          1HD2      LEU  27  -0.119 -12.288   2.134
  209   HD23  LEU  27          2HD2      LEU  27   0.329 -11.237   3.477
  210    H    ASN  28           H        ASN  28  -1.265 -10.206  -2.591
  211    HA   ASN  28           HA       ASN  28  -2.717 -12.569  -3.346
  212    HB2  ASN  28           1HB      ASN  28  -3.314 -10.182  -3.925
  213    HB3  ASN  28           2HB      ASN  28  -2.031 -10.230  -5.134
  214   HD21  ASN  28          2HD2      ASN  28  -2.615 -11.026  -7.148
  215   HD22  ASN  28          1HD2      ASN  28  -4.013 -11.934  -7.472
  216    H    VAL  29           H        VAL  29   0.336 -11.156  -4.555
  217    HA   VAL  29           HA       VAL  29   0.634 -13.204  -6.601
  218    HB   VAL  29           HB       VAL  29   2.792 -12.169  -7.010
  219   HG11  VAL  29          1HG1      VAL  29   0.424 -10.396  -6.521
  220   HG12  VAL  29          2HG1      VAL  29   1.164 -10.870  -8.051
  221   HG13  VAL  29          3HG1      VAL  29   1.952  -9.674  -7.023
  222   HG21  VAL  29          3HG2      VAL  29   3.185 -10.080  -5.376
  223   HG22  VAL  29          1HG2      VAL  29   3.827 -11.680  -5.009
  224   HG23  VAL  29          2HG2      VAL  29   2.330 -11.137  -4.255
  225    H    VAL  30           H        VAL  30   1.834 -12.630  -3.328
  226    HA   VAL  30           HA       VAL  30   3.058 -14.033  -1.892
  227    HB   VAL  30           HB       VAL  30   1.848 -16.183  -3.643
  228   HG11  VAL  30          1HG1      VAL  30   3.669 -16.599  -1.755
  229   HG12  VAL  30          2HG1      VAL  30   2.271 -17.666  -1.899
  230   HG13  VAL  30          3HG1      VAL  30   2.284 -16.389  -0.682
  231   HG21  VAL  30          3HG2      VAL  30  -0.010 -16.116  -1.947
  232   HG22  VAL  30          1HG2      VAL  30   0.093 -14.671  -2.952
  233   HG23  VAL  30          2HG2      VAL  30   0.709 -14.642  -1.299
  Start of MODEL   10
    1    H2   PRO   1           1H       PRO   1  10.290  -5.160   3.550
    2    H3   PRO   1           2H       PRO   1  11.778  -5.963   3.367
    3    HA   PRO   1           HA       PRO   1  10.825  -7.931   3.063
    4    HB2  PRO   1           1HB      PRO   1   8.516  -7.896   4.766
    5    HB3  PRO   1           2HB      PRO   1  10.028  -8.796   4.996
    6    HG2  PRO   1           1HG      PRO   1   9.148  -6.309   6.233
    7    HG3  PRO   1           2HG      PRO   1  10.435  -7.418   6.721
    8    HD2  PRO   1           1HD      PRO   1  10.904  -4.913   5.673
    9    HD3  PRO   1           2HD      PRO   1  12.057  -6.258   5.557
   10    H    PHE   2           H        PHE   2   9.087  -4.981   2.936
   11    HA   PHE   2           HA       PHE   2   7.348  -6.149   0.834
   12    HB2  PHE   2           1HB      PHE   2   5.370  -5.185   1.671
   13    HB3  PHE   2           2HB      PHE   2   6.170  -5.792   3.117
   14    HD1  PHE   2           HD2      PHE   2   8.270  -3.754   3.574
   15    HD2  PHE   2           HD1      PHE   2   4.179  -3.301   2.357
   16    HE1  PHE   2           HE2      PHE   2   8.239  -1.473   4.537
   17    HE2  PHE   2           HE1      PHE   2   4.145  -1.019   3.324
   18    HZ   PHE   2           HZ       PHE   2   6.175  -0.104   4.415
   19    HA   PRO   3           HA       PRO   3   9.200  -2.789  -1.416
   20    HB2  PRO   3           1HB      PRO   3   7.067  -2.772  -3.340
   21    HB3  PRO   3           2HB      PRO   3   8.703  -3.416  -3.506
   22    HG2  PRO   3           1HG      PRO   3   6.273  -4.852  -3.225
   23    HG3  PRO   3           2HG      PRO   3   7.911  -5.479  -3.407
   24    HD2  PRO   3           1HD      PRO   3   6.283  -5.520  -1.064
   25    HD3  PRO   3           2HD      PRO   3   7.942  -6.110  -1.241
   26    HA   PRO   4           HA       PRO   4   5.312   0.134  -1.467
   27    HB2  PRO   4           1HB      PRO   4   3.536  -0.801   0.594
   28    HB3  PRO   4           2HB      PRO   4   3.201  -0.579  -1.127
   29    HG2  PRO   4           1HG      PRO   4   3.514  -3.007   0.292
   30    HG3  PRO   4           2HG      PRO   4   3.234  -2.782  -1.436
   31    HD2  PRO   4           1HD      PRO   4   5.648  -3.638  -0.125
   32    HD3  PRO   4           2HD      PRO   4   5.348  -3.458  -1.862
   33    H    THR   5           H        THR   5   5.470   1.974  -0.212
   34    HA   THR   5           HA       THR   5   6.555   1.629   2.556
   35    HB   THR   5           HB       THR   5   7.282   4.182   1.778
   36    HG1  THR   5           HG1      THR   5   8.352   3.620  -0.290
   37   HG21  THR   5          3HG2      THR   5   8.913   2.984   2.893
   38   HG22  THR   5          1HG2      THR   5   9.537   2.883   1.250
   39   HG23  THR   5          2HG2      THR   5   8.642   1.529   1.937
   40    HA   PRO   6           HA       PRO   6   3.204   3.852   4.162
   41    HB2  PRO   6           1HB      PRO   6   4.637   5.987   5.462
   42    HB3  PRO   6           2HB      PRO   6   3.930   4.541   6.195
   43    HG2  PRO   6           1HG      PRO   6   6.683   5.120   5.637
   44    HG3  PRO   6           2HG      PRO   6   5.987   3.754   6.515
   45    HD2  PRO   6           1HD      PRO   6   7.191   3.668   3.968
   46    HD3  PRO   6           2HD      PRO   6   6.255   2.374   4.733
   47    HA   PRO   7           HA       PRO   7   2.603   7.321   1.373
   48    HB2  PRO   7           1HB      PRO   7   0.250   8.264   2.720
   49    HB3  PRO   7           2HB      PRO   7   0.346   7.278   1.253
   50    HG2  PRO   7           1HG      PRO   7  -0.622   6.436   3.689
   51    HG3  PRO   7           2HG      PRO   7  -0.092   5.383   2.372
   52    HD2  PRO   7           1HD      PRO   7   1.334   6.111   4.894
   53    HD3  PRO   7           2HD      PRO   7   1.389   4.616   3.938
   54    H    GLY   8           H        GLY   8   1.337   8.437   4.510
   55    HA2  GLY   8           1HA      GLY   8   3.121  10.072   5.629
   56    HA3  GLY   8           2HA      GLY   8   2.777  11.003   4.167
   57    H    GLU   9           H        GLU   9   2.119  11.620   7.042
   58    HA   GLU   9           HA       GLU   9  -0.636  11.235   7.575
   59    HB2  GLU   9           1HB      GLU   9   1.016  12.159   9.202
   60    HB3  GLU   9           2HB      GLU   9   1.025  13.667   8.288
   61    HG2  GLU   9           1HG      GLU   9  -1.428  13.872   8.654
   62    HG3  GLU   9           2HG      GLU   9  -1.381  12.412   9.642
   63    H    GLU  10           H        GLU  10   0.977  13.870   5.808
   64    HA   GLU  10           HA       GLU  10  -1.498  15.263   5.236
   65    HB2  GLU  10           1HB      GLU  10   0.755  16.361   5.209
   66    HB3  GLU  10           2HB      GLU  10   1.140  15.447   3.750
   67    HG2  GLU  10           1HG      GLU  10  -0.845  16.452   2.631
   68    HG3  GLU  10           2HG      GLU  10  -1.136  17.425   4.072
   69    H    ALA  11           H        ALA  11   0.311  12.695   3.687
   70    HA   ALA  11           HA       ALA  11  -0.586  12.748   1.071
   71    HB1  ALA  11           1HB      ALA  11  -0.868  10.067   2.161
   72    HB2  ALA  11           2HB      ALA  11   0.601  10.853   2.737
   73    HB3  ALA  11           3HB      ALA  11   0.313  10.685   1.005
   74    HA   PRO  12           HA       PRO  12  -5.043  12.687   1.645
   75    HB2  PRO  12           1HB      PRO  12  -5.432  12.015  -1.143
   76    HB3  PRO  12           2HB      PRO  12  -5.686  13.579  -0.353
   77    HG2  PRO  12           1HG      PRO  12  -3.597  12.839  -2.133
   78    HG3  PRO  12           2HG      PRO  12  -3.824  14.382  -1.305
   79    HD2  PRO  12           1HD      PRO  12  -1.843  12.358  -0.780
   80    HD3  PRO  12           2HD      PRO  12  -2.045  13.936   0.005
   81    H    VAL  13           H        VAL  13  -6.756  11.083   1.547
   82    HA   VAL  13           HA       VAL  13  -5.953   8.425   2.064
   83    HB   VAL  13           HB       VAL  13  -8.192   9.498   2.624
   84   HG11  VAL  13          1HG1      VAL  13  -9.870   9.667   0.999
   85   HG12  VAL  13          2HG1      VAL  13  -9.070   8.531  -0.087
   86   HG13  VAL  13          3HG1      VAL  13  -8.439  10.167   0.100
   87   HG21  VAL  13          3HG2      VAL  13  -8.932   6.982   1.289
   88   HG22  VAL  13          1HG2      VAL  13  -8.979   7.398   3.001
   89   HG23  VAL  13          2HG2      VAL  13  -7.468   6.861   2.266
   90    H    GLU  14           H        GLU  14  -6.330  10.044  -0.968
   91    HA   GLU  14           HA       GLU  14  -6.926   7.777  -2.618
   92    HB2  GLU  14           1HB      GLU  14  -5.392  10.321  -3.240
   93    HB3  GLU  14           2HB      GLU  14  -5.957   9.170  -4.450
   94    HG2  GLU  14           1HG      GLU  14  -8.289   9.528  -3.667
   95    HG3  GLU  14           2HG      GLU  14  -7.698  10.736  -2.523
   96    H    ASP  15           H        ASP  15  -3.903   9.253  -1.497
   97    HA   ASP  15           HA       ASP  15  -2.191   7.471  -2.940
   98    HB2  ASP  15           1HB      ASP  15  -1.706   9.088  -0.424
   99    HB3  ASP  15           2HB      ASP  15  -0.442   8.230  -1.305
  100    H    LEU  16           H        LEU  16  -3.576   7.402   0.323
  101    HA   LEU  16           HA       LEU  16  -2.217   5.066   1.241
  102    HB2  LEU  16           1HB      LEU  16  -3.555   6.599   2.695
  103    HB3  LEU  16           2HB      LEU  16  -5.025   5.978   1.944
  104    HG   LEU  16           HG       LEU  16  -3.398   3.760   2.783
  105   HD11  LEU  16          1HD1      LEU  16  -4.152   5.607   5.056
  106   HD12  LEU  16          2HD1      LEU  16  -2.526   5.569   4.373
  107   HD13  LEU  16          3HD1      LEU  16  -3.198   4.125   5.132
  108   HD21  LEU  16          3HD2      LEU  16  -5.460   3.352   4.208
  109   HD22  LEU  16          1HD2      LEU  16  -5.780   3.575   2.488
  110   HD23  LEU  16          2HD2      LEU  16  -6.080   4.894   3.620
  111    H    ILE  17           H        ILE  17  -5.195   5.504  -0.627
  112    HA   ILE  17           HA       ILE  17  -6.120   2.829  -0.607
  113    HB   ILE  17           HB       ILE  17  -6.319   5.019  -2.673
  114   HG12  ILE  17          1HG1      ILE  17  -8.444   3.735  -0.934
  115   HG13  ILE  17          2HG1      ILE  17  -7.527   5.158  -0.435
  116   HG21  ILE  17          1HG2      ILE  17  -7.206   2.157  -2.768
  117   HG22  ILE  17          2HG2      ILE  17  -6.556   3.169  -4.059
  118   HG23  ILE  17          3HG2      ILE  17  -8.218   3.394  -3.513
  119   HD11  ILE  17          3HD1      ILE  17  -9.857   5.121  -2.014
  120   HD12  ILE  17          1HD1      ILE  17  -8.541   5.503  -3.126
  121   HD13  ILE  17          2HD1      ILE  17  -8.811   6.506  -1.701
  122    H    ARG  18           H        ARG  18  -4.037   4.415  -3.066
  123    HA   ARG  18           HA       ARG  18  -3.570   2.096  -4.620
  124    HB2  ARG  18           1HB      ARG  18  -2.869   4.453  -5.200
  125    HB3  ARG  18           2HB      ARG  18  -1.536   4.273  -4.060
  126    HG2  ARG  18           1HG      ARG  18  -1.639   1.979  -5.812
  127    HG3  ARG  18           2HG      ARG  18  -1.589   3.461  -6.768
  128    HD2  ARG  18           1HD      ARG  18   0.673   2.454  -6.053
  129    HD3  ARG  18           2HD      ARG  18   0.433   4.177  -5.762
  130    HE   ARG  18           HE       ARG  18  -0.421   2.684  -3.464
  131   HH11  ARG  18          1HH1      ARG  18   2.371   3.592  -5.273
  132   HH12  ARG  18          2HH1      ARG  18   3.420   3.632  -3.895
  133   HH21  ARG  18          1HH2      ARG  18   0.928   2.781  -1.641
  134   HH22  ARG  18          2HH2      ARG  18   2.602   3.178  -1.840
  135    H    PHE  19           H        PHE  19  -1.956   3.273  -1.694
  136    HA   PHE  19           HA       PHE  19   0.115   1.303  -1.591
  137    HB2  PHE  19           1HB      PHE  19   0.243   3.237  -0.144
  138    HB3  PHE  19           2HB      PHE  19  -1.314   2.850   0.592
  139    HD1  PHE  19           HD1      PHE  19  -1.549   0.721   1.932
  140    HD2  PHE  19           HD2      PHE  19   2.262   2.238   0.654
  141    HE1  PHE  19           HE1      PHE  19  -0.420  -0.699   3.621
  142    HE2  PHE  19           HE2      PHE  19   3.391   0.815   2.345
  143    HZ   PHE  19           HZ       PHE  19   2.048  -0.653   3.828
  144    H    TYR  20           H        TYR  20  -3.187   1.364  -0.281
  145    HA   TYR  20           HA       TYR  20  -3.096  -1.095   1.123
  146    HB2  TYR  20           1HB      TYR  20  -4.959   0.593   1.212
  147    HB3  TYR  20           2HB      TYR  20  -5.476   0.033  -0.378
  148    HD1  TYR  20           HD1      TYR  20  -5.092  -0.885   3.178
  149    HD2  TYR  20           HD2      TYR  20  -6.531  -2.131  -0.673
  150    HE1  TYR  20           HE1      TYR  20  -6.324  -2.754   4.242
  151    HE2  TYR  20           HE2      TYR  20  -7.763  -3.999   0.391
  152    HH   TYR  20           HH       TYR  20  -7.919  -5.230   2.322
  153    H    ASN  21           H        ASN  21  -3.912  -0.429  -2.293
  154    HA   ASN  21           HA       ASN  21  -4.481  -3.174  -2.905
  155    HB2  ASN  21           1HB      ASN  21  -4.580  -2.481  -5.182
  156    HB3  ASN  21           2HB      ASN  21  -5.217  -1.145  -4.238
  157   HD21  ASN  21          2HD2      ASN  21  -4.609   0.313  -6.054
  158   HD22  ASN  21          1HD2      ASN  21  -2.991   0.788  -6.254
  159    H    ASP  22           H        ASP  22  -1.523  -1.254  -2.915
  160    HA   ASP  22           HA       ASP  22   0.089  -3.080  -4.414
  161    HB2  ASP  22           1HB      ASP  22   0.830  -1.121  -2.222
  162    HB3  ASP  22           2HB      ASP  22   2.003  -1.971  -3.230
  163    H    LEU  23           H        LEU  23  -0.534  -2.807  -0.914
  164    HA   LEU  23           HA       LEU  23   1.185  -4.978  -0.153
  165    HB2  LEU  23           1HB      LEU  23   0.246  -3.244   1.412
  166    HB3  LEU  23           2HB      LEU  23  -1.328  -4.026   1.255
  167    HG   LEU  23           HG       LEU  23   0.012  -6.196   1.901
  168   HD11  LEU  23          1HD1      LEU  23   2.123  -4.506   1.866
  169   HD12  LEU  23          2HD1      LEU  23   2.060  -5.935   2.897
  170   HD13  LEU  23          3HD1      LEU  23   1.650  -4.352   3.559
  171   HD21  LEU  23          3HD2      LEU  23  -1.106  -3.995   3.565
  172   HD22  LEU  23          1HD2      LEU  23  -0.185  -5.234   4.415
  173   HD23  LEU  23          2HD2      LEU  23  -1.598  -5.686   3.460
  174    H    GLN  24           H        GLN  24  -2.263  -4.813  -1.015
  175    HA   GLN  24           HA       GLN  24  -2.931  -7.512  -0.390
  176    HB2  GLN  24           1HB      GLN  24  -4.542  -5.653  -1.010
  177    HB3  GLN  24           2HB      GLN  24  -4.053  -5.887  -2.688
  178    HG2  GLN  24           1HG      GLN  24  -4.775  -8.238  -2.583
  179    HG3  GLN  24           2HG      GLN  24  -5.253  -8.021  -0.898
  180   HE21  GLN  24          2HE2      GLN  24  -6.446  -7.918  -4.063
  181   HE22  GLN  24          1HE2      GLN  24  -7.838  -6.990  -3.776
  182    H    GLN  25           H        GLN  25  -1.785  -6.063  -3.449
  183    HA   GLN  25           HA       GLN  25  -1.696  -8.557  -4.877
  184    HB2  GLN  25           1HB      GLN  25  -0.161  -5.972  -5.304
  185    HB3  GLN  25           2HB      GLN  25  -0.187  -7.317  -6.445
  186    HG2  GLN  25           1HG      GLN  25  -2.631  -7.106  -6.661
  187    HG3  GLN  25           2HG      GLN  25  -2.628  -5.786  -5.492
  188   HE21  GLN  25          2HE2      GLN  25  -3.506  -5.546  -8.287
  189   HE22  GLN  25          1HE2      GLN  25  -2.464  -4.434  -9.035
  190    H    TYR  26           H        TYR  26   0.557  -6.863  -2.775
  191    HA   TYR  26           HA       TYR  26   2.893  -8.403  -3.359
  192    HB2  TYR  26           1HB      TYR  26   3.259  -6.414  -2.147
  193    HB3  TYR  26           2HB      TYR  26   1.979  -6.782  -0.995
  194    HD1  TYR  26           HD1      TYR  26   4.398  -9.308  -2.102
  195    HD2  TYR  26           HD2      TYR  26   3.390  -6.513   0.982
  196    HE1  TYR  26           HE1      TYR  26   6.057 -10.376  -0.604
  197    HE2  TYR  26           HE2      TYR  26   5.047  -7.574   2.490
  198    HH   TYR  26           HH       TYR  26   7.198 -10.139   1.339
  199    H    LEU  27           H        LEU  27   0.611  -8.724  -0.608
  200    HA   LEU  27           HA       LEU  27   1.761 -11.282   0.161
  201    HB2  LEU  27           1HB      LEU  27  -0.765  -9.862   1.037
  202    HB3  LEU  27           2HB      LEU  27  -0.142 -11.340   1.776
  203    HG   LEU  27           HG       LEU  27   1.442  -8.765   1.539
  204   HD11  LEU  27          1HD1      LEU  27   0.352  -9.858   4.118
  205   HD12  LEU  27          2HD1      LEU  27  -0.688  -8.871   3.092
  206   HD13  LEU  27          3HD1      LEU  27   0.819  -8.204   3.720
  207   HD21  LEU  27          3HD2      LEU  27   2.420 -10.357   3.609
  208   HD22  LEU  27          1HD2      LEU  27   3.142 -10.181   2.010
  209   HD23  LEU  27          2HD2      LEU  27   2.034 -11.514   2.335
  210    H    ASN  28           H        ASN  28  -1.162 -10.255  -1.588
  211    HA   ASN  28           HA       ASN  28  -2.405 -12.813  -1.716
  212    HB2  ASN  28           1HB      ASN  28  -3.443 -10.596  -2.338
  213    HB3  ASN  28           2HB      ASN  28  -2.545 -10.677  -3.853
  214   HD21  ASN  28          2HD2      ASN  28  -3.402 -11.983  -5.513
  215   HD22  ASN  28          1HD2      ASN  28  -4.764 -12.978  -5.329
  216    H    VAL  29           H        VAL  29  -0.062 -11.289  -3.953
  217    HA   VAL  29           HA       VAL  29  -0.094 -13.515  -5.795
  218    HB   VAL  29           HB       VAL  29   1.823 -12.436  -6.814
  219   HG11  VAL  29          1HG1      VAL  29  -0.027 -11.239  -7.512
  220   HG12  VAL  29          2HG1      VAL  29   0.871  -9.954  -6.702
  221   HG13  VAL  29          3HG1      VAL  29  -0.462 -10.759  -5.872
  222   HG21  VAL  29          3HG2      VAL  29   2.060 -11.262  -4.100
  223   HG22  VAL  29          1HG2      VAL  29   2.483 -10.206  -5.447
  224   HG23  VAL  29          2HG2      VAL  29   3.325 -11.741  -5.231
  225    H    VAL  30           H        VAL  30   1.696 -12.689  -2.900
  226    HA   VAL  30           HA       VAL  30   3.242 -13.922  -1.638
  227    HB   VAL  30           HB       VAL  30   1.807 -16.134  -3.128
  228   HG11  VAL  30          1HG1      VAL  30   2.738 -17.393  -0.967
  229   HG12  VAL  30          2HG1      VAL  30   4.014 -16.182  -1.105
  230   HG13  VAL  30          3HG1      VAL  30   3.699 -17.288  -2.443
  231   HG21  VAL  30          3HG2      VAL  30   1.513 -14.842  -0.410
  232   HG22  VAL  30          1HG2      VAL  30   0.796 -16.407  -0.791
  233   HG23  VAL  30          2HG2      VAL  30   0.304 -14.971  -1.687