*HEADER    TRANSPORT PROTEIN                       21-JUN-16   5KK9              
*TITLE     CONNEXIN 32 G12R N-TERMINAL MUTANT,                                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GAP JUNCTION BETA-1 PROTEIN;                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: CONNEXIN-32,CX32,GAP JUNCTION 28 KDA LIVER PROTEIN;         
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   5 ORGANISM_TAXID: 9606                                                 
*KEYWDS    CONNEXIN 32 G12R N-TERMINAL MUTANT, TRANSPORT PROTEIN                 
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    T.L.DOWD,T.A.BARIGELLO                                                
*REVDAT   1   28-SEP-16 5KK9    0                                                
# Restraints file 1: CX32G12RNOES.tbl
assign (RESID 1 AND NAME H1) (RESID 1 AND NAME HB#) 2.75 0.95 0.95  !     NOESCX32G12R.41
assign (RESID 1 AND NAME H1) (RESID 1 AND NAME HG#) 3.40 1.60 1.60  !     NOESCX32G12R.40
assign (RESID 1 AND NAME H1) (RESID 1 AND NAME HA) 2.75 0.95 0.95  !     NOESCX32G12R.38
assign (RESID 1 AND NAME HB#) (RESID 1 AND NAME HA) 2.40 0.60 0.60  !     NOESCX32G12R.495
assign (RESID 1 AND NAME HG#) (RESID 1 AND NAME HA) 3.40 1.60 1.60  !     NOESCX32G12R.493
assign (RESID 2 AND NAME HN) (RESID 2 AND NAME HB#) 3.40 1.60 1.60  !     NOESCX32G12R.28
assign (RESID 2 AND NAME HN) (RESID 2 AND NAME HB#) 3.40 1.60 1.60  !     NOESCX32G12R.24
assign (RESID 2 AND NAME HD2#) (RESID 2 AND NAME HB#) 2.75 0.95 0.95  !     NOESCX32G12R.188
assign (RESID 2 AND NAME HD2#) (RESID 2 AND NAME HB#) 2.75 0.95 0.95  !     NOESCX32G12R.187
assign (RESID 2 AND NAME HD2#) (RESID 2 AND NAME HB#) 3.40 1.60 1.60  !     NOESCX32G12R.281
assign (RESID 2 AND NAME HD2#) (RESID 2 AND NAME HB#) 3.40 1.60 1.60  !     NOESCX32G12R.282
assign (RESID 2 AND NAME HB#) (RESID 2 AND NAME HA) 2.40 0.60 0.60  !     NOESCX32G12R.458
assign (RESID 3 AND NAME HE3) (RESID 3 AND NAME HA) 2.75 0.95 1.45!     NOESCX32G12R.194
assign (RESID 3 AND NAME HB#) (RESID 3 AND NAME HA) 2.75 0.95 0.95  !     NOESCX32G12R.461
assign (RESID 3 AND NAME HN) (RESID 3 AND NAME HB#) 2.75 0.95 0.95  !     NOESCX32G12R.61
assign (RESID 3 AND NAME HN) (RESID 3 AND NAME HA) 2.40 0.60 0.60  !     NOESCX32G12R.59
assign (RESID 3 AND NAME HB#) (RESID 3 AND NAME HA) 2.75 0.95 0.95  !     NOESCX32G12R.537
assign (RESID 3 AND NAME HN) (RESID 3 AND NAME HB#) 2.75 0.95 0.95  !     NOESCX32G12R.62
assign (RESID 3 AND NAME HD1) (RESID 3 AND NAME HA) 2.75 0.95 1.45  !     NOESCX32G12R.222
assign (RESID 3 AND NAME HD1) (RESID 3 AND NAME HB#) 2.75 0.95 0.95  !     NOESCX32G12R.223
assign (RESID 3 AND NAME HD1) (RESID 3 AND NAME HB#) 2.40 0.60 0.60  !     NOESCX32G12R.224
assign (RESID 3 AND NAME HE3) (RESID 3 AND NAME HB#) 2.75 0.95 0.95  !     NOESCX32G12R.196
assign (RESID 3 AND NAME HD1) (RESID 3 AND NAME HN) 2.75 0.95 0.95  !     NOESCX32G12R.430
assign (RESID 3 AND NAME HE3) (RESID 3 AND NAME HN) 3.40 1.60 1.60  !     NOESCX32G12R.429
assign (RESID 3 AND NAME HE3) (RESID 3 AND NAME HB#) 2.75 0.95 0.95  !     NOESCX32G12R.195
assign (RESID 4 AND NAME HN) (RESID 4 AND NAME HA) 2.40 0.60 0.60  !     NOESCX32G12R.124
assign (RESID 4 AND NAME HN) (RESID 4 AND NAME HG1) 2.75 0.95 0.95  !     NOESCX32G12R.126
assign (RESID 4 AND NAME HG1) (RESID 4 AND NAME HA) 2.40 0.60 0.60  !     NOESCX32G12R.513
assign (RESID 5 AND NAME HN) (RESID 5 AND NAME HA#) 2.40 0.60 0.60  !     NOESCX32G12R.173
assign (RESID 6 AND NAME HN) (RESID 6 AND NAME HD2#) 3.40 1.60 1.60  !     NOESCX32G12R.157
assign (RESID 6 AND NAME HN) (RESID 6 AND NAME HA) 2.40 0.60 0.60  !     NOESCX32G12R.153
assign (RESID 6 AND NAME HN) (RESID 6 AND NAME HB#) 2.40 0.60 0.60  !     NOESCX32G12R.155
assign (RESID 6 AND NAME HN) (RESID 6 AND NAME HD1#) 3.40 1.60 1.60  !     NOESCX32G12R.158
assign (RESID 6 AND NAME HD1#) (RESID 6 AND NAME HA) 2.75 0.95 0.95  !     NOESCX32G12R.506
assign (RESID 6 AND NAME HB#) (RESID 6 AND NAME HA) 2.40 0.60 0.60  !     NOESCX32G12R.505
assign (RESID 7 AND NAME HE1) (RESID 7 AND NAME HB#) 3.40 1.60 1.60  !     NOESCX32G12R.297
assign (RESID 7 AND NAME HD1) (RESID 7 AND NAME HA) 2.75 0.95 0.95  !     NOESCX32G12R.260
assign (RESID 7 AND NAME HE1) (RESID 7 AND NAME HB#) 3.40 1.60 1.60  !     NOESCX32G12R.298
assign (RESID 7 AND NAME HE1) (RESID 7 AND NAME HA) 3.40 1.60 2.10  !     NOESCX32G12R.301
assign (RESID 7 AND NAME HB#) (RESID 7 AND NAME HA) 2.75 0.95 0.95  !     NOESCX32G12R.475
assign (RESID 7 AND NAME HB#) (RESID 7 AND NAME HA) 2.75 0.95 0.95  !     NOESCX32G12R.477
assign (RESID 7 AND NAME HD1) (RESID 7 AND NAME HB#) 2.40 0.60 0.60  !     NOESCX32G12R.257
assign (RESID 7 AND NAME HD1) (RESID 7 AND NAME HB#) 2.40 0.60 0.60  !     NOESCX32G12R.256
assign (RESID 7 AND NAME HN) (RESID 7 AND NAME HB#) 2.40 0.60 0.60  !     NOESCX32G12R.64
assign (RESID 7 AND NAME HN) (RESID 7 AND NAME HB#) 2.40 0.60 0.60  !     NOESCX32G12R.63
assign (RESID 7 AND NAME HN) (RESID 7 AND NAME HA) 2.75 0.95 0.95  !     NOESCX32G12R.72
assign (RESID 7 AND NAME HD1) (RESID 7 AND NAME HN) 2.75 0.95 0.95  !     NOESCX32G12R.431
assign (RESID 8 AND NAME HN) (RESID 8 AND NAME HA) 2.40 0.60 0.60  !     NOESCX32G12R.131
assign (RESID 8 AND NAME HG1) (RESID 8 AND NAME HB) 2.40 0.60 0.60  !     NOESCX32G12R.512
assign (RESID 8 AND NAME HN) (RESID 8 AND NAME HG1) 2.75 0.95 0.95  !     NOESCX32G12R.139
assign (RESID 9 AND NAME HD1#) (RESID 9 AND NAME HA) 2.40 0.60 0.60  !     NOESCX32G12R.504
assign (RESID 9 AND NAME HB#) (RESID 9 AND NAME HA) 2.40 0.60 0.60  !     NOESCX32G12R.502
assign (RESID 9 AND NAME HD2#) (RESID 9 AND NAME HA) 2.75 0.95 0.95  !     NOESCX32G12R.503
assign (RESID 9 AND NAME HN) (RESID 9 AND NAME HD1#) 3.40 1.60 1.60  !     NOESCX32G12R.118
assign (RESID 9 AND NAME HN) (RESID 9 AND NAME HB#) 2.40 0.60 0.60  !     NOESCX32G12R.116
assign (RESID 9 AND NAME HN) (RESID 9 AND NAME HD2#) 3.40 1.60 1.60  !     NOESCX32G12R.113
assign (RESID 9 AND NAME HD1#) (RESID 9 AND NAME HB#) 2.40 0.60 0.60  !     NOESCX32G12R.552
assign (RESID 10 AND NAME HN) (RESID 10 AND NAME HD2#) 2.75 0.95 0.95  !     NOESCX32G12R.89
assign (RESID 10 AND NAME HN) (RESID 10 AND NAME HD1#) 3.40 1.60 1.60  !     NOESCX32G12R.90
assign (RESID 10 AND NAME HD2#) (RESID 10 AND NAME HG) 2.40 0.60 0.60  !     NOESCX32G12R.550
assign (RESID 10 AND NAME HN) (RESID 10 AND NAME HG) 2.40 0.60 0.60  !     NOESCX32G12R.85
assign (RESID 10 AND NAME HN) (RESID 10 AND NAME HB#) 2.75 0.95 0.95  !     NOESCX32G12R.86
assign (RESID 10 AND NAME HD1#) (RESID 10 AND NAME HA) 2.40 0.60 1.60  !     NOESCX32G12R.501
assign (RESID 10 AND NAME HB#) (RESID 10 AND NAME HA) 2.40 0.60 0.60  !     NOESCX32G12R.500
assign (RESID 11 AND NAME HB#) (RESID 11 AND NAME HA) 2.75 0.95 0.95  !     NOESCX32G12R.534
assign (RESID 11 AND NAME HN) (RESID 11 AND NAME HA) 2.40 0.60 0.60  !     NOESCX32G12R.104
assign (RESID 11 AND NAME HN) (RESID 11 AND NAME HB#) 2.40 0.60 0.60  !     NOESCX32G12R.106
assign (RESID 11 AND NAME HN) (RESID 11 AND NAME HB#) 2.75 0.95 0.95  !     NOESCX32G12R.107
assign (RESID 11 AND NAME HB#) (RESID 11 AND NAME HA) 2.75 0.95 0.95  !     NOESCX32G12R.533
assign (RESID 12 AND NAME HD#) (RESID 12 AND NAME HA) 3.40 1.60 1.60  !     NOESCX32G12R.487
assign (RESID 12 AND NAME HN) (RESID 12 AND NAME HB#) 3.40 1.60 1.60  !     NOESCX32G12R.84
assign (RESID 12 AND NAME HG#) (RESID 12 AND NAME HA) 2.75 0.95 0.95  !     NOESCX32G12R.489
assign (RESID 12 AND NAME HB#) (RESID 12 AND NAME HA) 2.40 0.60 0.60  !     NOESCX32G12R.488
assign (RESID 12 AND NAME HE) (RESID 12 AND NAME HD#) 3.40 1.60 1.60  !     NOESCX32G12R.229
assign (RESID 13 AND NAME HN) (RESID 13 AND NAME HA) 2.40 0.60 0.60  !     NOESCX32G12R.141
assign (RESID 13 AND NAME HG2#) (RESID 13 AND NAME HB) 2.40 0.60 0.60  !     NOESCX32G12R.553
assign (RESID 13 AND NAME HN) (RESID 13 AND NAME HG1#) 2.75 0.95 0.95  !     NOESCX32G12R.147
assign (RESID 13 AND NAME HG1#) (RESID 13 AND NAME HB) 2.40 0.60 0.60  !     NOESCX32G12R.554
assign (RESID 13 AND NAME HN) (RESID 13 AND NAME HG2#) 2.40 0.60 0.60  !     NOESCX32G12R.146
assign (RESID 13 AND NAME HN) (RESID 13 AND NAME HB) 2.40 0.60 0.60  !     NOESCX32G12R.142
assign (RESID 13 AND NAME HB) (RESID 13 AND NAME HA) 2.40 0.60 0.60  !     NOESCX32G12R.521
assign (RESID 13 AND NAME HG1#) (RESID 13 AND NAME HA) 2.40 0.60 0.60  !     NOESCX32G12R.523
assign (RESID 13 AND NAME HG2#) (RESID 13 AND NAME HA) 2.40 0.60 0.60  !     NOESCX32G12R.522
assign (RESID 14 AND NAME HN) (RESID 14 AND NAME HB#) 2.75 0.95 0.95  !     NOESCX32G12R.16
assign (RESID 14 AND NAME HN) (RESID 14 AND NAME HA) 2.75 0.95 0.95  !     NOESCX32G12R.14
assign (RESID 14 AND NAME HD2#) (RESID 14 AND NAME HB#) 3.40 1.60 1.60  !     NOESCX32G12R.272
assign (RESID 14 AND NAME HN) (RESID 14 AND NAME HB#) 2.75 0.95 0.95  !     NOESCX32G12R.17
assign (RESID 14 AND NAME HB#) (RESID 14 AND NAME HA) 2.40 0.60 0.60  !     NOESCX32G12R.457
assign (RESID 14 AND NAME HB#) (RESID 14 AND NAME HA) 2.40 0.60 0.60  !     NOESCX32G12R.463
assign (RESID 14 AND NAME HD2#) (RESID 14 AND NAME HB#) 3.40 1.60 1.60  !     NOESCX32G12R.271
assign (RESID 14 AND NAME HD2#) (RESID 14 AND NAME HB#) 2.75 0.95 0.95  !     NOESCX32G12R.183
assign (RESID 14 AND NAME HD2#) (RESID 14 AND NAME HA) 3.40 1.60 1.60  !     NOESCX32G12R.181
assign (RESID 14 AND NAME HD2#) (RESID 14 AND NAME HB#) 2.75 0.95 0.95  !     NOESCX32G12R.182
assign (RESID 15 AND NAME HN) (RESID 15 AND NAME HB#) 3.40 1.60 1.60  !     NOESCX32G12R.45
assign (RESID 15 AND NAME HN) (RESID 15 AND NAME HG#) 3.40 1.60 1.60  !     NOESCX32G12R.49
assign (RESID 15 AND NAME HB#) (RESID 15 AND NAME HA) 2.40 0.60 0.60  !     NOESCX32G12R.499
assign (RESID 15 AND NAME HD#) (RESID 15 AND NAME HA) 3.40 1.60 1.60  !     NOESCX32G12R.497
assign (RESID 16 AND NAME HD1) (RESID 16 AND NAME HA) 3.40 1.60 1.60  !     NOESCX32G12R.239
assign (RESID 16 AND NAME HD1) (RESID 16 AND NAME HB#) 3.40 1.60 1.60  !     NOESCX32G12R.240
assign (RESID 16 AND NAME HB#) (RESID 16 AND NAME HA) 2.75 0.95 0.95  !     NOESCX32G12R.464
assign (RESID 16 AND NAME HD1) (RESID 16 AND NAME HB#) 3.40 1.60 1.60  !     NOESCX32G12R.241
assign (RESID 16 AND NAME HN) (RESID 16 AND NAME HA) 2.75 0.95 0.95  !     NOESCX32G12R.21
assign (RESID 17 AND NAME HN) (RESID 17 AND NAME HB#) 3.40 1.60 1.60  !     NOESCX32G12R.55
assign (RESID 17 AND NAME HN) (RESID 17 AND NAME HA) 2.40 0.60 0.60  !     NOESCX32G12R.54
assign (RESID 17 AND NAME HN) (RESID 17 AND NAME HB#) 3.40 1.60 1.60  !     NOESCX32G12R.53
assign (RESID 18 AND NAME HN) (RESID 18 AND NAME HG1) 3.40 1.60 1.60  !     NOESCX32G12R.50
assign (RESID 18 AND NAME HG1) (RESID 18 AND NAME HB) 2.40 0.60 0.60  !     NOESCX32G12R.496
assign (RESID 18 AND NAME HG1) (RESID 18 AND NAME HA) 2.40 0.60 0.60  !     NOESCX32G12R.482
assign (RESID 19 AND NAME HN) (RESID 19 AND NAME HA) 2.40 0.60 0.60  !     NOESCX32G12R.43
assign (RESID 19 AND NAME HB#) (RESID 19 AND NAME HA) 2.40 0.60 0.60  !     NOESCX32G12R.483
assign (RESID 19 AND NAME HN) (RESID 19 AND NAME HB#) 2.75 0.95 0.95  !     NOESCX32G12R.46
assign (RESID 20 AND NAME HN) (RESID 20 AND NAME HG1#) 3.40 1.60 1.60  !     NOESCX32G12R.100
assign (RESID 20 AND NAME HN) (RESID 20 AND NAME HG1#) 3.40 1.60 1.60  !     NOESCX32G12R.102
assign (RESID 20 AND NAME HN) (RESID 20 AND NAME HG2#) 3.40 1.60 1.60  !     NOESCX32G12R.101
assign (RESID 20 AND NAME HB) (RESID 20 AND NAME HA) 2.75 0.95 0.95  !     NOESCX32G12R.517
assign (RESID 20 AND NAME HG2#) (RESID 20 AND NAME HA) 2.75 0.95 0.95  !     NOESCX32G12R.518
assign (RESID 20 AND NAME HN) (RESID 20 AND NAME HA) 2.40 0.60 0.60  !     NOESCX32G12R.97
assign (RESID 20 AND NAME HN) (RESID 20 AND NAME HB) 2.75 0.95 0.95  !     NOESCX32G12R.98
assign (RESID 21 AND NAME HN) (RESID 21 AND NAME HA#) 2.40 0.60 0.60  !     NOESCX32G12R.11
assign (RESID 22 AND NAME HN) (RESID 22 AND NAME HB#) 3.40 1.60 1.60  !     NOESCX32G12R.166
assign (RESID 22 AND NAME HN) (RESID 22 AND NAME HA) 2.40 0.60 0.60  !     NOESCX32G12R.164
assign (RESID 2 AND NAME HN) (RESID 1 AND NAME HB#) 3.40 1.60 1.60  !     NOESCX32G12R.29
assign (RESID 2 AND NAME HN) (RESID 1 AND NAME HA) 2.40 0.60 0.60  !     NOESCX32G12R.27
assign (RESID 3 AND NAME HN) (RESID 2 AND NAME HB#) 2.75 0.95 0.95  !     NOESCX32G12R.66
assign (RESID 3 AND NAME HN) (RESID 2 AND NAME HB#) 3.40 1.60 1.60  !     NOESCX32G12R.65
assign (RESID 3 AND NAME HE3) (RESID 4 AND NAME HG1) 3.40 1.60 1.60  !     NOESCX32G12R.191
assign (RESID 3 AND NAME HZ3) (RESID 4 AND NAME HG1) 3.40 1.60 1.60  !     NOESCX32G12R.245
assign (RESID 3 AND NAME HE3) (RESID 4 AND NAME HA) 3.40 1.60 1.60  !     NOESCX32G12R.190
assign (RESID 3 AND NAME HD1) (RESID 4 AND NAME HN) 3.40 1.60 1.60  !     NOESCX32G12R.432
assign (RESID 4 AND NAME HN) (RESID 3 AND NAME HB#) 3.40 1.60 1.60  !     NOESCX32G12R.125
assign (RESID 4 AND NAME HN) (RESID 3 AND NAME HB#) 3.40 1.60 1.60  !     NOESCX32G12R.122
assign (RESID 3 AND NAME HD1) (RESID 4 AND NAME HA) 3.40 1.60 2.10  !     NOESCX32G12R.213
assign (RESID 4 AND NAME HN) (RESID 3 AND NAME HA) 2.75 0.95 0.95  !     NOESCX32G12R.121
assign (RESID 3 AND NAME HZ3) (RESID 4 AND NAME HA) 2.75 0.95 0.95  !     NOESCX32G12R.251
assign (RESID 4 AND NAME HN) (RESID 3 AND NAME HN) 2.75 0.95 0.95  !     NOESCX32G12R.436
assign (RESID 5 AND NAME HN) (RESID 4 AND NAME HN) 3.40 1.60 1.60  !     NOESCX32G12R.434
assign (RESID 5 AND NAME HN) (RESID 4 AND NAME HG1) 3.40 1.60 1.60  !     NOESCX32G12R.174
assign (RESID 5 AND NAME HN) (RESID 4 AND NAME HA) 2.75 0.95 0.95  !     NOESCX32G12R.172
assign (RESID 6 AND NAME HN) (RESID 5 AND NAME HA#) 2.40 0.60 0.60  !     NOESCX32G12R.154
assign (RESID 5 AND NAME HN) (RESID 6 AND NAME HN) 2.75 0.95 0.95  !     NOESCX32G12R.435
assign (RESID 7 AND NAME HN) (RESID 6 AND NAME HD2#) 3.40 1.60 1.60  !     NOESCX32G12R.69
assign (RESID 7 AND NAME HN) (RESID 6 AND NAME HB#) 2.75 0.95 0.95  !     NOESCX32G12R.67
assign (RESID 7 AND NAME HD1) (RESID 6 AND NAME HG) 3.40 1.60 1.60  !     NOESCX32G12R.263
assign (RESID 7 AND NAME HE1) (RESID 6 AND NAME HD2#) 3.40 1.60 1.60  !     NOESCX32G12R.306
assign (RESID 7 AND NAME HE1) (RESID 6 AND NAME HD1#) 3.40 1.60 1.60  !     NOESCX32G12R.300
assign (RESID 6 AND NAME HN) (RESID 7 AND NAME HN) 2.40 0.60 0.60  !     NOESCX32G12R.441
assign (RESID 7 AND NAME HN) (RESID 6 AND NAME HD1#) 3.40 1.60 1.60  !     NOESCX32G12R.70
assign (RESID 7 AND NAME HN) (RESID 6 AND NAME HA) 2.40 0.60 0.60  !     NOESCX32G12R.60
assign (RESID 7 AND NAME HB#) (RESID 8 AND NAME HA) 3.40 1.60 1.60  !     NOESCX32G12R.510
assign (RESID 7 AND NAME HN) (RESID 8 AND NAME HG1) 3.40 1.60 1.60  !     NOESCX32G12R.58
assign (RESID 8 AND NAME HN) (RESID 7 AND NAME HB#) 3.40 1.60 1.60  !     NOESCX32G12R.136
assign (RESID 8 AND NAME HN) (RESID 7 AND NAME HN) 2.75 0.95 0.95  !     NOESCX32G12R.437
assign (RESID 7 AND NAME HE1) (RESID 8 AND NAME HG1) 3.40 1.60 1.60  !     NOESCX32G12R.304
assign (RESID 7 AND NAME HB#) (RESID 8 AND NAME HA) 3.40 1.60 1.60  !     NOESCX32G12R.509
assign (RESID 7 AND NAME HD1) (RESID 8 AND NAME HG1) 3.40 1.60 1.60  !     NOESCX32G12R.259
assign (RESID 8 AND NAME HN) (RESID 7 AND NAME HA) 2.75 0.95 0.95  !     NOESCX32G12R.129
assign (RESID 7 AND NAME HD1) (RESID 8 AND NAME HN) 3.40 1.60 1.60  !     NOESCX32G12R.433
assign (RESID 8 AND NAME HN) (RESID 7 AND NAME HB#) 2.75 0.95 0.95  !     NOESCX32G12R.135
assign (RESID 9 AND NAME HN) (RESID 8 AND NAME HA) 2.40 0.60 0.60  !     NOESCX32G12R.114
assign (RESID 9 AND NAME HN) (RESID 8 AND NAME HG1) 2.75 0.95 0.95  !     NOESCX32G12R.112
assign (RESID 8 AND NAME HN) (RESID 9 AND NAME HN) 2.75 0.95 0.95  !     NOESCX32G12R.438
assign (RESID 9 AND NAME HD2#) (RESID 8 AND NAME HB) 3.40 1.60 1.60  !     NOESCX32G12R.514
assign (RESID 10 AND NAME HN) (RESID 9 AND NAME HA) 2.40 0.60 0.60  !     NOESCX32G12R.81
assign (RESID 11 AND NAME HN) (RESID 10 AND NAME HA) 2.40 0.60 1.10  !     NOESCX32G12R.105
assign (RESID 11 AND NAME HN) (RESID 10 AND NAME HB#) 3.40 1.60 1.60  !     NOESCX32G12R.108
assign (RESID 11 AND NAME HN) (RESID 10 AND NAME HD2#) 3.40 1.60 1.60  !     NOESCX32G12R.109
assign (RESID 12 AND NAME HN) (RESID 11 AND NAME HB#) 3.40 1.60 1.60  !     NOESCX32G12R.83
assign (RESID 12 AND NAME HN) (RESID 11 AND NAME HB#) 3.40 1.60 1.60  !     NOESCX32G12R.91
assign (RESID 13 AND NAME HN) (RESID 12 AND NAME HB#) 3.40 1.60 1.60  !     NOESCX32G12R.137
assign (RESID 13 AND NAME HN) (RESID 12 AND NAME HA) 2.40 0.60 0.60  !     NOESCX32G12R.140
assign (RESID 13 AND NAME HN) (RESID 12 AND NAME HB#) 3.40 1.60 1.60  !     NOESCX32G12R.143
assign (RESID 13 AND NAME HG2#) (RESID 12 AND NAME HA) 3.40 1.60 1.60  !     NOESCX32G12R.491
assign (RESID 13 AND NAME HN) (RESID 12 AND NAME HN) 2.75 0.95 0.95  !     NOESCX32G12R.440
assign (RESID 13 AND NAME HN) (RESID 14 AND NAME HN) 2.75 0.95 0.95  !     NOESCX32G12R.439
assign (RESID 13 AND NAME HG1#) (RESID 14 AND NAME HA) 3.40 1.60 1.60  !     NOESCX32G12R.460
assign (RESID 14 AND NAME HN) (RESID 13 AND NAME HB) 3.40 1.60 1.60  !     NOESCX32G12R.18
assign (RESID 14 AND NAME HN) (RESID 13 AND NAME HG2#) 3.40 1.60 1.60  !     NOESCX32G12R.20
assign (RESID 14 AND NAME HD2#) (RESID 13 AND NAME HG1#) 3.40 1.60 1.60  !     NOESCX32G12R.274
assign (RESID 14 AND NAME HN) (RESID 13 AND NAME HG1#) 3.40 1.60 1.60  !     NOESCX32G12R.19
assign (RESID 14 AND NAME HD2#) (RESID 13 AND NAME HG2#) 3.40 1.60 1.60  !     NOESCX32G12R.273
assign (RESID 14 AND NAME HN) (RESID 13 AND NAME HA) 2.40 0.60 0.60  !     NOESCX32G12R.15
assign (RESID 14 AND NAME HD2#) (RESID 13 AND NAME HG2#) 3.40 1.60 1.60  !     NOESCX32G12R.179
assign (RESID 16 AND NAME HD1) (RESID 15 AND NAME HG#) 3.40 1.60 1.60  !     NOESCX32G12R.242
assign (RESID 17 AND NAME HN) (RESID 16 AND NAME HA) 2.75 0.95 0.95  !     NOESCX32G12R.47
assign (RESID 20 AND NAME HN) (RESID 19 AND NAME HA) 2.40 0.60 0.60  !     NOESCX32G12R.96
assign (RESID 20 AND NAME HN) (RESID 19 AND NAME HB#) 3.40 1.60 1.60  !     NOESCX32G12R.99
assign (RESID 20 AND NAME HN) (RESID 19 AND NAME HN) 3.40 1.60 1.60  !     NOESCX32G12R.444
assign (RESID 21 AND NAME HN) (RESID 20 AND NAME HB) 3.40 1.60 1.60  !     NOESCX32G12R.6
assign (RESID 21 AND NAME HN) (RESID 20 AND NAME HA) 2.40 0.60 0.60  !     NOESCX32G12R.5
assign (RESID 21 AND NAME HN) (RESID 20 AND NAME HG2#) 3.40 1.60 1.60  !     NOESCX32G12R.8
assign (RESID 20 AND NAME HN) (RESID 21 AND NAME HN) 3.40 1.60 1.60  !     NOESCX32G12R.443
assign (RESID 22 AND NAME HN) (RESID 21 AND NAME HN) 3.40 1.60 1.60  !     NOESCX32G12R.442
assign (RESID 22 AND NAME HN) (RESID 21 AND NAME HA#) 2.40 0.60 0.60  !     NOESCX32G12R.165
assign (RESID 3 AND NAME HD1) (RESID 1 AND NAME HB#) 3.40 1.60 1.60  !     NOESCX32G12R.217
assign (RESID 3 AND NAME HZ2) (RESID 1 AND NAME HB#) 3.40 1.60 1.60  !     NOESCX32G12R.198
assign (RESID 3 AND NAME HZ2) (RESID 1 AND NAME HG#) 3.40 1.60 1.60  !     NOESCX32G12R.201
assign (RESID 2 AND NAME HD2#) (RESID 5 AND NAME HA#) 3.40 1.60 1.60  !     NOESCX32G12R.280
assign (RESID 3 AND NAME HE3) (RESID 6 AND NAME HD1#) 2.75 0.95 0.95  !     NOESCX32G12R.193
assign (RESID 3 AND NAME HE3) (RESID 6 AND NAME HD2#) 3.40 1.60 1.60  !     NOESCX32G12R.192
assign (RESID 6 AND NAME HB#) (RESID 3 AND NAME HA) 3.40 1.60 1.60  !     NOESCX32G12R.465
assign (RESID 3 AND NAME HZ2) (RESID 6 AND NAME HD2#) 3.40 1.60 1.60  !     NOESCX32G12R.199
assign (RESID 3 AND NAME HE3) (RESID 6 AND NAME HB#) 3.40 1.60 1.60  !     NOESCX32G12R.197
assign (RESID 6 AND NAME HD2#) (RESID 3 AND NAME HB#) 3.40 1.60 1.60  !     NOESCX32G12R.540
assign (RESID 6 AND NAME HD2#) (RESID 3 AND NAME HB#) 3.40 1.60 1.60  !     NOESCX32G12R.541
assign (RESID 6 AND NAME HN) (RESID 3 AND NAME HA) 3.40 1.60 1.60  !     NOESCX32G12R.152
assign (RESID 6 AND NAME HD2#) (RESID 3 AND NAME HA) 3.40 1.60 1.60  !     NOESCX32G12R.467
assign (RESID 3 AND NAME HZ3) (RESID 6 AND NAME HD1#) 2.75 0.95 0.95  !     NOESCX32G12R.247
assign (RESID 7 AND NAME HD1) (RESID 3 AND NAME HB#) 3.40 1.60 1.60  !     NOESCX32G12R.261
assign (RESID 3 AND NAME HH2) (RESID 6 AND NAME HD2#) 3.40 1.60 1.60  !     NOESCX32G12R.233
assign (RESID 3 AND NAME HZ3) (RESID 6 AND NAME HD2#) 3.40 1.60 1.60  !     NOESCX32G12R.253
assign (RESID 3 AND NAME HD1) (RESID 6 AND NAME HD2#) 3.40 1.60 1.60  !     NOESCX32G12R.227
assign (RESID 3 AND NAME HH2) (RESID 6 AND NAME HD1#) 3.40 1.60 1.60  !     NOESCX32G12R.234
!assign (RESID 3 AND NAME HD1) (RESID 5 AND NAME HA#) 3.40 1.60 2.10  !     NOESCX32G12R.214
assign (RESID 3 AND NAME HZ2) (RESID 6 AND NAME HD1#) 3.40 1.60 1.60  !     NOESCX32G12R.204
assign (RESID 7 AND NAME HE1) (RESID 4 AND NAME HB) 3.40 1.60 1.60  !     NOESCX32G12R.296
assign (RESID 10 AND NAME HN) (RESID 6 AND NAME HB#) 3.40 1.60 1.60  !     NOESCX32G12R.87
assign (RESID 7 AND NAME HE1) (RESID 10 AND NAME HD2#) 3.40 1.60 1.60  !     NOESCX32G12R.305
assign (RESID 7 AND NAME HE1) (RESID 9 AND NAME HB#) 3.40 1.60 1.60  !     NOESCX32G12R.295
assign (RESID 10 AND NAME HN) (RESID 7 AND NAME HA) 3.40 1.60 1.60  !     NOESCX32G12R.79
assign (RESID 10 AND NAME HG) (RESID 7 AND NAME HA) 3.40 1.60 1.60  !     NOESCX32G12R.478
assign (RESID 7 AND NAME HN) (RESID 10 AND NAME HD2#) 3.40 1.60 1.60  !     NOESCX32G12R.68
assign (RESID 10 AND NAME HN) (RESID 8 AND NAME HG1) 3.40 1.60 1.60  !     NOESCX32G12R.88
assign (RESID 8 AND NAME HG1) (RESID 12 AND NAME HD#) 3.40 1.60 1.60  !     NOESCX32G12R.543
assign (RESID 13 AND NAME HN) (RESID 9 AND NAME HB#) 3.40 1.60 1.60  !     NOESCX32G12R.144
assign (RESID 10 AND NAME HD2#) (RESID 12 AND NAME HB#) 3.40 1.60 1.60  !     NOESCX32G12R.549
assign (RESID 13 AND NAME HN) (RESID 10 AND NAME HA) 3.40 1.60 1.60  !     NOESCX32G12R.130
assign (RESID 13 AND NAME HN) (RESID 10 AND NAME HB#) 3.40 1.60 1.60  !     NOESCX32G12R.145
assign (RESID 13 AND NAME HB) (RESID 15 AND NAME HA) 3.40 1.60 1.60  !     NOESCX32G12R.498
!assign (RESID 3 AND NAME HH2) (RESID 10 AND NAME HD2#) 3.40 1.60 1.60  !     NOESCX32G12R.231
!assign (RESID 3 AND NAME HZ3) (RESID 10 AND NAME HD2#) 3.40 1.60 1.60  !     NOESCX32G12R.246
!assign (RESID 3 AND NAME HD1) (RESID 10 AND NAME HB#) 3.40 1.60 1.60  !     NOESCX32G12R.218
!assign (RESID 3 AND NAME HZ2) (RESID 10 AND NAME HD2#) 3.40 1.60 1.60  !     NOESCX32G12R.203
assign (RESID 6 AND NAME HN) (RESID 13 AND NAME HG1#) 3.40 1.60 1.60  !     NOESCX32G12R.156
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ACE   0           HA1      ACE   0   4.156   0.797  13.142
    2    H2   ACE   0           HA2      ACE   0   3.537   2.071  14.191
    3    H3   ACE   0           HA3      ACE   0   5.220   2.133  13.676
    4    H    MET   1           HN       MET   1   5.699   3.305  11.962
    5    HA   MET   1           HA       MET   1   3.509   4.451  10.415
    6    HB2  MET   1           HB2      MET   1   5.387   5.885   9.456
    7    HB3  MET   1           HB1      MET   1   5.020   6.102  11.163
    8    HG2  MET   1           HG1      MET   1   6.920   4.665  11.740
    9    HG3  MET   1           HG2      MET   1   7.293   4.489  10.027
   10    HE1  MET   1           HE1      MET   1   9.421   5.466  12.193
   11    HE2  MET   1           HE2      MET   1  10.194   6.787  11.316
   12    HE3  MET   1           HE3      MET   1   9.785   5.291  10.476
   13    H    ASN   2           HN       ASN   2   2.884   2.853   8.991
   14    HA   ASN   2           HA       ASN   2   4.934   1.697   7.253
   15    HB2  ASN   2           HB2      ASN   2   3.181   0.236   8.342
   16    HB3  ASN   2           HB1      ASN   2   1.993   1.015   7.304
   17   HD21  ASN   2          HD21      ASN   2   3.588   1.206   4.949
   18   HD22  ASN   2          HD22      ASN   2   3.825  -0.391   4.345
   19    H    TRP   3           HN       TRP   3   5.315   2.486   5.348
   20    HA   TRP   3           HA       TRP   3   3.273   3.404   3.593
   21    HB2  TRP   3           HB1      TRP   3   4.264   5.697   3.294
   22    HB3  TRP   3           HB2      TRP   3   3.364   5.449   4.784
   23    HD1  TRP   3           HD1      TRP   3   4.903   5.140   7.051
   24    HE1  TRP   3           HE1      TRP   3   7.152   6.236   7.648
   25    HE3  TRP   3           HE3      TRP   3   6.387   6.422   2.377
   26    HZ2  TRP   3           HZ2      TRP   3   9.283   7.488   6.283
   27    HZ3  TRP   3           HZ3      TRP   3   8.553   7.569   2.081
   28    HH2  TRP   3           HH2      TRP   3   9.974   8.086   4.001
   29    H    THR   4           HN       THR   4   6.707   4.154   4.034
   30    HA   THR   4           HA       THR   4   8.286   4.268   2.328
   31    HB   THR   4           HB       THR   4   7.899   1.283   2.524
   32    HG1  THR   4           HG1      THR   4   8.709   3.152   4.469
   33   HG21  THR   4          HG21      THR   4  10.356   1.267   2.441
   34   HG22  THR   4          HG22      THR   4  10.360   3.026   2.313
   35   HG23  THR   4          HG23      THR   4   9.668   2.048   1.018
   36    H    GLY   5           HN       GLY   5   5.862   4.701   1.041
   37    HA2  GLY   5           HA2      GLY   5   6.442   3.701  -1.583
   38    HA3  GLY   5           HA1      GLY   5   5.002   2.971  -0.886
   39    H    LEU   6           HN       LEU   6   5.663   6.197   0.072
   40    HA   LEU   6           HA       LEU   6   3.476   7.134  -1.660
   41    HB2  LEU   6           HB1      LEU   6   3.414   9.047   0.014
   42    HB3  LEU   6           HB2      LEU   6   2.861   7.478   0.564
   43    HG   LEU   6           HG       LEU   6   5.257   7.190   1.477
   44   HD11  LEU   6          HD11      LEU   6   6.361   9.287   2.106
   45   HD12  LEU   6          HD12      LEU   6   5.172  10.184   1.159
   46   HD13  LEU   6          HD13      LEU   6   6.283   9.075   0.356
   47   HD21  LEU   6          HD21      LEU   6   3.406   9.199   2.738
   48   HD22  LEU   6          HD22      LEU   6   4.665   8.276   3.561
   49   HD23  LEU   6          HD23      LEU   6   3.271   7.445   2.869
   50    H    TYR   7           HN       TYR   7   6.484   6.978  -2.184
   51    HA   TYR   7           HA       TYR   7   6.708   9.680  -3.230
   52    HB2  TYR   7           HB2      TYR   7   9.124   9.732  -2.570
   53    HB3  TYR   7           HB1      TYR   7   7.989   9.784  -1.225
   54    HD1  TYR   7           HD1      TYR   7   7.252   7.186  -0.614
   55    HD2  TYR   7           HD2      TYR   7  11.028   8.508  -2.036
   56    HE1  TYR   7           HE1      TYR   7   8.281   5.234   0.365
   57    HE2  TYR   7           HE2      TYR   7  12.099   6.531  -1.029
   58    HH   TYR   7           HH       TYR   7  11.647   4.905   0.764
   59    H    THR   8           HN       THR   8   8.312   6.490  -3.256
   60    HA   THR   8           HA       THR   8   8.906   6.937  -6.112
   61    HB   THR   8           HB       THR   8  10.704   5.257  -5.856
   62    HG1  THR   8           HG1      THR   8   9.576   4.391  -3.860
   63   HG21  THR   8          HG21      THR   8  10.814   7.641  -4.008
   64   HG22  THR   8          HG22      THR   8  11.344   7.565  -5.688
   65   HG23  THR   8          HG23      THR   8  12.217   6.668  -4.446
   66    H    LEU   9           HN       LEU   9   6.503   5.670  -4.661
   67    HA   LEU   9           HA       LEU   9   6.385   3.345  -6.408
   68    HB2  LEU   9           HB1      LEU   9   5.789   3.266  -3.468
   69    HB3  LEU   9           HB2      LEU   9   5.382   1.984  -4.593
   70    HG   LEU   9           HG       LEU   9   8.201   2.944  -4.109
   71   HD11  LEU   9          HD21      LEU   9   6.778   0.575  -2.920
   72   HD12  LEU   9          HD22      LEU   9   7.274   2.029  -2.055
   73   HD13  LEU   9          HD23      LEU   9   8.491   0.954  -2.742
   74   HD21  LEU   9          HD11      LEU   9   7.875   1.860  -6.254
   75   HD22  LEU   9          HD12      LEU   9   7.097   0.488  -5.464
   76   HD23  LEU   9          HD13      LEU   9   8.805   0.820  -5.175
   77    H    LEU  10           HN       LEU  10   4.551   5.060  -3.974
   78    HA   LEU  10           HA       LEU  10   2.302   5.479  -3.782
   79    HB2  LEU  10           HB2      LEU  10   2.944   6.522  -6.533
   80    HB3  LEU  10           HB1      LEU  10   1.506   6.943  -5.621
   81    HG   LEU  10           HG       LEU  10   3.025   7.841  -3.822
   82   HD11  LEU  10          HD21      LEU  10   5.093   6.843  -4.164
   83   HD12  LEU  10          HD22      LEU  10   5.331   8.490  -4.754
   84   HD13  LEU  10          HD23      LEU  10   5.072   7.173  -5.898
   85   HD21  LEU  10          HD11      LEU  10   3.217   9.113  -6.550
   86   HD22  LEU  10          HD12      LEU  10   3.496   9.927  -5.010
   87   HD23  LEU  10          HD13      LEU  10   1.891   9.310  -5.403
   88    H    SER  11           HN       SER  11   2.101   5.008  -7.269
   89    HA   SER  11           HA       SER  11  -0.231   3.396  -7.021
   90    HB2  SER  11           HB2      SER  11   1.537   3.915  -9.424
   91    HB3  SER  11           HB1      SER  11  -0.056   3.160  -9.479
   92    HG   SER  11           HG       SER  11  -0.468   5.254  -9.864
   93    H    ARG  12           HN       ARG  12   2.802   2.594  -6.278
   94    HA   ARG  12           HA       ARG  12   2.607  -0.147  -7.328
   95    HB2  ARG  12           HB1      ARG  12   5.046   1.219  -6.183
   96    HB3  ARG  12           HB2      ARG  12   4.995  -0.337  -6.997
   97    HG2  ARG  12           HG2      ARG  12   4.459   0.719  -9.090
   98    HG3  ARG  12           HG1      ARG  12   4.338   2.294  -8.302
   99    HD2  ARG  12           HD1      ARG  12   6.475   2.086  -9.430
  100    HD3  ARG  12           HD2      ARG  12   6.712   2.154  -7.683
  101    HE   ARG  12           HE       ARG  12   6.560  -0.530  -8.410
  102   HH11  ARG  12          HH11      ARG  12  10.071   1.253  -9.136
  103   HH12  ARG  12          HH12      ARG  12   8.642   2.213  -8.946
  104   HH21  ARG  12          HH21      ARG  12   9.954  -1.028  -8.972
  105   HH22  ARG  12          HH22      ARG  12   8.436  -1.800  -8.658
  106    H    VAL  13           HN       VAL  13   1.502   1.327  -4.830
  107    HA   VAL  13           HA       VAL  13   2.458  -0.613  -2.835
  108    HB   VAL  13           HB       VAL  13   1.048   1.930  -2.108
  109   HG11  VAL  13          HG11      VAL  13   1.299   0.382  -0.322
  110   HG12  VAL  13          HG12      VAL  13   2.483   1.668  -0.074
  111   HG13  VAL  13          HG13      VAL  13   2.995   0.108  -0.719
  112   HG21  VAL  13          HG21      VAL  13   3.280   2.987  -1.838
  113   HG22  VAL  13          HG22      VAL  13   2.834   2.687  -3.518
  114   HG23  VAL  13          HG23      VAL  13   3.984   1.624  -2.707
  115    H    ASN  14           HN       ASN  14   0.935  -2.178  -3.564
  116    HA   ASN  14           HA       ASN  14  -1.793  -1.846  -3.873
  117    HB2  ASN  14           HB2      ASN  14  -0.214  -4.219  -2.876
  118    HB3  ASN  14           HB1      ASN  14  -1.944  -4.290  -3.194
  119   HD21  ASN  14          HD21      ASN  14   0.282  -2.373  -5.087
  120   HD22  ASN  14          HD22      ASN  14   0.171  -3.320  -6.527
  121    H    ARG  15           HN       ARG  15  -2.992  -0.727  -2.459
  122    HA   ARG  15           HA       ARG  15  -2.595  -0.590   0.307
  123    HB2  ARG  15           HB2      ARG  15  -5.148  -0.148  -1.253
  124    HB3  ARG  15           HB1      ARG  15  -4.859   0.378   0.400
  125    HG2  ARG  15           HG2      ARG  15  -3.305   1.304  -2.008
  126    HG3  ARG  15           HG1      ARG  15  -4.617   2.195  -1.233
  127    HD2  ARG  15           HD2      ARG  15  -3.333   2.286   0.844
  128    HD3  ARG  15           HD1      ARG  15  -2.024   1.386   0.078
  129    HE   ARG  15           HE       ARG  15  -2.573   3.682  -1.443
  130   HH11  ARG  15          HH11      ARG  15  -1.219   2.761   1.633
  131   HH12  ARG  15          HH12      ARG  15  -0.172   4.137   1.729
  132   HH21  ARG  15          HH21      ARG  15  -1.197   5.496  -1.325
  133   HH22  ARG  15          HH22      ARG  15  -0.160   5.692   0.048
  134    H    HIS  16           HN       HIS  16  -2.693  -2.237   1.678
  135    HA   HIS  16           HA       HIS  16  -3.377  -4.103   2.779
  136    HB2  HIS  16           HB1      HIS  16  -6.061  -3.346   1.604
  137    HB3  HIS  16           HB2      HIS  16  -5.814  -4.513   2.900
  138    HD1  HIS  16           HD1      HIS  16  -6.234  -0.929   2.256
  139    HD2  HIS  16           HD2      HIS  16  -4.855  -3.327   5.357
  140    HE1  HIS  16           HE1      HIS  16  -6.199   0.553   4.287
  141    HE2  HIS  16           HE2      HIS  16  -5.362  -0.919   6.153
  142    H    SER  17           HN       SER  17  -5.012  -6.169   2.311
  143    HA   SER  17           HA       SER  17  -3.771  -7.428   0.013
  144    HB2  SER  17           HB2      SER  17  -5.631  -8.555   2.120
  145    HB3  SER  17           HB1      SER  17  -4.800  -9.500   0.885
  146    HG   SER  17           HG       SER  17  -3.162  -9.543   2.179
  147    H    THR  18           HN       THR  18  -5.463  -9.183  -0.984
  148    HA   THR  18           HA       THR  18  -7.122  -7.686  -2.693
  149    HB   THR  18           HB       THR  18  -7.239 -10.658  -2.140
  150    HG1  THR  18           HG1      THR  18  -5.454  -9.064  -3.515
  151   HG21  THR  18          HG21      THR  18  -8.187  -9.043  -4.511
  152   HG22  THR  18          HG22      THR  18  -9.215  -9.843  -3.322
  153   HG23  THR  18          HG23      THR  18  -8.198 -10.803  -4.397
  154    H    ALA  19           HN       ALA  19  -9.286  -7.280  -2.715
  155    HA   ALA  19           HA       ALA  19 -10.676  -7.173  -0.270
  156    HB1  ALA  19           HB1      ALA  19 -12.585  -6.430  -1.587
  157    HB2  ALA  19           HB2      ALA  19 -11.785  -6.958  -3.067
  158    HB3  ALA  19           HB3      ALA  19 -11.106  -5.632  -2.123
  159    H    ILE  20           HN       ILE  20 -12.602  -8.261   0.374
  160    HA   ILE  20           HA       ILE  20 -13.204 -10.789  -0.965
  161    HB   ILE  20           HB       ILE  20 -11.537 -11.385   0.716
  162   HG12  ILE  20          HG12      ILE  20 -14.309 -12.236   1.587
  163   HG13  ILE  20          HG11      ILE  20 -13.433 -12.925   0.224
  164   HG21  ILE  20          HG21      ILE  20 -11.976 -11.059   3.102
  165   HG22  ILE  20          HG22      ILE  20 -13.443 -10.162   2.708
  166   HG23  ILE  20          HG23      ILE  20 -11.866  -9.521   2.246
  167   HD11  ILE  20          HD11      ILE  20 -13.279 -14.354   2.171
  168   HD12  ILE  20          HD12      ILE  20 -12.583 -13.032   3.107
  169   HD13  ILE  20          HD13      ILE  20 -11.693 -13.711   1.745
  170    H    GLY  21           HN       GLY  21 -15.302 -11.497  -0.697
  171    HA2  GLY  21           HA1      GLY  21 -17.268  -9.579  -0.115
  172    HA3  GLY  21           HA2      GLY  21 -17.555 -11.302  -0.306
  173    H    ARG  22           HN       ARG  22 -16.334 -12.462   1.763
  174    HA   ARG  22           HA       ARG  22 -16.873 -11.079   4.234
  175    HB2  ARG  22           HB1      ARG  22 -19.128 -11.823   3.589
  176    HB3  ARG  22           HB2      ARG  22 -18.547 -13.478   3.469
  177    HG2  ARG  22           HG1      ARG  22 -18.036 -13.478   5.856
  178    HG3  ARG  22           HG2      ARG  22 -18.615 -11.815   5.978
  179    HD2  ARG  22           HD1      ARG  22 -20.323 -13.386   6.717
  180    HD3  ARG  22           HD2      ARG  22 -20.838 -12.531   5.263
  181    HE   ARG  22           HE       ARG  22 -19.627 -14.922   4.480
  182   HH11  ARG  22          HH11      ARG  22 -23.418 -15.211   5.737
  183   HH12  ARG  22          HH12      ARG  22 -22.464 -13.838   6.190
  184   HH21  ARG  22          HH21      ARG  22 -20.876 -16.732   3.880
  185   HH22  ARG  22          HH22      ARG  22 -22.516 -16.855   4.424
  Start of MODEL    2
    1    H1   ACE   0           HA1      ACE   0   3.152  -1.989  11.339
    2    H2   ACE   0           HA2      ACE   0   1.764  -1.290  12.168
    3    H3   ACE   0           HA3      ACE   0   3.381  -0.729  12.590
    4    H    MET   1           HN       MET   1   4.369  -0.662   9.907
    5    HA   MET   1           HA       MET   1   2.668   1.240   8.514
    6    HB2  MET   1           HB1      MET   1   4.493   2.927   8.376
    7    HB3  MET   1           HB2      MET   1   3.855   2.718  10.000
    8    HG2  MET   1           HG2      MET   1   6.354   1.366   9.023
    9    HG3  MET   1           HG1      MET   1   6.346   2.937   9.818
   10    HE1  MET   1           HE1      MET   1   8.050   2.037  11.636
   11    HE2  MET   1           HE2      MET   1   8.066   0.455  10.858
   12    HE3  MET   1           HE3      MET   1   7.783   0.581  12.593
   13    H    ASN   2           HN       ASN   2   2.752   0.840   6.407
   14    HA   ASN   2           HA       ASN   2   5.219  -0.324   5.298
   15    HB2  ASN   2           HB1      ASN   2   3.315  -1.983   5.541
   16    HB3  ASN   2           HB2      ASN   2   2.440  -1.031   4.345
   17   HD21  ASN   2          HD21      ASN   2   4.365  -2.102   1.604
   18   HD22  ASN   2          HD22      ASN   2   3.325  -0.863   2.213
   19    H    TRP   3           HN       TRP   3   3.481   2.375   5.350
   20    HA   TRP   3           HA       TRP   3   2.749   3.077   2.804
   21    HB2  TRP   3           HB1      TRP   3   3.345   5.403   3.374
   22    HB3  TRP   3           HB2      TRP   3   2.433   4.606   4.661
   23    HD1  TRP   3           HD1      TRP   3   3.688   4.176   6.937
   24    HE1  TRP   3           HE1      TRP   3   5.868   5.114   7.938
   25    HE3  TRP   3           HE3      TRP   3   5.728   6.072   2.695
   26    HZ2  TRP   3           HZ2      TRP   3   8.156   6.482   7.009
   27    HZ3  TRP   3           HZ3      TRP   3   7.925   7.176   2.815
   28    HH2  TRP   3           HH2      TRP   3   9.119   7.372   4.937
   29    H    THR   4           HN       THR   4   5.905   2.508   4.055
   30    HA   THR   4           HA       THR   4   7.683   3.902   2.685
   31    HB   THR   4           HB       THR   4   7.791   0.880   2.704
   32    HG1  THR   4           HG1      THR   4   8.215   2.819   4.703
   33   HG21  THR   4          HG21      THR   4  10.220   1.211   2.738
   34   HG22  THR   4          HG22      THR   4   9.985   2.956   2.643
   35   HG23  THR   4          HG23      THR   4   9.499   1.925   1.296
   36    H    GLY   5           HN       GLY   5   6.878   4.759   0.784
   37    HA2  GLY   5           HA1      GLY   5   7.566   4.127  -1.628
   38    HA3  GLY   5           HA2      GLY   5   6.319   2.903  -1.416
   39    H    LEU   6           HN       LEU   6   5.430   5.579   0.331
   40    HA   LEU   6           HA       LEU   6   3.360   6.244  -1.545
   41    HB2  LEU   6           HB2      LEU   6   2.313   7.292   0.183
   42    HB3  LEU   6           HB1      LEU   6   3.279   6.114   1.038
   43    HG   LEU   6           HG       LEU   6   3.578   9.093   0.954
   44   HD11  LEU   6          HD21      LEU   6   3.648   8.895   3.313
   45   HD12  LEU   6          HD22      LEU   6   3.896   7.151   3.229
   46   HD13  LEU   6          HD23      LEU   6   2.343   7.846   2.758
   47   HD21  LEU   6          HD11      LEU   6   5.789   7.122   1.201
   48   HD22  LEU   6          HD12      LEU   6   5.798   8.530   2.261
   49   HD23  LEU   6          HD13      LEU   6   5.791   8.745   0.510
   50    H    TYR   7           HN       TYR   7   6.290   6.945  -1.962
   51    HA   TYR   7           HA       TYR   7   5.835   9.735  -2.704
   52    HB2  TYR   7           HB1      TYR   7   8.325  10.070  -2.314
   53    HB3  TYR   7           HB2      TYR   7   7.320   9.882  -0.880
   54    HD1  TYR   7           HD1      TYR   7   6.988   7.236  -0.292
   55    HD2  TYR   7           HD2      TYR   7  10.370   8.995  -2.180
   56    HE1  TYR   7           HE1      TYR   7   8.346   5.383   0.445
   57    HE2  TYR   7           HE2      TYR   7  11.769   7.115  -1.423
   58    HH   TYR   7           HH       TYR   7  11.750   5.402   0.344
   59    H    THR   8           HN       THR   8   7.306   6.661  -3.497
   60    HA   THR   8           HA       THR   8   7.486   7.515  -6.284
   61    HB   THR   8           HB       THR   8   9.729   6.545  -6.567
   62    HG1  THR   8           HG1      THR   8   9.320   5.361  -4.357
   63   HG21  THR   8          HG21      THR   8  11.007   8.317  -5.472
   64   HG22  THR   8          HG22      THR   8   9.636   8.671  -4.421
   65   HG23  THR   8          HG23      THR   8   9.513   8.956  -6.157
   66    H    LEU   9           HN       LEU   9   6.135   5.467  -4.323
   67    HA   LEU   9           HA       LEU   9   6.116   3.311  -6.286
   68    HB2  LEU   9           HB2      LEU   9   6.626   2.849  -3.354
   69    HB3  LEU   9           HB1      LEU   9   6.319   1.591  -4.533
   70    HG   LEU   9           HG       LEU   9   8.676   3.473  -4.652
   71   HD11  LEU   9          HD21      LEU   9   8.814   2.091  -2.663
   72   HD12  LEU   9          HD22      LEU   9   9.997   1.571  -3.865
   73   HD13  LEU   9          HD23      LEU   9   8.513   0.647  -3.629
   74   HD21  LEU   9          HD11      LEU   9   9.552   1.834  -6.252
   75   HD22  LEU   9          HD12      LEU   9   8.048   2.564  -6.812
   76   HD23  LEU   9          HD13      LEU   9   8.039   0.933  -6.144
   77    H    LEU  10           HN       LEU  10   4.374   5.472  -4.903
   78    HA   LEU  10           HA       LEU  10   2.304   4.561  -3.451
   79    HB2  LEU  10           HB1      LEU  10   2.117   6.350  -5.873
   80    HB3  LEU  10           HB2      LEU  10   0.853   6.167  -4.674
   81    HG   LEU  10           HG       LEU  10   2.520   7.007  -2.960
   82   HD11  LEU  10          HD21      LEU  10   4.133   7.271  -5.436
   83   HD12  LEU  10          HD22      LEU  10   4.639   6.884  -3.786
   84   HD13  LEU  10          HD23      LEU  10   4.253   8.549  -4.228
   85   HD21  LEU  10          HD11      LEU  10   2.192   9.351  -3.582
   86   HD22  LEU  10          HD12      LEU  10   0.727   8.401  -3.829
   87   HD23  LEU  10          HD13      LEU  10   1.728   8.850  -5.209
   88    H    SER  11           HN       SER  11   1.947   4.707  -6.990
   89    HA   SER  11           HA       SER  11  -0.183   2.837  -7.025
   90    HB2  SER  11           HB2      SER  11   1.612   3.759  -9.287
   91    HB3  SER  11           HB1      SER  11   0.089   2.891  -9.480
   92    HG   SER  11           HG       SER  11  -1.011   4.644  -8.906
   93    H    ARG  12           HN       ARG  12   3.101   2.442  -6.612
   94    HA   ARG  12           HA       ARG  12   3.164  -0.252  -7.758
   95    HB2  ARG  12           HB1      ARG  12   5.373   1.463  -6.604
   96    HB3  ARG  12           HB2      ARG  12   5.598  -0.130  -7.317
   97    HG2  ARG  12           HG1      ARG  12   4.957   0.670  -9.474
   98    HG3  ARG  12           HG2      ARG  12   4.471   2.229  -8.806
   99    HD2  ARG  12           HD2      ARG  12   6.792   2.666  -8.150
  100    HD3  ARG  12           HD1      ARG  12   7.273   1.112  -8.832
  101    HE   ARG  12           HE       ARG  12   5.999   2.504 -10.857
  102   HH11  ARG  12          HH11      ARG  12   9.713   3.772 -10.060
  103   HH12  ARG  12          HH12      ARG  12   8.831   2.885  -8.863
  104   HH21  ARG  12          HH21      ARG  12   7.152   3.673 -12.439
  105   HH22  ARG  12          HH22      ARG  12   8.758   4.221 -12.093
  106    H    VAL  13           HN       VAL  13   1.993   0.919  -5.101
  107    HA   VAL  13           HA       VAL  13   2.751  -1.375  -3.474
  108    HB   VAL  13           HB       VAL  13   2.910   1.486  -2.516
  109   HG11  VAL  13          HG11      VAL  13   1.819   0.110  -0.837
  110   HG12  VAL  13          HG12      VAL  13   3.440   0.566  -0.315
  111   HG13  VAL  13          HG13      VAL  13   3.133  -1.062  -0.923
  112   HG21  VAL  13          HG21      VAL  13   4.888   0.669  -3.718
  113   HG22  VAL  13          HG22      VAL  13   5.000  -0.687  -2.596
  114   HG23  VAL  13          HG23      VAL  13   5.227   0.961  -2.013
  115    H    ASN  14           HN       ASN  14   0.770  -2.297  -3.478
  116    HA   ASN  14           HA       ASN  14  -1.704  -1.121  -3.567
  117    HB2  ASN  14           HB1      ASN  14  -2.419  -3.226  -2.177
  118    HB3  ASN  14           HB2      ASN  14  -1.785  -3.418  -3.808
  119   HD21  ASN  14          HD21      ASN  14   1.101  -4.087  -1.035
  120   HD22  ASN  14          HD22      ASN  14   0.276  -2.574  -1.132
  121    H    ARG  15           HN       ARG  15  -2.026   0.682  -2.353
  122    HA   ARG  15           HA       ARG  15  -1.279   1.094   0.293
  123    HB2  ARG  15           HB2      ARG  15  -2.047   2.872  -1.249
  124    HB3  ARG  15           HB1      ARG  15  -3.686   2.245  -1.132
  125    HG2  ARG  15           HG2      ARG  15  -3.481   4.154   0.296
  126    HG3  ARG  15           HG1      ARG  15  -3.641   2.711   1.301
  127    HD2  ARG  15           HD1      ARG  15  -1.227   2.679   1.652
  128    HD3  ARG  15           HD2      ARG  15  -1.052   4.102   0.628
  129    HE   ARG  15           HE       ARG  15  -2.850   4.595   2.769
  130   HH11  ARG  15          HH11      ARG  15   0.537   4.296   2.010
  131   HH12  ARG  15          HH12      ARG  15   1.050   5.322   3.306
  132   HH21  ARG  15          HH21      ARG  15  -0.496   6.262   4.709
  133   HH22  ARG  15          HH22      ARG  15  -2.184   5.949   4.478
  134    H    HIS  16           HN       HIS  16  -4.567   0.315  -0.866
  135    HA   HIS  16           HA       HIS  16  -5.430  -0.400   1.782
  136    HB2  HIS  16           HB1      HIS  16  -6.810  -0.726  -0.891
  137    HB3  HIS  16           HB2      HIS  16  -7.567  -0.968   0.680
  138    HD1  HIS  16           HD1      HIS  16  -6.746   1.619  -1.785
  139    HD2  HIS  16           HD2      HIS  16  -7.846   1.462   2.220
  140    HE1  HIS  16           HE1      HIS  16  -7.475   3.952  -1.195
  141    HE2  HIS  16           HE2      HIS  16  -8.137   3.834   1.233
  142    H    SER  17           HN       SER  17  -5.224  -2.316   2.719
  143    HA   SER  17           HA       SER  17  -4.504  -4.625   1.057
  144    HB2  SER  17           HB1      SER  17  -2.908  -4.075   2.832
  145    HB3  SER  17           HB2      SER  17  -4.190  -4.192   4.038
  146    HG   SER  17           HG       SER  17  -3.581  -6.201   4.139
  147    H    THR  18           HN       THR  18  -6.343  -4.044   4.062
  148    HA   THR  18           HA       THR  18  -8.345  -5.977   3.092
  149    HB   THR  18           HB       THR  18  -7.082  -7.023   4.885
  150    HG1  THR  18           HG1      THR  18  -9.641  -6.147   5.795
  151   HG21  THR  18          HG21      THR  18  -7.060  -6.078   7.148
  152   HG22  THR  18          HG22      THR  18  -7.892  -4.640   6.555
  153   HG23  THR  18          HG23      THR  18  -6.259  -5.007   5.998
  154    H    ALA  19           HN       ALA  19 -10.504  -5.695   4.043
  155    HA   ALA  19           HA       ALA  19 -11.043  -2.950   4.944
  156    HB1  ALA  19           HB1      ALA  19 -12.953  -2.784   3.447
  157    HB2  ALA  19           HB2      ALA  19 -12.602  -4.385   2.797
  158    HB3  ALA  19           HB3      ALA  19 -11.470  -3.058   2.532
  159    H    ILE  20           HN       ILE  20 -13.276  -2.718   5.840
  160    HA   ILE  20           HA       ILE  20 -14.330  -5.219   6.954
  161    HB   ILE  20           HB       ILE  20 -12.788  -4.070   8.597
  162   HG12  ILE  20          HG12      ILE  20 -15.679  -4.286   9.469
  163   HG13  ILE  20          HG11      ILE  20 -14.601  -5.661   9.248
  164   HG21  ILE  20          HG21      ILE  20 -13.620  -2.091   9.754
  165   HG22  ILE  20          HG22      ILE  20 -15.002  -2.024   8.660
  166   HG23  ILE  20          HG23      ILE  20 -13.372  -1.766   8.038
  167   HD11  ILE  20          HD11      ILE  20 -13.144  -4.794  11.004
  168   HD12  ILE  20          HD12      ILE  20 -14.787  -5.064  11.586
  169   HD13  ILE  20          HD13      ILE  20 -14.235  -3.427  11.229
  170    H    GLY  21           HN       GLY  21 -15.055  -3.011   4.935
  171    HA2  GLY  21           HA1      GLY  21 -17.094  -2.296   4.113
  172    HA3  GLY  21           HA2      GLY  21 -17.869  -3.039   5.505
  173    H    ARG  22           HN       ARG  22 -18.730  -1.725   6.973
  174    HA   ARG  22           HA       ARG  22 -18.041   1.126   6.835
  175    HB2  ARG  22           HB1      ARG  22 -20.467  -0.233   8.023
  176    HB3  ARG  22           HB2      ARG  22 -20.196   1.504   7.978
  177    HG2  ARG  22           HG2      ARG  22 -20.222   1.444   5.534
  178    HG3  ARG  22           HG1      ARG  22 -20.504  -0.297   5.584
  179    HD2  ARG  22           HD2      ARG  22 -22.586   0.914   5.217
  180    HD3  ARG  22           HD1      ARG  22 -22.608   0.072   6.767
  181    HE   ARG  22           HE       ARG  22 -21.705   2.669   7.224
  182   HH11  ARG  22          HH11      ARG  22 -25.664   2.269   6.780
  183   HH12  ARG  22          HH12      ARG  22 -24.603   1.048   6.164
  184   HH21  ARG  22          HH21      ARG  22 -24.808   4.107   7.845
  185   HH22  ARG  22          HH22      ARG  22 -23.096   4.282   8.036
  Start of MODEL    3
    1    H1   ACE   0           HA1      ACE   0   6.429  -0.705  11.893
    2    H2   ACE   0           HA2      ACE   0   4.984  -0.124  12.716
    3    H3   ACE   0           HA3      ACE   0   6.488   0.775  12.900
    4    H    MET   1           HN       MET   1   7.322   1.924  11.111
    5    HA   MET   1           HA       MET   1   5.234   3.032   9.450
    6    HB2  MET   1           HB1      MET   1   8.153   3.695   9.809
    7    HB3  MET   1           HB2      MET   1   7.140   4.503   8.622
    8    HG2  MET   1           HG2      MET   1   7.278   5.870  10.569
    9    HG3  MET   1           HG1      MET   1   5.642   5.223  10.449
   10    HE1  MET   1           HE1      MET   1   8.897   3.361  11.664
   11    HE2  MET   1           HE2      MET   1   8.821   3.650  13.402
   12    HE3  MET   1           HE3      MET   1   9.094   4.996  12.296
   13    H    ASN   2           HN       ASN   2   4.644   1.821   7.747
   14    HA   ASN   2           HA       ASN   2   6.784   0.741   6.033
   15    HB2  ASN   2           HB2      ASN   2   5.041  -0.837   7.169
   16    HB3  ASN   2           HB1      ASN   2   3.952  -0.247   5.918
   17   HD21  ASN   2          HD21      ASN   2   6.277   0.045   4.038
   18   HD22  ASN   2          HD22      ASN   2   6.592  -1.560   3.490
   19    H    TRP   3           HN       TRP   3   5.381   3.444   6.111
   20    HA   TRP   3           HA       TRP   3   3.777   3.617   3.779
   21    HB2  TRP   3           HB1      TRP   3   4.206   6.044   3.892
   22    HB3  TRP   3           HB2      TRP   3   3.662   5.381   5.434
   23    HD1  TRP   3           HD1      TRP   3   5.358   5.439   7.433
   24    HE1  TRP   3           HE1      TRP   3   7.555   6.719   7.837
   25    HE3  TRP   3           HE3      TRP   3   6.369   6.788   2.638
   26    HZ2  TRP   3           HZ2      TRP   3   9.457   8.114   6.291
   27    HZ3  TRP   3           HZ3      TRP   3   8.402   8.087   2.169
   28    HH2  TRP   3           HH2      TRP   3   9.922   8.732   3.966
   29    H    THR   4           HN       THR   4   7.105   3.318   4.330
   30    HA   THR   4           HA       THR   4   8.438   4.706   2.483
   31    HB   THR   4           HB       THR   4   8.841   1.737   2.894
   32    HG1  THR   4           HG1      THR   4  10.010   3.937   4.283
   33   HG21  THR   4          HG21      THR   4  10.093   2.623   0.986
   34   HG22  THR   4          HG22      THR   4  11.177   2.208   2.314
   35   HG23  THR   4          HG23      THR   4  10.762   3.895   2.009
   36    H    GLY   5           HN       GLY   5   7.040   5.203   0.737
   37    HA2  GLY   5           HA2      GLY   5   7.473   3.974  -1.648
   38    HA3  GLY   5           HA1      GLY   5   6.072   3.133  -1.000
   39    H    LEU   6           HN       LEU   6   5.297   5.759   0.366
   40    HA   LEU   6           HA       LEU   6   3.422   6.618  -1.542
   41    HB2  LEU   6           HB1      LEU   6   3.148   8.584   0.056
   42    HB3  LEU   6           HB2      LEU   6   2.837   6.977   0.684
   43    HG   LEU   6           HG       LEU   6   5.181   7.002   1.614
   44   HD11  LEU   6          HD11      LEU   6   6.138   8.752   0.243
   45   HD12  LEU   6          HD12      LEU   6   6.234   9.191   1.950
   46   HD13  LEU   6          HD13      LEU   6   5.006   9.926   0.916
   47   HD21  LEU   6          HD21      LEU   6   3.209   7.397   3.005
   48   HD22  LEU   6          HD22      LEU   6   3.312   9.121   2.651
   49   HD23  LEU   6          HD23      LEU   6   4.605   8.327   3.555
   50    H    TYR   7           HN       TYR   7   6.482   6.988  -2.059
   51    HA   TYR   7           HA       TYR   7   6.168   9.606  -3.287
   52    HB2  TYR   7           HB2      TYR   7   8.548  10.124  -2.685
   53    HB3  TYR   7           HB1      TYR   7   7.445  10.042  -1.313
   54    HD1  TYR   7           HD1      TYR   7   7.184   7.426  -0.498
   55    HD2  TYR   7           HD2      TYR   7  10.635   9.228  -2.221
   56    HE1  TYR   7           HE1      TYR   7   8.562   5.717   0.495
   57    HE2  TYR   7           HE2      TYR   7  12.053   7.505  -1.180
   58    HH   TYR   7           HH       TYR   7  10.776   4.668   0.182
   59    H    THR   8           HN       THR   8   7.792   6.498  -3.282
   60    HA   THR   8           HA       THR   8   8.526   6.942  -6.107
   61    HB   THR   8           HB       THR   8  10.383   5.335  -5.779
   62    HG1  THR   8           HG1      THR   8   9.307   4.447  -3.801
   63   HG21  THR   8          HG21      THR   8  11.819   6.847  -4.371
   64   HG22  THR   8          HG22      THR   8  10.370   7.797  -4.038
   65   HG23  THR   8          HG23      THR   8  10.966   7.649  -5.690
   66    H    LEU   9           HN       LEU   9   6.210   5.629  -4.541
   67    HA   LEU   9           HA       LEU   9   6.066   3.279  -6.244
   68    HB2  LEU   9           HB2      LEU   9   5.740   3.238  -3.261
   69    HB3  LEU   9           HB1      LEU   9   5.167   1.949  -4.306
   70    HG   LEU   9           HG       LEU   9   8.048   2.833  -4.082
   71   HD11  LEU   9          HD21      LEU   9   6.650   0.440  -2.907
   72   HD12  LEU   9          HD22      LEU   9   7.292   1.819  -2.014
   73   HD13  LEU   9          HD23      LEU   9   8.388   0.738  -2.873
   74   HD21  LEU   9          HD11      LEU   9   8.505   0.740  -5.295
   75   HD22  LEU   9          HD12      LEU   9   7.561   1.884  -6.248
   76   HD23  LEU   9          HD13      LEU   9   6.770   0.499  -5.495
   77    H    LEU  10           HN       LEU  10   4.272   4.800  -3.642
   78    HA   LEU  10           HA       LEU  10   2.050   5.225  -3.362
   79    HB2  LEU  10           HB2      LEU  10   2.481   6.277  -6.154
   80    HB3  LEU  10           HB1      LEU  10   1.123   6.687  -5.123
   81    HG   LEU  10           HG       LEU  10   2.818   7.587  -3.462
   82   HD11  LEU  10          HD21      LEU  10   4.903   6.835  -3.957
   83   HD12  LEU  10          HD22      LEU  10   4.939   8.351  -4.859
   84   HD13  LEU  10          HD23      LEU  10   4.610   6.836  -5.698
   85   HD21  LEU  10          HD11      LEU  10   1.453   9.041  -4.861
   86   HD22  LEU  10          HD12      LEU  10   2.629   8.902  -6.169
   87   HD23  LEU  10          HD13      LEU  10   3.075   9.704  -4.663
   88    H    SER  11           HN       SER  11   1.668   4.773  -6.832
   89    HA   SER  11           HA       SER  11  -0.573   3.057  -6.465
   90    HB2  SER  11           HB2      SER  11  -0.556   2.872  -8.929
   91    HB3  SER  11           HB1      SER  11  -0.416   4.549  -8.401
   92    HG   SER  11           HG       SER  11   1.076   3.836 -10.101
   93    H    ARG  12           HN       ARG  12   2.581   2.419  -6.011
   94    HA   ARG  12           HA       ARG  12   2.440  -0.317  -7.071
   95    HB2  ARG  12           HB2      ARG  12   4.875   1.138  -6.034
   96    HB3  ARG  12           HB1      ARG  12   4.847  -0.391  -6.900
   97    HG2  ARG  12           HG2      ARG  12   4.138   0.701  -8.918
   98    HG3  ARG  12           HG1      ARG  12   3.974   2.241  -8.071
   99    HD2  ARG  12           HD1      ARG  12   6.047   2.191  -9.330
  100    HD3  ARG  12           HD2      ARG  12   6.385   2.226  -7.600
  101    HE   ARG  12           HE       ARG  12   6.327  -0.442  -8.497
  102   HH11  ARG  12          HH11      ARG  12   8.277   2.438  -8.701
  103   HH12  ARG  12          HH12      ARG  12   9.761   1.573  -8.916
  104   HH21  ARG  12          HH21      ARG  12   8.278  -1.589  -8.779
  105   HH22  ARG  12          HH22      ARG  12   9.763  -0.716  -8.961
  106    H    VAL  13           HN       VAL  13   1.461   1.082  -4.452
  107    HA   VAL  13           HA       VAL  13   2.664  -0.822  -2.561
  108    HB   VAL  13           HB       VAL  13   1.053   1.631  -1.866
  109   HG11  VAL  13          HG11      VAL  13   2.908  -0.107  -0.248
  110   HG12  VAL  13          HG12      VAL  13   1.150  -0.050  -0.123
  111   HG13  VAL  13          HG13      VAL  13   2.112   1.357   0.331
  112   HG21  VAL  13          HG21      VAL  13   3.188   2.742  -1.396
  113   HG22  VAL  13          HG22      VAL  13   3.035   2.320  -3.101
  114   HG23  VAL  13          HG23      VAL  13   4.052   1.346  -2.040
  115    H    ASN  14           HN       ASN  14   1.129  -2.345  -3.758
  116    HA   ASN  14           HA       ASN  14  -0.772  -3.592  -3.849
  117    HB2  ASN  14           HB1      ASN  14  -0.805  -2.673  -0.975
  118    HB3  ASN  14           HB2      ASN  14  -1.947  -3.852  -1.612
  119   HD21  ASN  14          HD21      ASN  14   1.373  -3.642  -2.676
  120   HD22  ASN  14          HD22      ASN  14   1.894  -5.128  -1.970
  121    H    ARG  15           HN       ARG  15  -2.296  -1.534  -1.472
  122    HA   ARG  15           HA       ARG  15  -3.598   0.254  -3.201
  123    HB2  ARG  15           HB2      ARG  15  -5.892  -0.738  -3.124
  124    HB3  ARG  15           HB1      ARG  15  -4.757  -1.638  -4.121
  125    HG2  ARG  15           HG2      ARG  15  -4.443  -3.245  -2.294
  126    HG3  ARG  15           HG1      ARG  15  -5.615  -2.351  -1.323
  127    HD2  ARG  15           HD1      ARG  15  -6.652  -4.286  -2.379
  128    HD3  ARG  15           HD2      ARG  15  -7.339  -2.784  -2.996
  129    HE   ARG  15           HE       ARG  15  -5.292  -3.483  -4.721
  130   HH11  ARG  15          HH11      ARG  15  -8.322  -4.833  -3.650
  131   HH12  ARG  15          HH12      ARG  15  -8.620  -5.674  -5.135
  132   HH21  ARG  15          HH21      ARG  15  -7.115  -5.535  -6.856
  133   HH22  ARG  15          HH22      ARG  15  -5.676  -4.588  -6.678
  134    H    HIS  16           HN       HIS  16  -3.986   1.907  -1.897
  135    HA   HIS  16           HA       HIS  16  -5.260   1.435   0.690
  136    HB2  HIS  16           HB2      HIS  16  -2.730   3.061   0.355
  137    HB3  HIS  16           HB1      HIS  16  -3.680   2.949   1.834
  138    HD1  HIS  16           HD1      HIS  16  -3.864   0.394   2.814
  139    HD2  HIS  16           HD2      HIS  16  -0.762   1.206   0.172
  140    HE1  HIS  16           HE1      HIS  16  -2.194  -1.456   3.150
  141    HE2  HIS  16           HE2      HIS  16  -0.324  -0.945   1.539
  142    H    SER  17           HN       SER  17  -4.637   3.396  -2.057
  143    HA   SER  17           HA       SER  17  -5.675   5.856  -1.149
  144    HB2  SER  17           HB1      SER  17  -4.341   5.685  -3.196
  145    HB3  SER  17           HB2      SER  17  -5.604   4.715  -3.954
  146    HG   SER  17           HG       SER  17  -6.956   6.483  -3.929
  147    H    THR  18           HN       THR  18  -7.713   6.783  -1.370
  148    HA   THR  18           HA       THR  18  -9.912   4.944  -2.037
  149    HB   THR  18           HB       THR  18  -9.823   5.063   0.384
  150    HG1  THR  18           HG1      THR  18 -11.906   5.767  -1.087
  151   HG21  THR  18          HG21      THR  18 -10.034   8.057   0.039
  152   HG22  THR  18          HG22      THR  18  -8.617   7.178   0.618
  153   HG23  THR  18          HG23      THR  18 -10.099   7.189   1.573
  154    H    ALA  19           HN       ALA  19  -8.596   8.152  -2.058
  155    HA   ALA  19           HA       ALA  19 -11.009   9.260  -3.281
  156    HB1  ALA  19           HB1      ALA  19  -9.913  11.424  -3.055
  157    HB2  ALA  19           HB2      ALA  19  -8.444  10.632  -2.484
  158    HB3  ALA  19           HB3      ALA  19  -9.918  10.560  -1.517
  159    H    ILE  20           HN       ILE  20 -11.236   9.201  -5.409
  160    HA   ILE  20           HA       ILE  20  -9.040   8.560  -7.144
  161    HB   ILE  20           HB       ILE  20 -11.261   7.678  -7.618
  162   HG12  ILE  20          HG11      ILE  20 -10.419   9.659  -9.746
  163   HG13  ILE  20          HG12      ILE  20  -9.657   8.094  -9.478
  164   HG21  ILE  20          HG21      ILE  20 -12.063  10.549  -8.066
  165   HG22  ILE  20          HG22      ILE  20 -12.595   9.513  -6.741
  166   HG23  ILE  20          HG23      ILE  20 -13.066   9.138  -8.399
  167   HD11  ILE  20          HD11      ILE  20 -11.200   8.001 -11.338
  168   HD12  ILE  20          HD12      ILE  20 -12.514   8.553 -10.300
  169   HD13  ILE  20          HD13      ILE  20 -11.765   6.983 -10.014
  170    H    GLY  21           HN       GLY  21  -7.966   9.860  -8.565
  171    HA2  GLY  21           HA1      GLY  21  -8.807  12.642  -8.875
  172    HA3  GLY  21           HA2      GLY  21  -7.234  12.361  -8.144
  173    H    ARG  22           HN       ARG  22  -6.279  13.505  -9.901
  174    HA   ARG  22           HA       ARG  22  -6.463  12.289 -12.542
  175    HB2  ARG  22           HB1      ARG  22  -6.532  14.741 -12.351
  176    HB3  ARG  22           HB2      ARG  22  -4.938  14.729 -11.607
  177    HG2  ARG  22           HG1      ARG  22  -3.979  13.827 -13.660
  178    HG3  ARG  22           HG2      ARG  22  -5.577  13.821 -14.407
  179    HD2  ARG  22           HD1      ARG  22  -4.310  15.773 -15.110
  180    HD3  ARG  22           HD2      ARG  22  -5.706  16.251 -14.145
  181    HE   ARG  22           HE       ARG  22  -3.569  16.028 -12.398
  182   HH11  ARG  22          HH11      ARG  22  -3.516  19.323 -14.674
  183   HH12  ARG  22          HH12      ARG  22  -4.433  17.942 -15.177
  184   HH21  ARG  22          HH21      ARG  22  -2.336  19.264 -12.711
  185   HH22  ARG  22          HH22      ARG  22  -2.359  17.840 -11.726
  Start of MODEL    4
    1    H1   ACE   0           HA1      ACE   0   4.440  -0.158  12.364
    2    H2   ACE   0           HA2      ACE   0   2.899  -0.926  12.734
    3    H3   ACE   0           HA3      ACE   0   3.191   0.718  13.297
    4    H    MET   1           HN       MET   1   3.590   2.354  11.610
    5    HA   MET   1           HA       MET   1   1.508   2.280   9.679
    6    HB2  MET   1           HB1      MET   1   2.454   4.336  10.841
    7    HB3  MET   1           HB2      MET   1   3.815   4.228   9.731
    8    HG2  MET   1           HG1      MET   1   2.221   5.840   8.929
    9    HG3  MET   1           HG2      MET   1   2.276   4.456   7.840
   10    HE1  MET   1           HE1      MET   1   0.019   5.222   6.706
   11    HE2  MET   1           HE2      MET   1  -0.075   6.616   7.780
   12    HE3  MET   1           HE3      MET   1  -1.468   5.552   7.594
   13    H    ASN   2           HN       ASN   2   1.648   0.919   7.983
   14    HA   ASN   2           HA       ASN   2   4.222   0.519   6.677
   15    HB2  ASN   2           HB2      ASN   2   3.128  -1.535   6.950
   16    HB3  ASN   2           HB1      ASN   2   1.566  -0.872   6.481
   17   HD21  ASN   2          HD21      ASN   2   4.073  -1.099   3.281
   18   HD22  ASN   2          HD22      ASN   2   4.476  -0.165   4.678
   19    H    TRP   3           HN       TRP   3   4.821   1.516   4.937
   20    HA   TRP   3           HA       TRP   3   3.068   2.199   2.810
   21    HB2  TRP   3           HB1      TRP   3   3.585   4.658   2.873
   22    HB3  TRP   3           HB2      TRP   3   2.454   4.092   4.095
   23    HD1  TRP   3           HD1      TRP   3   3.500   3.852   6.642
   24    HE1  TRP   3           HE1      TRP   3   5.265   5.317   7.806
   25    HE3  TRP   3           HE3      TRP   3   5.630   5.898   2.522
   26    HZ2  TRP   3           HZ2      TRP   3   7.302   7.116   7.050
   27    HZ3  TRP   3           HZ3      TRP   3   7.494   7.492   2.804
   28    HH2  TRP   3           HH2      TRP   3   8.316   8.083   5.028
   29    H    THR   4           HN       THR   4   6.074   3.591   4.071
   30    HA   THR   4           HA       THR   4   7.949   4.134   2.877
   31    HB   THR   4           HB       THR   4   8.269   2.000   4.190
   32    HG1  THR   4           HG1      THR   4   9.898   3.282   2.939
   33   HG21  THR   4          HG21      THR   4   8.587  -0.069   2.954
   34   HG22  THR   4          HG22      THR   4   8.147   0.736   1.448
   35   HG23  THR   4          HG23      THR   4   6.943   0.523   2.719
   36    H    GLY   5           HN       GLY   5   5.650   4.097   1.089
   37    HA2  GLY   5           HA1      GLY   5   7.058   3.886  -1.402
   38    HA3  GLY   5           HA2      GLY   5   5.854   2.623  -1.192
   39    H    LEU   6           HN       LEU   6   5.398   5.848   0.099
   40    HA   LEU   6           HA       LEU   6   3.245   6.242  -1.872
   41    HB2  LEU   6           HB2      LEU   6   2.424   7.918  -0.137
   42    HB3  LEU   6           HB1      LEU   6   2.237   6.210   0.198
   43    HG   LEU   6           HG       LEU   6   4.394   6.386   1.540
   44   HD11  LEU   6          HD11      LEU   6   3.776   9.323   1.293
   45   HD12  LEU   6          HD12      LEU   6   5.205   8.496   0.673
   46   HD13  LEU   6          HD13      LEU   6   4.939   8.612   2.413
   47   HD21  LEU   6          HD21      LEU   6   3.255   7.227   3.510
   48   HD22  LEU   6          HD22      LEU   6   2.201   6.172   2.566
   49   HD23  LEU   6          HD23      LEU   6   1.991   7.921   2.492
   50    H    TYR   7           HN       TYR   7   6.107   6.953  -2.128
   51    HA   TYR   7           HA       TYR   7   5.728   9.775  -2.783
   52    HB2  TYR   7           HB2      TYR   7   8.235  10.019  -2.287
   53    HB3  TYR   7           HB1      TYR   7   7.138   9.901  -0.915
   54    HD1  TYR   7           HD1      TYR   7   6.638   7.304  -0.322
   55    HD2  TYR   7           HD2      TYR   7  10.218   8.835  -2.013
   56    HE1  TYR   7           HE1      TYR   7   7.831   5.383   0.520
   57    HE2  TYR   7           HE2      TYR   7  11.459   6.888  -1.151
   58    HH   TYR   7           HH       TYR   7  11.233   5.203   0.629
   59    H    THR   8           HN       THR   8   7.323   6.742  -3.508
   60    HA   THR   8           HA       THR   8   7.588   7.589  -6.295
   61    HB   THR   8           HB       THR   8   9.845   6.590  -6.457
   62    HG1  THR   8           HG1      THR   8   9.311   5.505  -4.203
   63   HG21  THR   8          HG21      THR   8   9.625   8.792  -4.399
   64   HG22  THR   8          HG22      THR   8   9.629   9.008  -6.150
   65   HG23  THR   8          HG23      THR   8  11.067   8.396  -5.333
   66    H    LEU   9           HN       LEU   9   6.193   5.563  -4.336
   67    HA   LEU   9           HA       LEU   9   6.236   3.366  -6.265
   68    HB2  LEU   9           HB2      LEU   9   6.533   2.977  -3.292
   69    HB3  LEU   9           HB1      LEU   9   6.343   1.697  -4.472
   70    HG   LEU   9           HG       LEU   9   8.674   3.614  -4.427
   71   HD11  LEU   9          HD21      LEU   9   8.653   2.263  -2.408
   72   HD12  LEU   9          HD22      LEU   9   9.953   1.759  -3.488
   73   HD13  LEU   9          HD23      LEU   9   8.477   0.801  -3.375
   74   HD21  LEU   9          HD11      LEU   9   9.705   1.976  -5.924
   75   HD22  LEU   9          HD12      LEU   9   8.229   2.648  -6.615
   76   HD23  LEU   9          HD13      LEU   9   8.217   1.030  -5.912
   77    H    LEU  10           HN       LEU  10   4.422   5.584  -5.253
   78    HA   LEU  10           HA       LEU  10   2.273   4.899  -3.802
   79    HB2  LEU  10           HB1      LEU  10   1.437   6.022  -6.372
   80    HB3  LEU  10           HB2      LEU  10   1.238   6.654  -4.750
   81    HG   LEU  10           HG       LEU  10   3.741   6.883  -6.427
   82   HD11  LEU  10          HD11      LEU  10   1.686   8.948  -5.653
   83   HD12  LEU  10          HD12      LEU  10   1.920   8.269  -7.264
   84   HD13  LEU  10          HD13      LEU  10   3.183   9.257  -6.532
   85   HD21  LEU  10          HD21      LEU  10   4.572   8.332  -4.678
   86   HD22  LEU  10          HD22      LEU  10   4.208   6.738  -4.016
   87   HD23  LEU  10          HD23      LEU  10   3.100   8.084  -3.740
   88    H    SER  11           HN       SER  11   1.904   4.556  -7.315
   89    HA   SER  11           HA       SER  11  -0.119   2.587  -7.067
   90    HB2  SER  11           HB2      SER  11   0.087   2.366  -9.520
   91    HB3  SER  11           HB1      SER  11   0.013   4.057  -9.026
   92    HG   SER  11           HG       SER  11   1.862   2.913 -10.485
   93    H    ARG  12           HN       ARG  12   3.165   2.401  -6.654
   94    HA   ARG  12           HA       ARG  12   3.422  -0.353  -7.583
   95    HB2  ARG  12           HB2      ARG  12   5.433   1.586  -6.431
   96    HB3  ARG  12           HB1      ARG  12   5.819  -0.051  -6.948
   97    HG2  ARG  12           HG1      ARG  12   5.261   0.481  -9.225
   98    HG3  ARG  12           HG2      ARG  12   4.691   2.082  -8.748
   99    HD2  ARG  12           HD2      ARG  12   6.947   2.669  -8.012
  100    HD3  ARG  12           HD1      ARG  12   7.518   1.068  -8.479
  101    HE   ARG  12           HE       ARG  12   6.332   2.209 -10.720
  102   HH11  ARG  12          HH11      ARG  12  10.014   3.539  -9.876
  103   HH12  ARG  12          HH12      ARG  12   9.065   2.791  -8.636
  104   HH21  ARG  12          HH21      ARG  12   9.169   3.766 -11.992
  105   HH22  ARG  12          HH22      ARG  12   7.578   3.190 -12.358
  106    H    VAL  13           HN       VAL  13   2.086   0.954  -5.037
  107    HA   VAL  13           HA       VAL  13   2.783  -1.251  -3.272
  108    HB   VAL  13           HB       VAL  13   2.907   1.650  -2.432
  109   HG11  VAL  13          HG11      VAL  13   1.786   0.320  -0.734
  110   HG12  VAL  13          HG12      VAL  13   3.387   0.820  -0.187
  111   HG13  VAL  13          HG13      VAL  13   3.120  -0.833  -0.741
  112   HG21  VAL  13          HG21      VAL  13   5.219   1.127  -1.823
  113   HG22  VAL  13          HG22      VAL  13   4.927   0.855  -3.540
  114   HG23  VAL  13          HG23      VAL  13   5.009  -0.514  -2.432
  115    H    ASN  14           HN       ASN  14   0.793  -2.162  -3.310
  116    HA   ASN  14           HA       ASN  14  -1.669  -0.971  -3.530
  117    HB2  ASN  14           HB1      ASN  14  -0.864  -3.466  -2.033
  118    HB3  ASN  14           HB2      ASN  14  -2.544  -2.984  -2.246
  119   HD21  ASN  14          HD21      ASN  14  -0.681  -3.591  -5.807
  120   HD22  ASN  14          HD22      ASN  14  -0.073  -2.454  -4.659
  121    H    ARG  15           HN       ARG  15  -2.164   0.819  -2.402
  122    HA   ARG  15           HA       ARG  15  -1.411   1.457   0.189
  123    HB2  ARG  15           HB2      ARG  15  -2.357   3.059  -1.439
  124    HB3  ARG  15           HB1      ARG  15  -3.936   2.309  -1.242
  125    HG2  ARG  15           HG2      ARG  15  -3.983   2.976   1.094
  126    HG3  ARG  15           HG1      ARG  15  -2.376   3.688   0.934
  127    HD2  ARG  15           HD2      ARG  15  -3.246   5.250  -0.745
  128    HD3  ARG  15           HD1      ARG  15  -4.853   4.550  -0.556
  129    HE   ARG  15           HE       ARG  15  -3.925   5.395   1.953
  130   HH11  ARG  15          HH11      ARG  15  -4.981   6.715  -1.093
  131   HH12  ARG  15          HH12      ARG  15  -5.571   8.187  -0.398
  132   HH21  ARG  15          HH21      ARG  15  -4.700   7.330   2.878
  133   HH22  ARG  15          HH22      ARG  15  -5.412   8.537   1.859
  134    H    HIS  16           HN       HIS  16  -4.713   0.483  -0.758
  135    HA   HIS  16           HA       HIS  16  -5.004  -0.746   1.904
  136    HB2  HIS  16           HB1      HIS  16  -7.107   0.482   0.109
  137    HB3  HIS  16           HB2      HIS  16  -7.453  -0.371   1.611
  138    HD1  HIS  16           HD1      HIS  16  -6.757   2.928   0.312
  139    HD2  HIS  16           HD2      HIS  16  -6.215   0.969   3.937
  140    HE1  HIS  16           HE1      HIS  16  -6.410   4.747   2.014
  141    HE2  HIS  16           HE2      HIS  16  -6.085   3.539   4.201
  142    H    SER  17           HN       SER  17  -4.625  -1.446  -1.307
  143    HA   SER  17           HA       SER  17  -4.870  -3.310  -2.579
  144    HB2  SER  17           HB1      SER  17  -5.336  -4.640   0.102
  145    HB3  SER  17           HB2      SER  17  -4.998  -5.484  -1.410
  146    HG   SER  17           HG       SER  17  -3.218  -3.489  -0.638
  147    H    THR  18           HN       THR  18  -6.642  -2.950  -3.802
  148    HA   THR  18           HA       THR  18  -9.212  -3.938  -2.749
  149    HB   THR  18           HB       THR  18  -9.358  -1.528  -2.938
  150    HG1  THR  18           HG1      THR  18 -10.695  -2.822  -5.102
  151   HG21  THR  18          HG21      THR  18  -9.063  -0.390  -5.093
  152   HG22  THR  18          HG22      THR  18  -8.541  -1.909  -5.820
  153   HG23  THR  18          HG23      THR  18  -7.568  -1.156  -4.557
  154    H    ALA  19           HN       ALA  19  -6.973  -3.776  -5.407
  155    HA   ALA  19           HA       ALA  19  -8.196  -6.081  -6.631
  156    HB1  ALA  19           HB1      ALA  19  -9.539  -4.273  -7.592
  157    HB2  ALA  19           HB2      ALA  19  -8.553  -5.070  -8.819
  158    HB3  ALA  19           HB3      ALA  19  -8.069  -3.497  -8.183
  159    H    ILE  20           HN       ILE  20  -6.544  -7.356  -7.106
  160    HA   ILE  20           HA       ILE  20  -3.905  -6.207  -7.568
  161    HB   ILE  20           HB       ILE  20  -3.102  -8.546  -7.453
  162   HG12  ILE  20          HG12      ILE  20  -5.983  -9.205  -6.797
  163   HG13  ILE  20          HG11      ILE  20  -5.186  -9.599  -8.316
  164   HG21  ILE  20          HG21      ILE  20  -4.848  -7.685  -5.149
  165   HG22  ILE  20          HG22      ILE  20  -3.187  -7.170  -5.447
  166   HG23  ILE  20          HG23      ILE  20  -3.532  -8.856  -5.061
  167   HD11  ILE  20          HD11      ILE  20  -5.282 -11.526  -6.855
  168   HD12  ILE  20          HD12      ILE  20  -4.420 -10.636  -5.599
  169   HD13  ILE  20          HD13      ILE  20  -3.611 -11.025  -7.116
  170    H    GLY  21           HN       GLY  21  -2.550  -6.990  -9.329
  171    HA2  GLY  21           HA2      GLY  21  -2.251  -7.971 -11.467
  172    HA3  GLY  21           HA1      GLY  21  -3.997  -8.059 -11.643
  173    H    ARG  22           HN       ARG  22  -1.553  -6.769 -13.116
  174    HA   ARG  22           HA       ARG  22  -2.329  -3.992 -13.234
  175    HB2  ARG  22           HB1      ARG  22  -0.317  -5.619 -14.790
  176    HB3  ARG  22           HB2      ARG  22  -0.606  -3.911 -15.084
  177    HG2  ARG  22           HG2      ARG  22   1.291  -4.019 -13.703
  178    HG3  ARG  22           HG1      ARG  22  -0.039  -3.526 -12.652
  179    HD2  ARG  22           HD1      ARG  22  -0.267  -5.801 -11.835
  180    HD3  ARG  22           HD2      ARG  22   1.005  -6.342 -12.930
  181    HE   ARG  22           HE       ARG  22   1.993  -4.280 -11.288
  182   HH11  ARG  22          HH11      ARG  22   2.048  -7.997  -9.801
  183   HH12  ARG  22          HH12      ARG  22   1.001  -7.617 -11.128
  184   HH21  ARG  22          HH21      ARG  22   3.395  -6.381  -8.899
  185   HH22  ARG  22          HH22      ARG  22   3.372  -4.773  -9.541
  Start of MODEL    5
    1    H1   ACE   0           HA1      ACE   0   1.947   0.471  12.531
    2    H2   ACE   0           HA2      ACE   0   2.271  -1.040  11.684
    3    H3   ACE   0           HA3      ACE   0   0.622  -0.419  11.720
    4    H    MET   1           HN       MET   1   3.741   1.152  11.072
    5    HA   MET   1           HA       MET   1   2.567   2.335   8.671
    6    HB2  MET   1           HB2      MET   1   5.086   2.939  10.220
    7    HB3  MET   1           HB1      MET   1   4.704   3.702   8.683
    8    HG2  MET   1           HG1      MET   1   4.079   5.176  10.450
    9    HG3  MET   1           HG2      MET   1   2.615   4.569   9.680
   10    HE1  MET   1           HE1      MET   1   4.184   3.073  13.755
   11    HE2  MET   1           HE2      MET   1   4.974   4.331  12.804
   12    HE3  MET   1           HE3      MET   1   4.953   2.665  12.222
   13    H    ASN   2           HN       ASN   2   2.732   1.079   6.922
   14    HA   ASN   2           HA       ASN   2   5.329  -0.213   6.380
   15    HB2  ASN   2           HB2      ASN   2   4.262  -2.035   5.392
   16    HB3  ASN   2           HB1      ASN   2   3.197  -1.668   6.746
   17   HD21  ASN   2          HD21      ASN   2   1.981  -0.946   2.905
   18   HD22  ASN   2          HD22      ASN   2   3.660  -1.094   3.282
   19    H    TRP   3           HN       TRP   3   3.347   2.273   5.501
   20    HA   TRP   3           HA       TRP   3   2.947   2.391   2.874
   21    HB2  TRP   3           HB1      TRP   3   3.557   4.809   2.935
   22    HB3  TRP   3           HB2      TRP   3   2.447   4.295   4.198
   23    HD1  TRP   3           HD1      TRP   3   3.558   4.055   6.715
   24    HE1  TRP   3           HE1      TRP   3   5.439   5.443   7.796
   25    HE3  TRP   3           HE3      TRP   3   5.642   5.903   2.499
   26    HZ2  TRP   3           HZ2      TRP   3   7.551   7.121   6.929
   27    HZ3  TRP   3           HZ3      TRP   3   7.601   7.398   2.673
   28    HH2  TRP   3           HH2      TRP   3   8.537   7.988   4.851
   29    H    THR   4           HN       THR   4   6.043   3.632   4.089
   30    HA   THR   4           HA       THR   4   7.895   4.116   2.771
   31    HB   THR   4           HB       THR   4   7.958   1.100   2.705
   32    HG1  THR   4           HG1      THR   4   8.052   2.888   4.873
   33   HG21  THR   4          HG21      THR   4  10.358   1.446   3.125
   34   HG22  THR   4          HG22      THR   4  10.107   3.192   3.090
   35   HG23  THR   4          HG23      THR   4   9.840   2.233   1.634
   36    H    GLY   5           HN       GLY   5   5.681   4.255   1.054
   37    HA2  GLY   5           HA2      GLY   5   6.908   3.735  -1.467
   38    HA3  GLY   5           HA1      GLY   5   5.620   2.585  -1.132
   39    H    LEU   6           HN       LEU   6   5.413   5.853   0.059
   40    HA   LEU   6           HA       LEU   6   3.264   6.360  -1.892
   41    HB2  LEU   6           HB2      LEU   6   2.543   8.074  -0.159
   42    HB3  LEU   6           HB1      LEU   6   2.283   6.378   0.197
   43    HG   LEU   6           HG       LEU   6   4.473   6.478   1.502
   44   HD11  LEU   6          HD11      LEU   6   5.344   8.555   0.612
   45   HD12  LEU   6          HD12      LEU   6   5.112   8.686   2.356
   46   HD13  LEU   6          HD13      LEU   6   3.956   9.434   1.252
   47   HD21  LEU   6          HD21      LEU   6   2.150   8.110   2.493
   48   HD22  LEU   6          HD22      LEU   6   3.398   7.353   3.487
   49   HD23  LEU   6          HD23      LEU   6   2.281   6.353   2.557
   50    H    TYR   7           HN       TYR   7   6.174   6.919  -2.151
   51    HA   TYR   7           HA       TYR   7   5.934   9.761  -2.797
   52    HB2  TYR   7           HB2      TYR   7   8.455   9.869  -2.322
   53    HB3  TYR   7           HB1      TYR   7   7.366   9.797  -0.940
   54    HD1  TYR   7           HD1      TYR   7   6.739   7.228  -0.355
   55    HD2  TYR   7           HD2      TYR   7  10.373   8.578  -2.086
   56    HE1  TYR   7           HE1      TYR   7   7.842   5.240   0.460
   57    HE2  TYR   7           HE2      TYR   7  11.520   6.564  -1.252
   58    HH   TYR   7           HH       TYR   7  11.228   4.881   0.524
   59    H    THR   8           HN       THR   8   7.482   6.687  -3.523
   60    HA   THR   8           HA       THR   8   7.709   7.520  -6.323
   61    HB   THR   8           HB       THR   8   9.931   6.476  -6.518
   62    HG1  THR   8           HG1      THR   8   9.367   5.379  -4.254
   63   HG21  THR   8          HG21      THR   8   9.802   8.621  -4.394
   64   HG22  THR   8          HG22      THR   8   9.795   8.890  -6.138
   65   HG23  THR   8          HG23      THR   8  11.222   8.208  -5.355
   66    H    LEU   9           HN       LEU   9   6.253   5.550  -4.365
   67    HA   LEU   9           HA       LEU   9   6.215   3.348  -6.284
   68    HB2  LEU   9           HB1      LEU   9   6.540   2.960  -3.314
   69    HB3  LEU   9           HB2      LEU   9   6.285   1.681  -4.484
   70    HG   LEU   9           HG       LEU   9   8.681   3.516  -4.496
   71   HD11  LEU   9          HD21      LEU   9   8.659   2.193  -2.461
   72   HD12  LEU   9          HD22      LEU   9   9.914   1.625  -3.563
   73   HD13  LEU   9          HD23      LEU   9   8.406   0.725  -3.405
   74   HD21  LEU   9          HD11      LEU   9   8.089   0.942  -5.951
   75   HD22  LEU   9          HD12      LEU   9   9.626   1.806  -5.983
   76   HD23  LEU   9          HD13      LEU   9   8.181   2.552  -6.664
   77    H    LEU  10           HN       LEU  10   4.477   5.621  -5.252
   78    HA   LEU  10           HA       LEU  10   2.325   5.011  -3.782
   79    HB2  LEU  10           HB1      LEU  10   1.489   6.131  -6.353
   80    HB3  LEU  10           HB2      LEU  10   1.330   6.785  -4.736
   81    HG   LEU  10           HG       LEU  10   3.818   6.923  -6.444
   82   HD11  LEU  10          HD11      LEU  10   3.326   9.315  -6.569
   83   HD12  LEU  10          HD12      LEU  10   1.823   9.050  -5.685
   84   HD13  LEU  10          HD13      LEU  10   2.037   8.349  -7.289
   85   HD21  LEU  10          HD21      LEU  10   4.715   8.362  -4.727
   86   HD22  LEU  10          HD22      LEU  10   4.295   6.796  -4.030
   87   HD23  LEU  10          HD23      LEU  10   3.243   8.189  -3.775
   88    H    SER  11           HN       SER  11   1.887   4.651  -7.283
   89    HA   SER  11           HA       SER  11  -0.164   2.712  -6.963
   90    HB2  SER  11           HB2      SER  11  -0.061   2.510  -9.424
   91    HB3  SER  11           HB1      SER  11  -0.103   4.196  -8.912
   92    HG   SER  11           HG       SER  11   2.062   4.375  -9.343
   93    H    ARG  12           HN       ARG  12   3.122   2.487  -6.661
   94    HA   ARG  12           HA       ARG  12   3.331  -0.250  -7.648
   95    HB2  ARG  12           HB1      ARG  12   5.398   1.620  -6.479
   96    HB3  ARG  12           HB2      ARG  12   5.739   0.007  -7.095
   97    HG2  ARG  12           HG2      ARG  12   5.077   0.683  -9.322
   98    HG3  ARG  12           HG1      ARG  12   4.621   2.280  -8.724
   99    HD2  ARG  12           HD2      ARG  12   6.793   2.400  -9.770
  100    HD3  ARG  12           HD1      ARG  12   6.959   2.658  -8.032
  101    HE   ARG  12           HE       ARG  12   7.368  -0.029  -8.409
  102   HH11  ARG  12          HH11      ARG  12  10.393   2.213  -9.772
  103   HH12  ARG  12          HH12      ARG  12   8.819   2.913  -9.584
  104   HH21  ARG  12          HH21      ARG  12  10.743   0.014  -9.242
  105   HH22  ARG  12          HH22      ARG  12   9.436  -0.958  -8.652
  106    H    VAL  13           HN       VAL  13   2.034   0.983  -5.058
  107    HA   VAL  13           HA       VAL  13   2.788  -1.249  -3.348
  108    HB   VAL  13           HB       VAL  13   2.879   1.636  -2.456
  109   HG11  VAL  13          HG11      VAL  13   3.157  -0.864  -0.799
  110   HG12  VAL  13          HG12      VAL  13   1.791   0.251  -0.772
  111   HG13  VAL  13          HG13      VAL  13   3.380   0.791  -0.230
  112   HG21  VAL  13          HG21      VAL  13   4.895   0.887  -3.596
  113   HG22  VAL  13          HG22      VAL  13   5.003  -0.504  -2.518
  114   HG23  VAL  13          HG23      VAL  13   5.203   1.126  -1.877
  115    H    ASN  14           HN       ASN  14   0.807  -2.190  -3.407
  116    HA   ASN  14           HA       ASN  14  -1.670  -0.977  -3.518
  117    HB2  ASN  14           HB2      ASN  14  -0.843  -3.588  -2.242
  118    HB3  ASN  14           HB1      ASN  14  -2.524  -3.093  -2.408
  119   HD21  ASN  14          HD21      ASN  14  -0.074  -2.359  -4.787
  120   HD22  ASN  14          HD22      ASN  14  -0.683  -3.406  -6.018
  121    H    ARG  15           HN       ARG  15  -1.975   0.778  -2.225
  122    HA   ARG  15           HA       ARG  15  -1.245   0.968   0.479
  123    HB2  ARG  15           HB1      ARG  15  -2.713   2.928   0.552
  124    HB3  ARG  15           HB2      ARG  15  -1.718   2.932  -0.897
  125    HG2  ARG  15           HG2      ARG  15  -3.612   2.101  -2.200
  126    HG3  ARG  15           HG1      ARG  15  -4.609   2.107  -0.744
  127    HD2  ARG  15           HD1      ARG  15  -3.303   4.511  -2.013
  128    HD3  ARG  15           HD2      ARG  15  -5.015   4.095  -2.099
  129    HE   ARG  15           HE       ARG  15  -4.383   4.241   0.587
  130   HH11  ARG  15          HH11      ARG  15  -4.368   6.381  -2.163
  131   HH12  ARG  15          HH12      ARG  15  -4.666   7.803  -1.220
  132   HH21  ARG  15          HH21      ARG  15  -4.898   7.648   1.052
  133   HH22  ARG  15          HH22      ARG  15  -4.776   6.108   1.835
  134    H    HIS  16           HN       HIS  16  -3.238   1.685   2.047
  135    HA   HIS  16           HA       HIS  16  -5.199  -0.507   2.002
  136    HB2  HIS  16           HB1      HIS  16  -3.632   0.442   4.410
  137    HB3  HIS  16           HB2      HIS  16  -4.943  -0.733   4.454
  138    HD1  HIS  16           HD1      HIS  16  -1.504  -0.337   2.893
  139    HD2  HIS  16           HD2      HIS  16  -4.138  -3.306   4.122
  140    HE1  HIS  16           HE1      HIS  16  -0.248  -2.500   2.631
  141    HE2  HIS  16           HE2      HIS  16  -1.862  -4.284   3.380
  142    H    SER  17           HN       SER  17  -7.164  -0.090   3.157
  143    HA   SER  17           HA       SER  17  -8.006   2.650   2.923
  144    HB2  SER  17           HB1      SER  17  -9.513   0.841   2.254
  145    HB3  SER  17           HB2      SER  17  -9.501   0.204   3.898
  146    HG   SER  17           HG       SER  17 -11.339   1.513   3.474
  147    H    THR  18           HN       THR  18  -7.621   4.094   4.457
  148    HA   THR  18           HA       THR  18  -7.850   3.248   7.272
  149    HB   THR  18           HB       THR  18  -5.947   5.335   6.189
  150    HG1  THR  18           HG1      THR  18  -5.284   2.837   7.372
  151   HG21  THR  18          HG21      THR  18  -6.291   4.216   8.975
  152   HG22  THR  18          HG22      THR  18  -6.727   5.842   8.449
  153   HG23  THR  18          HG23      THR  18  -5.034   5.347   8.470
  154    H    ALA  19           HN       ALA  19  -9.694   4.078   8.013
  155    HA   ALA  19           HA       ALA  19 -11.353   5.543   8.536
  156    HB1  ALA  19           HB1      ALA  19  -9.491   6.798   9.518
  157    HB2  ALA  19           HB2      ALA  19 -10.737   7.872   8.880
  158    HB3  ALA  19           HB3      ALA  19  -9.241   7.625   7.980
  159    H    ILE  20           HN       ILE  20 -12.263   7.883   7.625
  160    HA   ILE  20           HA       ILE  20 -12.500   7.531   4.708
  161    HB   ILE  20           HB       ILE  20 -14.712   8.359   6.593
  162   HG12  ILE  20          HG12      ILE  20 -14.384   5.798   5.012
  163   HG13  ILE  20          HG11      ILE  20 -14.094   5.952   6.742
  164   HG21  ILE  20          HG21      ILE  20 -16.148   8.206   4.609
  165   HG22  ILE  20          HG22      ILE  20 -14.731   7.862   3.618
  166   HG23  ILE  20          HG23      ILE  20 -14.891   9.427   4.415
  167   HD11  ILE  20          HD11      ILE  20 -16.263   4.969   6.297
  168   HD12  ILE  20          HD12      ILE  20 -16.725   6.383   5.350
  169   HD13  ILE  20          HD13      ILE  20 -16.436   6.539   7.083
  170    H    GLY  21           HN       GLY  21 -11.834   9.245   3.607
  171    HA2  GLY  21           HA2      GLY  21 -12.395  11.927   4.627
  172    HA3  GLY  21           HA1      GLY  21 -10.710  11.512   4.357
  173    H    ARG  22           HN       ARG  22 -11.685  13.628   3.021
  174    HA   ARG  22           HA       ARG  22 -12.488  12.733   0.361
  175    HB2  ARG  22           HB1      ARG  22 -12.160  15.522   1.481
  176    HB3  ARG  22           HB2      ARG  22 -12.770  15.137  -0.122
  177    HG2  ARG  22           HG1      ARG  22 -14.670  13.974   0.878
  178    HG3  ARG  22           HG2      ARG  22 -14.056  14.357   2.487
  179    HD2  ARG  22           HD2      ARG  22 -15.819  15.907   1.830
  180    HD3  ARG  22           HD1      ARG  22 -14.275  16.740   2.012
  181    HE   ARG  22           HE       ARG  22 -14.566  16.001  -0.669
  182   HH11  ARG  22          HH11      ARG  22 -16.013  18.154   1.657
  183   HH12  ARG  22          HH12      ARG  22 -16.503  19.315   0.470
  184   HH21  ARG  22          HH21      ARG  22 -15.208  17.526  -2.239
  185   HH22  ARG  22          HH22      ARG  22 -16.046  18.958  -1.745
  Start of MODEL    6
    1    H1   ACE   0           HA1      ACE   0   4.384   1.430  13.575
    2    H2   ACE   0           HA2      ACE   0   4.785   0.027  12.586
    3    H3   ACE   0           HA3      ACE   0   3.227   0.074  13.410
    4    H    MET   1           HN       MET   1   5.048   2.374  11.392
    5    HA   MET   1           HA       MET   1   2.579   2.992   9.960
    6    HB2  MET   1           HB2      MET   1   5.301   4.291   9.744
    7    HB3  MET   1           HB1      MET   1   3.808   4.882   9.030
    8    HG2  MET   1           HG2      MET   1   4.394   4.656  11.970
    9    HG3  MET   1           HG1      MET   1   4.398   6.138  11.015
   10    HE1  MET   1           HE1      MET   1   2.732   5.790  13.718
   11    HE2  MET   1           HE2      MET   1   1.211   6.554  13.259
   12    HE3  MET   1           HE3      MET   1   2.744   7.270  12.758
   13    H    ASN   2           HN       ASN   2   2.174   1.533   8.367
   14    HA   ASN   2           HA       ASN   2   4.402   0.596   6.732
   15    HB2  ASN   2           HB1      ASN   2   3.014  -1.211   7.276
   16    HB3  ASN   2           HB2      ASN   2   1.541  -0.287   6.994
   17   HD21  ASN   2          HD21      ASN   2   4.205  -0.113   4.748
   18   HD22  ASN   2          HD22      ASN   2   3.455  -1.012   3.477
   19    H    TRP   3           HN       TRP   3   4.948   1.606   5.003
   20    HA   TRP   3           HA       TRP   3   3.127   2.379   2.988
   21    HB2  TRP   3           HB1      TRP   3   3.752   4.815   2.996
   22    HB3  TRP   3           HB2      TRP   3   2.650   4.308   4.268
   23    HD1  TRP   3           HD1      TRP   3   3.807   4.037   6.772
   24    HE1  TRP   3           HE1      TRP   3   5.667   5.454   7.845
   25    HE3  TRP   3           HE3      TRP   3   5.800   5.989   2.546
   26    HZ2  TRP   3           HZ2      TRP   3   7.722   7.190   6.980
   27    HZ3  TRP   3           HZ3      TRP   3   7.724   7.528   2.726
   28    HH2  TRP   3           HH2      TRP   3   8.668   8.109   4.904
   29    H    THR   4           HN       THR   4   6.238   3.709   4.040
   30    HA   THR   4           HA       THR   4   8.054   4.150   2.720
   31    HB   THR   4           HB       THR   4   8.392   2.051   4.090
   32    HG1  THR   4           HG1      THR   4   9.982   3.237   2.709
   33   HG21  THR   4          HG21      THR   4   6.936   0.568   2.750
   34   HG22  THR   4          HG22      THR   4   8.574  -0.067   2.910
   35   HG23  THR   4          HG23      THR   4   8.069   0.699   1.404
   36    H    GLY   5           HN       GLY   5   5.641   4.112   1.097
   37    HA2  GLY   5           HA1      GLY   5   6.856   3.748  -1.481
   38    HA3  GLY   5           HA2      GLY   5   5.608   2.561  -1.127
   39    H    LEU   6           HN       LEU   6   5.452   5.866   0.029
   40    HA   LEU   6           HA       LEU   6   3.178   6.317  -1.792
   41    HB2  LEU   6           HB1      LEU   6   2.541   8.044  -0.021
   42    HB3  LEU   6           HB2      LEU   6   2.291   6.347   0.335
   43    HG   LEU   6           HG       LEU   6   4.512   6.408   1.560
   44   HD11  LEU   6          HD11      LEU   6   5.424   8.437   0.606
   45   HD12  LEU   6          HD12      LEU   6   5.262   8.605   2.355
   46   HD13  LEU   6          HD13      LEU   6   4.095   9.378   1.281
   47   HD21  LEU   6          HD21      LEU   6   2.287   8.135   2.616
   48   HD22  LEU   6          HD22      LEU   6   3.553   7.361   3.573
   49   HD23  LEU   6          HD23      LEU   6   2.368   6.376   2.711
   50    H    TYR   7           HN       TYR   7   6.125   6.949  -2.078
   51    HA   TYR   7           HA       TYR   7   5.799   9.779  -2.758
   52    HB2  TYR   7           HB1      TYR   7   8.327   9.941  -2.369
   53    HB3  TYR   7           HB2      TYR   7   7.293   9.835  -0.947
   54    HD1  TYR   7           HD1      TYR   7   6.747   7.246  -0.368
   55    HD2  TYR   7           HD2      TYR   7  10.285   8.698  -2.207
   56    HE1  TYR   7           HE1      TYR   7   7.921   5.279   0.390
   57    HE2  TYR   7           HE2      TYR   7  11.508   6.703  -1.431
   58    HH   TYR   7           HH       TYR   7   9.931   3.960  -0.195
   59    H    THR   8           HN       THR   8   7.360   6.726  -3.536
   60    HA   THR   8           HA       THR   8   7.460   7.540  -6.344
   61    HB   THR   8           HB       THR   8   9.719   6.575  -6.615
   62    HG1  THR   8           HG1      THR   8   9.329   5.491  -4.340
   63   HG21  THR   8          HG21      THR   8   9.482   8.993  -6.313
   64   HG22  THR   8          HG22      THR   8  10.973   8.409  -5.576
   65   HG23  THR   8          HG23      THR   8   9.580   8.790  -4.564
   66    H    LEU   9           HN       LEU   9   6.163   5.527  -4.321
   67    HA   LEU   9           HA       LEU   9   6.190   3.302  -6.213
   68    HB2  LEU   9           HB2      LEU   9   6.596   2.975  -3.247
   69    HB3  LEU   9           HB1      LEU   9   6.362   1.665  -4.387
   70    HG   LEU   9           HG       LEU   9   8.679   3.595  -4.498
   71   HD11  LEU   9          HD21      LEU   9  10.015   1.780  -3.563
   72   HD12  LEU   9          HD22      LEU   9   8.553   0.815  -3.351
   73   HD13  LEU   9          HD23      LEU   9   8.764   2.311  -2.439
   74   HD21  LEU   9          HD11      LEU   9   8.158   0.973  -5.889
   75   HD22  LEU   9          HD12      LEU   9   9.656   1.899  -5.979
   76   HD23  LEU   9          HD13      LEU   9   8.163   2.572  -6.633
   77    H    LEU  10           HN       LEU  10   4.384   5.516  -5.032
   78    HA   LEU  10           HA       LEU  10   2.269   4.666  -3.597
   79    HB2  LEU  10           HB1      LEU  10   2.171   6.324  -6.116
   80    HB3  LEU  10           HB2      LEU  10   0.851   6.183  -4.971
   81    HG   LEU  10           HG       LEU  10   2.423   7.128  -3.223
   82   HD11  LEU  10          HD21      LEU  10   4.142   7.329  -5.642
   83   HD12  LEU  10          HD22      LEU  10   4.577   6.957  -3.968
   84   HD13  LEU  10          HD23      LEU  10   4.210   8.617  -4.440
   85   HD21  LEU  10          HD11      LEU  10   2.097   9.432  -3.970
   86   HD22  LEU  10          HD12      LEU  10   0.658   8.452  -4.251
   87   HD23  LEU  10          HD13      LEU  10   1.729   8.854  -5.595
   88    H    SER  11           HN       SER  11   2.032   4.621  -7.148
   89    HA   SER  11           HA       SER  11  -0.069   2.713  -7.143
   90    HB2  SER  11           HB2      SER  11   0.209   4.314  -8.981
   91    HB3  SER  11           HB1      SER  11   1.756   3.579  -9.402
   92    HG   SER  11           HG       SER  11  -0.617   2.056  -9.325
   93    H    ARG  12           HN       ARG  12   3.195   2.396  -6.604
   94    HA   ARG  12           HA       ARG  12   3.347  -0.337  -7.644
   95    HB2  ARG  12           HB1      ARG  12   5.496   1.442  -6.475
   96    HB3  ARG  12           HB2      ARG  12   5.759  -0.159  -7.156
   97    HG2  ARG  12           HG2      ARG  12   5.119   0.614  -9.344
   98    HG3  ARG  12           HG1      ARG  12   4.678   2.194  -8.694
   99    HD2  ARG  12           HD1      ARG  12   6.850   2.318  -9.753
  100    HD3  ARG  12           HD2      ARG  12   7.015   2.545  -8.011
  101    HE   ARG  12           HE       ARG  12   7.404  -0.146  -8.467
  102   HH11  ARG  12          HH11      ARG  12  10.478   2.143  -9.630
  103   HH12  ARG  12          HH12      ARG  12   8.901   2.840  -9.461
  104   HH21  ARG  12          HH21      ARG  12   9.477  -1.071  -8.685
  105   HH22  ARG  12          HH22      ARG  12  10.805  -0.080  -9.189
  106    H    VAL  13           HN       VAL  13   2.081   0.926  -5.071
  107    HA   VAL  13           HA       VAL  13   2.802  -1.294  -3.334
  108    HB   VAL  13           HB       VAL  13   2.949   1.605  -2.496
  109   HG11  VAL  13          HG11      VAL  13   3.396   0.808  -0.243
  110   HG12  VAL  13          HG12      VAL  13   3.138  -0.857  -0.771
  111   HG13  VAL  13          HG13      VAL  13   1.800   0.293  -0.792
  112   HG21  VAL  13          HG21      VAL  13   5.250   1.055  -1.882
  113   HG22  VAL  13          HG22      VAL  13   4.955   0.757  -3.595
  114   HG23  VAL  13          HG23      VAL  13   5.013  -0.594  -2.462
  115    H    ASN  14           HN       ASN  14   0.826  -2.217  -3.323
  116    HA   ASN  14           HA       ASN  14  -1.648  -1.080  -3.551
  117    HB2  ASN  14           HB2      ASN  14  -2.506  -3.058  -2.251
  118    HB3  ASN  14           HB1      ASN  14  -1.439  -3.464  -3.591
  119   HD21  ASN  14          HD21      ASN  14   0.660  -4.185  -3.154
  120   HD22  ASN  14          HD22      ASN  14   1.096  -4.816  -1.605
  121    H    ARG  15           HN       ARG  15  -2.124   0.766  -2.501
  122    HA   ARG  15           HA       ARG  15  -1.403   1.434   0.112
  123    HB2  ARG  15           HB2      ARG  15  -3.141   3.180  -0.053
  124    HB3  ARG  15           HB1      ARG  15  -2.119   3.116  -1.481
  125    HG2  ARG  15           HG2      ARG  15  -3.866   1.845  -2.653
  126    HG3  ARG  15           HG1      ARG  15  -4.896   1.980  -1.225
  127    HD2  ARG  15           HD1      ARG  15  -5.496   3.661  -2.873
  128    HD3  ARG  15           HD2      ARG  15  -4.843   4.419  -1.420
  129    HE   ARG  15           HE       ARG  15  -2.712   4.099  -3.146
  130   HH11  ARG  15          HH11      ARG  15  -5.768   5.775  -3.153
  131   HH12  ARG  15          HH12      ARG  15  -5.212   7.049  -4.187
  132   HH21  ARG  15          HH21      ARG  15  -1.973   5.771  -4.507
  133   HH22  ARG  15          HH22      ARG  15  -3.056   7.046  -4.956
  134    H    HIS  16           HN       HIS  16  -4.167  -0.322  -1.139
  135    HA   HIS  16           HA       HIS  16  -5.341  -0.488   1.536
  136    HB2  HIS  16           HB1      HIS  16  -7.260  -1.566   0.348
  137    HB3  HIS  16           HB2      HIS  16  -6.916   0.073  -0.194
  138    HD1  HIS  16           HD1      HIS  16  -6.143   0.387  -2.609
  139    HD2  HIS  16           HD2      HIS  16  -6.697  -3.591  -1.543
  140    HE1  HIS  16           HE1      HIS  16  -6.060  -0.905  -4.765
  141    HE2  HIS  16           HE2      HIS  16  -6.397  -3.311  -4.097
  142    H    SER  17           HN       SER  17  -6.432  -2.761   1.894
  143    HA   SER  17           HA       SER  17  -6.126  -4.937   2.466
  144    HB2  SER  17           HB1      SER  17  -4.468  -4.988  -0.068
  145    HB3  SER  17           HB2      SER  17  -5.010  -6.414   0.818
  146    HG   SER  17           HG       SER  17  -6.323  -5.581  -1.052
  147    H    THR  18           HN       THR  18  -5.031  -4.911   4.347
  148    HA   THR  18           HA       THR  18  -2.317  -4.182   4.625
  149    HB   THR  18           HB       THR  18  -2.486  -5.178   6.897
  150    HG1  THR  18           HG1      THR  18  -4.552  -6.420   5.707
  151   HG21  THR  18          HG21      THR  18  -3.189  -2.863   6.517
  152   HG22  THR  18          HG22      THR  18  -4.209  -3.638   7.731
  153   HG23  THR  18          HG23      THR  18  -4.807  -3.418   6.087
  154    H    ALA  19           HN       ALA  19  -3.936  -7.334   4.527
  155    HA   ALA  19           HA       ALA  19  -3.173  -9.441   4.146
  156    HB1  ALA  19           HB1      ALA  19  -1.356  -9.709   2.545
  157    HB2  ALA  19           HB2      ALA  19  -0.926  -8.009   2.732
  158    HB3  ALA  19           HB3      ALA  19  -2.476  -8.452   2.018
  159    H    ILE  20           HN       ILE  20  -2.181  -7.817   6.499
  160    HA   ILE  20           HA       ILE  20   0.415  -8.999   7.053
  161    HB   ILE  20           HB       ILE  20  -1.325  -7.279   8.826
  162   HG12  ILE  20          HG12      ILE  20   1.086  -6.514   7.164
  163   HG13  ILE  20          HG11      ILE  20  -0.584  -6.160   6.729
  164   HG21  ILE  20          HG21      ILE  20   0.245  -8.629  10.097
  165   HG22  ILE  20          HG22      ILE  20   0.733  -6.935  10.121
  166   HG23  ILE  20          HG23      ILE  20   1.572  -8.079   9.074
  167   HD11  ILE  20          HD11      ILE  20   0.501  -4.221   7.692
  168   HD12  ILE  20          HD12      ILE  20   0.863  -5.132   9.158
  169   HD13  ILE  20          HD13      ILE  20  -0.811  -4.782   8.728
  170    H    GLY  21           HN       GLY  21   0.533 -11.021   7.765
  171    HA2  GLY  21           HA1      GLY  21  -1.065 -11.864  10.020
  172    HA3  GLY  21           HA2      GLY  21  -1.423 -12.725   8.531
  173    H    ARG  22           HN       ARG  22   0.932 -12.168  11.037
  174    HA   ARG  22           HA       ARG  22   2.982 -13.805   9.923
  175    HB2  ARG  22           HB1      ARG  22   3.439 -12.063  11.606
  176    HB3  ARG  22           HB2      ARG  22   2.522 -12.977  12.796
  177    HG2  ARG  22           HG1      ARG  22   4.134 -14.808  12.631
  178    HG3  ARG  22           HG2      ARG  22   5.055 -13.885  11.441
  179    HD2  ARG  22           HD2      ARG  22   6.054 -13.687  13.651
  180    HD3  ARG  22           HD1      ARG  22   5.441 -12.131  13.096
  181    HE   ARG  22           HE       ARG  22   3.433 -13.334  14.603
  182   HH11  ARG  22          HH11      ARG  22   6.652 -12.080  15.063
  183   HH12  ARG  22          HH12      ARG  22   6.383 -11.638  16.715
  184   HH21  ARG  22          HH21      ARG  22   4.347 -12.022  17.690
  185   HH22  ARG  22          HH22      ARG  22   3.070 -12.756  16.778
  Start of MODEL    7
    1    H1   ACE   0           HA1      ACE   0   7.736  -2.134  11.583
    2    H2   ACE   0           HA2      ACE   0   8.857  -2.644  10.321
    3    H3   ACE   0           HA3      ACE   0   7.356  -3.540  10.542
    4    H    MET   1           HN       MET   1   8.724  -0.455   9.540
    5    HA   MET   1           HA       MET   1   6.182   0.361   8.376
    6    HB2  MET   1           HB2      MET   1   8.860   1.743   8.588
    7    HB3  MET   1           HB1      MET   1   7.477   2.433   7.751
    8    HG2  MET   1           HG2      MET   1   7.583   3.395   9.918
    9    HG3  MET   1           HG1      MET   1   6.199   2.303   9.875
   10    HE1  MET   1           HE1      MET   1   7.501   3.468  12.565
   11    HE2  MET   1           HE2      MET   1   7.471   2.027  13.582
   12    HE3  MET   1           HE3      MET   1   6.097   2.401  12.541
   13    H    ASN   2           HN       ASN   2   5.706  -0.593   6.493
   14    HA   ASN   2           HA       ASN   2   7.843  -0.803   4.475
   15    HB2  ASN   2           HB1      ASN   2   6.611  -2.923   5.386
   16    HB3  ASN   2           HB2      ASN   2   5.307  -2.399   4.326
   17   HD21  ASN   2          HD21      ASN   2   7.932  -2.609   1.563
   18   HD22  ASN   2          HD22      ASN   2   7.315  -1.245   2.422
   19    H    TRP   3           HN       TRP   3   5.904   1.435   5.162
   20    HA   TRP   3           HA       TRP   3   4.117   1.613   2.936
   21    HB2  TRP   3           HB1      TRP   3   3.773   3.928   3.625
   22    HB3  TRP   3           HB2      TRP   3   3.629   2.828   4.995
   23    HD1  TRP   3           HD1      TRP   3   5.435   3.023   6.890
   24    HE1  TRP   3           HE1      TRP   3   7.131   4.861   7.505
   25    HE3  TRP   3           HE3      TRP   3   5.423   5.596   2.513
   26    HZ2  TRP   3           HZ2      TRP   3   8.295   7.108   6.256
   27    HZ3  TRP   3           HZ3      TRP   3   6.861   7.569   2.283
   28    HH2  TRP   3           HH2      TRP   3   8.279   8.309   4.124
   29    H    THR   4           HN       THR   4   7.408   1.903   3.225
   30    HA   THR   4           HA       THR   4   8.124   4.094   1.748
   31    HB   THR   4           HB       THR   4   9.412   1.355   1.606
   32    HG1  THR   4           HG1      THR   4   9.546   3.487   3.442
   33   HG21  THR   4          HG21      THR   4  11.432   2.522   0.943
   34   HG22  THR   4          HG22      THR   4  10.602   4.074   1.043
   35   HG23  THR   4          HG23      THR   4  10.135   2.902  -0.190
   36    H    GLY   5           HN       GLY   5   6.451   4.396   0.194
   37    HA2  GLY   5           HA1      GLY   5   6.927   3.923  -2.400
   38    HA3  GLY   5           HA2      GLY   5   6.112   2.442  -1.916
   39    H    LEU   6           HN       LEU   6   5.225   5.423  -0.365
   40    HA   LEU   6           HA       LEU   6   2.712   5.461  -1.908
   41    HB2  LEU   6           HB2      LEU   6   1.795   6.644   0.133
   42    HB3  LEU   6           HB1      LEU   6   2.166   4.943   0.325
   43    HG   LEU   6           HG       LEU   6   4.354   5.643   1.363
   44   HD11  LEU   6          HD11      LEU   6   3.029   8.346   1.410
   45   HD12  LEU   6          HD12      LEU   6   4.496   7.912   0.531
   46   HD13  LEU   6          HD13      LEU   6   4.491   7.904   2.296
   47   HD21  LEU   6          HD21      LEU   6   1.882   6.572   2.802
   48   HD22  LEU   6          HD22      LEU   6   3.415   6.081   3.534
   49   HD23  LEU   6          HD23      LEU   6   2.418   4.895   2.682
   50    H    TYR   7           HN       TYR   7   5.435   6.896  -2.116
   51    HA   TYR   7           HA       TYR   7   4.317   9.556  -2.537
   52    HB2  TYR   7           HB2      TYR   7   6.509  10.494  -1.685
   53    HB3  TYR   7           HB1      TYR   7   5.449   9.777  -0.472
   54    HD1  TYR   7           HD1      TYR   7   5.859   7.094  -0.291
   55    HD2  TYR   7           HD2      TYR   7   8.756  10.009  -1.395
   56    HE1  TYR   7           HE1      TYR   7   7.615   5.571   0.344
   57    HE2  TYR   7           HE2      TYR   7  10.557   8.472  -0.721
   58    HH   TYR   7           HH       TYR   7  10.856   6.522   0.757
   59    H    THR   8           HN       THR   8   7.236   7.569  -3.117
   60    HA   THR   8           HA       THR   8   7.571   8.971  -5.673
   61    HB   THR   8           HB       THR   8   9.891   7.987  -5.650
   62    HG1  THR   8           HG1      THR   8   9.128   6.423  -3.890
   63   HG21  THR   8          HG21      THR   8   9.083   9.833  -3.401
   64   HG22  THR   8          HG22      THR   8   9.550  10.299  -5.036
   65   HG23  THR   8          HG23      THR   8  10.741   9.584  -3.949
   66    H    LEU   9           HN       LEU   9   6.347   6.152  -4.519
   67    HA   LEU   9           HA       LEU   9   6.869   4.783  -7.063
   68    HB2  LEU   9           HB1      LEU   9   6.822   3.668  -4.290
   69    HB3  LEU   9           HB2      LEU   9   6.420   2.650  -5.656
   70    HG   LEU   9           HG       LEU   9   8.717   2.286  -5.090
   71   HD11  LEU   9          HD11      LEU   9   9.830   2.862  -7.181
   72   HD12  LEU   9          HD12      LEU   9   8.542   4.007  -7.557
   73   HD13  LEU   9          HD13      LEU   9   8.189   2.281  -7.467
   74   HD21  LEU   9          HD21      LEU   9  10.372   3.991  -4.954
   75   HD22  LEU   9          HD22      LEU   9   9.027   4.465  -3.915
   76   HD23  LEU   9          HD23      LEU   9   9.230   5.221  -5.495
   77    H    LEU  10           HN       LEU  10   4.713   4.958  -4.335
   78    HA   LEU  10           HA       LEU  10   2.462   4.908  -4.104
   79    HB2  LEU  10           HB2      LEU  10   2.191   5.308  -7.060
   80    HB3  LEU  10           HB1      LEU  10   1.131   5.864  -5.775
   81    HG   LEU  10           HG       LEU  10   3.828   6.952  -6.556
   82   HD11  LEU  10          HD11      LEU  10   1.103   8.218  -6.310
   83   HD12  LEU  10          HD12      LEU  10   1.921   7.790  -7.813
   84   HD13  LEU  10          HD13      LEU  10   2.588   9.049  -6.773
   85   HD21  LEU  10          HD21      LEU  10   3.575   8.510  -4.631
   86   HD22  LEU  10          HD22      LEU  10   3.893   6.837  -4.164
   87   HD23  LEU  10          HD23      LEU  10   2.258   7.494  -4.044
   88    H    SER  11           HN       SER  11   2.842   3.456  -7.345
   89    HA   SER  11           HA       SER  11   0.944   1.445  -6.944
   90    HB2  SER  11           HB2      SER  11   1.958   0.346  -8.912
   91    HB3  SER  11           HB1      SER  11   1.734   2.076  -9.174
   92    HG   SER  11           HG       SER  11   4.035   2.163  -8.353
   93    H    ARG  12           HN       ARG  12   3.968   1.797  -5.544
   94    HA   ARG  12           HA       ARG  12   4.603  -1.002  -5.277
   95    HB2  ARG  12           HB1      ARG  12   6.344   0.770  -5.405
   96    HB3  ARG  12           HB2      ARG  12   5.784   1.394  -3.862
   97    HG2  ARG  12           HG1      ARG  12   6.407  -0.710  -2.783
   98    HG3  ARG  12           HG2      ARG  12   6.978  -1.330  -4.335
   99    HD2  ARG  12           HD2      ARG  12   8.634   0.455  -4.453
  100    HD3  ARG  12           HD1      ARG  12   8.048   1.117  -2.927
  101    HE   ARG  12           HE       ARG  12   8.758  -1.537  -2.473
  102   HH11  ARG  12          HH11      ARG  12  10.289   1.460  -3.374
  103   HH12  ARG  12          HH12      ARG  12  11.811   1.048  -2.657
  104   HH21  ARG  12          HH21      ARG  12  12.077  -0.969  -1.606
  105   HH22  ARG  12          HH22      ARG  12  10.758  -2.088  -1.525
  106    H    VAL  13           HN       VAL  13   2.275   0.798  -3.984
  107    HA   VAL  13           HA       VAL  13   2.066  -0.877  -1.615
  108    HB   VAL  13           HB       VAL  13   1.854   2.135  -1.498
  109   HG11  VAL  13          HG11      VAL  13   1.400   0.058   0.634
  110   HG12  VAL  13          HG12      VAL  13   0.173   1.079  -0.114
  111   HG13  VAL  13          HG13      VAL  13   1.427   1.802   0.894
  112   HG21  VAL  13          HG21      VAL  13   3.734   1.985   0.073
  113   HG22  VAL  13          HG22      VAL  13   4.165   1.379  -1.526
  114   HG23  VAL  13          HG23      VAL  13   3.827   0.247  -0.216
  115    H    ASN  14           HN       ASN  14   0.261  -1.914  -2.276
  116    HA   ASN  14           HA       ASN  14  -1.845  -0.911  -3.766
  117    HB2  ASN  14           HB2      ASN  14  -2.003  -3.025  -1.607
  118    HB3  ASN  14           HB1      ASN  14  -3.158  -2.791  -2.916
  119   HD21  ASN  14          HD21      ASN  14   0.381  -4.680  -3.552
  120   HD22  ASN  14          HD22      ASN  14   0.071  -3.812  -2.091
  121    H    ARG  15           HN       ARG  15  -2.550   1.102  -3.164
  122    HA   ARG  15           HA       ARG  15  -3.112   1.925  -0.541
  123    HB2  ARG  15           HB2      ARG  15  -2.782   3.493  -2.402
  124    HB3  ARG  15           HB1      ARG  15  -4.280   2.942  -3.139
  125    HG2  ARG  15           HG1      ARG  15  -5.546   3.793  -1.245
  126    HG3  ARG  15           HG2      ARG  15  -4.049   4.311  -0.466
  127    HD2  ARG  15           HD2      ARG  15  -5.103   5.314  -3.107
  128    HD3  ARG  15           HD1      ARG  15  -5.177   6.177  -1.572
  129    HE   ARG  15           HE       ARG  15  -2.507   5.482  -2.166
  130   HH11  ARG  15          HH11      ARG  15  -5.034   7.674  -3.139
  131   HH12  ARG  15          HH12      ARG  15  -3.938   8.899  -3.684
  132   HH21  ARG  15          HH21      ARG  15  -1.056   7.090  -2.881
  133   HH22  ARG  15          HH22      ARG  15  -1.677   8.567  -3.538
  134    H    HIS  16           HN       HIS  16  -4.705   1.397   0.793
  135    HA   HIS  16           HA       HIS  16  -6.890  -0.247  -0.118
  136    HB2  HIS  16           HB1      HIS  16  -6.281   0.877   2.624
  137    HB3  HIS  16           HB2      HIS  16  -7.526  -0.315   2.269
  138    HD1  HIS  16           HD1      HIS  16  -3.914   0.042   2.915
  139    HD2  HIS  16           HD2      HIS  16  -6.513  -2.893   1.538
  140    HE1  HIS  16           HE1      HIS  16  -2.625  -2.114   3.050
  141    HE2  HIS  16           HE2      HIS  16  -4.217  -3.877   2.212
  142    H    SER  17           HN       SER  17  -9.053   0.262  -0.150
  143    HA   SER  17           HA       SER  17 -10.851   1.580  -0.607
  144    HB2  SER  17           HB2      SER  17 -11.458   3.174   1.134
  145    HB3  SER  17           HB1      SER  17 -10.787   1.718   1.868
  146    HG   SER  17           HG       SER  17  -9.988   4.194   2.215
  147    H    THR  18           HN       THR  18 -11.346   4.291  -0.382
  148    HA   THR  18           HA       THR  18  -9.538   5.356  -2.439
  149    HB   THR  18           HB       THR  18 -11.854   5.250  -3.154
  150    HG1  THR  18           HG1      THR  18 -10.541   7.123  -3.721
  151   HG21  THR  18          HG21      THR  18 -13.605   6.542  -2.026
  152   HG22  THR  18          HG22      THR  18 -12.458   7.000  -0.768
  153   HG23  THR  18          HG23      THR  18 -12.931   5.312  -0.957
  154    H    ALA  19           HN       ALA  19 -10.747   5.893   0.766
  155    HA   ALA  19           HA       ALA  19  -9.271   8.441   0.894
  156    HB1  ALA  19           HB1      ALA  19 -11.673   8.698   1.289
  157    HB2  ALA  19           HB2      ALA  19 -10.734   9.085   2.731
  158    HB3  ALA  19           HB3      ALA  19 -11.577   7.540   2.617
  159    H    ILE  20           HN       ILE  20  -8.687   8.890   3.344
  160    HA   ILE  20           HA       ILE  20  -7.034   6.625   4.162
  161    HB   ILE  20           HB       ILE  20  -5.904   8.768   3.912
  162   HG12  ILE  20          HG11      ILE  20  -6.128   8.015   6.836
  163   HG13  ILE  20          HG12      ILE  20  -5.147   7.155   5.653
  164   HG21  ILE  20          HG21      ILE  20  -6.408  10.653   5.389
  165   HG22  ILE  20          HG22      ILE  20  -7.765   9.756   6.069
  166   HG23  ILE  20          HG23      ILE  20  -7.789  10.239   4.374
  167   HD11  ILE  20          HD11      ILE  20  -3.807   9.164   5.305
  168   HD12  ILE  20          HD12      ILE  20  -3.791   8.648   6.992
  169   HD13  ILE  20          HD13      ILE  20  -4.786  10.019   6.497
  170    H    GLY  21           HN       GLY  21  -7.176   5.621   6.126
  171    HA2  GLY  21           HA1      GLY  21  -9.680   5.970   7.555
  172    HA3  GLY  21           HA2      GLY  21  -8.503   4.690   7.806
  173    H    ARG  22           HN       ARG  22  -6.383   5.458   8.790
  174    HA   ARG  22           HA       ARG  22  -6.690   7.751  10.563
  175    HB2  ARG  22           HB2      ARG  22  -5.896   6.296  12.501
  176    HB3  ARG  22           HB1      ARG  22  -7.570   6.107  11.999
  177    HG2  ARG  22           HG2      ARG  22  -6.962   4.096  10.742
  178    HG3  ARG  22           HG1      ARG  22  -5.287   4.282  11.268
  179    HD2  ARG  22           HD2      ARG  22  -6.454   2.641  12.638
  180    HD3  ARG  22           HD1      ARG  22  -5.987   4.045  13.595
  181    HE   ARG  22           HE       ARG  22  -8.592   4.448  12.670
  182   HH11  ARG  22          HH11      ARG  22  -8.213   2.076  15.875
  183   HH12  ARG  22          HH12      ARG  22  -6.853   2.344  14.837
  184   HH21  ARG  22          HH21      ARG  22 -10.222   3.075  15.418
  185   HH22  ARG  22          HH22      ARG  22 -10.388   4.101  14.032
  Start of MODEL    8
    1    H1   ACE   0           HA1      ACE   0   1.467   1.074  10.495
    2    H2   ACE   0           HA2      ACE   0   0.423   1.125   9.077
    3    H3   ACE   0           HA3      ACE   0   0.274   2.392  10.293
    4    H    MET   1           HN       MET   1   3.449   1.328   9.703
    5    HA   MET   1           HA       MET   1   4.027   3.850   8.338
    6    HB2  MET   1           HB1      MET   1   5.725   1.892   9.865
    7    HB3  MET   1           HB2      MET   1   6.446   3.131   8.848
    8    HG2  MET   1           HG1      MET   1   6.394   3.872  11.133
    9    HG3  MET   1           HG2      MET   1   5.303   4.857  10.160
   10    HE1  MET   1           HE1      MET   1   4.182   5.773  12.399
   11    HE2  MET   1           HE2      MET   1   5.268   4.770  13.359
   12    HE3  MET   1           HE3      MET   1   3.531   4.727  13.661
   13    H    ASN   2           HN       ASN   2   2.894   1.369   7.055
   14    HA   ASN   2           HA       ASN   2   4.943   0.268   5.409
   15    HB2  ASN   2           HB1      ASN   2   2.753  -0.860   5.930
   16    HB3  ASN   2           HB2      ASN   2   1.972   0.288   4.845
   17   HD21  ASN   2          HD21      ASN   2   2.627   0.281   2.601
   18   HD22  ASN   2          HD22      ASN   2   3.202  -1.182   1.885
   19    H    TRP   3           HN       TRP   3   3.683   3.311   5.453
   20    HA   TRP   3           HA       TRP   3   2.997   4.028   2.913
   21    HB2  TRP   3           HB2      TRP   3   4.000   6.235   3.342
   22    HB3  TRP   3           HB1      TRP   3   3.042   5.660   4.710
   23    HD1  TRP   3           HD1      TRP   3   4.329   5.135   6.946
   24    HE1  TRP   3           HE1      TRP   3   6.687   5.732   7.793
   25    HE3  TRP   3           HE3      TRP   3   6.425   6.444   2.517
   26    HZ2  TRP   3           HZ2      TRP   3   9.121   6.643   6.684
   27    HZ3  TRP   3           HZ3      TRP   3   8.780   7.161   2.473
   28    HH2  TRP   3           HH2      TRP   3  10.103   7.253   4.522
   29    H    THR   4           HN       THR   4   6.085   3.014   4.078
   30    HA   THR   4           HA       THR   4   7.992   4.011   2.548
   31    HB   THR   4           HB       THR   4   7.613   1.018   2.735
   32    HG1  THR   4           HG1      THR   4   8.702   2.891   4.586
   33   HG21  THR   4          HG21      THR   4   9.407   1.699   1.222
   34   HG22  THR   4          HG22      THR   4  10.066   0.960   2.683
   35   HG23  THR   4          HG23      THR   4  10.101   2.712   2.488
   36    H    GLY   5           HN       GLY   5   7.206   4.893   0.642
   37    HA2  GLY   5           HA1      GLY   5   7.667   4.010  -1.759
   38    HA3  GLY   5           HA2      GLY   5   6.233   3.048  -1.414
   39    H    LEU   6           HN       LEU   6   5.847   5.875   0.221
   40    HA   LEU   6           HA       LEU   6   3.859   6.815  -1.609
   41    HB2  LEU   6           HB1      LEU   6   3.112   8.134   0.091
   42    HB3  LEU   6           HB2      LEU   6   3.888   6.839   0.970
   43    HG   LEU   6           HG       LEU   6   4.716   9.704   0.713
   44   HD11  LEU   6          HD21      LEU   6   4.842   7.848   3.072
   45   HD12  LEU   6          HD22      LEU   6   3.388   8.751   2.640
   46   HD13  LEU   6          HD23      LEU   6   4.869   9.612   3.066
   47   HD21  LEU   6          HD11      LEU   6   6.552   7.378   0.946
   48   HD22  LEU   6          HD12      LEU   6   6.874   8.804   1.933
   49   HD23  LEU   6          HD13      LEU   6   6.802   8.946   0.175
   50    H    TYR   7           HN       TYR   7   6.836   6.987  -2.223
   51    HA   TYR   7           HA       TYR   7   6.802   9.776  -3.095
   52    HB2  TYR   7           HB1      TYR   7   9.331   9.711  -2.859
   53    HB3  TYR   7           HB2      TYR   7   8.400   9.761  -1.367
   54    HD1  TYR   7           HD1      TYR   7   7.676   7.230  -0.619
   55    HD2  TYR   7           HD2      TYR   7  11.185   8.330  -2.759
   56    HE1  TYR   7           HE1      TYR   7   8.761   5.221   0.155
   57    HE2  TYR   7           HE2      TYR   7  12.307   6.285  -1.965
   58    HH   TYR   7           HH       TYR   7  10.622   3.731  -0.487
   59    H    THR   8           HN       THR   8   7.743   6.472  -3.788
   60    HA   THR   8           HA       THR   8   7.871   7.156  -6.627
   61    HB   THR   8           HB       THR   8   9.912   5.861  -6.988
   62    HG1  THR   8           HG1      THR   8   9.418   4.802  -4.709
   63   HG21  THR   8          HG21      THR   8  10.141   8.266  -6.610
   64   HG22  THR   8          HG22      THR   8  11.526   7.394  -5.955
   65   HG23  THR   8          HG23      THR   8  10.268   7.989  -4.873
   66    H    LEU   9           HN       LEU   9   6.389   5.426  -4.441
   67    HA   LEU   9           HA       LEU   9   5.849   3.228  -6.281
   68    HB2  LEU   9           HB1      LEU   9   6.560   2.805  -3.384
   69    HB3  LEU   9           HB2      LEU   9   5.952   1.567  -4.463
   70    HG   LEU   9           HG       LEU   9   8.549   3.048  -4.885
   71   HD11  LEU   9          HD21      LEU   9   9.630   0.993  -4.122
   72   HD12  LEU   9          HD22      LEU   9   8.052   0.316  -3.723
   73   HD13  LEU   9          HD23      LEU   9   8.651   1.726  -2.851
   74   HD21  LEU   9          HD11      LEU   9   7.400   0.583  -6.187
   75   HD22  LEU   9          HD12      LEU   9   9.007   1.249  -6.482
   76   HD23  LEU   9          HD13      LEU   9   7.573   2.171  -6.933
   77    H    LEU  10           HN       LEU  10   4.562   5.688  -4.964
   78    HA   LEU  10           HA       LEU  10   2.541   5.221  -3.253
   79    HB2  LEU  10           HB1      LEU  10   2.382   6.808  -5.812
   80    HB3  LEU  10           HB2      LEU  10   1.215   6.912  -4.509
   81    HG   LEU  10           HG       LEU  10   3.112   7.647  -3.011
   82   HD11  LEU  10          HD21      LEU  10   5.114   7.101  -3.960
   83   HD12  LEU  10          HD22      LEU  10   4.963   8.774  -4.507
   84   HD13  LEU  10          HD23      LEU  10   4.554   7.452  -5.600
   85   HD21  LEU  10          HD11      LEU  10   3.087   9.946  -3.841
   86   HD22  LEU  10          HD12      LEU  10   1.483   9.215  -3.910
   87   HD23  LEU  10          HD13      LEU  10   2.440   9.380  -5.382
   88    H    SER  11           HN       SER  11   1.982   5.003  -6.767
   89    HA   SER  11           HA       SER  11  -0.385   3.413  -6.372
   90    HB2  SER  11           HB1      SER  11  -0.221   5.038  -8.230
   91    HB3  SER  11           HB2      SER  11   1.094   4.093  -8.929
   92    HG   SER  11           HG       SER  11  -1.073   3.690  -9.792
   93    H    ARG  12           HN       ARG  12   2.261   2.435  -5.482
   94    HA   ARG  12           HA       ARG  12   2.178  -0.186  -6.779
   95    HB2  ARG  12           HB2      ARG  12   4.692   1.362  -6.119
   96    HB3  ARG  12           HB1      ARG  12   4.646  -0.290  -6.724
   97    HG2  ARG  12           HG2      ARG  12   3.781   0.428  -8.827
   98    HG3  ARG  12           HG1      ARG  12   3.539   2.069  -8.226
   99    HD2  ARG  12           HD1      ARG  12   5.960   2.316  -7.936
  100    HD3  ARG  12           HD2      ARG  12   6.196   0.678  -8.546
  101    HE   ARG  12           HE       ARG  12   4.755   2.137 -10.452
  102   HH11  ARG  12          HH11      ARG  12   8.725   2.662 -10.437
  103   HH12  ARG  12          HH12      ARG  12   7.934   2.033  -9.030
  104   HH21  ARG  12          HH21      ARG  12   5.788   2.964 -12.308
  105   HH22  ARG  12          HH22      ARG  12   7.505   3.191 -12.301
  106    H    VAL  13           HN       VAL  13   1.646   1.403  -4.075
  107    HA   VAL  13           HA       VAL  13   3.144  -0.168  -2.183
  108    HB   VAL  13           HB       VAL  13   0.782   1.624  -1.622
  109   HG11  VAL  13          HG11      VAL  13   1.863   1.816   0.612
  110   HG12  VAL  13          HG12      VAL  13   2.992   0.555   0.118
  111   HG13  VAL  13          HG13      VAL  13   1.268   0.199   0.231
  112   HG21  VAL  13          HG21      VAL  13   2.481   3.350  -1.065
  113   HG22  VAL  13          HG22      VAL  13   2.417   2.943  -2.778
  114   HG23  VAL  13          HG23      VAL  13   3.713   2.304  -1.768
  115    H    ASN  14           HN       ASN  14   0.550  -0.781  -4.073
  116    HA   ASN  14           HA       ASN  14  -1.135  -2.309  -4.094
  117    HB2  ASN  14           HB1      ASN  14   0.658  -3.692  -2.088
  118    HB3  ASN  14           HB2      ASN  14  -0.675  -4.450  -2.953
  119   HD21  ASN  14          HD21      ASN  14   2.906  -3.826  -4.747
  120   HD22  ASN  14          HD22      ASN  14   2.537  -3.159  -3.197
  121    H    ARG  15           HN       ARG  15  -2.748  -1.003  -3.219
  122    HA   ARG  15           HA       ARG  15  -3.188  -1.170  -0.328
  123    HB2  ARG  15           HB1      ARG  15  -4.525   0.566  -2.412
  124    HB3  ARG  15           HB2      ARG  15  -4.840   0.627  -0.683
  125    HG2  ARG  15           HG2      ARG  15  -2.532   1.309  -0.280
  126    HG3  ARG  15           HG1      ARG  15  -2.210   1.243  -2.014
  127    HD2  ARG  15           HD2      ARG  15  -4.204   3.046  -0.648
  128    HD3  ARG  15           HD1      ARG  15  -2.629   3.532  -1.274
  129    HE   ARG  15           HE       ARG  15  -4.078   2.349  -3.353
  130   HH11  ARG  15          HH11      ARG  15  -4.161   5.200  -1.351
  131   HH12  ARG  15          HH12      ARG  15  -4.939   6.177  -2.551
  132   HH21  ARG  15          HH21      ARG  15  -5.103   3.628  -4.939
  133   HH22  ARG  15          HH22      ARG  15  -5.474   5.283  -4.590
  134    H    HIS  16           HN       HIS  16  -5.193  -1.310  -3.279
  135    HA   HIS  16           HA       HIS  16  -7.180  -2.895  -1.879
  136    HB2  HIS  16           HB2      HIS  16  -8.467  -2.710  -3.985
  137    HB3  HIS  16           HB1      HIS  16  -7.965  -1.140  -3.366
  138    HD1  HIS  16           HD1      HIS  16  -6.391   0.250  -4.806
  139    HD2  HIS  16           HD2      HIS  16  -7.153  -3.527  -6.365
  140    HE1  HIS  16           HE1      HIS  16  -5.469   0.290  -7.146
  141    HE2  HIS  16           HE2      HIS  16  -5.940  -2.007  -8.071
  142    H    SER  17           HN       SER  17  -4.349  -3.772  -2.892
  143    HA   SER  17           HA       SER  17  -4.686  -5.775  -4.818
  144    HB2  SER  17           HB1      SER  17  -2.561  -6.698  -3.959
  145    HB3  SER  17           HB2      SER  17  -2.477  -4.948  -4.161
  146    HG   SER  17           HG       SER  17  -3.290  -5.213  -1.746
  147    H    THR  18           HN       THR  18  -5.495  -7.774  -4.764
  148    HA   THR  18           HA       THR  18  -6.532  -9.660  -4.029
  149    HB   THR  18           HB       THR  18  -4.958  -9.193  -1.487
  150    HG1  THR  18           HG1      THR  18  -4.185  -9.898  -3.976
  151   HG21  THR  18          HG21      THR  18  -6.780 -10.790  -1.180
  152   HG22  THR  18          HG22      THR  18  -5.221 -11.613  -1.157
  153   HG23  THR  18          HG23      THR  18  -6.240 -11.695  -2.594
  154    H    ALA  19           HN       ALA  19  -8.650  -9.095  -3.931
  155    HA   ALA  19           HA       ALA  19  -9.663  -7.675  -1.594
  156    HB1  ALA  19           HB1      ALA  19 -11.764  -7.540  -2.820
  157    HB2  ALA  19           HB2      ALA  19 -11.104  -8.576  -4.087
  158    HB3  ALA  19           HB3      ALA  19 -10.421  -6.973  -3.813
  159    H    ILE  20           HN       ILE  20 -11.592  -8.474  -0.480
  160    HA   ILE  20           HA       ILE  20 -11.317 -11.296   0.124
  161    HB   ILE  20           HB       ILE  20 -13.167  -9.251   1.358
  162   HG12  ILE  20          HG12      ILE  20 -10.816  -8.634   1.667
  163   HG13  ILE  20          HG11      ILE  20 -11.527  -9.157   3.190
  164   HG21  ILE  20          HG21      ILE  20 -13.945 -11.520   1.700
  165   HG22  ILE  20          HG22      ILE  20 -13.322 -10.860   3.212
  166   HG23  ILE  20          HG23      ILE  20 -12.352 -12.003   2.284
  167   HD11  ILE  20          HD11      ILE  20 -10.458 -11.336   2.941
  168   HD12  ILE  20          HD12      ILE  20  -9.281 -10.022   2.929
  169   HD13  ILE  20          HD13      ILE  20  -9.742 -10.807   1.419
  170    H    GLY  21           HN       GLY  21 -12.689 -12.878  -0.455
  171    HA2  GLY  21           HA1      GLY  21 -15.377 -12.837  -0.863
  172    HA3  GLY  21           HA2      GLY  21 -14.729 -12.287  -2.402
  173    H    ARG  22           HN       ARG  22 -15.613 -14.147  -3.412
  174    HA   ARG  22           HA       ARG  22 -14.426 -16.718  -2.668
  175    HB2  ARG  22           HB2      ARG  22 -16.867 -16.629  -2.990
  176    HB3  ARG  22           HB1      ARG  22 -16.626 -16.089  -4.646
  177    HG2  ARG  22           HG1      ARG  22 -17.155 -18.433  -4.628
  178    HG3  ARG  22           HG2      ARG  22 -15.481 -18.213  -5.144
  179    HD2  ARG  22           HD2      ARG  22 -15.692 -20.078  -3.580
  180    HD3  ARG  22           HD1      ARG  22 -14.701 -18.782  -2.909
  181    HE   ARG  22           HE       ARG  22 -17.402 -18.485  -2.115
  182   HH11  ARG  22          HH11      ARG  22 -14.554 -20.395  -1.503
  183   HH12  ARG  22          HH12      ARG  22 -14.995 -20.766   0.130
  184   HH21  ARG  22          HH21      ARG  22 -16.949 -19.954   1.004
  185   HH22  ARG  22          HH22      ARG  22 -17.993 -18.967   0.034
  Start of MODEL    9
    1    H1   ACE   0           HA1      ACE   0   3.776   0.491  12.806
    2    H2   ACE   0           HA2      ACE   0   3.349  -0.943  11.875
    3    H3   ACE   0           HA3      ACE   0   2.068  -0.027  12.668
    4    H    MET   1           HN       MET   1   4.817   1.330  10.949
    5    HA   MET   1           HA       MET   1   2.944   2.703   9.174
    6    HB2  MET   1           HB2      MET   1   4.894   4.118   8.590
    7    HB3  MET   1           HB1      MET   1   4.538   4.125  10.310
    8    HG2  MET   1           HG2      MET   1   6.342   2.476  10.652
    9    HG3  MET   1           HG1      MET   1   6.728   2.587   8.935
   10    HE1  MET   1           HE1      MET   1   9.260   3.178   9.541
   11    HE2  MET   1           HE2      MET   1   8.860   3.046  11.254
   12    HE3  MET   1           HE3      MET   1   9.714   4.468  10.655
   13    H    ASN   2           HN       ASN   2   2.642   2.076   7.140
   14    HA   ASN   2           HA       ASN   2   4.712   0.403   5.875
   15    HB2  ASN   2           HB1      ASN   2   2.554  -0.790   6.488
   16    HB3  ASN   2           HB2      ASN   2   1.757   0.217   5.283
   17   HD21  ASN   2          HD21      ASN   2   2.392   0.000   3.073
   18   HD22  ASN   2          HD22      ASN   2   3.098  -1.470   2.506
   19    H    TRP   3           HN       TRP   3   3.598   3.407   5.823
   20    HA   TRP   3           HA       TRP   3   2.715   4.016   3.288
   21    HB2  TRP   3           HB2      TRP   3   3.788   6.219   3.554
   22    HB3  TRP   3           HB1      TRP   3   2.895   5.732   4.999
   23    HD1  TRP   3           HD1      TRP   3   4.297   5.245   7.176
   24    HE1  TRP   3           HE1      TRP   3   6.710   5.824   7.866
   25    HE3  TRP   3           HE3      TRP   3   6.158   6.370   2.591
   26    HZ2  TRP   3           HZ2      TRP   3   9.088   6.648   6.594
   27    HZ3  TRP   3           HZ3      TRP   3   8.521   7.037   2.392
   28    HH2  TRP   3           HH2      TRP   3   9.960   7.169   4.361
   29    H    THR   4           HN       THR   4   5.776   2.838   4.275
   30    HA   THR   4           HA       THR   4   7.642   3.750   2.608
   31    HB   THR   4           HB       THR   4   7.157   0.784   2.941
   32    HG1  THR   4           HG1      THR   4   8.546   2.632   4.614
   33   HG21  THR   4          HG21      THR   4   8.858   1.326   1.272
   34   HG22  THR   4          HG22      THR   4   9.594   0.612   2.708
   35   HG23  THR   4          HG23      THR   4   9.690   2.353   2.441
   36    H    GLY   5           HN       GLY   5   6.812   4.584   0.717
   37    HA2  GLY   5           HA1      GLY   5   7.037   3.706  -1.677
   38    HA3  GLY   5           HA2      GLY   5   5.681   2.679  -1.216
   39    H    LEU   6           HN       LEU   6   5.975   5.914  -0.001
   40    HA   LEU   6           HA       LEU   6   3.629   6.706  -1.580
   41    HB2  LEU   6           HB2      LEU   6   2.876   7.894   0.214
   42    HB3  LEU   6           HB1      LEU   6   3.788   6.662   1.052
   43    HG   LEU   6           HG       LEU   6   4.447   9.570   0.703
   44   HD11  LEU   6          HD21      LEU   6   4.631   7.807   3.132
   45   HD12  LEU   6          HD22      LEU   6   3.153   8.653   2.667
   46   HD13  LEU   6          HD23      LEU   6   4.608   9.569   3.061
   47   HD21  LEU   6          HD11      LEU   6   6.368   7.325   1.044
   48   HD22  LEU   6          HD12      LEU   6   6.635   8.812   1.952
   49   HD23  LEU   6          HD13      LEU   6   6.559   8.857   0.190
   50    H    TYR   7           HN       TYR   7   6.636   6.825  -2.122
   51    HA   TYR   7           HA       TYR   7   6.703   9.623  -2.948
   52    HB2  TYR   7           HB2      TYR   7   9.205   9.528  -2.525
   53    HB3  TYR   7           HB1      TYR   7   8.169   9.553  -1.103
   54    HD1  TYR   7           HD1      TYR   7   7.364   6.986  -0.499
   55    HD2  TYR   7           HD2      TYR   7  11.045   8.139  -2.294
   56    HE1  TYR   7           HE1      TYR   7   8.369   4.935   0.283
   57    HE2  TYR   7           HE2      TYR   7  12.087   6.058  -1.486
   58    HH   TYR   7           HH       TYR   7  10.271   3.461  -0.254
   59    H    THR   8           HN       THR   8   8.437   6.543  -3.465
   60    HA   THR   8           HA       THR   8   8.695   7.281  -6.309
   61    HB   THR   8           HB       THR   8  10.591   5.703  -6.395
   62    HG1  THR   8           HG1      THR   8   9.649   4.637  -4.337
   63   HG21  THR   8          HG21      THR   8  10.804   7.828  -4.258
   64   HG22  THR   8          HG22      THR   8  11.069   8.049  -5.988
   65   HG23  THR   8          HG23      THR   8  12.173   7.046  -5.047
   66    H    LEU   9           HN       LEU   9   6.492   5.774  -4.798
   67    HA   LEU   9           HA       LEU   9   6.332   3.593  -6.720
   68    HB2  LEU   9           HB2      LEU   9   5.972   3.251  -3.759
   69    HB3  LEU   9           HB1      LEU   9   5.550   2.039  -4.955
   70    HG   LEU   9           HG       LEU   9   8.344   3.127  -4.634
   71   HD11  LEU   9          HD21      LEU   9   7.703   2.087  -2.553
   72   HD12  LEU   9          HD22      LEU   9   8.845   1.060  -3.418
   73   HD13  LEU   9          HD23      LEU   9   7.127   0.661  -3.414
   74   HD21  LEU   9          HD11      LEU   9   8.955   1.074  -5.841
   75   HD22  LEU   9          HD12      LEU   9   7.902   2.122  -6.790
   76   HD23  LEU   9          HD13      LEU   9   7.243   0.683  -6.011
   77    H    LEU  10           HN       LEU  10   4.632   5.036  -4.026
   78    HA   LEU  10           HA       LEU  10   2.391   5.325  -3.620
   79    HB2  LEU  10           HB2      LEU  10   2.756   6.605  -6.321
   80    HB3  LEU  10           HB1      LEU  10   1.386   6.888  -5.262
   81    HG   LEU  10           HG       LEU  10   3.003   7.724  -3.532
   82   HD11  LEU  10          HD21      LEU  10   5.215   8.517  -4.575
   83   HD12  LEU  10          HD22      LEU  10   4.918   7.265  -5.781
   84   HD13  LEU  10          HD23      LEU  10   5.071   6.830  -4.076
   85   HD21  LEU  10          HD11      LEU  10   2.962   9.185  -6.169
   86   HD22  LEU  10          HD12      LEU  10   3.324   9.902  -4.599
   87   HD23  LEU  10          HD13      LEU  10   1.715   9.256  -4.924
   88    H    SER  11           HN       SER  11   1.900   5.126  -7.102
   89    HA   SER  11           HA       SER  11  -0.347   3.426  -6.822
   90    HB2  SER  11           HB2      SER  11  -0.110   4.990  -8.703
   91    HB3  SER  11           HB1      SER  11   1.273   4.071  -9.298
   92    HG   SER  11           HG       SER  11  -1.212   2.814  -8.885
   93    H    ARG  12           HN       ARG  12   2.795   2.681  -6.388
   94    HA   ARG  12           HA       ARG  12   2.560  -0.022  -7.519
   95    HB2  ARG  12           HB1      ARG  12   5.055   1.335  -6.488
   96    HB3  ARG  12           HB2      ARG  12   4.966  -0.169  -7.391
   97    HG2  ARG  12           HG2      ARG  12   4.257   1.003  -9.370
   98    HG3  ARG  12           HG1      ARG  12   4.170   2.524  -8.477
   99    HD2  ARG  12           HD2      ARG  12   6.219   2.444  -9.762
  100    HD3  ARG  12           HD1      ARG  12   6.589   2.385  -8.039
  101    HE   ARG  12           HE       ARG  12   6.401  -0.237  -9.030
  102   HH11  ARG  12          HH11      ARG  12   8.460   2.567  -9.230
  103   HH12  ARG  12          HH12      ARG  12   9.897   1.649  -9.534
  104   HH21  ARG  12          HH21      ARG  12   8.288  -1.453  -9.430
  105   HH22  ARG  12          HH22      ARG  12   9.799  -0.636  -9.648
  106    H    VAL  13           HN       VAL  13   1.565   1.263  -4.898
  107    HA   VAL  13           HA       VAL  13   2.654  -0.797  -3.101
  108    HB   VAL  13           HB       VAL  13   1.616   1.888  -2.211
  109   HG11  VAL  13          HG11      VAL  13   3.185  -0.276  -0.832
  110   HG12  VAL  13          HG12      VAL  13   1.536   0.241  -0.481
  111   HG13  VAL  13          HG13      VAL  13   2.890   1.326  -0.154
  112   HG21  VAL  13          HG21      VAL  13   4.456   1.042  -2.758
  113   HG22  VAL  13          HG22      VAL  13   3.995   2.503  -1.886
  114   HG23  VAL  13          HG23      VAL  13   3.547   2.310  -3.580
  115    H    ASN  14           HN       ASN  14   0.968  -2.229  -3.627
  116    HA   ASN  14           HA       ASN  14  -1.748  -1.675  -3.661
  117    HB2  ASN  14           HB2      ASN  14  -1.904  -4.170  -2.861
  118    HB3  ASN  14           HB1      ASN  14  -1.260  -3.788  -4.454
  119   HD21  ASN  14          HD21      ASN  14   1.727  -4.403  -1.775
  120   HD22  ASN  14          HD22      ASN  14   0.547  -3.166  -1.541
  121    H    ARG  15           HN       ARG  15  -2.525  -0.379  -2.071
  122    HA   ARG  15           HA       ARG  15  -1.891  -0.419   0.623
  123    HB2  ARG  15           HB2      ARG  15  -3.159   1.388  -0.457
  124    HB3  ARG  15           HB1      ARG  15  -4.541   0.314  -0.637
  125    HG2  ARG  15           HG1      ARG  15  -4.744   0.152   1.786
  126    HG3  ARG  15           HG2      ARG  15  -3.343   1.207   1.979
  127    HD2  ARG  15           HD1      ARG  15  -4.540   3.003   0.824
  128    HD3  ARG  15           HD2      ARG  15  -5.941   1.949   0.638
  129    HE   ARG  15           HE       ARG  15  -5.350   2.040   3.347
  130   HH11  ARG  15          HH11      ARG  15  -7.202   5.291   1.922
  131   HH12  ARG  15          HH12      ARG  15  -6.347   4.245   0.840
  132   HH21  ARG  15          HH21      ARG  15  -6.472   3.413   4.780
  133   HH22  ARG  15          HH22      ARG  15  -7.274   4.819   4.162
  134    H    HIS  16           HN       HIS  16  -4.228  -2.354  -1.157
  135    HA   HIS  16           HA       HIS  16  -5.059  -3.677   1.322
  136    HB2  HIS  16           HB1      HIS  16  -6.179  -3.896  -1.480
  137    HB3  HIS  16           HB2      HIS  16  -6.829  -4.706  -0.060
  138    HD1  HIS  16           HD1      HIS  16  -6.902  -1.519  -1.889
  139    HD2  HIS  16           HD2      HIS  16  -8.024  -2.923   1.858
  140    HE1  HIS  16           HE1      HIS  16  -8.433   0.237  -0.944
  141    HE2  HIS  16           HE2      HIS  16  -9.102  -0.633   1.324
  142    H    SER  17           HN       SER  17  -4.797  -5.058  -1.929
  143    HA   SER  17           HA       SER  17  -2.587  -6.757  -1.194
  144    HB2  SER  17           HB1      SER  17  -5.325  -7.969  -1.647
  145    HB3  SER  17           HB2      SER  17  -3.819  -8.880  -1.529
  146    HG   SER  17           HG       SER  17  -3.659  -8.366   0.588
  147    H    THR  18           HN       THR  18  -5.268  -7.338  -3.447
  148    HA   THR  18           HA       THR  18  -3.749  -6.409  -5.715
  149    HB   THR  18           HB       THR  18  -4.372  -9.361  -5.488
  150    HG1  THR  18           HG1      THR  18  -2.504  -8.753  -4.307
  151   HG21  THR  18          HG21      THR  18  -3.047  -7.785  -7.699
  152   HG22  THR  18          HG22      THR  18  -4.647  -8.523  -7.767
  153   HG23  THR  18          HG23      THR  18  -3.211  -9.540  -7.645
  154    H    ALA  19           HN       ALA  19  -6.281  -8.878  -5.267
  155    HA   ALA  19           HA       ALA  19  -8.231  -7.068  -6.488
  156    HB1  ALA  19           HB1      ALA  19  -8.995  -8.776  -8.047
  157    HB2  ALA  19           HB2      ALA  19  -7.736  -9.873  -7.480
  158    HB3  ALA  19           HB3      ALA  19  -7.296  -8.390  -8.327
  159    H    ILE  20           HN       ILE  20 -10.442  -8.419  -6.594
  160    HA   ILE  20           HA       ILE  20 -10.827  -9.459  -3.868
  161    HB   ILE  20           HB       ILE  20 -12.899  -8.313  -5.746
  162   HG12  ILE  20          HG11      ILE  20 -11.658  -7.079  -3.276
  163   HG13  ILE  20          HG12      ILE  20 -11.231  -6.648  -4.929
  164   HG21  ILE  20          HG21      ILE  20 -14.352  -8.316  -3.769
  165   HG22  ILE  20          HG22      ILE  20 -13.076  -9.102  -2.840
  166   HG23  ILE  20          HG23      ILE  20 -13.825  -9.944  -4.198
  167   HD11  ILE  20          HD11      ILE  20 -13.933  -6.300  -3.652
  168   HD12  ILE  20          HD12      ILE  20 -13.519  -5.884  -5.315
  169   HD13  ILE  20          HD13      ILE  20 -12.754  -5.028  -3.975
  170    H    GLY  21           HN       GLY  21 -11.631 -11.460  -3.535
  171    HA2  GLY  21           HA2      GLY  21 -12.758 -13.448  -4.027
  172    HA3  GLY  21           HA1      GLY  21 -12.946 -12.904  -5.688
  173    H    ARG  22           HN       ARG  22 -11.596 -15.240  -3.917
  174    HA   ARG  22           HA       ARG  22  -9.796 -16.013  -6.011
  175    HB2  ARG  22           HB2      ARG  22  -8.365 -14.459  -4.742
  176    HB3  ARG  22           HB1      ARG  22  -8.645 -15.398  -3.282
  177    HG2  ARG  22           HG1      ARG  22  -7.539 -17.320  -4.292
  178    HG3  ARG  22           HG2      ARG  22  -7.275 -16.394  -5.772
  179    HD2  ARG  22           HD1      ARG  22  -5.266 -16.435  -4.390
  180    HD3  ARG  22           HD2      ARG  22  -5.904 -14.798  -4.539
  181    HE   ARG  22           HE       ARG  22  -6.923 -16.031  -2.211
  182   HH11  ARG  22          HH11      ARG  22  -3.385 -14.173  -1.961
  183   HH12  ARG  22          HH12      ARG  22  -4.003 -14.641  -3.509
  184   HH21  ARG  22          HH21      ARG  22  -6.117 -15.419  -0.168
  185   HH22  ARG  22          HH22      ARG  22  -4.587 -14.614  -0.062
  Start of MODEL   10
    1    H1   ACE   0           HA1      ACE   0   2.384   0.184  12.568
    2    H2   ACE   0           HA2      ACE   0   2.886   1.521  13.599
    3    H3   ACE   0           HA3      ACE   0   4.117   0.585  12.755
    4    H    MET   1           HN       MET   1   4.668   1.106  10.724
    5    HA   MET   1           HA       MET   1   2.990   2.958   9.218
    6    HB2  MET   1           HB2      MET   1   4.972   4.398   8.709
    7    HB3  MET   1           HB1      MET   1   4.436   4.479  10.380
    8    HG2  MET   1           HG2      MET   1   6.703   2.738   9.459
    9    HG3  MET   1           HG1      MET   1   6.915   4.393  10.023
   10    HE1  MET   1           HE1      MET   1   8.298   2.244  13.001
   11    HE2  MET   1           HE2      MET   1   8.653   3.538  11.855
   12    HE3  MET   1           HE3      MET   1   8.432   1.885  11.280
   13    H    ASN   2           HN       ASN   2   2.761   2.180   7.240
   14    HA   ASN   2           HA       ASN   2   5.030   0.756   6.016
   15    HB2  ASN   2           HB1      ASN   2   2.984  -0.662   6.793
   16    HB3  ASN   2           HB2      ASN   2   2.190   0.022   5.378
   17   HD21  ASN   2          HD21      ASN   2   4.813   0.105   3.929
   18   HD22  ASN   2          HD22      ASN   2   5.083  -1.523   3.427
   19    H    TRP   3           HN       TRP   3   3.956   3.571   5.854
   20    HA   TRP   3           HA       TRP   3   2.745   3.944   3.337
   21    HB2  TRP   3           HB2      TRP   3   3.597   6.266   3.480
   22    HB3  TRP   3           HB1      TRP   3   2.734   5.755   4.932
   23    HD1  TRP   3           HD1      TRP   3   4.119   5.566   7.151
   24    HE1  TRP   3           HE1      TRP   3   6.436   6.436   7.856
   25    HE3  TRP   3           HE3      TRP   3   6.009   6.570   2.543
   26    HZ2  TRP   3           HZ2      TRP   3   8.756   7.418   6.590
   27    HZ3  TRP   3           HZ3      TRP   3   8.291   7.467   2.360
   28    HH2  TRP   3           HH2      TRP   3   9.641   7.875   4.350
   29    H    THR   4           HN       THR   4   5.930   3.224   4.326
   30    HA   THR   4           HA       THR   4   7.683   4.266   2.654
   31    HB   THR   4           HB       THR   4   7.493   1.278   3.086
   32    HG1  THR   4           HG1      THR   4   8.018   3.351   4.778
   33   HG21  THR   4          HG21      THR   4   9.932   1.313   2.799
   34   HG22  THR   4          HG22      THR   4   9.862   3.040   2.442
   35   HG23  THR   4          HG23      THR   4   9.105   1.882   1.348
   36    H    GLY   5           HN       GLY   5   6.694   4.987   0.738
   37    HA2  GLY   5           HA1      GLY   5   7.181   3.784  -1.598
   38    HA3  GLY   5           HA2      GLY   5   5.660   3.033  -1.136
   39    H    LEU   6           HN       LEU   6   5.355   5.961   0.194
   40    HA   LEU   6           HA       LEU   6   3.644   6.919  -1.897
   41    HB2  LEU   6           HB1      LEU   6   3.427   8.910  -0.321
   42    HB3  LEU   6           HB2      LEU   6   2.837   7.356   0.231
   43    HG   LEU   6           HG       LEU   6   4.998   7.069   1.471
   44   HD11  LEU   6          HD11      LEU   6   6.377   8.630   0.223
   45   HD12  LEU   6          HD12      LEU   6   6.342   9.057   1.934
   46   HD13  LEU   6          HD13      LEU   6   5.377   9.975   0.776
   47   HD21  LEU   6          HD21      LEU   6   2.947   7.800   2.588
   48   HD22  LEU   6          HD22      LEU   6   3.381   9.479   2.260
   49   HD23  LEU   6          HD23      LEU   6   4.395   8.495   3.321
   50    H    TYR   7           HN       TYR   7   6.720   6.877  -2.096
   51    HA   TYR   7           HA       TYR   7   6.925   9.544  -3.257
   52    HB2  TYR   7           HB1      TYR   7   9.326   9.598  -2.491
   53    HB3  TYR   7           HB2      TYR   7   8.120   9.734  -1.215
   54    HD1  TYR   7           HD1      TYR   7   7.311   7.227  -0.435
   55    HD2  TYR   7           HD2      TYR   7  11.161   8.322  -1.882
   56    HE1  TYR   7           HE1      TYR   7   8.264   5.319   0.683
   57    HE2  TYR   7           HE2      TYR   7  12.145   6.383  -0.727
   58    HH   TYR   7           HH       TYR   7  11.607   4.899   1.165
   59    H    THR   8           HN       THR   8   7.669   6.173  -3.439
   60    HA   THR   8           HA       THR   8   8.600   6.561  -6.181
   61    HB   THR   8           HB       THR   8  10.480   5.047  -5.938
   62    HG1  THR   8           HG1      THR   8   9.302   4.098  -3.925
   63   HG21  THR   8          HG21      THR   8  10.513   7.257  -3.878
   64   HG22  THR   8          HG22      THR   8  10.975   7.391  -5.574
   65   HG23  THR   8          HG23      THR   8  11.942   6.411  -4.473
   66    H    LEU   9           HN       LEU   9   6.470   5.142  -4.249
   67    HA   LEU   9           HA       LEU   9   6.111   2.894  -6.075
   68    HB2  LEU   9           HB2      LEU   9   6.018   2.599  -3.081
   69    HB3  LEU   9           HB1      LEU   9   5.636   1.348  -4.245
   70    HG   LEU   9           HG       LEU   9   8.355   2.633  -3.977
   71   HD11  LEU   9          HD21      LEU   9   7.351  -0.000  -2.918
   72   HD12  LEU   9          HD22      LEU   9   7.788   1.411  -1.955
   73   HD13  LEU   9          HD23      LEU   9   9.023   0.556  -2.879
   74   HD21  LEU   9          HD11      LEU   9   7.457   0.156  -5.445
   75   HD22  LEU   9          HD12      LEU   9   9.106   0.775  -5.350
   76   HD23  LEU   9          HD13      LEU   9   7.863   1.701  -6.192
   77    H    LEU  10           HN       LEU  10   4.820   5.566  -4.975
   78    HA   LEU  10           HA       LEU  10   2.312   5.022  -3.952
   79    HB2  LEU  10           HB1      LEU  10   1.691   7.128  -5.445
   80    HB3  LEU  10           HB2      LEU  10   2.628   7.258  -3.970
   81    HG   LEU  10           HG       LEU  10   4.081   6.899  -6.553
   82   HD11  LEU  10          HD11      LEU  10   2.444   8.636  -7.040
   83   HD12  LEU  10          HD12      LEU  10   4.068   9.314  -6.915
   84   HD13  LEU  10          HD13      LEU  10   2.928   9.508  -5.585
   85   HD21  LEU  10          HD21      LEU  10   5.016   7.034  -4.092
   86   HD22  LEU  10          HD22      LEU  10   4.836   8.768  -4.366
   87   HD23  LEU  10          HD23      LEU  10   5.857   7.809  -5.435
   88    H    SER  11           HN       SER  11   0.314   4.520  -4.812
   89    HA   SER  11           HA       SER  11  -1.159   3.499  -6.221
   90    HB2  SER  11           HB2      SER  11  -0.884   5.549  -7.568
   91    HB3  SER  11           HB1      SER  11   0.504   4.826  -8.382
   92    HG   SER  11           HG       SER  11  -1.917   3.430  -8.391
   93    H    ARG  12           HN       ARG  12   1.786   2.579  -5.712
   94    HA   ARG  12           HA       ARG  12   1.608   0.177  -7.376
   95    HB2  ARG  12           HB1      ARG  12   3.299   1.510  -8.428
   96    HB3  ARG  12           HB2      ARG  12   4.027   1.915  -6.884
   97    HG2  ARG  12           HG2      ARG  12   4.574  -0.552  -6.659
   98    HG3  ARG  12           HG1      ARG  12   4.137  -0.690  -8.363
   99    HD2  ARG  12           HD1      ARG  12   5.810   1.037  -8.904
  100    HD3  ARG  12           HD2      ARG  12   6.270   1.106  -7.202
  101    HE   ARG  12           HE       ARG  12   6.494  -1.545  -8.039
  102   HH11  ARG  12          HH11      ARG  12   7.970   1.544  -8.687
  103   HH12  ARG  12          HH12      ARG  12   9.508   0.866  -9.104
  104   HH21  ARG  12          HH21      ARG  12   8.515  -2.445  -8.587
  105   HH22  ARG  12          HH22      ARG  12   9.818  -1.401  -9.048
  106    H    VAL  13           HN       VAL  13   1.694   1.513  -4.381
  107    HA   VAL  13           HA       VAL  13   3.322  -0.338  -2.962
  108    HB   VAL  13           HB       VAL  13   1.073   1.329  -1.841
  109   HG11  VAL  13          HG11      VAL  13   2.460   1.250   0.222
  110   HG12  VAL  13          HG12      VAL  13   3.508   0.083  -0.587
  111   HG13  VAL  13          HG13      VAL  13   1.817  -0.316  -0.276
  112   HG21  VAL  13          HG21      VAL  13   2.842   2.996  -1.318
  113   HG22  VAL  13          HG22      VAL  13   2.522   2.812  -3.042
  114   HG23  VAL  13          HG23      VAL  13   3.952   2.068  -2.326
  115    H    ASN  14           HN       ASN  14   0.443  -0.723  -4.496
  116    HA   ASN  14           HA       ASN  14  -1.234  -2.263  -4.457
  117    HB2  ASN  14           HB2      ASN  14   0.889  -3.860  -3.010
  118    HB3  ASN  14           HB1      ASN  14  -0.601  -4.536  -3.662
  119   HD21  ASN  14          HD21      ASN  14   2.554  -3.716  -6.058
  120   HD22  ASN  14          HD22      ASN  14   2.530  -3.268  -4.391
  121    H    ARG  15           HN       ARG  15  -0.882  -0.386  -2.137
  122    HA   ARG  15           HA       ARG  15  -1.703  -1.715   0.226
  123    HB2  ARG  15           HB2      ARG  15  -0.632   0.475   0.295
  124    HB3  ARG  15           HB1      ARG  15  -1.983   1.185  -0.579
  125    HG2  ARG  15           HG2      ARG  15  -3.467   0.680   1.290
  126    HG3  ARG  15           HG1      ARG  15  -2.118  -0.047   2.166
  127    HD2  ARG  15           HD2      ARG  15  -2.539   2.233   2.927
  128    HD3  ARG  15           HD1      ARG  15  -0.954   2.096   2.170
  129    HE   ARG  15           HE       ARG  15  -2.796   2.902   0.225
  130   HH11  ARG  15          HH11      ARG  15  -1.385   5.774   2.631
  131   HH12  ARG  15          HH12      ARG  15  -1.295   4.117   3.124
  132   HH21  ARG  15          HH21      ARG  15  -2.918   5.083  -0.434
  133   HH22  ARG  15          HH22      ARG  15  -2.307   6.324   0.609
  134    H    HIS  16           HN       HIS  16  -3.606   0.638  -1.658
  135    HA   HIS  16           HA       HIS  16  -5.831   0.794  -2.101
  136    HB2  HIS  16           HB2      HIS  16  -5.711  -2.219  -1.861
  137    HB3  HIS  16           HB1      HIS  16  -7.058  -1.310  -2.539
  138    HD1  HIS  16           HD1      HIS  16  -3.479  -2.231  -3.254
  139    HD2  HIS  16           HD2      HIS  16  -6.745  -0.510  -5.163
  140    HE1  HIS  16           HE1      HIS  16  -2.837  -2.082  -5.681
  141    HE2  HIS  16           HE2      HIS  16  -4.827  -1.036  -6.818
  142    H    SER  17           HN       SER  17  -8.065  -0.502  -1.202
  143    HA   SER  17           HA       SER  17  -8.485   0.620   1.313
  144    HB2  SER  17           HB1      SER  17 -10.582  -0.686   1.353
  145    HB3  SER  17           HB2      SER  17 -10.323   0.086  -0.212
  146    HG   SER  17           HG       SER  17 -10.756  -2.451   0.238
  147    H    THR  18           HN       THR  18  -8.270  -0.079   3.364
  148    HA   THR  18           HA       THR  18  -6.705  -2.457   3.826
  149    HB   THR  18           HB       THR  18  -6.184  -0.477   5.126
  150    HG1  THR  18           HG1      THR  18  -6.345  -2.801   6.084
  151   HG21  THR  18          HG21      THR  18  -8.982  -0.724   6.242
  152   HG22  THR  18          HG22      THR  18  -8.405   0.548   5.165
  153   HG23  THR  18          HG23      THR  18  -7.748   0.408   6.796
  154    H    ALA  19           HN       ALA  19  -7.294  -4.153   5.283
  155    HA   ALA  19           HA       ALA  19 -10.112  -4.436   5.959
  156    HB1  ALA  19           HB1      ALA  19  -8.695  -6.457   4.225
  157    HB2  ALA  19           HB2      ALA  19  -9.962  -5.350   3.694
  158    HB3  ALA  19           HB3      ALA  19 -10.327  -6.608   4.876
  159    H    ILE  20           HN       ILE  20 -10.274  -5.235   7.944
  160    HA   ILE  20           HA       ILE  20  -8.401  -7.262   8.873
  161    HB   ILE  20           HB       ILE  20  -7.311  -5.194   9.551
  162   HG12  ILE  20          HG12      ILE  20  -7.252  -5.585  12.015
  163   HG13  ILE  20          HG11      ILE  20  -8.635  -6.662  11.844
  164   HG21  ILE  20          HG21      ILE  20  -9.890  -4.559  10.978
  165   HG22  ILE  20          HG22      ILE  20  -9.244  -3.724   9.565
  166   HG23  ILE  20          HG23      ILE  20  -8.391  -3.638  11.106
  167   HD11  ILE  20          HD11      ILE  20  -5.931  -7.057  10.587
  168   HD12  ILE  20          HD12      ILE  20  -7.314  -8.139  10.428
  169   HD13  ILE  20          HD13      ILE  20  -6.555  -7.902  12.003
  170    H    GLY  21           HN       GLY  21  -9.284  -8.667  10.320
  171    HA2  GLY  21           HA1      GLY  21 -10.887  -9.718  11.583
  172    HA3  GLY  21           HA2      GLY  21 -11.465  -8.117  12.016
  173    H    ARG  22           HN       ARG  22 -11.345  -8.952   8.671
  174    HA   ARG  22           HA       ARG  22 -14.264  -8.908   8.583
  175    HB2  ARG  22           HB1      ARG  22 -12.247  -8.785   6.332
  176    HB3  ARG  22           HB2      ARG  22 -13.986  -8.583   6.164
  177    HG2  ARG  22           HG1      ARG  22 -12.263  -6.782   7.847
  178    HG3  ARG  22           HG2      ARG  22 -12.651  -6.468   6.155
  179    HD2  ARG  22           HD1      ARG  22 -14.196  -5.222   7.450
  180    HD3  ARG  22           HD2      ARG  22 -15.078  -6.600   6.793
  181    HE   ARG  22           HE       ARG  22 -14.076  -7.225   9.357
  182   HH11  ARG  22          HH11      ARG  22 -16.527  -5.316   7.780
  183   HH12  ARG  22          HH12      ARG  22 -17.613  -5.360   9.129
  184   HH21  ARG  22          HH21      ARG  22 -17.029  -6.484  11.037
  185   HH22  ARG  22          HH22      ARG  22 -15.500  -7.292  11.137
  Start of MODEL   11
    1    H1   ACE   0           HA1      ACE   0   8.403  -2.445  11.203
    2    H2   ACE   0           HA2      ACE   0   9.401  -3.014   9.868
    3    H3   ACE   0           HA3      ACE   0   7.894  -3.855  10.226
    4    H    MET   1           HN       MET   1   9.165  -0.673   9.304
    5    HA   MET   1           HA       MET   1   6.593   0.074   8.181
    6    HB2  MET   1           HB1      MET   1   9.223   1.528   8.441
    7    HB3  MET   1           HB2      MET   1   7.847   2.200   7.578
    8    HG2  MET   1           HG2      MET   1   7.890   3.117   9.777
    9    HG3  MET   1           HG1      MET   1   6.515   2.022   9.655
   10    HE1  MET   1           HE1      MET   1   7.630   1.632  13.395
   11    HE2  MET   1           HE2      MET   1   6.292   2.004  12.307
   12    HE3  MET   1           HE3      MET   1   7.666   3.103  12.425
   13    H    ASN   2           HN       ASN   2   6.099  -0.789   6.265
   14    HA   ASN   2           HA       ASN   2   8.201  -0.862   4.200
   15    HB2  ASN   2           HB2      ASN   2   7.077  -3.062   5.051
   16    HB3  ASN   2           HB1      ASN   2   5.723  -2.548   4.051
   17   HD21  ASN   2          HD21      ASN   2   7.623  -1.243   2.135
   18   HD22  ASN   2          HD22      ASN   2   8.267  -2.548   1.207
   19    H    TRP   3           HN       TRP   3   6.218   1.283   5.005
   20    HA   TRP   3           HA       TRP   3   4.340   1.479   2.869
   21    HB2  TRP   3           HB1      TRP   3   4.033   3.800   3.602
   22    HB3  TRP   3           HB2      TRP   3   3.927   2.667   4.948
   23    HD1  TRP   3           HD1      TRP   3   5.814   2.793   6.778
   24    HE1  TRP   3           HE1      TRP   3   7.538   4.607   7.383
   25    HE3  TRP   3           HE3      TRP   3   5.633   5.499   2.487
   26    HZ2  TRP   3           HZ2      TRP   3   8.657   6.891   6.159
   27    HZ3  TRP   3           HZ3      TRP   3   7.067   7.481   2.263
   28    HH2  TRP   3           HH2      TRP   3   8.559   8.159   4.068
   29    H    THR   4           HN       THR   4   7.641   1.832   3.021
   30    HA   THR   4           HA       THR   4   8.283   4.037   1.557
   31    HB   THR   4           HB       THR   4   9.554   1.305   1.256
   32    HG1  THR   4           HG1      THR   4   9.778   3.360   3.167
   33   HG21  THR   4          HG21      THR   4  11.548   2.511   0.559
   34   HG22  THR   4          HG22      THR   4  10.702   4.048   0.726
   35   HG23  THR   4          HG23      THR   4  10.203   2.898  -0.514
   36    H    GLY   5           HN       GLY   5   6.578   4.426   0.074
   37    HA2  GLY   5           HA1      GLY   5   6.933   4.012  -2.546
   38    HA3  GLY   5           HA2      GLY   5   6.117   2.531  -2.069
   39    H    LEU   6           HN       LEU   6   5.236   5.348  -0.297
   40    HA   LEU   6           HA       LEU   6   2.692   5.475  -1.771
   41    HB2  LEU   6           HB1      LEU   6   1.895   6.654   0.330
   42    HB3  LEU   6           HB2      LEU   6   2.243   4.943   0.474
   43    HG   LEU   6           HG       LEU   6   4.500   5.596   1.404
   44   HD11  LEU   6          HD11      LEU   6   4.611   7.885   0.617
   45   HD12  LEU   6          HD12      LEU   6   4.706   7.833   2.378
   46   HD13  LEU   6          HD13      LEU   6   3.200   8.307   1.588
   47   HD21  LEU   6          HD21      LEU   6   2.110   6.503   2.992
   48   HD22  LEU   6          HD22      LEU   6   3.676   5.990   3.632
   49   HD23  LEU   6          HD23      LEU   6   2.631   4.829   2.805
   50    H    TYR   7           HN       TYR   7   5.394   6.879  -2.143
   51    HA   TYR   7           HA       TYR   7   4.276   9.541  -2.512
   52    HB2  TYR   7           HB2      TYR   7   6.478  10.492  -1.720
   53    HB3  TYR   7           HB1      TYR   7   5.468   9.760  -0.476
   54    HD1  TYR   7           HD1      TYR   7   5.914   7.073  -0.331
   55    HD2  TYR   7           HD2      TYR   7   8.739  10.037  -1.492
   56    HE1  TYR   7           HE1      TYR   7   7.711   5.569   0.239
   57    HE2  TYR   7           HE2      TYR   7  10.580   8.519  -0.883
   58    HH   TYR   7           HH       TYR   7  10.951   6.563   0.565
   59    H    THR   8           HN       THR   8   7.176   7.555  -3.164
   60    HA   THR   8           HA       THR   8   7.395   8.904  -5.775
   61    HB   THR   8           HB       THR   8   9.767   8.099  -5.771
   62    HG1  THR   8           HG1      THR   8   9.196   6.489  -4.010
   63   HG21  THR   8          HG21      THR   8   8.892   9.908  -3.517
   64   HG22  THR   8          HG22      THR   8   9.285  10.388  -5.168
   65   HG23  THR   8          HG23      THR   8  10.550   9.768  -4.106
   66    H    LEU   9           HN       LEU   9   5.742   6.482  -5.059
   67    HA   LEU   9           HA       LEU   9   6.527   4.917  -7.355
   68    HB2  LEU   9           HB1      LEU   9   7.434   4.092  -4.884
   69    HB3  LEU   9           HB2      LEU   9   5.973   3.149  -5.107
   70    HG   LEU   9           HG       LEU   9   7.896   1.894  -5.876
   71   HD11  LEU   9          HD11      LEU   9   6.226   2.873  -8.184
   72   HD12  LEU   9          HD12      LEU   9   5.800   1.574  -7.070
   73   HD13  LEU   9          HD13      LEU   9   7.180   1.389  -8.153
   74   HD21  LEU   9          HD21      LEU   9   9.260   2.656  -7.749
   75   HD22  LEU   9          HD22      LEU   9   9.380   3.759  -6.378
   76   HD23  LEU   9          HD23      LEU   9   8.384   4.186  -7.770
   77    H    LEU  10           HN       LEU  10   4.469   4.929  -4.548
   78    HA   LEU  10           HA       LEU  10   2.248   4.640  -4.214
   79    HB2  LEU  10           HB2      LEU  10   1.778   5.470  -7.048
   80    HB3  LEU  10           HB1      LEU  10   0.814   5.810  -5.623
   81    HG   LEU  10           HG       LEU  10   3.405   7.082  -6.470
   82   HD11  LEU  10          HD11      LEU  10   0.710   8.207  -5.726
   83   HD12  LEU  10          HD12      LEU  10   1.356   8.047  -7.359
   84   HD13  LEU  10          HD13      LEU  10   2.121   9.146  -6.211
   85   HD21  LEU  10          HD21      LEU  10   3.387   8.290  -4.312
   86   HD22  LEU  10          HD22      LEU  10   3.710   6.564  -4.133
   87   HD23  LEU  10          HD23      LEU  10   2.113   7.210  -3.749
   88    H    SER  11           HN       SER  11   3.923   2.672  -6.154
   89    HA   SER  11           HA       SER  11   1.601   0.982  -6.796
   90    HB2  SER  11           HB1      SER  11   3.025   1.570  -8.741
   91    HB3  SER  11           HB2      SER  11   4.411   0.848  -7.926
   92    HG   SER  11           HG       SER  11   3.491  -1.143  -8.114
   93    H    ARG  12           HN       ARG  12   3.688   1.513  -4.454
   94    HA   ARG  12           HA       ARG  12   4.158  -1.315  -3.810
   95    HB2  ARG  12           HB2      ARG  12   5.576   1.203  -2.940
   96    HB3  ARG  12           HB1      ARG  12   5.861  -0.365  -2.191
   97    HG2  ARG  12           HG2      ARG  12   6.666  -1.259  -4.288
   98    HG3  ARG  12           HG1      ARG  12   6.289   0.259  -5.107
   99    HD2  ARG  12           HD2      ARG  12   7.915   1.430  -3.730
  100    HD3  ARG  12           HD1      ARG  12   8.262  -0.056  -2.847
  101    HE   ARG  12           HE       ARG  12   8.701  -0.531  -5.566
  102   HH11  ARG  12          HH11      ARG  12  10.037   1.357  -2.960
  103   HH12  ARG  12          HH12      ARG  12  11.643   1.351  -3.608
  104   HH21  ARG  12          HH21      ARG  12  12.083   0.272  -5.580
  105   HH22  ARG  12          HH22      ARG  12  10.811  -0.543  -6.427
  106    H    VAL  13           HN       VAL  13   1.986   0.968  -3.275
  107    HA   VAL  13           HA       VAL  13   1.639   0.367  -0.426
  108    HB   VAL  13           HB       VAL  13   1.843   2.760  -0.943
  109   HG11  VAL  13          HG21      VAL  13   0.234   3.916  -2.280
  110   HG12  VAL  13          HG22      VAL  13  -0.702   2.441  -2.510
  111   HG13  VAL  13          HG23      VAL  13   0.900   2.589  -3.231
  112   HG21  VAL  13          HG11      VAL  13  -0.953   2.027  -0.109
  113   HG22  VAL  13          HG12      VAL  13  -0.106   3.533   0.249
  114   HG23  VAL  13          HG13      VAL  13   0.458   2.016   0.948
  115    H    ASN  14           HN       ASN  14   0.571  -0.508  -3.396
  116    HA   ASN  14           HA       ASN  14  -1.245  -1.610  -4.217
  117    HB2  ASN  14           HB1      ASN  14  -1.521  -2.252  -1.278
  118    HB3  ASN  14           HB2      ASN  14  -2.559  -2.959  -2.513
  119   HD21  ASN  14          HD21      ASN  14   1.354  -3.882  -3.113
  120   HD22  ASN  14          HD22      ASN  14   0.824  -2.241  -3.022
  121    H    ARG  15           HN       ARG  15  -1.439   1.202  -2.923
  122    HA   ARG  15           HA       ARG  15  -2.975   2.848  -2.690
  123    HB2  ARG  15           HB2      ARG  15  -4.676   0.987  -4.361
  124    HB3  ARG  15           HB1      ARG  15  -5.007   2.690  -4.078
  125    HG2  ARG  15           HG2      ARG  15  -2.934   3.289  -5.221
  126    HG3  ARG  15           HG1      ARG  15  -2.595   1.579  -5.501
  127    HD2  ARG  15           HD1      ARG  15  -4.654   1.391  -6.813
  128    HD3  ARG  15           HD2      ARG  15  -4.983   3.101  -6.539
  129    HE   ARG  15           HE       ARG  15  -2.445   2.872  -7.684
  130   HH11  ARG  15          HH11      ARG  15  -5.544   2.645 -10.210
  131   HH12  ARG  15          HH12      ARG  15  -5.784   2.335  -8.523
  132   HH21  ARG  15          HH21      ARG  15  -3.461   3.182 -10.995
  133   HH22  ARG  15          HH22      ARG  15  -2.119   3.280  -9.904
  134    H    HIS  16           HN       HIS  16  -5.522   3.141  -2.178
  135    HA   HIS  16           HA       HIS  16  -7.090   3.030  -0.535
  136    HB2  HIS  16           HB2      HIS  16  -6.459   0.075  -0.686
  137    HB3  HIS  16           HB1      HIS  16  -7.861   0.771   0.120
  138    HD1  HIS  16           HD1      HIS  16  -6.633  -0.326  -3.161
  139    HD2  HIS  16           HD2      HIS  16  -9.759   1.979  -1.685
  140    HE1  HIS  16           HE1      HIS  16  -8.272  -0.124  -5.057
  141    HE2  HIS  16           HE2      HIS  16 -10.158   1.276  -4.142
  142    H    SER  17           HN       SER  17  -7.442   1.695   1.758
  143    HA   SER  17           HA       SER  17  -4.996   2.315   3.271
  144    HB2  SER  17           HB2      SER  17  -6.921   3.709   3.868
  145    HB3  SER  17           HB1      SER  17  -7.879   2.266   4.197
  146    HG   SER  17           HG       SER  17  -6.925   3.254   6.083
  147    H    THR  18           HN       THR  18  -3.902   0.653   4.058
  148    HA   THR  18           HA       THR  18  -5.373  -1.778   4.830
  149    HB   THR  18           HB       THR  18  -4.291  -2.267   2.713
  150    HG1  THR  18           HG1      THR  18  -2.856  -3.414   4.896
  151   HG21  THR  18          HG21      THR  18  -1.855  -2.143   2.462
  152   HG22  THR  18          HG22      THR  18  -1.724  -1.425   4.067
  153   HG23  THR  18          HG23      THR  18  -2.547  -0.551   2.775
  154    H    ALA  19           HN       ALA  19  -2.928   0.541   5.499
  155    HA   ALA  19           HA       ALA  19  -2.514  -0.653   8.128
  156    HB1  ALA  19           HB1      ALA  19  -0.091  -0.454   8.003
  157    HB2  ALA  19           HB2      ALA  19  -0.211   0.098   6.331
  158    HB3  ALA  19           HB3      ALA  19  -0.694  -1.545   6.754
  159    H    ILE  20           HN       ILE  20  -0.944   0.920   9.402
  160    HA   ILE  20           HA       ILE  20  -2.230   3.517   9.289
  161    HB   ILE  20           HB       ILE  20  -0.172   2.486  11.246
  162   HG12  ILE  20          HG12      ILE  20  -3.180   2.674  11.537
  163   HG13  ILE  20          HG11      ILE  20  -2.297   1.184  11.217
  164   HG21  ILE  20          HG21      ILE  20  -0.248   4.915  11.155
  165   HG22  ILE  20          HG22      ILE  20  -0.936   4.331  12.670
  166   HG23  ILE  20          HG23      ILE  20  -1.997   4.884  11.375
  167   HD11  ILE  20          HD11      ILE  20  -2.885   1.365  13.558
  168   HD12  ILE  20          HD12      ILE  20  -2.031   2.904  13.671
  169   HD13  ILE  20          HD13      ILE  20  -1.135   1.419  13.351
  170    H    GLY  21           HN       GLY  21  -1.432   5.034   7.991
  171    HA2  GLY  21           HA2      GLY  21   1.454   5.061   7.432
  172    HA3  GLY  21           HA1      GLY  21   0.217   5.849   6.465
  173    H    ARG  22           HN       ARG  22  -0.529   7.881   7.047
  174    HA   ARG  22           HA       ARG  22   0.644   9.143   9.410
  175    HB2  ARG  22           HB2      ARG  22   2.192   9.615   7.556
  176    HB3  ARG  22           HB1      ARG  22   0.865  10.288   6.619
  177    HG2  ARG  22           HG2      ARG  22   2.157  12.074   7.566
  178    HG3  ARG  22           HG1      ARG  22   0.574  12.030   8.345
  179    HD2  ARG  22           HD1      ARG  22   2.341  12.394   9.981
  180    HD3  ARG  22           HD2      ARG  22   1.540  10.846  10.250
  181    HE   ARG  22           HE       ARG  22   3.767  10.403   8.625
  182   HH11  ARG  22          HH11      ARG  22   4.498  10.763  12.546
  183   HH12  ARG  22          HH12      ARG  22   3.029  11.397  11.881
  184   HH21  ARG  22          HH21      ARG  22   6.018   9.723  11.187
  185   HH22  ARG  22          HH22      ARG  22   5.704   9.566   9.491
  Start of MODEL   12
    1    H1   ACE   0           HA1      ACE   0   4.189   1.784  13.047
    2    H2   ACE   0           HA2      ACE   0   3.683   3.006  14.212
    3    H3   ACE   0           HA3      ACE   0   5.287   3.124  13.493
    4    H    MET   1           HN       MET   1   5.415   4.683  12.065
    5    HA   MET   1           HA       MET   1   3.070   5.733  10.766
    6    HB2  MET   1           HB2      MET   1   5.087   7.079  11.580
    7    HB3  MET   1           HB1      MET   1   5.931   6.470  10.162
    8    HG2  MET   1           HG1      MET   1   5.069   8.664   9.713
    9    HG3  MET   1           HG2      MET   1   4.212   7.479   8.730
   10    HE1  MET   1           HE1      MET   1   2.333   9.269   8.203
   11    HE2  MET   1           HE2      MET   1   3.167  10.465   9.194
   12    HE3  MET   1           HE3      MET   1   1.447  10.157   9.443
   13    H    ASN   2           HN       ASN   2   2.225   4.403   9.236
   14    HA   ASN   2           HA       ASN   2   3.987   3.037   7.376
   15    HB2  ASN   2           HB2      ASN   2   2.162   1.705   8.119
   16    HB3  ASN   2           HB1      ASN   2   0.997   2.980   7.774
   17   HD21  ASN   2          HD21      ASN   2   3.608   2.207   5.585
   18   HD22  ASN   2          HD22      ASN   2   2.625   1.510   4.346
   19    H    TRP   3           HN       TRP   3   4.366   3.577   5.362
   20    HA   TRP   3           HA       TRP   3   2.727   5.044   3.645
   21    HB2  TRP   3           HB2      TRP   3   4.086   7.124   3.466
   22    HB3  TRP   3           HB1      TRP   3   3.170   6.998   4.969
   23    HD1  TRP   3           HD1      TRP   3   4.546   6.710   7.201
   24    HE1  TRP   3           HE1      TRP   3   7.008   7.161   7.795
   25    HE3  TRP   3           HE3      TRP   3   6.459   6.876   2.500
   26    HZ2  TRP   3           HZ2      TRP   3   9.437   7.536   6.420
   27    HZ3  TRP   3           HZ3      TRP   3   8.869   7.277   2.207
   28    HH2  TRP   3           HH2      TRP   3  10.332   7.594   4.135
   29    H    THR   4           HN       THR   4   5.883   4.028   4.640
   30    HA   THR   4           HA       THR   4   7.666   4.367   2.805
   31    HB   THR   4           HB       THR   4   6.884   1.547   3.570
   32    HG1  THR   4           HG1      THR   4   8.308   3.591   4.908
   33   HG21  THR   4          HG21      THR   4   9.256   1.040   3.236
   34   HG22  THR   4          HG22      THR   4   9.543   2.702   2.720
   35   HG23  THR   4          HG23      THR   4   8.522   1.641   1.750
   36    H    GLY   5           HN       GLY   5   6.691   5.087   0.867
   37    HA2  GLY   5           HA1      GLY   5   6.799   3.524  -1.328
   38    HA3  GLY   5           HA2      GLY   5   5.165   3.244  -0.742
   39    H    LEU   6           HN       LEU   6   5.618   6.263   0.239
   40    HA   LEU   6           HA       LEU   6   4.130   7.384  -1.940
   41    HB2  LEU   6           HB1      LEU   6   4.397   9.506  -0.559
   42    HB3  LEU   6           HB2      LEU   6   3.479   8.184   0.133
   43    HG   LEU   6           HG       LEU   6   5.565   7.525   1.384
   44   HD11  LEU   6          HD11      LEU   6   6.513  10.228   0.456
   45   HD12  LEU   6          HD12      LEU   6   7.216   8.668   0.029
   46   HD13  LEU   6          HD13      LEU   6   7.285   9.240   1.697
   47   HD21  LEU   6          HD21      LEU   6   4.467  10.259   1.987
   48   HD22  LEU   6          HD22      LEU   6   5.298   9.188   3.119
   49   HD23  LEU   6          HD23      LEU   6   3.729   8.727   2.454
   50    H    TYR   7           HN       TYR   7   7.110   6.620  -2.129
   51    HA   TYR   7           HA       TYR   7   7.907   9.077  -3.494
   52    HB2  TYR   7           HB2      TYR   7  10.285   8.523  -2.832
   53    HB3  TYR   7           HB1      TYR   7   9.229   9.074  -1.535
   54    HD1  TYR   7           HD1      TYR   7   7.861   7.028  -0.430
   55    HD2  TYR   7           HD2      TYR   7  11.684   6.765  -2.278
   56    HE1  TYR   7           HE1      TYR   7   8.315   5.015   0.815
   57    HE2  TYR   7           HE2      TYR   7  12.164   4.717  -0.996
   58    HH   TYR   7           HH       TYR   7  11.410   3.633   1.089
   59    H    THR   8           HN       THR   8   7.873   5.596  -3.435
   60    HA   THR   8           HA       THR   8   8.598   5.580  -6.261
   61    HB   THR   8           HB       THR   8  10.159   3.687  -5.974
   62    HG1  THR   8           HG1      THR   8   9.165   3.407  -3.665
   63   HG21  THR   8          HG21      THR   8  12.047   4.970  -5.073
   64   HG22  THR   8          HG22      THR   8  10.923   6.155  -4.410
   65   HG23  THR   8          HG23      THR   8  11.059   5.951  -6.156
   66    H    LEU   9           HN       LEU   9   6.318   4.871  -4.240
   67    HA   LEU   9           HA       LEU   9   5.439   2.546  -5.746
   68    HB2  LEU   9           HB1      LEU   9   5.681   2.550  -2.749
   69    HB3  LEU   9           HB2      LEU   9   4.705   1.398  -3.635
   70    HG   LEU   9           HG       LEU   9   7.689   1.729  -3.961
   71   HD11  LEU   9          HD21      LEU   9   7.853  -0.386  -2.751
   72   HD12  LEU   9          HD22      LEU   9   6.111  -0.367  -2.481
   73   HD13  LEU   9          HD23      LEU   9   7.130   0.875  -1.754
   74   HD21  LEU   9          HD11      LEU   9   5.786  -0.360  -5.016
   75   HD22  LEU   9          HD12      LEU   9   7.540  -0.376  -5.196
   76   HD23  LEU   9          HD13      LEU   9   6.586   0.892  -5.966
   77    H    LEU  10           HN       LEU  10   4.805   5.489  -4.936
   78    HA   LEU  10           HA       LEU  10   2.469   5.882  -3.676
   79    HB2  LEU  10           HB1      LEU  10   3.229   7.032  -6.358
   80    HB3  LEU  10           HB2      LEU  10   1.964   7.666  -5.324
   81    HG   LEU  10           HG       LEU  10   3.762   8.031  -3.565
   82   HD11  LEU  10          HD21      LEU  10   5.411   7.060  -5.827
   83   HD12  LEU  10          HD22      LEU  10   5.654   6.884  -4.083
   84   HD13  LEU  10          HD23      LEU  10   6.038   8.410  -4.882
   85   HD21  LEU  10          HD11      LEU  10   2.795   9.848  -4.865
   86   HD22  LEU  10          HD12      LEU  10   3.956   9.552  -6.159
   87   HD23  LEU  10          HD13      LEU  10   4.515  10.119  -4.585
   88    H    SER  11           HN       SER  11   2.398   5.494  -7.208
   89    HA   SER  11           HA       SER  11  -0.331   4.589  -7.119
   90    HB2  SER  11           HB2      SER  11  -0.115   4.433  -9.577
   91    HB3  SER  11           HB1      SER  11   0.439   5.994  -8.973
   92    HG   SER  11           HG       SER  11   2.464   5.490  -9.459
   93    H    ARG  12           HN       ARG  12   2.464   3.097  -6.410
   94    HA   ARG  12           HA       ARG  12   1.692   0.517  -7.577
   95    HB2  ARG  12           HB1      ARG  12   4.296   1.272  -6.244
   96    HB3  ARG  12           HB2      ARG  12   3.957  -0.219  -7.111
   97    HG2  ARG  12           HG1      ARG  12   3.748   0.999  -9.191
   98    HG3  ARG  12           HG2      ARG  12   3.989   2.528  -8.342
   99    HD2  ARG  12           HD2      ARG  12   6.047   1.822  -9.422
  100    HD3  ARG  12           HD1      ARG  12   6.228   1.797  -7.668
  101    HE   ARG  12           HE       ARG  12   5.480  -0.751  -8.338
  102   HH11  ARG  12          HH11      ARG  12   9.207   0.113  -9.522
  103   HH12  ARG  12          HH12      ARG  12   8.077   1.394  -9.233
  104   HH21  ARG  12          HH21      ARG  12   6.960  -2.442  -8.718
  105   HH22  ARG  12          HH22      ARG  12   8.572  -2.068  -9.230
  106    H    VAL  13           HN       VAL  13   0.714   2.030  -5.057
  107    HA   VAL  13           HA       VAL  13   1.477   0.528  -2.817
  108    HB   VAL  13           HB       VAL  13  -0.686   1.448  -1.868
  109   HG11  VAL  13          HG11      VAL  13   0.218   3.708  -1.682
  110   HG12  VAL  13          HG12      VAL  13   1.341   3.354  -2.994
  111   HG13  VAL  13          HG13      VAL  13   1.465   2.481  -1.467
  112   HG21  VAL  13          HG21      VAL  13  -1.751   3.249  -3.110
  113   HG22  VAL  13          HG22      VAL  13  -1.875   1.717  -3.975
  114   HG23  VAL  13          HG23      VAL  13  -0.696   2.923  -4.484
  115    H    ASN  14           HN       ASN  14  -1.787   0.452  -2.664
  116    HA   ASN  14           HA       ASN  14  -3.327  -1.198  -2.549
  117    HB2  ASN  14           HB1      ASN  14  -1.842  -2.231  -4.975
  118    HB3  ASN  14           HB2      ASN  14  -3.444  -2.756  -4.462
  119   HD21  ASN  14          HD21      ASN  14  -1.579  -0.178  -5.851
  120   HD22  ASN  14          HD22      ASN  14  -2.915   0.746  -6.437
  121    H    ARG  15           HN       ARG  15  -0.721  -1.498  -1.169
  122    HA   ARG  15           HA       ARG  15   0.300  -2.984   0.208
  123    HB2  ARG  15           HB1      ARG  15  -1.990  -3.618   0.831
  124    HB3  ARG  15           HB2      ARG  15  -2.034  -4.773  -0.494
  125    HG2  ARG  15           HG2      ARG  15  -0.282  -6.081   0.541
  126    HG3  ARG  15           HG1      ARG  15  -0.132  -4.891   1.837
  127    HD2  ARG  15           HD2      ARG  15  -1.449  -6.853   2.517
  128    HD3  ARG  15           HD1      ARG  15  -2.386  -5.362   2.577
  129    HE   ARG  15           HE       ARG  15  -2.755  -6.613   0.081
  130   HH11  ARG  15          HH11      ARG  15  -3.589  -6.985   3.444
  131   HH12  ARG  15          HH12      ARG  15  -5.064  -7.832   3.117
  132   HH21  ARG  15          HH21      ARG  15  -5.693  -8.253   0.957
  133   HH22  ARG  15          HH22      ARG  15  -4.696  -7.726  -0.358
  134    H    HIS  16           HN       HIS  16  -1.073  -5.449  -1.933
  135    HA   HIS  16           HA       HIS  16   1.564  -6.520  -2.408
  136    HB2  HIS  16           HB2      HIS  16  -1.161  -7.379  -3.399
  137    HB3  HIS  16           HB1      HIS  16   0.333  -8.251  -3.726
  138    HD1  HIS  16           HD1      HIS  16  -2.378  -8.039  -1.338
  139    HD2  HIS  16           HD2      HIS  16   1.609  -9.209  -1.243
  140    HE1  HIS  16           HE1      HIS  16  -2.130  -9.416   0.752
  141    HE2  HIS  16           HE2      HIS  16   0.290 -10.114   0.791
  142    H    SER  17           HN       SER  17  -1.052  -5.889  -4.737
  143    HA   SER  17           HA       SER  17  -1.047  -5.069  -6.856
  144    HB2  SER  17           HB1      SER  17  -0.309  -3.004  -5.733
  145    HB3  SER  17           HB2      SER  17   1.370  -3.519  -5.891
  146    HG   SER  17           HG       SER  17   0.507  -2.035  -7.549
  147    H    THR  18           HN       THR  18   0.899  -7.322  -5.918
  148    HA   THR  18           HA       THR  18   2.690  -7.298  -8.245
  149    HB   THR  18           HB       THR  18   3.833  -7.695  -6.146
  150    HG1  THR  18           HG1      THR  18   4.292  -9.005  -8.150
  151   HG21  THR  18          HG21      THR  18   3.343  -9.667  -4.770
  152   HG22  THR  18          HG22      THR  18   1.973 -10.053  -5.812
  153   HG23  THR  18          HG23      THR  18   1.959  -8.576  -4.848
  154    H    ALA  19           HN       ALA  19  -0.009  -8.964  -6.818
  155    HA   ALA  19           HA       ALA  19   0.092 -11.022  -8.911
  156    HB1  ALA  19           HB1      ALA  19  -0.091 -11.831  -6.606
  157    HB2  ALA  19           HB2      ALA  19  -1.510 -12.260  -7.559
  158    HB3  ALA  19           HB3      ALA  19  -1.591 -10.926  -6.409
  159    H    ILE  20           HN       ILE  20  -1.051 -10.619 -10.678
  160    HA   ILE  20           HA       ILE  20  -3.032  -8.590 -10.833
  161    HB   ILE  20           HB       ILE  20  -3.446  -9.450 -13.120
  162   HG12  ILE  20          HG11      ILE  20  -1.322 -11.494 -12.428
  163   HG13  ILE  20          HG12      ILE  20  -3.040 -11.850 -12.586
  164   HG21  ILE  20          HG21      ILE  20  -0.540  -9.109 -12.386
  165   HG22  ILE  20          HG22      ILE  20  -1.692  -7.813 -12.711
  166   HG23  ILE  20          HG23      ILE  20  -1.223  -8.919 -14.002
  167   HD11  ILE  20          HD11      ILE  20  -2.962 -11.189 -14.930
  168   HD12  ILE  20          HD12      ILE  20  -1.817 -12.484 -14.581
  169   HD13  ILE  20          HD13      ILE  20  -1.244 -10.828 -14.772
  170    H    GLY  21           HN       GLY  21  -5.267  -8.779 -11.201
  171    HA2  GLY  21           HA1      GLY  21  -7.311  -9.955 -11.349
  172    HA3  GLY  21           HA2      GLY  21  -6.491 -11.405 -10.791
  173    H    ARG  22           HN       ARG  22  -6.875 -12.012  -8.772
  174    HA   ARG  22           HA       ARG  22  -8.553 -10.494  -7.068
  175    HB2  ARG  22           HB1      ARG  22  -7.958 -12.301  -5.378
  176    HB3  ARG  22           HB2      ARG  22  -8.713 -12.840  -6.871
  177    HG2  ARG  22           HG1      ARG  22  -6.496 -13.452  -7.747
  178    HG3  ARG  22           HG2      ARG  22  -5.779 -12.972  -6.206
  179    HD2  ARG  22           HD2      ARG  22  -6.097 -15.376  -6.277
  180    HD3  ARG  22           HD1      ARG  22  -7.143 -14.653  -5.056
  181    HE   ARG  22           HE       ARG  22  -8.761 -14.769  -7.197
  182   HH11  ARG  22          HH11      ARG  22  -6.693 -17.139  -5.697
  183   HH12  ARG  22          HH12      ARG  22  -7.687 -18.482  -6.150
  184   HH21  ARG  22          HH21      ARG  22 -10.076 -16.532  -7.797
  185   HH22  ARG  22          HH22      ARG  22  -9.611 -18.138  -7.342
  Start of MODEL   13
    1    H1   ACE   0           HA1      ACE   0   2.958   3.143  13.604
    2    H2   ACE   0           HA2      ACE   0   3.148   1.494  13.014
    3    H3   ACE   0           HA3      ACE   0   1.567   2.264  12.899
    4    H    MET   1           HN       MET   1   4.937   2.675  11.851
    5    HA   MET   1           HA       MET   1   4.014   4.171   9.520
    6    HB2  MET   1           HB1      MET   1   6.774   3.616  10.613
    7    HB3  MET   1           HB2      MET   1   6.485   4.466   9.102
    8    HG2  MET   1           HG1      MET   1   6.887   6.079  10.801
    9    HG3  MET   1           HG2      MET   1   5.181   6.156  10.365
   10    HE1  MET   1           HE1      MET   1   5.148   7.030  14.184
   11    HE2  MET   1           HE2      MET   1   4.675   7.552  12.568
   12    HE3  MET   1           HE3      MET   1   6.382   7.478  13.007
   13    H    ASN   2           HN       ASN   2   3.504   3.097   7.743
   14    HA   ASN   2           HA       ASN   2   5.140   0.782   6.965
   15    HB2  ASN   2           HB2      ASN   2   3.089  -0.136   7.887
   16    HB3  ASN   2           HB1      ASN   2   2.119   0.939   6.885
   17   HD21  ASN   2          HD21      ASN   2   2.292   0.662   4.538
   18   HD22  ASN   2          HD22      ASN   2   2.567  -0.923   3.907
   19    H    TRP   3           HN       TRP   3   3.750   3.745   6.160
   20    HA   TRP   3           HA       TRP   3   2.904   3.744   3.636
   21    HB2  TRP   3           HB1      TRP   3   4.069   5.910   3.284
   22    HB3  TRP   3           HB2      TRP   3   3.153   5.812   4.782
   23    HD1  TRP   3           HD1      TRP   3   4.661   5.519   7.070
   24    HE1  TRP   3           HE1      TRP   3   6.998   6.460   7.606
   25    HE3  TRP   3           HE3      TRP   3   6.226   6.366   2.342
   26    HZ2  TRP   3           HZ2      TRP   3   9.229   7.442   6.158
   27    HZ3  TRP   3           HZ3      TRP   3   8.477   7.307   1.963
   28    HH2  TRP   3           HH2      TRP   3   9.950   7.827   3.842
   29    H    THR   4           HN       THR   4   6.385   4.224   4.151
   30    HA   THR   4           HA       THR   4   8.001   4.078   2.481
   31    HB   THR   4           HB       THR   4   7.345   1.159   2.874
   32    HG1  THR   4           HG1      THR   4   8.279   3.088   4.698
   33   HG21  THR   4          HG21      THR   4   9.195   1.651   1.353
   34   HG22  THR   4          HG22      THR   4   9.792   0.918   2.841
   35   HG23  THR   4          HG23      THR   4   9.956   2.655   2.588
   36    H    GLY   5           HN       GLY   5   5.585   4.586   1.146
   37    HA2  GLY   5           HA1      GLY   5   6.135   3.450  -1.422
   38    HA3  GLY   5           HA2      GLY   5   4.672   2.786  -0.705
   39    H    LEU   6           HN       LEU   6   5.648   6.075  -0.091
   40    HA   LEU   6           HA       LEU   6   3.431   7.014  -1.796
   41    HB2  LEU   6           HB2      LEU   6   3.432   8.994  -0.205
   42    HB3  LEU   6           HB1      LEU   6   2.817   7.474   0.414
   43    HG   LEU   6           HG       LEU   6   5.162   7.123   1.383
   44   HD11  LEU   6          HD11      LEU   6   6.403   9.189   1.877
   45   HD12  LEU   6          HD12      LEU   6   5.301  10.079   0.823
   46   HD13  LEU   6          HD13      LEU   6   6.346   8.827   0.151
   47   HD21  LEU   6          HD21      LEU   6   3.188   7.635   2.728
   48   HD22  LEU   6          HD22      LEU   6   3.472   9.358   2.479
   49   HD23  LEU   6          HD23      LEU   6   4.645   8.392   3.376
   50    H    TYR   7           HN       TYR   7   6.451   6.694  -2.221
   51    HA   TYR   7           HA       TYR   7   6.847   9.336  -3.377
   52    HB2  TYR   7           HB1      TYR   7   9.261   9.237  -2.698
   53    HB3  TYR   7           HB2      TYR   7   8.122   9.427  -1.368
   54    HD1  TYR   7           HD1      TYR   7   7.191   6.908  -0.671
   55    HD2  TYR   7           HD2      TYR   7  11.068   7.910  -2.082
   56    HE1  TYR   7           HE1      TYR   7   8.068   4.929   0.395
   57    HE2  TYR   7           HE2      TYR   7  11.985   5.905  -0.984
   58    HH   TYR   7           HH       TYR   7  11.391   4.385   0.870
   59    H    THR   8           HN       THR   8   8.097   6.007  -3.284
   60    HA   THR   8           HA       THR   8   8.810   6.294  -6.132
   61    HB   THR   8           HB       THR   8  10.381   4.424  -5.804
   62    HG1  THR   8           HG1      THR   8   9.150   3.619  -3.907
   63   HG21  THR   8          HG21      THR   8  11.338   6.599  -5.623
   64   HG22  THR   8          HG22      THR   8  11.999   5.639  -4.299
   65   HG23  THR   8          HG23      THR   8  10.714   6.806  -3.988
   66    H    LEU   9           HN       LEU   9   6.317   5.303  -4.509
   67    HA   LEU   9           HA       LEU   9   5.847   3.017  -6.257
   68    HB2  LEU   9           HB2      LEU   9   5.241   3.046  -3.316
   69    HB3  LEU   9           HB1      LEU   9   4.776   1.777  -4.434
   70    HG   LEU   9           HG       LEU   9   7.639   2.549  -3.863
   71   HD11  LEU   9          HD21      LEU   9   6.627   1.693  -1.844
   72   HD12  LEU   9          HD22      LEU   9   7.731   0.499  -2.525
   73   HD13  LEU   9          HD23      LEU   9   5.990   0.306  -2.725
   74   HD21  LEU   9          HD11      LEU   9   7.298   1.492  -6.029
   75   HD22  LEU   9          HD12      LEU   9   6.437   0.161  -5.256
   76   HD23  LEU   9          HD13      LEU   9   8.153   0.412  -4.928
   77    H    LEU  10           HN       LEU  10   4.260   4.932  -3.783
   78    HA   LEU  10           HA       LEU  10   2.104   5.679  -3.585
   79    HB2  LEU  10           HB1      LEU  10   2.742   6.476  -6.422
   80    HB3  LEU  10           HB2      LEU  10   1.423   7.131  -5.470
   81    HG   LEU  10           HG       LEU  10   3.161   7.911  -3.806
   82   HD11  LEU  10          HD21      LEU  10   5.446   8.245  -4.953
   83   HD12  LEU  10          HD22      LEU  10   4.951   6.894  -5.972
   84   HD13  LEU  10          HD23      LEU  10   5.075   6.682  -4.223
   85   HD21  LEU  10          HD11      LEU  10   3.287   9.029  -6.604
   86   HD22  LEU  10          HD12      LEU  10   3.780   9.872  -5.135
   87   HD23  LEU  10          HD13      LEU  10   2.088   9.435  -5.376
   88    H    SER  11           HN       SER  11   1.742   5.040  -7.031
   89    HA   SER  11           HA       SER  11  -0.599   3.412  -6.463
   90    HB2  SER  11           HB1      SER  11   0.568   4.346  -9.100
   91    HB3  SER  11           HB2      SER  11  -0.972   3.507  -8.906
   92    HG   SER  11           HG       SER  11  -0.520   6.097  -8.749
   93    H    ARG  12           HN       ARG  12   2.274   2.578  -6.023
   94    HA   ARG  12           HA       ARG  12   2.130   0.029  -7.477
   95    HB2  ARG  12           HB2      ARG  12   3.884   1.524  -8.423
   96    HB3  ARG  12           HB1      ARG  12   4.653   1.572  -6.845
   97    HG2  ARG  12           HG2      ARG  12   4.966  -0.889  -6.986
   98    HG3  ARG  12           HG1      ARG  12   4.337  -0.825  -8.634
   99    HD2  ARG  12           HD2      ARG  12   6.139   0.706  -9.262
  100    HD3  ARG  12           HD1      ARG  12   6.767   0.648  -7.614
  101    HE   ARG  12           HE       ARG  12   6.632  -1.969  -8.547
  102   HH11  ARG  12          HH11      ARG  12   8.334   0.980  -9.290
  103   HH12  ARG  12          HH12      ARG  12   9.737   0.167  -9.901
  104   HH21  ARG  12          HH21      ARG  12   8.474  -3.047  -9.349
  105   HH22  ARG  12          HH22      ARG  12   9.817  -2.121  -9.934
  106    H    VAL  13           HN       VAL  13   1.800   1.397  -4.612
  107    HA   VAL  13           HA       VAL  13   3.407  -0.416  -3.025
  108    HB   VAL  13           HB       VAL  13   3.100   1.938  -2.312
  109   HG11  VAL  13          HG21      VAL  13   0.280   1.168  -1.632
  110   HG12  VAL  13          HG22      VAL  13   0.713   2.027  -3.108
  111   HG13  VAL  13          HG23      VAL  13   1.028   2.762  -1.537
  112   HG21  VAL  13          HG11      VAL  13   3.652   0.167  -0.691
  113   HG22  VAL  13          HG12      VAL  13   1.929  -0.052  -0.379
  114   HG23  VAL  13          HG13      VAL  13   2.713   1.477   0.026
  115    H    ASN  14           HN       ASN  14   0.585  -0.647  -4.626
  116    HA   ASN  14           HA       ASN  14  -1.226  -2.021  -4.548
  117    HB2  ASN  14           HB1      ASN  14   0.516  -3.593  -2.637
  118    HB3  ASN  14           HB2      ASN  14  -0.936  -4.200  -3.429
  119   HD21  ASN  14          HD21      ASN  14   2.597  -3.976  -5.405
  120   HD22  ASN  14          HD22      ASN  14   2.384  -3.277  -3.840
  121    H    ARG  15           HN       ARG  15  -0.562   0.033  -2.311
  122    HA   ARG  15           HA       ARG  15  -1.558   0.910  -0.481
  123    HB2  ARG  15           HB2      ARG  15  -3.884  -0.801  -1.381
  124    HB3  ARG  15           HB1      ARG  15  -3.979   0.514  -0.218
  125    HG2  ARG  15           HG1      ARG  15  -3.152   0.808  -3.099
  126    HG3  ARG  15           HG2      ARG  15  -4.756   1.165  -2.454
  127    HD2  ARG  15           HD2      ARG  15  -2.179   2.513  -1.655
  128    HD3  ARG  15           HD1      ARG  15  -3.429   3.198  -2.693
  129    HE   ARG  15           HE       ARG  15  -4.647   2.497  -0.299
  130   HH11  ARG  15          HH11      ARG  15  -2.491   5.869  -0.171
  131   HH12  ARG  15          HH12      ARG  15  -2.184   4.698  -1.409
  132   HH21  ARG  15          HH21      ARG  15  -4.125   5.491   1.389
  133   HH22  ARG  15          HH22      ARG  15  -5.057   4.033   1.335
  134    H    HIS  16           HN       HIS  16  -3.370  -2.106  -0.220
  135    HA   HIS  16           HA       HIS  16  -1.702  -2.915   2.051
  136    HB2  HIS  16           HB1      HIS  16  -3.733  -3.422   3.378
  137    HB3  HIS  16           HB2      HIS  16  -3.564  -1.703   3.035
  138    HD1  HIS  16           HD1      HIS  16  -5.372  -0.596   1.620
  139    HD2  HIS  16           HD2      HIS  16  -5.872  -4.703   2.024
  140    HE1  HIS  16           HE1      HIS  16  -7.677  -1.083   0.741
  141    HE2  HIS  16           HE2      HIS  16  -7.958  -3.574   0.994
  142    H    SER  17           HN       SER  17  -1.715  -5.135   2.512
  143    HA   SER  17           HA       SER  17  -3.245  -6.888   0.751
  144    HB2  SER  17           HB2      SER  17  -1.229  -8.172   0.122
  145    HB3  SER  17           HB1      SER  17  -1.156  -6.512  -0.469
  146    HG   SER  17           HG       SER  17   0.802  -6.929   0.451
  147    H    THR  18           HN       THR  18  -4.066  -8.520   1.879
  148    HA   THR  18           HA       THR  18  -3.327  -8.925   4.618
  149    HB   THR  18           HB       THR  18  -5.657  -9.159   3.974
  150    HG1  THR  18           HG1      THR  18  -4.380 -10.783   5.496
  151   HG21  THR  18          HG21      THR  18  -6.414 -11.032   2.584
  152   HG22  THR  18          HG22      THR  18  -4.738 -11.499   2.298
  153   HG23  THR  18          HG23      THR  18  -5.341  -9.959   1.685
  154    H    ALA  19           HN       ALA  19  -2.149 -10.098   1.698
  155    HA   ALA  19           HA       ALA  19  -0.644 -11.703   1.132
  156    HB1  ALA  19           HB1      ALA  19   0.885 -12.513   2.837
  157    HB2  ALA  19           HB2      ALA  19  -0.185 -11.914   4.105
  158    HB3  ALA  19           HB3      ALA  19   0.618 -10.779   3.022
  159    H    ILE  20           HN       ILE  20  -1.642 -13.397   0.245
  160    HA   ILE  20           HA       ILE  20  -3.272 -15.184   1.839
  161    HB   ILE  20           HB       ILE  20  -3.701 -16.353  -0.299
  162   HG12  ILE  20          HG12      ILE  20  -1.992 -14.172  -1.517
  163   HG13  ILE  20          HG11      ILE  20  -1.488 -15.848  -1.330
  164   HG21  ILE  20          HG21      ILE  20  -4.082 -13.363  -0.398
  165   HG22  ILE  20          HG22      ILE  20  -5.137 -14.519   0.415
  166   HG23  ILE  20          HG23      ILE  20  -4.983 -14.549  -1.341
  167   HD11  ILE  20          HD11      ILE  20  -3.788 -14.869  -3.003
  168   HD12  ILE  20          HD12      ILE  20  -3.303 -16.553  -2.805
  169   HD13  ILE  20          HD13      ILE  20  -2.216 -15.409  -3.594
  170    H    GLY  21           HN       GLY  21  -0.239 -14.971   2.048
  171    HA2  GLY  21           HA2      GLY  21   0.259 -17.872   1.852
  172    HA3  GLY  21           HA1      GLY  21   1.461 -16.717   1.298
  173    H    ARG  22           HN       ARG  22   1.097 -14.813   3.394
  174    HA   ARG  22           HA       ARG  22   1.967 -14.307   5.432
  175    HB2  ARG  22           HB1      ARG  22  -0.011 -15.563   6.197
  176    HB3  ARG  22           HB2      ARG  22   0.926 -17.050   6.164
  177    HG2  ARG  22           HG1      ARG  22   2.405 -16.166   7.891
  178    HG3  ARG  22           HG2      ARG  22   1.473 -14.666   7.922
  179    HD2  ARG  22           HD1      ARG  22   0.818 -16.134   9.752
  180    HD3  ARG  22           HD2      ARG  22  -0.512 -15.911   8.615
  181    HE   ARG  22           HE       ARG  22   0.887 -18.213   7.878
  182   HH11  ARG  22          HH11      ARG  22  -1.106 -17.052  10.491
  183   HH12  ARG  22          HH12      ARG  22  -1.708 -18.624  10.899
  184   HH21  ARG  22          HH21      ARG  22   0.099 -20.285   8.411
  185   HH22  ARG  22          HH22      ARG  22  -1.024 -20.461   9.717
  Start of MODEL   14
    1    H1   ACE   0           HA1      ACE   0   3.539   0.443  12.521
    2    H2   ACE   0           HA2      ACE   0   4.165   1.786  13.475
    3    H3   ACE   0           HA3      ACE   0   5.200   0.388  13.186
    4    H    MET   1           HN       MET   1   3.177   2.524  11.180
    5    HA   MET   1           HA       MET   1   3.587   3.610   9.228
    6    HB2  MET   1           HB1      MET   1   6.374   3.648  10.386
    7    HB3  MET   1           HB2      MET   1   5.928   4.498   8.914
    8    HG2  MET   1           HG2      MET   1   5.903   6.048  10.720
    9    HG3  MET   1           HG1      MET   1   4.239   5.761  10.213
   10    HE1  MET   1           HE1      MET   1   3.406   6.892  12.472
   11    HE2  MET   1           HE2      MET   1   5.072   7.135  12.999
   12    HE3  MET   1           HE3      MET   1   3.911   6.361  14.077
   13    H    ASN   2           HN       ASN   2   3.111   2.093   7.707
   14    HA   ASN   2           HA       ASN   2   5.318   0.376   6.779
   15    HB2  ASN   2           HB1      ASN   2   3.367  -0.899   7.505
   16    HB3  ASN   2           HB2      ASN   2   2.329   0.037   6.434
   17   HD21  ASN   2          HD21      ASN   2   3.341  -1.623   3.481
   18   HD22  ASN   2          HD22      ASN   2   2.744  -0.130   4.115
   19    H    TRP   3           HN       TRP   3   3.604   3.151   6.022
   20    HA   TRP   3           HA       TRP   3   2.885   3.201   3.465
   21    HB2  TRP   3           HB1      TRP   3   3.833   5.489   3.265
   22    HB3  TRP   3           HB2      TRP   3   2.879   5.227   4.720
   23    HD1  TRP   3           HD1      TRP   3   4.297   5.030   7.055
   24    HE1  TRP   3           HE1      TRP   3   6.524   6.142   7.720
   25    HE3  TRP   3           HE3      TRP   3   6.009   6.118   2.424
   26    HZ2  TRP   3           HZ2      TRP   3   8.731   7.337   6.404
   27    HZ3  TRP   3           HZ3      TRP   3   8.190   7.246   2.175
   28    HH2  TRP   3           HH2      TRP   3   9.524   7.837   4.134
   29    H    THR   4           HN       THR   4   6.278   3.883   4.260
   30    HA   THR   4           HA       THR   4   7.988   4.033   2.658
   31    HB   THR   4           HB       THR   4   7.615   1.049   2.902
   32    HG1  THR   4           HG1      THR   4   8.268   2.984   4.840
   33   HG21  THR   4          HG21      THR   4  10.072   2.808   2.811
   34   HG22  THR   4          HG22      THR   4   9.480   1.786   1.501
   35   HG23  THR   4          HG23      THR   4  10.072   1.054   2.992
   36    H    GLY   5           HN       GLY   5   5.755   4.476   1.133
   37    HA2  GLY   5           HA1      GLY   5   6.542   3.504  -1.410
   38    HA3  GLY   5           HA2      GLY   5   5.125   2.631  -0.838
   39    H    LEU   6           HN       LEU   6   5.578   5.959   0.061
   40    HA   LEU   6           HA       LEU   6   3.373   6.698  -1.752
   41    HB2  LEU   6           HB1      LEU   6   3.054   8.591  -0.105
   42    HB3  LEU   6           HB2      LEU   6   2.617   6.982   0.429
   43    HG   LEU   6           HG       LEU   6   4.943   6.896   1.496
   44   HD11  LEU   6          HD11      LEU   6   5.884   9.080   2.124
   45   HD12  LEU   6          HD12      LEU   6   4.725   9.864   1.047
   46   HD13  LEU   6          HD13      LEU   6   5.952   8.782   0.386
   47   HD21  LEU   6          HD21      LEU   6   2.937   8.848   2.592
   48   HD22  LEU   6          HD22      LEU   6   4.188   8.003   3.507
   49   HD23  LEU   6          HD23      LEU   6   2.869   7.094   2.766
   50    H    TYR   7           HN       TYR   7   6.396   6.794  -2.109
   51    HA   TYR   7           HA       TYR   7   6.556   9.610  -2.897
   52    HB2  TYR   7           HB2      TYR   7   9.099   9.240  -2.719
   53    HB3  TYR   7           HB1      TYR   7   8.181   9.412  -1.226
   54    HD1  TYR   7           HD1      TYR   7   7.171   7.056  -0.415
   55    HD2  TYR   7           HD2      TYR   7  10.719   7.578  -2.691
   56    HE1  TYR   7           HE1      TYR   7   7.962   4.908   0.356
   57    HE2  TYR   7           HE2      TYR   7  11.548   5.396  -1.903
   58    HH   TYR   7           HH       TYR   7  11.181   3.862  -0.011
   59    H    THR   8           HN       THR   8   7.578   6.326  -3.697
   60    HA   THR   8           HA       THR   8   7.453   7.042  -6.528
   61    HB   THR   8           HB       THR   8   9.526   5.759  -7.001
   62    HG1  THR   8           HG1      THR   8   9.272   5.020  -4.493
   63   HG21  THR   8          HG21      THR   8   9.888   8.092  -5.115
   64   HG22  THR   8          HG22      THR   8   9.619   8.197  -6.856
   65   HG23  THR   8          HG23      THR   8  11.104   7.477  -6.234
   66    H    LEU   9           HN       LEU   9   6.294   5.208  -4.201
   67    HA   LEU   9           HA       LEU   9   5.850   2.914  -5.983
   68    HB2  LEU   9           HB1      LEU   9   6.420   2.900  -3.034
   69    HB3  LEU   9           HB2      LEU   9   5.590   1.569  -3.806
   70    HG   LEU   9           HG       LEU   9   7.868   0.940  -3.604
   71   HD11  LEU   9          HD21      LEU   9   6.846   0.352  -5.737
   72   HD12  LEU   9          HD22      LEU   9   8.576   0.648  -5.916
   73   HD13  LEU   9          HD23      LEU   9   7.415   1.869  -6.435
   74   HD21  LEU   9          HD11      LEU   9   8.708   3.272  -3.274
   75   HD22  LEU   9          HD12      LEU   9   8.693   3.456  -5.028
   76   HD23  LEU   9          HD13      LEU   9   9.731   2.245  -4.278
   77    H    LEU  10           HN       LEU  10   4.407   5.490  -4.964
   78    HA   LEU  10           HA       LEU  10   2.157   5.025  -3.541
   79    HB2  LEU  10           HB1      LEU  10   2.341   6.582  -6.116
   80    HB3  LEU  10           HB2      LEU  10   1.011   6.692  -4.980
   81    HG   LEU  10           HG       LEU  10   2.718   7.446  -3.255
   82   HD11  LEU  10          HD21      LEU  10   4.820   6.954  -3.985
   83   HD12  LEU  10          HD22      LEU  10   4.688   8.621  -4.553
   84   HD13  LEU  10          HD23      LEU  10   4.428   7.286  -5.676
   85   HD21  LEU  10          HD11      LEU  10   2.722   9.747  -4.077
   86   HD22  LEU  10          HD12      LEU  10   1.155   8.978  -4.328
   87   HD23  LEU  10          HD13      LEU  10   2.268   9.175  -5.682
   88    H    SER  11           HN       SER  11   2.163   4.751  -7.093
   89    HA   SER  11           HA       SER  11  -0.205   3.077  -6.993
   90    HB2  SER  11           HB1      SER  11   1.438   4.036  -9.353
   91    HB3  SER  11           HB2      SER  11  -0.102   3.183  -9.461
   92    HG   SER  11           HG       SER  11  -0.607   5.146  -7.879
   93    H    ARG  12           HN       ARG  12   2.675   2.351  -6.143
   94    HA   ARG  12           HA       ARG  12   2.747  -0.242  -7.528
   95    HB2  ARG  12           HB2      ARG  12   5.124   1.372  -6.593
   96    HB3  ARG  12           HB1      ARG  12   5.192  -0.203  -7.372
   97    HG2  ARG  12           HG2      ARG  12   4.393   0.702  -9.430
   98    HG3  ARG  12           HG1      ARG  12   4.050   2.259  -8.670
   99    HD2  ARG  12           HD2      ARG  12   6.443   2.558  -8.220
  100    HD3  ARG  12           HD1      ARG  12   6.778   1.011  -9.000
  101    HE   ARG  12           HE       ARG  12   5.386   2.571 -10.830
  102   HH11  ARG  12          HH11      ARG  12   9.257   3.503 -10.406
  103   HH12  ARG  12          HH12      ARG  12   8.439   2.635  -9.150
  104   HH21  ARG  12          HH21      ARG  12   8.129   4.117 -12.303
  105   HH22  ARG  12          HH22      ARG  12   6.455   3.715 -12.487
  106    H    VAL  13           HN       VAL  13   1.904   1.056  -4.769
  107    HA   VAL  13           HA       VAL  13   3.224  -0.950  -3.080
  108    HB   VAL  13           HB       VAL  13   3.572   1.412  -2.402
  109   HG11  VAL  13          HG21      VAL  13   1.260   2.093  -3.191
  110   HG12  VAL  13          HG22      VAL  13   1.824   2.793  -1.676
  111   HG13  VAL  13          HG23      VAL  13   0.671   1.460  -1.656
  112   HG21  VAL  13          HG11      VAL  13   1.924  -0.169  -0.443
  113   HG22  VAL  13          HG12      VAL  13   3.084   1.105  -0.058
  114   HG23  VAL  13          HG13      VAL  13   3.642  -0.415  -0.758
  115    H    ASN  14           HN       ASN  14   0.383  -0.239  -4.609
  116    HA   ASN  14           HA       ASN  14  -1.771  -0.973  -4.464
  117    HB2  ASN  14           HB2      ASN  14  -0.308  -3.229  -3.089
  118    HB3  ASN  14           HB1      ASN  14  -2.030  -3.291  -3.455
  119   HD21  ASN  14          HD21      ASN  14   0.310  -1.727  -5.524
  120   HD22  ASN  14          HD22      ASN  14   0.213  -2.868  -6.817
  121    H    ARG  15           HN       ARG  15  -0.452   0.547  -2.157
  122    HA   ARG  15           HA       ARG  15  -1.019   1.408  -0.141
  123    HB2  ARG  15           HB2      ARG  15  -3.766   0.409  -0.925
  124    HB3  ARG  15           HB1      ARG  15  -3.433   1.550   0.371
  125    HG2  ARG  15           HG1      ARG  15  -2.519   3.130  -1.267
  126    HG3  ARG  15           HG2      ARG  15  -2.900   1.989  -2.559
  127    HD2  ARG  15           HD1      ARG  15  -4.617   3.703  -2.387
  128    HD3  ARG  15           HD2      ARG  15  -5.270   2.117  -1.980
  129    HE   ARG  15           HE       ARG  15  -4.495   3.250   0.409
  130   HH11  ARG  15          HH11      ARG  15  -6.714   4.028  -2.163
  131   HH12  ARG  15          HH12      ARG  15  -7.819   4.870  -1.128
  132   HH21  ARG  15          HH21      ARG  15  -7.381   5.057   1.111
  133   HH22  ARG  15          HH22      ARG  15  -5.943   4.357   1.777
  134    H    HIS  16           HN       HIS  16  -2.601   0.736   1.915
  135    HA   HIS  16           HA       HIS  16  -2.715  -0.609   3.744
  136    HB2  HIS  16           HB1      HIS  16  -2.742  -2.794   1.651
  137    HB3  HIS  16           HB2      HIS  16  -3.165  -3.011   3.347
  138    HD1  HIS  16           HD1      HIS  16  -4.545  -1.957   0.111
  139    HD2  HIS  16           HD2      HIS  16  -5.598  -1.672   4.120
  140    HE1  HIS  16           HE1      HIS  16  -6.980  -1.327   0.124
  141    HE2  HIS  16           HE2      HIS  16  -7.597  -1.162   2.562
  142    H    SER  17           HN       SER  17  -1.648  -2.954   4.519
  143    HA   SER  17           HA       SER  17   1.244  -2.491   4.224
  144    HB2  SER  17           HB1      SER  17   0.422  -2.137   6.505
  145    HB3  SER  17           HB2      SER  17  -0.272  -3.759   6.519
  146    HG   SER  17           HG       SER  17   2.121  -3.105   7.271
  147    H    THR  18           HN       THR  18   1.744  -3.815   2.534
  148    HA   THR  18           HA       THR  18   2.378  -5.741   1.504
  149    HB   THR  18           HB       THR  18   1.574  -7.231   4.003
  150    HG1  THR  18           HG1      THR  18   3.555  -5.399   3.620
  151   HG21  THR  18          HG21      THR  18   2.063  -8.656   2.094
  152   HG22  THR  18          HG22      THR  18   3.357  -8.781   3.286
  153   HG23  THR  18          HG23      THR  18   3.590  -7.814   1.830
  154    H    ALA  19           HN       ALA  19  -0.733  -5.168   2.606
  155    HA   ALA  19           HA       ALA  19  -2.802  -5.844   1.954
  156    HB1  ALA  19           HB1      ALA  19  -3.059  -6.667  -0.321
  157    HB2  ALA  19           HB2      ALA  19  -1.326  -6.980  -0.417
  158    HB3  ALA  19           HB3      ALA  19  -1.917  -5.325  -0.269
  159    H    ILE  20           HN       ILE  20  -4.022  -7.926   1.041
  160    HA   ILE  20           HA       ILE  20  -4.695 -10.062   1.430
  161    HB   ILE  20           HB       ILE  20  -1.773 -10.633   1.943
  162   HG12  ILE  20          HG12      ILE  20  -3.387 -10.948  -0.600
  163   HG13  ILE  20          HG11      ILE  20  -2.242  -9.646  -0.294
  164   HG21  ILE  20          HG21      ILE  20  -4.066 -12.477   1.280
  165   HG22  ILE  20          HG22      ILE  20  -3.229 -12.366   2.829
  166   HG23  ILE  20          HG23      ILE  20  -2.372 -12.953   1.403
  167   HD11  ILE  20          HD11      ILE  20  -1.585 -12.576  -0.458
  168   HD12  ILE  20          HD12      ILE  20  -0.434 -11.281  -0.126
  169   HD13  ILE  20          HD13      ILE  20  -1.252 -11.356  -1.687
  170    H    GLY  21           HN       GLY  21  -5.718 -10.883   3.142
  171    HA2  GLY  21           HA2      GLY  21  -5.830 -11.760   5.347
  172    HA3  GLY  21           HA1      GLY  21  -4.418 -10.804   5.770
  173    H    ARG  22           HN       ARG  22  -5.684 -10.204   7.662
  174    HA   ARG  22           HA       ARG  22  -8.063  -8.659   7.377
  175    HB2  ARG  22           HB2      ARG  22  -7.598  -8.086   9.815
  176    HB3  ARG  22           HB1      ARG  22  -7.829  -9.787   9.432
  177    HG2  ARG  22           HG1      ARG  22  -5.412 -10.127   9.460
  178    HG3  ARG  22           HG2      ARG  22  -5.176  -8.419   9.837
  179    HD2  ARG  22           HD2      ARG  22  -5.023  -9.786  11.848
  180    HD3  ARG  22           HD1      ARG  22  -6.410  -8.699  11.923
  181    HE   ARG  22           HE       ARG  22  -7.197 -11.203  10.882
  182   HH11  ARG  22          HH11      ARG  22  -7.141 -10.761  14.862
  183   HH12  ARG  22          HH12      ARG  22  -6.243  -9.669  13.862
  184   HH21  ARG  22          HH21      ARG  22  -8.383 -12.645  12.192
  185   HH22  ARG  22          HH22      ARG  22  -8.358 -12.452  13.913
  Start of MODEL   15
    1    H1   ACE   0           HA1      ACE   0   5.515   3.871  13.827
    2    H2   ACE   0           HA2      ACE   0   6.763   2.945  12.997
    3    H3   ACE   0           HA3      ACE   0   5.138   2.272  13.118
    4    H    MET   1           HN       MET   1   3.395   3.647  12.157
    5    HA   MET   1           HA       MET   1   2.438   4.582  10.319
    6    HB2  MET   1           HB1      MET   1   3.894   6.517  11.157
    7    HB3  MET   1           HB2      MET   1   5.017   6.080   9.875
    8    HG2  MET   1           HG1      MET   1   3.611   7.884   9.145
    9    HG3  MET   1           HG2      MET   1   3.237   6.430   8.221
   10    HE1  MET   1           HE1      MET   1   1.347   8.997   8.300
   11    HE2  MET   1           HE2      MET   1  -0.235   8.234   8.461
   12    HE3  MET   1           HE3      MET   1   0.972   7.541   7.379
   13    H    ASN   2           HN       ASN   2   2.183   2.947   8.872
   14    HA   ASN   2           HA       ASN   2   4.468   2.073   7.291
   15    HB2  ASN   2           HB1      ASN   2   2.789   0.443   8.261
   16    HB3  ASN   2           HB2      ASN   2   1.628   1.065   7.093
   17   HD21  ASN   2          HD21      ASN   2   3.851  -0.181   4.349
   18   HD22  ASN   2          HD22      ASN   2   3.356   1.384   4.875
   19    H    TRP   3           HN       TRP   3   4.900   2.756   5.353
   20    HA   TRP   3           HA       TRP   3   2.941   3.462   3.426
   21    HB2  TRP   3           HB1      TRP   3   3.739   5.825   3.119
   22    HB3  TRP   3           HB2      TRP   3   2.767   5.547   4.559
   23    HD1  TRP   3           HD1      TRP   3   4.118   5.516   6.926
   24    HE1  TRP   3           HE1      TRP   3   6.251   6.771   7.627
   25    HE3  TRP   3           HE3      TRP   3   5.934   6.586   2.308
   26    HZ2  TRP   3           HZ2      TRP   3   8.422   8.050   6.364
   27    HZ3  TRP   3           HZ3      TRP   3   8.057   7.830   2.120
   28    HH2  TRP   3           HH2      TRP   3   9.278   8.543   4.113
   29    H    THR   4           HN       THR   4   6.273   4.276   4.299
   30    HA   THR   4           HA       THR   4   7.999   4.580   2.697
   31    HB   THR   4           HB       THR   4   7.828   1.589   3.076
   32    HG1  THR   4           HG1      THR   4   8.440   3.668   4.889
   33   HG21  THR   4          HG21      THR   4   9.629   2.363   1.610
   34   HG22  THR   4          HG22      THR   4  10.278   1.742   3.128
   35   HG23  THR   4          HG23      THR   4  10.174   3.482   2.861
   36    H    GLY   5           HN       GLY   5   6.104   5.018   0.984
   37    HA2  GLY   5           HA1      GLY   5   6.933   3.701  -1.399
   38    HA3  GLY   5           HA2      GLY   5   5.357   3.124  -0.876
   39    H    LEU   6           HN       LEU   6   4.874   5.944   0.239
   40    HA   LEU   6           HA       LEU   6   3.416   6.913  -1.972
   41    HB2  LEU   6           HB2      LEU   6   3.128   8.947  -0.507
   42    HB3  LEU   6           HB1      LEU   6   2.565   7.415   0.133
   43    HG   LEU   6           HG       LEU   6   4.926   7.340   1.255
   44   HD11  LEU   6          HD11      LEU   6   5.844   9.287   0.135
   45   HD12  LEU   6          HD12      LEU   6   5.765   9.548   1.877
   46   HD13  LEU   6          HD13      LEU   6   4.569  10.298   0.818
   47   HD21  LEU   6          HD21      LEU   6   2.789   7.440   2.438
   48   HD22  LEU   6          HD22      LEU   6   2.784   9.196   2.264
   49   HD23  LEU   6          HD23      LEU   6   4.034   8.407   3.229
   50    H    TYR   7           HN       TYR   7   6.495   6.829  -2.157
   51    HA   TYR   7           HA       TYR   7   6.712   9.448  -3.419
   52    HB2  TYR   7           HB1      TYR   7   9.079   9.614  -2.624
   53    HB3  TYR   7           HB2      TYR   7   7.870   9.725  -1.348
   54    HD1  TYR   7           HD1      TYR   7   7.164   7.203  -0.553
   55    HD2  TYR   7           HD2      TYR   7  10.974   8.441  -1.963
   56    HE1  TYR   7           HE1      TYR   7   8.176   5.358   0.617
   57    HE2  TYR   7           HE2      TYR   7  12.028   6.567  -0.760
   58    HH   TYR   7           HH       TYR   7  10.235   3.989   0.534
   59    H    THR   8           HN       THR   8   7.534   6.082  -3.411
   60    HA   THR   8           HA       THR   8   8.461   6.346  -6.171
   61    HB   THR   8           HB       THR   8  10.371   4.865  -5.833
   62    HG1  THR   8           HG1      THR   8   9.292   3.985  -3.797
   63   HG21  THR   8          HG21      THR   8  11.824   6.382  -4.541
   64   HG22  THR   8          HG22      THR   8  10.394   7.233  -3.958
   65   HG23  THR   8          HG23      THR   8  10.793   7.255  -5.675
   66    H    LEU   9           HN       LEU   9   6.303   5.080  -4.260
   67    HA   LEU   9           HA       LEU   9   5.866   2.762  -5.940
   68    HB2  LEU   9           HB1      LEU   9   6.201   2.534  -2.955
   69    HB3  LEU   9           HB2      LEU   9   5.461   1.294  -3.945
   70    HG   LEU   9           HG       LEU   9   8.302   2.264  -4.264
   71   HD11  LEU   9          HD21      LEU   9   8.933   0.133  -3.249
   72   HD12  LEU   9          HD22      LEU   9   7.232  -0.229  -2.955
   73   HD13  LEU   9          HD23      LEU   9   7.999   1.130  -2.136
   74   HD21  LEU   9          HD11      LEU   9   7.376   1.396  -6.326
   75   HD22  LEU   9          HD12      LEU   9   6.816  -0.053  -5.492
   76   HD23  LEU   9          HD13      LEU   9   8.543   0.255  -5.660
   77    H    LEU  10           HN       LEU  10   4.695   5.436  -4.854
   78    HA   LEU  10           HA       LEU  10   2.294   4.948  -3.546
   79    HB2  LEU  10           HB2      LEU  10   1.545   7.083  -4.836
   80    HB3  LEU  10           HB1      LEU  10   2.786   7.182  -3.605
   81    HG   LEU  10           HG       LEU  10   3.525   6.871  -6.496
   82   HD11  LEU  10          HD11      LEU  10   2.016   8.777  -6.372
   83   HD12  LEU  10          HD12      LEU  10   3.676   9.302  -6.654
   84   HD13  LEU  10          HD13      LEU  10   2.964   9.449  -5.046
   85   HD21  LEU  10          HD21      LEU  10   4.947   7.060  -4.060
   86   HD22  LEU  10          HD22      LEU  10   5.226   8.552  -4.959
   87   HD23  LEU  10          HD23      LEU  10   5.587   6.995  -5.703
   88    H    SER  11           HN       SER  11   2.999   5.039  -7.009
   89    HA   SER  11           HA       SER  11   0.296   4.168  -7.643
   90    HB2  SER  11           HB1      SER  11   2.680   4.685  -9.447
   91    HB3  SER  11           HB2      SER  11   1.042   4.331  -9.997
   92    HG   SER  11           HG       SER  11   1.291   6.427  -8.206
   93    H    ARG  12           HN       ARG  12   2.554   2.664  -6.211
   94    HA   ARG  12           HA       ARG  12   2.226   0.143  -7.672
   95    HB2  ARG  12           HB2      ARG  12   4.796   1.145  -6.431
   96    HB3  ARG  12           HB1      ARG  12   4.567  -0.441  -7.159
   97    HG2  ARG  12           HG2      ARG  12   4.331   0.491  -9.325
   98    HG3  ARG  12           HG1      ARG  12   4.207   2.129  -8.676
   99    HD2  ARG  12           HD2      ARG  12   6.517   1.981  -7.873
  100    HD3  ARG  12           HD1      ARG  12   6.639   0.349  -8.530
  101    HE   ARG  12           HE       ARG  12   5.877   2.033 -10.610
  102   HH11  ARG  12          HH11      ARG  12   8.606   1.564  -8.495
  103   HH12  ARG  12          HH12      ARG  12   9.761   2.152  -9.644
  104   HH21  ARG  12          HH21      ARG  12   9.070   2.860 -11.708
  105   HH22  ARG  12          HH22      ARG  12   7.390   2.809 -12.128
  106    H    VAL  13           HN       VAL  13   1.318   1.633  -5.063
  107    HA   VAL  13           HA       VAL  13   1.891  -0.574  -3.221
  108    HB   VAL  13           HB       VAL  13   2.749   1.442  -2.305
  109   HG11  VAL  13          HG21      VAL  13   1.463   3.458  -2.008
  110   HG12  VAL  13          HG22      VAL  13   0.036   2.678  -2.689
  111   HG13  VAL  13          HG23      VAL  13   1.443   2.983  -3.704
  112   HG21  VAL  13          HG11      VAL  13   0.117   0.862  -0.973
  113   HG22  VAL  13          HG12      VAL  13   1.510   1.654  -0.234
  114   HG23  VAL  13          HG13      VAL  13   1.615  -0.036  -0.729
  115    H    ASN  14           HN       ASN  14   0.218  -1.887  -3.917
  116    HA   ASN  14           HA       ASN  14  -2.493  -1.023  -4.033
  117    HB2  ASN  14           HB2      ASN  14  -1.327  -3.806  -3.768
  118    HB3  ASN  14           HB1      ASN  14  -3.012  -3.448  -4.137
  119   HD21  ASN  14          HD21      ASN  14  -0.113  -2.915  -6.961
  120   HD22  ASN  14          HD22      ASN  14   0.287  -2.981  -5.282
  121    H    ARG  15           HN       ARG  15  -0.546  -1.024  -1.525
  122    HA   ARG  15           HA       ARG  15  -0.775  -0.943   0.715
  123    HB2  ARG  15           HB1      ARG  15  -3.734  -1.077   0.094
  124    HB3  ARG  15           HB2      ARG  15  -3.048  -0.680   1.663
  125    HG2  ARG  15           HG1      ARG  15  -1.978   1.297   0.683
  126    HG3  ARG  15           HG2      ARG  15  -2.711   0.906  -0.875
  127    HD2  ARG  15           HD2      ARG  15  -4.186   1.537   1.680
  128    HD3  ARG  15           HD1      ARG  15  -4.000   2.613   0.296
  129    HE   ARG  15           HE       ARG  15  -5.157   0.329  -0.702
  130   HH11  ARG  15          HH11      ARG  15  -7.662   2.514   1.533
  131   HH12  ARG  15          HH12      ARG  15  -5.951   2.691   1.735
  132   HH21  ARG  15          HH21      ARG  15  -7.409   0.089  -0.973
  133   HH22  ARG  15          HH22      ARG  15  -8.491   1.036  -0.006
  134    H    HIS  16           HN       HIS  16  -2.149  -2.186   2.597
  135    HA   HIS  16           HA       HIS  16  -1.637  -5.012   2.046
  136    HB2  HIS  16           HB2      HIS  16  -2.071  -3.569   4.671
  137    HB3  HIS  16           HB1      HIS  16  -1.676  -5.277   4.502
  138    HD1  HIS  16           HD1      HIS  16  -0.170  -1.878   4.387
  139    HD2  HIS  16           HD2      HIS  16   0.998  -5.819   3.772
  140    HE1  HIS  16           HE1      HIS  16   2.344  -1.834   4.333
  141    HE2  HIS  16           HE2      HIS  16   3.030  -4.230   3.961
  142    H    SER  17           HN       SER  17  -3.134  -6.637   2.510
  143    HA   SER  17           HA       SER  17  -5.841  -5.990   1.974
  144    HB2  SER  17           HB1      SER  17  -4.634  -8.576   2.987
  145    HB3  SER  17           HB2      SER  17  -6.267  -8.396   2.343
  146    HG   SER  17           HG       SER  17  -5.356  -8.779   0.494
  147    H    THR  18           HN       THR  18  -7.660  -6.816   3.385
  148    HA   THR  18           HA       THR  18  -7.445  -5.554   5.958
  149    HB   THR  18           HB       THR  18  -9.509  -5.302   4.712
  150    HG1  THR  18           HG1      THR  18  -9.860  -6.936   7.025
  151   HG21  THR  18          HG21      THR  18 -11.013  -7.199   4.323
  152   HG22  THR  18          HG22      THR  18  -9.800  -8.297   4.981
  153   HG23  THR  18          HG23      THR  18  -9.475  -7.419   3.487
  154    H    ALA  19           HN       ALA  19  -7.725  -6.513   7.986
  155    HA   ALA  19           HA       ALA  19  -6.774  -9.258   8.136
  156    HB1  ALA  19           HB1      ALA  19  -6.461  -8.815  10.511
  157    HB2  ALA  19           HB2      ALA  19  -7.260  -7.253  10.336
  158    HB3  ALA  19           HB3      ALA  19  -5.718  -7.548   9.534
  159    H    ILE  20           HN       ILE  20  -7.878 -10.957   9.028
  160    HA   ILE  20           HA       ILE  20 -10.768 -10.643   9.189
  161    HB   ILE  20           HB       ILE  20  -9.903 -12.497   7.863
  162   HG12  ILE  20          HG12      ILE  20 -11.224 -13.509  10.392
  163   HG13  ILE  20          HG11      ILE  20 -12.074 -12.719   9.066
  164   HG21  ILE  20          HG21      ILE  20  -7.819 -12.881   9.052
  165   HG22  ILE  20          HG22      ILE  20  -8.743 -14.378   8.925
  166   HG23  ILE  20          HG23      ILE  20  -8.709 -13.489  10.448
  167   HD11  ILE  20          HD11      ILE  20 -11.405 -14.529   7.568
  168   HD12  ILE  20          HD12      ILE  20 -12.327 -15.122   8.949
  169   HD13  ILE  20          HD13      ILE  20 -10.576 -15.323   8.907
  170    H    GLY  21           HN       GLY  21 -11.996 -11.004  10.994
  171    HA2  GLY  21           HA2      GLY  21 -10.709 -10.667  13.528
  172    HA3  GLY  21           HA1      GLY  21 -12.432 -10.869  13.255
  173    H    ARG  22           HN       ARG  22  -9.560 -12.338  14.312
  174    HA   ARG  22           HA       ARG  22 -10.839 -14.986  14.343
  175    HB2  ARG  22           HB2      ARG  22  -8.473 -15.792  14.850
  176    HB3  ARG  22           HB1      ARG  22  -8.777 -15.189  13.226
  177    HG2  ARG  22           HG1      ARG  22  -7.762 -13.050  13.827
  178    HG3  ARG  22           HG2      ARG  22  -7.455 -13.656  15.457
  179    HD2  ARG  22           HD1      ARG  22  -6.032 -15.418  14.531
  180    HD3  ARG  22           HD2      ARG  22  -6.338 -14.812  12.904
  181    HE   ARG  22           HE       ARG  22  -5.322 -12.703  14.415
  182   HH11  ARG  22          HH11      ARG  22  -2.615 -15.342  13.097
  183   HH12  ARG  22          HH12      ARG  22  -4.282 -15.801  13.207
  184   HH21  ARG  22          HH21      ARG  22  -1.962 -13.234  13.703
  185   HH22  ARG  22          HH22      ARG  22  -3.132 -12.090  14.273
  Start of MODEL   16
    1    H1   ACE   0           HA1      ACE   0   2.801   0.414  12.152
    2    H2   ACE   0           HA2      ACE   0   1.544   1.625  12.395
    3    H3   ACE   0           HA3      ACE   0   3.183   1.976  12.938
    4    H    MET   1           HN       MET   1   4.807   2.370  11.401
    5    HA   MET   1           HA       MET   1   3.831   3.725   9.060
    6    HB2  MET   1           HB2      MET   1   6.633   3.257  10.088
    7    HB3  MET   1           HB1      MET   1   6.250   4.233   8.678
    8    HG2  MET   1           HG1      MET   1   4.980   5.770  10.052
    9    HG3  MET   1           HG2      MET   1   5.277   4.771  11.474
   10    HE1  MET   1           HE1      MET   1   7.443   7.970  12.156
   11    HE2  MET   1           HE2      MET   1   6.183   6.908  12.783
   12    HE3  MET   1           HE3      MET   1   5.872   7.899  11.357
   13    H    ASN   2           HN       ASN   2   3.144   2.445   7.445
   14    HA   ASN   2           HA       ASN   2   4.950   0.299   6.535
   15    HB2  ASN   2           HB1      ASN   2   2.817  -0.615   7.257
   16    HB3  ASN   2           HB2      ASN   2   1.946   0.531   6.241
   17   HD21  ASN   2          HD21      ASN   2   2.405   0.395   3.883
   18   HD22  ASN   2          HD22      ASN   2   2.654  -1.174   3.202
   19    H    TRP   3           HN       TRP   3   3.477   3.277   5.742
   20    HA   TRP   3           HA       TRP   3   2.925   3.335   3.137
   21    HB2  TRP   3           HB1      TRP   3   3.962   5.596   3.010
   22    HB3  TRP   3           HB2      TRP   3   2.873   5.363   4.371
   23    HD1  TRP   3           HD1      TRP   3   4.099   5.064   6.824
   24    HE1  TRP   3           HE1      TRP   3   6.273   6.137   7.692
   25    HE3  TRP   3           HE3      TRP   3   6.177   6.254   2.374
   26    HZ2  TRP   3           HZ2      TRP   3   8.587   7.344   6.587
   27    HZ3  TRP   3           HZ3      TRP   3   8.381   7.367   2.328
   28    HH2  TRP   3           HH2      TRP   3   9.562   7.895   4.400
   29    H    THR   4           HN       THR   4   6.270   4.039   4.095
   30    HA   THR   4           HA       THR   4   8.083   4.098   2.638
   31    HB   THR   4           HB       THR   4   7.604   1.124   2.788
   32    HG1  THR   4           HG1      THR   4   8.152   2.994   4.817
   33   HG21  THR   4          HG21      THR   4  10.111   2.809   2.916
   34   HG22  THR   4          HG22      THR   4   9.584   1.836   1.542
   35   HG23  THR   4          HG23      THR   4  10.048   1.052   3.052
   36    H    GLY   5           HN       GLY   5   5.803   4.517   1.052
   37    HA2  GLY   5           HA2      GLY   5   6.740   3.640  -1.494
   38    HA3  GLY   5           HA1      GLY   5   5.297   2.761  -1.001
   39    H    LEU   6           HN       LEU   6   5.821   6.098  -0.094
   40    HA   LEU   6           HA       LEU   6   3.646   6.868  -1.929
   41    HB2  LEU   6           HB1      LEU   6   3.365   8.782  -0.278
   42    HB3  LEU   6           HB2      LEU   6   2.822   7.187   0.202
   43    HG   LEU   6           HG       LEU   6   5.057   6.937   1.391
   44   HD11  LEU   6          HD11      LEU   6   6.172   9.027   2.045
   45   HD12  LEU   6          HD12      LEU   6   5.132   9.912   0.927
   46   HD13  LEU   6          HD13      LEU   6   6.276   8.721   0.311
   47   HD21  LEU   6          HD21      LEU   6   4.314   8.143   3.355
   48   HD22  LEU   6          HD22      LEU   6   2.960   7.332   2.565
   49   HD23  LEU   6          HD23      LEU   6   3.179   9.071   2.372
   50    H    TYR   7           HN       TYR   7   6.603   6.868  -2.345
   51    HA   TYR   7           HA       TYR   7   6.836   9.654  -3.201
   52    HB2  TYR   7           HB2      TYR   7   9.352   9.358  -2.810
   53    HB3  TYR   7           HB1      TYR   7   8.331   9.557  -1.389
   54    HD1  TYR   7           HD1      TYR   7   7.305   7.162  -0.622
   55    HD2  TYR   7           HD2      TYR   7  11.041   7.784  -2.543
   56    HE1  TYR   7           HE1      TYR   7   8.096   5.069   0.284
   57    HE2  TYR   7           HE2      TYR   7  11.872   5.657  -1.615
   58    HH   TYR   7           HH       TYR   7   9.813   3.362  -0.180
   59    H    THR   8           HN       THR   8   7.854   6.320  -3.707
   60    HA   THR   8           HA       THR   8   8.078   6.880  -6.578
   61    HB   THR   8           HB       THR   8  10.068   5.451  -6.754
   62    HG1  THR   8           HG1      THR   8   9.403   4.586  -4.432
   63   HG21  THR   8          HG21      THR   8  11.696   6.979  -5.727
   64   HG22  THR   8          HG22      THR   8  10.402   7.710  -4.775
   65   HG23  THR   8          HG23      THR   8  10.398   7.860  -6.533
   66    H    LEU   9           HN       LEU   9   6.396   5.358  -4.405
   67    HA   LEU   9           HA       LEU   9   5.844   3.078  -6.142
   68    HB2  LEU   9           HB1      LEU   9   6.356   2.847  -3.182
   69    HB3  LEU   9           HB2      LEU   9   5.699   1.567  -4.181
   70    HG   LEU   9           HG       LEU   9   8.421   2.811  -4.588
   71   HD11  LEU   9          HD21      LEU   9   9.307   0.759  -3.615
   72   HD12  LEU   9          HD22      LEU   9   7.667   0.215  -3.262
   73   HD13  LEU   9          HD23      LEU   9   8.315   1.644  -2.456
   74   HD21  LEU   9          HD11      LEU   9   7.122   0.359  -5.768
   75   HD22  LEU   9          HD12      LEU   9   8.800   0.844  -6.011
   76   HD23  LEU   9          HD13      LEU   9   7.493   1.861  -6.616
   77    H    LEU  10           HN       LEU  10   4.587   5.676  -5.278
   78    HA   LEU  10           HA       LEU  10   2.470   5.605  -3.640
   79    HB2  LEU  10           HB2      LEU  10   1.692   6.560  -6.305
   80    HB3  LEU  10           HB1      LEU  10   1.682   7.393  -4.764
   81    HG   LEU  10           HG       LEU  10   4.093   6.990  -6.541
   82   HD11  LEU  10          HD11      LEU  10   2.504   9.464  -5.880
   83   HD12  LEU  10          HD12      LEU  10   2.512   8.618  -7.426
   84   HD13  LEU  10          HD13      LEU  10   3.977   9.410  -6.848
   85   HD21  LEU  10          HD21      LEU  10   3.851   8.506  -3.951
   86   HD22  LEU  10          HD22      LEU  10   5.279   8.408  -4.979
   87   HD23  LEU  10          HD23      LEU  10   4.683   6.964  -4.159
   88    H    SER  11           HN       SER  11   1.778   4.925  -7.055
   89    HA   SER  11           HA       SER  11  -0.520   3.366  -6.379
   90    HB2  SER  11           HB2      SER  11  -0.690   2.968  -8.813
   91    HB3  SER  11           HB1      SER  11  -0.453   4.678  -8.449
   92    HG   SER  11           HG       SER  11   0.889   3.865 -10.168
   93    H    ARG  12           HN       ARG  12   2.652   2.692  -6.154
   94    HA   ARG  12           HA       ARG  12   2.408  -0.125  -6.932
   95    HB2  ARG  12           HB1      ARG  12   4.841   1.529  -6.239
   96    HB3  ARG  12           HB2      ARG  12   4.877  -0.166  -6.704
   97    HG2  ARG  12           HG1      ARG  12   4.078   0.367  -8.905
   98    HG3  ARG  12           HG2      ARG  12   3.838   2.056  -8.450
   99    HD2  ARG  12           HD1      ARG  12   6.249   2.288  -8.066
  100    HD3  ARG  12           HD2      ARG  12   6.482   0.604  -8.537
  101    HE   ARG  12           HE       ARG  12   5.147   2.006 -10.592
  102   HH11  ARG  12          HH11      ARG  12   8.281   1.689  -9.101
  103   HH12  ARG  12          HH12      ARG  12   9.150   2.131 -10.532
  104   HH21  ARG  12          HH21      ARG  12   6.284   2.587 -12.482
  105   HH22  ARG  12          HH22      ARG  12   8.014   2.641 -12.454
  106    H    VAL  13           HN       VAL  13   1.543   1.467  -4.391
  107    HA   VAL  13           HA       VAL  13   3.021   0.109  -2.315
  108    HB   VAL  13           HB       VAL  13   2.181   2.458  -2.060
  109   HG11  VAL  13          HG21      VAL  13  -0.137   2.842  -1.553
  110   HG12  VAL  13          HG22      VAL  13  -0.491   1.122  -1.700
  111   HG13  VAL  13          HG23      VAL  13  -0.016   2.047  -3.123
  112   HG21  VAL  13          HG11      VAL  13   1.201   0.480  -0.013
  113   HG22  VAL  13          HG12      VAL  13   1.523   2.193   0.266
  114   HG23  VAL  13          HG13      VAL  13   2.847   1.100  -0.137
  115    H    ASN  14           HN       ASN  14   0.733  -0.875  -4.355
  116    HA   ASN  14           HA       ASN  14  -0.827  -2.526  -4.399
  117    HB2  ASN  14           HB2      ASN  14   0.821  -3.419  -2.032
  118    HB3  ASN  14           HB1      ASN  14  -0.484  -4.387  -2.708
  119   HD21  ASN  14          HD21      ASN  14   2.448  -3.685  -5.434
  120   HD22  ASN  14          HD22      ASN  14   1.628  -2.387  -4.646
  121    H    ARG  15           HN       ARG  15  -1.128  -0.079  -2.615
  122    HA   ARG  15           HA       ARG  15  -2.501   0.776  -1.006
  123    HB2  ARG  15           HB1      ARG  15  -4.843   0.427  -1.466
  124    HB3  ARG  15           HB2      ARG  15  -3.963   0.501  -2.985
  125    HG2  ARG  15           HG1      ARG  15  -4.039  -1.935  -3.151
  126    HG3  ARG  15           HG2      ARG  15  -4.925  -2.008  -1.626
  127    HD2  ARG  15           HD1      ARG  15  -6.436  -2.191  -3.534
  128    HD3  ARG  15           HD2      ARG  15  -6.746  -0.720  -2.613
  129    HE   ARG  15           HE       ARG  15  -4.970  -0.067  -4.651
  130   HH11  ARG  15          HH11      ARG  15  -8.252  -1.192  -4.314
  131   HH12  ARG  15          HH12      ARG  15  -8.795  -0.442  -5.778
  132   HH21  ARG  15          HH21      ARG  15  -5.678   0.924  -6.579
  133   HH22  ARG  15          HH22      ARG  15  -7.332   0.760  -7.065
  134    H    HIS  16           HN       HIS  16  -4.824  -0.362   0.195
  135    HA   HIS  16           HA       HIS  16  -3.570  -1.753   2.364
  136    HB2  HIS  16           HB1      HIS  16  -6.490  -1.139   1.862
  137    HB3  HIS  16           HB2      HIS  16  -5.820  -1.738   3.376
  138    HD1  HIS  16           HD1      HIS  16  -6.409   1.342   1.464
  139    HD2  HIS  16           HD2      HIS  16  -4.136   0.165   4.737
  140    HE1  HIS  16           HE1      HIS  16  -5.709   3.475   2.600
  141    HE2  HIS  16           HE2      HIS  16  -4.335   2.738   4.578
  142    H    SER  17           HN       SER  17  -3.499  -3.877   2.763
  143    HA   SER  17           HA       SER  17  -5.320  -5.676   1.349
  144    HB2  SER  17           HB1      SER  17  -2.306  -5.971   1.313
  145    HB3  SER  17           HB2      SER  17  -3.452  -7.163   0.700
  146    HG   SER  17           HG       SER  17  -2.734  -4.674  -0.347
  147    H    THR  18           HN       THR  18  -5.009  -7.987   2.169
  148    HA   THR  18           HA       THR  18  -4.725  -7.866   5.090
  149    HB   THR  18           HB       THR  18  -6.132  -9.942   3.397
  150    HG1  THR  18           HG1      THR  18  -7.111  -7.763   4.953
  151   HG21  THR  18          HG21      THR  18  -5.297 -10.856   5.508
  152   HG22  THR  18          HG22      THR  18  -7.057 -10.731   5.527
  153   HG23  THR  18          HG23      THR  18  -6.079  -9.545   6.392
  154    H    ALA  19           HN       ALA  19  -3.163  -8.954   6.108
  155    HA   ALA  19           HA       ALA  19  -1.517 -10.810   4.520
  156    HB1  ALA  19           HB1      ALA  19   0.324 -10.264   6.031
  157    HB2  ALA  19           HB2      ALA  19  -0.733  -9.178   6.933
  158    HB3  ALA  19           HB3      ALA  19  -0.319  -8.815   5.257
  159    H    ILE  20           HN       ILE  20  -1.836 -12.876   4.986
  160    HA   ILE  20           HA       ILE  20  -2.926 -13.635   7.582
  161    HB   ILE  20           HB       ILE  20  -2.454 -15.271   5.085
  162   HG12  ILE  20          HG11      ILE  20  -5.031 -15.362   5.218
  163   HG13  ILE  20          HG12      ILE  20  -4.889 -13.995   6.319
  164   HG21  ILE  20          HG21      ILE  20  -2.224 -16.686   7.030
  165   HG22  ILE  20          HG22      ILE  20  -3.756 -17.029   6.225
  166   HG23  ILE  20          HG23      ILE  20  -3.731 -16.061   7.700
  167   HD11  ILE  20          HD11      ILE  20  -3.823 -12.678   4.599
  168   HD12  ILE  20          HD12      ILE  20  -5.362 -13.313   4.015
  169   HD13  ILE  20          HD13      ILE  20  -3.848 -14.055   3.497
  170    H    GLY  21           HN       GLY  21  -1.730 -14.451   9.175
  171    HA2  GLY  21           HA1      GLY  21  -0.077 -15.881  10.082
  172    HA3  GLY  21           HA2      GLY  21   0.762 -15.851   8.538
  173    H    ARG  22           HN       ARG  22  -0.014 -13.889  11.380
  174    HA   ARG  22           HA       ARG  22   2.177 -12.067  10.758
  175    HB2  ARG  22           HB2      ARG  22   0.157 -12.018  13.008
  176    HB3  ARG  22           HB1      ARG  22   1.351 -10.768  12.688
  177    HG2  ARG  22           HG1      ARG  22   0.313 -10.322  10.524
  178    HG3  ARG  22           HG2      ARG  22  -0.884 -11.580  10.839
  179    HD2  ARG  22           HD2      ARG  22  -1.794  -9.373  11.318
  180    HD3  ARG  22           HD1      ARG  22  -1.679 -10.341  12.787
  181    HE   ARG  22           HE       ARG  22   0.656  -8.827  12.563
  182   HH11  ARG  22          HH11      ARG  22  -2.548  -6.899  13.995
  183   HH12  ARG  22          HH12      ARG  22  -2.758  -8.350  13.072
  184   HH21  ARG  22          HH21      ARG  22  -0.445  -6.085  14.395
  185   HH22  ARG  22          HH22      ARG  22   0.942  -6.918  13.777
  Start of MODEL   17
    1    H1   ACE   0           HA1      ACE   0   8.379  -3.661  10.549
    2    H2   ACE   0           HA2      ACE   0   7.060  -3.055  11.548
    3    H3   ACE   0           HA3      ACE   0   8.480  -2.041  11.302
    4    H    MET   1           HN       MET   1   8.050  -0.409  10.021
    5    HA   MET   1           HA       MET   1   5.859  -0.406   8.197
    6    HB2  MET   1           HB2      MET   1   6.622   1.832   7.593
    7    HB3  MET   1           HB1      MET   1   6.604   1.634   9.339
    8    HG2  MET   1           HG2      MET   1   9.032   1.239   9.295
    9    HG3  MET   1           HG1      MET   1   9.024   1.522   7.554
   10    HE1  MET   1           HE1      MET   1  10.769   4.740   8.946
   11    HE2  MET   1           HE2      MET   1  10.897   3.384   7.826
   12    HE3  MET   1           HE3      MET   1  10.922   3.096   9.567
   13    H    ASN   2           HN       ASN   2   5.911  -0.272   5.922
   14    HA   ASN   2           HA       ASN   2   8.437  -0.971   4.612
   15    HB2  ASN   2           HB1      ASN   2   7.324  -3.108   4.989
   16    HB3  ASN   2           HB2      ASN   2   5.846  -2.494   4.253
   17   HD21  ASN   2          HD21      ASN   2   7.025  -2.746   0.926
   18   HD22  ASN   2          HD22      ASN   2   5.965  -1.869   1.971
   19    H    TRP   3           HN       TRP   3   5.588   0.825   4.682
   20    HA   TRP   3           HA       TRP   3   4.604   1.170   2.238
   21    HB2  TRP   3           HB1      TRP   3   4.425   3.613   2.675
   22    HB3  TRP   3           HB2      TRP   3   3.864   2.598   3.997
   23    HD1  TRP   3           HD1      TRP   3   5.483   2.496   6.193
   24    HE1  TRP   3           HE1      TRP   3   7.076   4.279   7.151
   25    HE3  TRP   3           HE3      TRP   3   6.011   5.340   2.046
   26    HZ2  TRP   3           HZ2      TRP   3   8.387   6.614   6.226
   27    HZ3  TRP   3           HZ3      TRP   3   7.451   7.345   2.130
   28    HH2  TRP   3           HH2      TRP   3   8.620   7.962   4.185
   29    H    THR   4           HN       THR   4   7.439   3.071   3.207
   30    HA   THR   4           HA       THR   4   8.694   4.391   1.713
   31    HB   THR   4           HB       THR   4   9.729   1.619   1.138
   32    HG1  THR   4           HG1      THR   4   9.626   3.061   3.550
   33   HG21  THR   4          HG21      THR   4  11.913   2.737   1.285
   34   HG22  THR   4          HG22      THR   4  11.102   4.272   1.593
   35   HG23  THR   4          HG23      THR   4  10.898   3.463   0.039
   36    H    GLY   5           HN       GLY   5   6.361   4.146   0.316
   37    HA2  GLY   5           HA2      GLY   5   7.217   4.281  -2.375
   38    HA3  GLY   5           HA1      GLY   5   6.427   2.739  -2.082
   39    H    LEU   6           HN       LEU   6   5.379   5.512  -0.291
   40    HA   LEU   6           HA       LEU   6   2.889   5.558  -1.860
   41    HB2  LEU   6           HB1      LEU   6   2.039   6.780   0.227
   42    HB3  LEU   6           HB2      LEU   6   2.325   5.055   0.339
   43    HG   LEU   6           HG       LEU   6   4.600   5.646   1.316
   44   HD11  LEU   6          HD11      LEU   6   3.275   8.336   1.595
   45   HD12  LEU   6          HD12      LEU   6   4.715   7.966   0.645
   46   HD13  LEU   6          HD13      LEU   6   4.762   7.840   2.405
   47   HD21  LEU   6          HD21      LEU   6   3.702   5.970   3.551
   48   HD22  LEU   6          HD22      LEU   6   2.766   4.773   2.654
   49   HD23  LEU   6          HD23      LEU   6   2.136   6.407   2.865
   50    H    TYR   7           HN       TYR   7   5.479   6.997  -2.338
   51    HA   TYR   7           HA       TYR   7   4.337   9.641  -2.715
   52    HB2  TYR   7           HB2      TYR   7   6.478  10.673  -1.923
   53    HB3  TYR   7           HB1      TYR   7   5.538   9.877  -0.664
   54    HD1  TYR   7           HD1      TYR   7   6.137   7.179  -0.700
   55    HD2  TYR   7           HD2      TYR   7   8.768  10.389  -1.602
   56    HE1  TYR   7           HE1      TYR   7   8.012   5.762  -0.167
   57    HE2  TYR   7           HE2      TYR   7  10.697   8.964  -1.037
   58    HH   TYR   7           HH       TYR   7  10.437   5.602  -0.658
   59    H    THR   8           HN       THR   8   7.050   7.457  -3.435
   60    HA   THR   8           HA       THR   8   7.365   8.855  -6.013
   61    HB   THR   8           HB       THR   8   9.719   7.984  -6.010
   62    HG1  THR   8           HG1      THR   8   9.092   6.428  -4.202
   63   HG21  THR   8          HG21      THR   8   8.889   9.859  -3.794
   64   HG22  THR   8          HG22      THR   8   9.307  10.293  -5.450
   65   HG23  THR   8          HG23      THR   8  10.544   9.659  -4.367
   66    H    LEU   9           HN       LEU   9   5.790   6.348  -5.101
   67    HA   LEU   9           HA       LEU   9   6.424   4.823  -7.478
   68    HB2  LEU   9           HB1      LEU   9   6.647   3.688  -4.713
   69    HB3  LEU   9           HB2      LEU   9   6.353   2.670  -6.110
   70    HG   LEU   9           HG       LEU   9   8.762   4.459  -5.742
   71   HD11  LEU   9          HD21      LEU   9   9.999   2.375  -5.434
   72   HD12  LEU   9          HD22      LEU   9   8.486   1.471  -5.500
   73   HD13  LEU   9          HD23      LEU   9   8.781   2.602  -4.179
   74   HD21  LEU   9          HD11      LEU   9   9.647   3.264  -7.690
   75   HD22  LEU   9          HD12      LEU   9   8.181   4.160  -8.084
   76   HD23  LEU   9          HD13      LEU   9   8.112   2.412  -7.859
   77    H    LEU  10           HN       LEU  10   4.520   5.000  -4.585
   78    HA   LEU  10           HA       LEU  10   2.333   4.631  -4.109
   79    HB2  LEU  10           HB1      LEU  10   1.730   5.289  -6.970
   80    HB3  LEU  10           HB2      LEU  10   0.790   5.660  -5.536
   81    HG   LEU  10           HG       LEU  10   3.286   7.003  -6.535
   82   HD11  LEU  10          HD11      LEU  10   1.921   9.017  -6.286
   83   HD12  LEU  10          HD12      LEU  10   0.578   8.032  -5.708
   84   HD13  LEU  10          HD13      LEU  10   1.161   7.843  -7.361
   85   HD21  LEU  10          HD21      LEU  10   2.115   7.204  -3.764
   86   HD22  LEU  10          HD22      LEU  10   3.332   8.291  -4.430
   87   HD23  LEU  10          HD23      LEU  10   3.714   6.584  -4.189
   88    H    SER  11           HN       SER  11   4.012   2.530  -5.680
   89    HA   SER  11           HA       SER  11   1.762   0.775  -6.401
   90    HB2  SER  11           HB2      SER  11   3.361   1.144  -8.239
   91    HB3  SER  11           HB1      SER  11   4.680   0.591  -7.208
   92    HG   SER  11           HG       SER  11   3.909  -1.446  -7.288
   93    H    ARG  12           HN       ARG  12   3.883   1.508  -4.015
   94    HA   ARG  12           HA       ARG  12   4.177  -1.233  -3.029
   95    HB2  ARG  12           HB1      ARG  12   5.485   1.378  -2.279
   96    HB3  ARG  12           HB2      ARG  12   5.670  -0.080  -1.312
   97    HG2  ARG  12           HG1      ARG  12   6.692  -1.224  -3.197
   98    HG3  ARG  12           HG2      ARG  12   6.464   0.209  -4.203
   99    HD2  ARG  12           HD1      ARG  12   7.966   1.484  -2.834
  100    HD3  ARG  12           HD2      ARG  12   8.081   0.171  -1.661
  101    HE   ARG  12           HE       ARG  12   8.905  -0.680  -4.244
  102   HH11  ARG  12          HH11      ARG  12  11.628   0.875  -1.752
  103   HH12  ARG  12          HH12      ARG  12   9.941   1.153  -1.467
  104   HH21  ARG  12          HH21      ARG  12  11.123  -1.052  -4.625
  105   HH22  ARG  12          HH22      ARG  12  12.298  -0.378  -3.546
  106    H    VAL  13           HN       VAL  13   1.928   1.022  -2.930
  107    HA   VAL  13           HA       VAL  13   1.376   0.947  -0.070
  108    HB   VAL  13           HB       VAL  13  -0.419   2.302  -2.035
  109   HG11  VAL  13          HG11      VAL  13   0.554   3.047   0.721
  110   HG12  VAL  13          HG12      VAL  13  -0.981   2.258   0.352
  111   HG13  VAL  13          HG13      VAL  13  -0.673   3.899  -0.216
  112   HG21  VAL  13          HG21      VAL  13   1.005   4.301  -2.001
  113   HG22  VAL  13          HG22      VAL  13   1.799   2.938  -2.791
  114   HG23  VAL  13          HG23      VAL  13   2.249   3.390  -1.147
  115    H    ASN  14           HN       ASN  14  -1.547   1.336  -1.131
  116    HA   ASN  14           HA       ASN  14  -2.155  -1.538  -1.299
  117    HB2  ASN  14           HB1      ASN  14  -4.384  -0.843  -0.233
  118    HB3  ASN  14           HB2      ASN  14  -2.962  -0.873   0.804
  119   HD21  ASN  14          HD21      ASN  14  -3.850   2.898  -0.422
  120   HD22  ASN  14          HD22      ASN  14  -3.549   1.633  -1.559
  121    H    ARG  15           HN       ARG  15  -2.020   1.105  -3.133
  122    HA   ARG  15           HA       ARG  15  -4.593   0.947  -4.433
  123    HB2  ARG  15           HB2      ARG  15  -2.078   2.451  -5.184
  124    HB3  ARG  15           HB1      ARG  15  -3.629   2.613  -5.996
  125    HG2  ARG  15           HG1      ARG  15  -4.631   3.453  -3.938
  126    HG3  ARG  15           HG2      ARG  15  -3.084   3.273  -3.109
  127    HD2  ARG  15           HD1      ARG  15  -2.070   4.878  -4.653
  128    HD3  ARG  15           HD2      ARG  15  -3.617   5.058  -5.481
  129    HE   ARG  15           HE       ARG  15  -4.071   5.633  -2.809
  130   HH11  ARG  15          HH11      ARG  15  -2.162   6.909  -5.431
  131   HH12  ARG  15          HH12      ARG  15  -2.204   8.536  -4.841
  132   HH21  ARG  15          HH21      ARG  15  -4.131   7.774  -2.024
  133   HH22  ARG  15          HH22      ARG  15  -3.323   9.028  -2.904
  134    H    HIS  16           HN       HIS  16  -4.741   0.593  -6.801
  135    HA   HIS  16           HA       HIS  16  -2.696  -1.121  -7.956
  136    HB2  HIS  16           HB1      HIS  16  -4.322  -2.910  -8.491
  137    HB3  HIS  16           HB2      HIS  16  -4.077  -2.724  -6.758
  138    HD1  HIS  16           HD1      HIS  16  -6.038  -1.483  -5.439
  139    HD2  HIS  16           HD2      HIS  16  -6.913  -2.623  -9.340
  140    HE1  HIS  16           HE1      HIS  16  -8.544  -1.381  -5.624
  141    HE2  HIS  16           HE2      HIS  16  -9.053  -2.074  -7.992
  142    H    SER  17           HN       SER  17  -2.698  -1.144 -10.179
  143    HA   SER  17           HA       SER  17  -4.613   0.690 -11.455
  144    HB2  SER  17           HB2      SER  17  -2.286   1.433 -11.597
  145    HB3  SER  17           HB1      SER  17  -1.823  -0.105 -12.325
  146    HG   SER  17           HG       SER  17  -2.126   1.208 -14.028
  147    H    THR  18           HN       THR  18  -5.759   0.070 -13.232
  148    HA   THR  18           HA       THR  18  -6.082  -2.743 -13.668
  149    HB   THR  18           HB       THR  18  -7.283  -0.438 -15.218
  150    HG1  THR  18           HG1      THR  18  -8.569  -1.951 -13.195
  151   HG21  THR  18          HG21      THR  18  -7.395  -2.580 -16.408
  152   HG22  THR  18          HG22      THR  18  -8.993  -2.061 -15.872
  153   HG23  THR  18          HG23      THR  18  -8.137  -3.328 -14.993
  154    H    ALA  19           HN       ALA  19  -4.651  -3.865 -14.816
  155    HA   ALA  19           HA       ALA  19  -3.246  -2.597 -17.043
  156    HB1  ALA  19           HB1      ALA  19  -1.919  -3.820 -15.387
  157    HB2  ALA  19           HB2      ALA  19  -1.782  -4.541 -16.991
  158    HB3  ALA  19           HB3      ALA  19  -2.807  -5.296 -15.769
  159    H    ILE  20           HN       ILE  20  -3.786  -2.934 -19.096
  160    HA   ILE  20           HA       ILE  20  -5.824  -4.943 -19.699
  161    HB   ILE  20           HB       ILE  20  -6.276  -2.681 -20.479
  162   HG12  ILE  20          HG11      ILE  20  -6.640  -3.180 -22.896
  163   HG13  ILE  20          HG12      ILE  20  -5.637  -4.615 -22.717
  164   HG21  ILE  20          HG21      ILE  20  -3.995  -1.884 -20.711
  165   HG22  ILE  20          HG22      ILE  20  -4.888  -1.635 -22.211
  166   HG23  ILE  20          HG23      ILE  20  -3.737  -2.965 -22.080
  167   HD11  ILE  20          HD11      ILE  20  -7.232  -5.524 -21.108
  168   HD12  ILE  20          HD12      ILE  20  -7.990  -5.182 -22.663
  169   HD13  ILE  20          HD13      ILE  20  -8.238  -4.089 -21.301
  170    H    GLY  21           HN       GLY  21  -5.526  -6.620 -21.098
  171    HA2  GLY  21           HA2      GLY  21  -2.759  -7.284 -21.725
  172    HA3  GLY  21           HA1      GLY  21  -4.140  -8.363 -21.842
  173    H    ARG  22           HN       ARG  22  -1.871  -7.338 -23.700
  174    HA   ARG  22           HA       ARG  22  -3.455  -6.305 -25.916
  175    HB2  ARG  22           HB2      ARG  22  -0.489  -6.871 -25.741
  176    HB3  ARG  22           HB1      ARG  22  -1.302  -6.052 -27.068
  177    HG2  ARG  22           HG1      ARG  22  -1.173  -5.054 -24.229
  178    HG3  ARG  22           HG2      ARG  22  -0.157  -4.495 -25.560
  179    HD2  ARG  22           HD2      ARG  22  -3.163  -4.285 -25.413
  180    HD3  ARG  22           HD1      ARG  22  -2.020  -2.967 -25.163
  181    HE   ARG  22           HE       ARG  22  -1.532  -4.096 -27.676
  182   HH11  ARG  22          HH11      ARG  22  -4.563  -1.487 -27.460
  183   HH12  ARG  22          HH12      ARG  22  -3.989  -2.261 -26.020
  184   HH21  ARG  22          HH21      ARG  22  -3.591  -1.953 -29.480
  185   HH22  ARG  22          HH22      ARG  22  -2.281  -3.081 -29.576
  Start of MODEL   18
    1    H1   ACE   0           HA1      ACE   0   3.647   0.164  12.476
    2    H2   ACE   0           HA2      ACE   0   2.141   0.979  12.890
    3    H3   ACE   0           HA3      ACE   0   3.666   1.676  13.433
    4    H    MET   1           HN       MET   1   4.941   0.965  10.848
    5    HA   MET   1           HA       MET   1   3.585   2.854   9.058
    6    HB2  MET   1           HB2      MET   1   6.509   2.938   9.818
    7    HB3  MET   1           HB1      MET   1   5.792   3.874   8.514
    8    HG2  MET   1           HG2      MET   1   4.360   5.024  10.116
    9    HG3  MET   1           HG1      MET   1   5.064   4.077  11.427
   10    HE1  MET   1           HE1      MET   1   4.905   7.265  11.405
   11    HE2  MET   1           HE2      MET   1   6.507   7.687  12.010
   12    HE3  MET   1           HE3      MET   1   5.616   6.348  12.733
   13    H    ASN   2           HN       ASN   2   3.073   1.591   7.380
   14    HA   ASN   2           HA       ASN   2   5.117  -0.263   6.349
   15    HB2  ASN   2           HB2      ASN   2   3.066  -1.409   6.969
   16    HB3  ASN   2           HB1      ASN   2   2.111  -0.290   6.000
   17   HD21  ASN   2          HD21      ASN   2   3.047  -1.738   2.885
   18   HD22  ASN   2          HD22      ASN   2   2.665  -0.234   3.644
   19    H    TRP   3           HN       TRP   3   3.354   2.594   5.680
   20    HA   TRP   3           HA       TRP   3   2.866   2.739   3.067
   21    HB2  TRP   3           HB2      TRP   3   3.643   5.103   3.095
   22    HB3  TRP   3           HB1      TRP   3   2.562   4.674   4.413
   23    HD1  TRP   3           HD1      TRP   3   3.756   4.389   6.876
   24    HE1  TRP   3           HE1      TRP   3   5.786   5.634   7.857
   25    HE3  TRP   3           HE3      TRP   3   5.801   6.013   2.549
   26    HZ2  TRP   3           HZ2      TRP   3   7.987   7.126   6.877
   27    HZ3  TRP   3           HZ3      TRP   3   7.878   7.348   2.620
   28    HH2  TRP   3           HH2      TRP   3   8.949   7.887   4.748
   29    H    THR   4           HN       THR   4   6.091   3.720   4.182
   30    HA   THR   4           HA       THR   4   7.925   4.072   2.785
   31    HB   THR   4           HB       THR   4   7.775   1.059   2.774
   32    HG1  THR   4           HG1      THR   4   8.065   2.870   4.907
   33   HG21  THR   4          HG21      THR   4  10.204   1.240   3.109
   34   HG22  THR   4          HG22      THR   4  10.077   2.997   3.057
   35   HG23  THR   4          HG23      THR   4   9.694   2.044   1.625
   36    H    GLY   5           HN       GLY   5   5.694   4.359   1.129
   37    HA2  GLY   5           HA2      GLY   5   6.788   3.730  -1.415
   38    HA3  GLY   5           HA1      GLY   5   5.461   2.644  -1.025
   39    H    LEU   6           HN       LEU   6   5.501   5.960   0.086
   40    HA   LEU   6           HA       LEU   6   3.276   6.534  -1.758
   41    HB2  LEU   6           HB2      LEU   6   2.764   8.343  -0.025
   42    HB3  LEU   6           HB1      LEU   6   2.393   6.677   0.369
   43    HG   LEU   6           HG       LEU   6   4.606   6.603   1.598
   44   HD11  LEU   6          HD11      LEU   6   4.427   9.587   1.232
   45   HD12  LEU   6          HD12      LEU   6   5.679   8.523   0.593
   46   HD13  LEU   6          HD13      LEU   6   5.526   8.757   2.335
   47   HD21  LEU   6          HD21      LEU   6   2.471   6.771   2.752
   48   HD22  LEU   6          HD22      LEU   6   2.525   8.527   2.603
   49   HD23  LEU   6          HD23      LEU   6   3.728   7.687   3.584
   50    H    TYR   7           HN       TYR   7   6.260   6.934  -2.043
   51    HA   TYR   7           HA       TYR   7   6.158   9.764  -2.781
   52    HB2  TYR   7           HB2      TYR   7   8.697   9.714  -2.402
   53    HB3  TYR   7           HB1      TYR   7   7.658   9.739  -0.979
   54    HD1  TYR   7           HD1      TYR   7   6.897   7.249  -0.287
   55    HD2  TYR   7           HD2      TYR   7  10.518   8.280  -2.251
   56    HE1  TYR   7           HE1      TYR   7   7.895   5.201   0.519
   57    HE2  TYR   7           HE2      TYR   7  11.558   6.203  -1.425
   58    HH   TYR   7           HH       TYR   7   9.746   3.675  -0.046
   59    H    THR   8           HN       THR   8   7.471   6.581  -3.515
   60    HA   THR   8           HA       THR   8   7.603   7.333  -6.337
   61    HB   THR   8           HB       THR   8   9.805   6.194  -6.589
   62    HG1  THR   8           HG1      THR   8   9.380   5.343  -4.201
   63   HG21  THR   8          HG21      THR   8   9.788   8.564  -4.715
   64   HG22  THR   8          HG22      THR   8   9.699   8.632  -6.476
   65   HG23  THR   8          HG23      THR   8  11.160   8.035  -5.690
   66    H    LEU   9           HN       LEU   9   6.139   5.466  -4.334
   67    HA   LEU   9           HA       LEU   9   6.072   3.197  -6.164
   68    HB2  LEU   9           HB1      LEU   9   6.483   2.935  -3.193
   69    HB3  LEU   9           HB2      LEU   9   6.080   1.603  -4.258
   70    HG   LEU   9           HG       LEU   9   8.578   3.277  -4.516
   71   HD11  LEU   9          HD21      LEU   9   8.206   0.559  -3.277
   72   HD12  LEU   9          HD22      LEU   9   8.587   2.051  -2.417
   73   HD13  LEU   9          HD23      LEU   9   9.749   1.367  -3.554
   74   HD21  LEU   9          HD11      LEU   9   7.753   0.676  -5.797
   75   HD22  LEU   9          HD12      LEU   9   9.326   1.455  -5.973
   76   HD23  LEU   9          HD13      LEU   9   7.878   2.242  -6.599
   77    H    LEU  10           HN       LEU  10   4.420   5.541  -4.949
   78    HA   LEU  10           HA       LEU  10   2.231   4.841  -3.559
   79    HB2  LEU  10           HB2      LEU  10   2.269   6.505  -6.071
   80    HB3  LEU  10           HB1      LEU  10   0.938   6.459  -4.935
   81    HG   LEU  10           HG       LEU  10   2.574   7.287  -3.179
   82   HD11  LEU  10          HD21      LEU  10   4.713   7.009  -3.915
   83   HD12  LEU  10          HD22      LEU  10   4.438   8.675  -4.430
   84   HD13  LEU  10          HD23      LEU  10   4.296   7.359  -5.596
   85   HD21  LEU  10          HD11      LEU  10   0.893   8.726  -4.187
   86   HD22  LEU  10          HD12      LEU  10   1.973   9.058  -5.541
   87   HD23  LEU  10          HD13      LEU  10   2.395   9.612  -3.921
   88    H    SER  11           HN       SER  11   2.001   4.854  -7.105
   89    HA   SER  11           HA       SER  11  -0.147   2.926  -7.006
   90    HB2  SER  11           HB1      SER  11  -0.218   4.800  -8.607
   91    HB3  SER  11           HB2      SER  11   1.238   4.183  -9.389
   92    HG   SER  11           HG       SER  11  -1.126   2.649  -9.122
   93    H    ARG  12           HN       ARG  12   2.815   2.352  -6.365
   94    HA   ARG  12           HA       ARG  12   3.114   0.045  -8.157
   95    HB2  ARG  12           HB2      ARG  12   5.234   1.560  -6.634
   96    HB3  ARG  12           HB1      ARG  12   5.529   0.119  -7.596
   97    HG2  ARG  12           HG2      ARG  12   4.822   1.295  -9.604
   98    HG3  ARG  12           HG1      ARG  12   4.472   2.736  -8.647
   99    HD2  ARG  12           HD2      ARG  12   6.629   2.940  -9.750
  100    HD3  ARG  12           HD1      ARG  12   6.825   2.877  -7.998
  101    HE   ARG  12           HE       ARG  12   7.077   0.279  -8.975
  102   HH11  ARG  12          HH11      ARG  12  10.306   2.609  -9.407
  103   HH12  ARG  12          HH12      ARG  12   8.749   3.331  -9.178
  104   HH21  ARG  12          HH21      ARG  12  10.518   0.329  -9.465
  105   HH22  ARG  12          HH22      ARG  12   9.122  -0.680  -9.277
  106    H    VAL  13           HN       VAL  13   2.256   0.897  -5.081
  107    HA   VAL  13           HA       VAL  13   3.188  -1.618  -3.929
  108    HB   VAL  13           HB       VAL  13   2.576  -0.560  -1.759
  109   HG11  VAL  13          HG21      VAL  13   4.540   0.911  -1.670
  110   HG12  VAL  13          HG22      VAL  13   4.625   0.866  -3.431
  111   HG13  VAL  13          HG23      VAL  13   4.877  -0.610  -2.498
  112   HG21  VAL  13          HG11      VAL  13   0.979   1.067  -2.480
  113   HG22  VAL  13          HG12      VAL  13   2.190   1.859  -3.485
  114   HG23  VAL  13          HG13      VAL  13   2.338   1.904  -1.729
  115    H    ASN  14           HN       ASN  14   0.945  -0.839  -1.866
  116    HA   ASN  14           HA       ASN  14  -1.294  -1.999  -3.374
  117    HB2  ASN  14           HB2      ASN  14  -0.454  -2.736  -0.560
  118    HB3  ASN  14           HB1      ASN  14  -1.887  -3.337  -1.387
  119   HD21  ASN  14          HD21      ASN  14   0.498  -4.915  -3.855
  120   HD22  ASN  14          HD22      ASN  14  -0.521  -3.524  -3.960
  121    H    ARG  15           HN       ARG  15  -0.240  -0.062  -0.631
  122    HA   ARG  15           HA       ARG  15  -1.208   1.640   0.517
  123    HB2  ARG  15           HB2      ARG  15  -1.546   2.604  -1.711
  124    HB3  ARG  15           HB1      ARG  15  -3.068   1.737  -1.865
  125    HG2  ARG  15           HG2      ARG  15  -3.992   3.003   0.001
  126    HG3  ARG  15           HG1      ARG  15  -2.461   3.862   0.180
  127    HD2  ARG  15           HD1      ARG  15  -4.250   3.915  -2.247
  128    HD3  ARG  15           HD2      ARG  15  -4.091   5.200  -1.050
  129    HE   ARG  15           HE       ARG  15  -1.550   4.657  -2.053
  130   HH11  ARG  15          HH11      ARG  15  -4.600   5.910  -3.179
  131   HH12  ARG  15          HH12      ARG  15  -3.886   6.915  -4.396
  132   HH21  ARG  15          HH21      ARG  15  -0.600   5.977  -3.653
  133   HH22  ARG  15          HH22      ARG  15  -1.611   6.952  -4.665
  134    H    HIS  16           HN       HIS  16  -2.108   0.972   2.349
  135    HA   HIS  16           HA       HIS  16  -4.934   0.437   2.438
  136    HB2  HIS  16           HB2      HIS  16  -4.689  -1.754   3.594
  137    HB3  HIS  16           HB1      HIS  16  -4.177  -1.798   1.911
  138    HD1  HIS  16           HD1      HIS  16  -1.498  -1.670   1.548
  139    HD2  HIS  16           HD2      HIS  16  -2.817  -2.634   5.368
  140    HE1  HIS  16           HE1      HIS  16   0.488  -2.689   2.708
  141    HE2  HIS  16           HE2      HIS  16  -0.332  -3.264   5.020
  142    H    SER  17           HN       SER  17  -5.815   0.879   4.418
  143    HA   SER  17           HA       SER  17  -3.923   1.656   6.540
  144    HB2  SER  17           HB2      SER  17  -6.604   2.901   5.877
  145    HB3  SER  17           HB1      SER  17  -5.568   3.369   7.226
  146    HG   SER  17           HG       SER  17  -4.533   4.589   5.884
  147    H    THR  18           HN       THR  18  -6.412  -0.415   5.667
  148    HA   THR  18           HA       THR  18  -7.658  -1.955   6.782
  149    HB   THR  18           HB       THR  18  -5.777  -1.390   9.082
  150    HG1  THR  18           HG1      THR  18  -5.655  -3.288   6.956
  151   HG21  THR  18          HG21      THR  18  -7.549  -3.770   8.510
  152   HG22  THR  18          HG22      THR  18  -7.791  -2.580   9.789
  153   HG23  THR  18          HG23      THR  18  -6.388  -3.648   9.832
  154    H    ALA  19           HN       ALA  19  -9.639  -1.035   6.950
  155    HA   ALA  19           HA       ALA  19 -10.300   0.176   9.531
  156    HB1  ALA  19           HB1      ALA  19  -9.900   2.043   7.996
  157    HB2  ALA  19           HB2      ALA  19 -11.592   1.955   8.487
  158    HB3  ALA  19           HB3      ALA  19 -11.107   1.388   6.889
  159    H    ILE  20           HN       ILE  20 -11.950  -0.883  10.389
  160    HA   ILE  20           HA       ILE  20 -13.636  -2.551   8.700
  161    HB   ILE  20           HB       ILE  20 -13.595  -2.292  11.711
  162   HG12  ILE  20          HG12      ILE  20 -12.392  -4.435   9.943
  163   HG13  ILE  20          HG11      ILE  20 -11.475  -3.153  10.727
  164   HG21  ILE  20          HG21      ILE  20 -14.851  -4.398  11.686
  165   HG22  ILE  20          HG22      ILE  20 -14.901  -4.341   9.924
  166   HG23  ILE  20          HG23      ILE  20 -15.729  -3.104  10.870
  167   HD11  ILE  20          HD11      ILE  20 -11.296  -5.227  11.960
  168   HD12  ILE  20          HD12      ILE  20 -13.051  -5.304  12.118
  169   HD13  ILE  20          HD13      ILE  20 -12.149  -4.013  12.912
  170    H    GLY  21           HN       GLY  21 -15.434  -1.731   7.861
  171    HA2  GLY  21           HA1      GLY  21 -17.658  -0.863   9.052
  172    HA3  GLY  21           HA2      GLY  21 -16.688   0.602   9.071
  173    H    ARG  22           HN       ARG  22 -16.849   1.910   7.374
  174    HA   ARG  22           HA       ARG  22 -17.433   0.827   4.735
  175    HB2  ARG  22           HB2      ARG  22 -19.648   1.249   5.722
  176    HB3  ARG  22           HB1      ARG  22 -19.188   2.916   6.040
  177    HG2  ARG  22           HG1      ARG  22 -18.959   3.311   3.639
  178    HG3  ARG  22           HG2      ARG  22 -19.429   1.639   3.323
  179    HD2  ARG  22           HD2      ARG  22 -21.121   3.734   4.682
  180    HD3  ARG  22           HD1      ARG  22 -21.316   3.158   3.028
  181    HE   ARG  22           HE       ARG  22 -21.448   0.934   4.680
  182   HH11  ARG  22          HH11      ARG  22 -23.241   3.875   4.154
  183   HH12  ARG  22          HH12      ARG  22 -24.756   3.190   4.639
  184   HH21  ARG  22          HH21      ARG  22 -24.868   1.001   5.302
  185   HH22  ARG  22          HH22      ARG  22 -23.439   0.024   5.320
  Start of MODEL   19
    1    H1   ACE   0           HA1      ACE   0   4.213   0.670  13.077
    2    H2   ACE   0           HA2      ACE   0   5.647   1.571  13.566
    3    H3   ACE   0           HA3      ACE   0   5.850   0.034  12.728
    4    H    MET   1           HN       MET   1   7.224   1.755  11.509
    5    HA   MET   1           HA       MET   1   5.614   3.172   9.523
    6    HB2  MET   1           HB2      MET   1   8.564   3.242  10.158
    7    HB3  MET   1           HB1      MET   1   7.845   4.105   8.807
    8    HG2  MET   1           HG2      MET   1   8.124   5.635  10.606
    9    HG3  MET   1           HG1      MET   1   6.401   5.315  10.421
   10    HE1  MET   1           HE1      MET   1   7.687   6.688  13.005
   11    HE2  MET   1           HE2      MET   1   6.796   5.863  14.284
   12    HE3  MET   1           HE3      MET   1   5.960   6.381  12.820
   13    H    ASN   2           HN       ASN   2   5.075   2.111   7.746
   14    HA   ASN   2           HA       ASN   2   7.062   0.325   6.511
   15    HB2  ASN   2           HB2      ASN   2   5.377  -1.088   7.559
   16    HB3  ASN   2           HB1      ASN   2   4.089  -0.183   6.767
   17   HD21  ASN   2          HD21      ASN   2   4.562  -1.679   3.594
   18   HD22  ASN   2          HD22      ASN   2   4.044  -0.240   4.397
   19    H    TRP   3           HN       TRP   3   5.016   2.977   6.202
   20    HA   TRP   3           HA       TRP   3   3.835   3.029   3.824
   21    HB2  TRP   3           HB1      TRP   3   4.554   5.400   3.551
   22    HB3  TRP   3           HB2      TRP   3   3.886   5.014   5.132
   23    HD1  TRP   3           HD1      TRP   3   5.709   4.840   7.180
   24    HE1  TRP   3           HE1      TRP   3   7.918   6.121   7.515
   25    HE3  TRP   3           HE3      TRP   3   6.478   6.273   2.395
   26    HZ2  TRP   3           HZ2      TRP   3   9.752   7.567   5.909
   27    HZ3  TRP   3           HZ3      TRP   3   8.481   7.607   1.839
   28    HH2  TRP   3           HH2      TRP   3  10.090   8.234   3.569
   29    H    THR   4           HN       THR   4   7.242   4.011   4.004
   30    HA   THR   4           HA       THR   4   8.610   4.350   2.131
   31    HB   THR   4           HB       THR   4   8.553   1.340   2.302
   32    HG1  THR   4           HG1      THR   4   9.346   3.263   4.198
   33   HG21  THR   4          HG21      THR   4  10.788   3.331   1.883
   34   HG22  THR   4          HG22      THR   4  10.071   2.301   0.644
   35   HG23  THR   4          HG23      THR   4  10.977   1.580   1.974
   36    H    GLY   5           HN       GLY   5   6.095   4.604   1.049
   37    HA2  GLY   5           HA2      GLY   5   6.507   3.687  -1.627
   38    HA3  GLY   5           HA1      GLY   5   5.224   2.792  -0.824
   39    H    LEU   6           HN       LEU   6   5.628   6.060   0.150
   40    HA   LEU   6           HA       LEU   6   3.197   6.782  -1.347
   41    HB2  LEU   6           HB1      LEU   6   3.084   8.645   0.377
   42    HB3  LEU   6           HB2      LEU   6   2.770   7.016   0.940
   43    HG   LEU   6           HG       LEU   6   5.264   6.997   1.605
   44   HD11  LEU   6          HD11      LEU   6   4.803   9.964   1.380
   45   HD12  LEU   6          HD12      LEU   6   5.949   9.006   0.442
   46   HD13  LEU   6          HD13      LEU   6   6.176   9.198   2.181
   47   HD21  LEU   6          HD21      LEU   6   3.326   8.751   3.095
   48   HD22  LEU   6          HD22      LEU   6   4.764   7.978   3.766
   49   HD23  LEU   6          HD23      LEU   6   3.417   6.992   3.194
   50    H    TYR   7           HN       TYR   7   6.140   6.950  -2.146
   51    HA   TYR   7           HA       TYR   7   5.999   9.681  -3.129
   52    HB2  TYR   7           HB2      TYR   7   8.446   9.962  -2.680
   53    HB3  TYR   7           HB1      TYR   7   7.439   9.868  -1.239
   54    HD1  TYR   7           HD1      TYR   7   7.021   7.195  -0.644
   55    HD2  TYR   7           HD2      TYR   7  10.501   8.923  -2.361
   56    HE1  TYR   7           HE1      TYR   7   8.325   5.334   0.171
   57    HE2  TYR   7           HE2      TYR   7  11.849   7.042  -1.518
   58    HH   TYR   7           HH       TYR   7  11.733   5.334   0.243
   59    H    THR   8           HN       THR   8   7.912   6.677  -3.381
   60    HA   THR   8           HA       THR   8   8.183   7.225  -6.269
   61    HB   THR   8           HB       THR   8  10.172   5.751  -6.216
   62    HG1  THR   8           HG1      THR   8   9.335   4.766  -4.124
   63   HG21  THR   8          HG21      THR   8  11.649   7.316  -4.942
   64   HG22  THR   8          HG22      THR   8  10.197   8.121  -4.346
   65   HG23  THR   8          HG23      THR   8  10.558   8.118  -6.072
   66    H    LEU   9           HN       LEU   9   6.074   5.690  -4.645
   67    HA   LEU   9           HA       LEU   9   6.055   3.383  -6.418
   68    HB2  LEU   9           HB2      LEU   9   5.764   3.215  -3.437
   69    HB3  LEU   9           HB1      LEU   9   5.351   1.911  -4.534
   70    HG   LEU   9           HG       LEU   9   8.112   3.116  -4.353
   71   HD11  LEU   9          HD21      LEU   9   7.039   0.642  -3.016
   72   HD12  LEU   9          HD22      LEU   9   7.514   2.138  -2.212
   73   HD13  LEU   9          HD23      LEU   9   8.725   1.158  -3.039
   74   HD21  LEU   9          HD11      LEU   9   7.630   1.992  -6.453
   75   HD22  LEU   9          HD12      LEU   9   7.087   0.560  -5.579
   76   HD23  LEU   9          HD13      LEU   9   8.777   1.055  -5.496
   77    H    LEU  10           HN       LEU  10   4.275   4.876  -3.805
   78    HA   LEU  10           HA       LEU  10   2.020   5.048  -3.408
   79    HB2  LEU  10           HB1      LEU  10   2.310   6.165  -6.187
   80    HB3  LEU  10           HB2      LEU  10   0.910   6.416  -5.161
   81    HG   LEU  10           HG       LEU  10   2.458   7.470  -3.474
   82   HD11  LEU  10          HD21      LEU  10   4.590   6.701  -4.009
   83   HD12  LEU  10          HD22      LEU  10   4.594   8.381  -4.550
   84   HD13  LEU  10          HD23      LEU  10   4.395   7.079  -5.722
   85   HD21  LEU  10          HD11      LEU  10   2.599   9.603  -4.671
   86   HD22  LEU  10          HD12      LEU  10   1.042   8.814  -4.926
   87   HD23  LEU  10          HD13      LEU  10   2.272   8.767  -6.190
   88    H    SER  11           HN       SER  11   1.589   4.546  -6.873
   89    HA   SER  11           HA       SER  11  -0.501   2.646  -6.400
   90    HB2  SER  11           HB1      SER  11  -0.641   2.528  -8.865
   91    HB3  SER  11           HB2      SER  11  -0.630   4.195  -8.290
   92    HG   SER  11           HG       SER  11   1.315   4.494  -9.126
   93    H    ARG  12           HN       ARG  12   2.603   2.203  -5.943
   94    HA   ARG  12           HA       ARG  12   2.690  -0.468  -7.177
   95    HB2  ARG  12           HB1      ARG  12   5.026   1.196  -6.226
   96    HB3  ARG  12           HB2      ARG  12   5.113  -0.339  -7.077
   97    HG2  ARG  12           HG2      ARG  12   4.238   0.654  -9.076
   98    HG3  ARG  12           HG1      ARG  12   3.941   2.179  -8.236
   99    HD2  ARG  12           HD1      ARG  12   6.348   2.431  -7.851
  100    HD3  ARG  12           HD2      ARG  12   6.641   0.910  -8.694
  101    HE   ARG  12           HE       ARG  12   5.230   2.521 -10.445
  102   HH11  ARG  12          HH11      ARG  12   9.083   3.523 -10.019
  103   HH12  ARG  12          HH12      ARG  12   8.294   2.596  -8.788
  104   HH21  ARG  12          HH21      ARG  12   7.928   4.176 -11.885
  105   HH22  ARG  12          HH22      ARG  12   6.261   3.743 -12.071
  106    H    VAL  13           HN       VAL  13   1.771   0.808  -4.455
  107    HA   VAL  13           HA       VAL  13   3.216  -1.025  -2.680
  108    HB   VAL  13           HB       VAL  13   1.345   1.090  -1.689
  109   HG11  VAL  13          HG11      VAL  13   2.218  -0.398  -0.033
  110   HG12  VAL  13          HG12      VAL  13   3.037   1.156   0.150
  111   HG13  VAL  13          HG13      VAL  13   3.860  -0.189  -0.638
  112   HG21  VAL  13          HG21      VAL  13   3.173   2.711  -1.668
  113   HG22  VAL  13          HG22      VAL  13   2.748   2.237  -3.313
  114   HG23  VAL  13          HG23      VAL  13   4.193   1.575  -2.550
  115    H    ASN  14           HN       ASN  14   0.667  -0.324  -0.937
  116    HA   ASN  14           HA       ASN  14  -0.625  -2.836  -1.461
  117    HB2  ASN  14           HB2      ASN  14  -2.151  -2.028   0.445
  118    HB3  ASN  14           HB1      ASN  14  -0.460  -2.333   0.825
  119   HD21  ASN  14          HD21      ASN  14  -1.548   0.477  -0.945
  120   HD22  ASN  14          HD22      ASN  14  -1.194   1.628   0.293
  121    H    ARG  15           HN       ARG  15  -0.894   0.106  -2.883
  122    HA   ARG  15           HA       ARG  15  -2.397   1.059  -4.293
  123    HB2  ARG  15           HB2      ARG  15  -2.575  -1.213  -5.225
  124    HB3  ARG  15           HB1      ARG  15  -3.836  -1.591  -4.060
  125    HG2  ARG  15           HG2      ARG  15  -4.832  -1.114  -6.189
  126    HG3  ARG  15           HG1      ARG  15  -5.243   0.173  -5.056
  127    HD2  ARG  15           HD2      ARG  15  -3.464   1.567  -6.003
  128    HD3  ARG  15           HD1      ARG  15  -3.071   0.283  -7.145
  129    HE   ARG  15           HE       ARG  15  -5.784   0.913  -7.416
  130   HH11  ARG  15          HH11      ARG  15  -2.655   2.338  -7.984
  131   HH12  ARG  15          HH12      ARG  15  -3.202   3.328  -9.296
  132   HH21  ARG  15          HH21      ARG  15  -6.513   2.214  -9.140
  133   HH22  ARG  15          HH22      ARG  15  -5.395   3.257  -9.953
  134    H    HIS  16           HN       HIS  16  -4.404   2.165  -4.318
  135    HA   HIS  16           HA       HIS  16  -5.469   2.636  -1.692
  136    HB2  HIS  16           HB2      HIS  16  -6.288   3.767  -4.377
  137    HB3  HIS  16           HB1      HIS  16  -6.855   4.347  -2.814
  138    HD1  HIS  16           HD1      HIS  16  -4.118   4.698  -5.226
  139    HD2  HIS  16           HD2      HIS  16  -4.787   5.600  -1.225
  140    HE1  HIS  16           HE1      HIS  16  -2.312   6.329  -4.594
  141    HE2  HIS  16           HE2      HIS  16  -2.735   6.862  -2.168
  142    H    SER  17           HN       SER  17  -6.903   1.295  -0.824
  143    HA   SER  17           HA       SER  17  -8.781  -0.140  -2.540
  144    HB2  SER  17           HB1      SER  17  -9.282  -1.466  -0.516
  145    HB3  SER  17           HB2      SER  17  -7.556  -1.457  -0.880
  146    HG   SER  17           HG       SER  17  -8.941  -0.290   1.234
  147    H    THR  18           HN       THR  18  -8.659   2.430  -0.228
  148    HA   THR  18           HA       THR  18 -10.207   3.905   0.541
  149    HB   THR  18           HB       THR  18 -11.972   2.863  -1.683
  150    HG1  THR  18           HG1      THR  18  -9.741   4.527  -1.665
  151   HG21  THR  18          HG21      THR  18 -11.976   5.470  -0.156
  152   HG22  THR  18          HG22      THR  18 -13.195   4.199  -0.064
  153   HG23  THR  18          HG23      THR  18 -12.985   5.114  -1.557
  154    H    ALA  19           HN       ALA  19 -12.675   1.674  -0.618
  155    HA   ALA  19           HA       ALA  19 -14.334   0.547   0.460
  156    HB1  ALA  19           HB1      ALA  19 -13.666  -0.839   2.349
  157    HB2  ALA  19           HB2      ALA  19 -12.176   0.089   2.516
  158    HB3  ALA  19           HB3      ALA  19 -12.450  -0.888   1.073
  159    H    ILE  20           HN       ILE  20 -13.816   3.447   1.118
  160    HA   ILE  20           HA       ILE  20 -15.513   3.530   3.513
  161    HB   ILE  20           HB       ILE  20 -13.249   4.070   4.247
  162   HG12  ILE  20          HG11      ILE  20 -13.698   6.337   5.188
  163   HG13  ILE  20          HG12      ILE  20 -15.091   6.467   4.118
  164   HG21  ILE  20          HG21      ILE  20 -13.356   6.273   2.194
  165   HG22  ILE  20          HG22      ILE  20 -12.331   4.840   2.135
  166   HG23  ILE  20          HG23      ILE  20 -12.084   6.050   3.393
  167   HD11  ILE  20          HD11      ILE  20 -15.758   5.844   6.364
  168   HD12  ILE  20          HD12      ILE  20 -14.722   4.419   6.291
  169   HD13  ILE  20          HD13      ILE  20 -16.118   4.551   5.220
  170    H    GLY  21           HN       GLY  21 -17.088   5.095   3.522
  171    HA2  GLY  21           HA1      GLY  21 -17.297   6.703   1.051
  172    HA3  GLY  21           HA2      GLY  21 -18.682   6.010   1.881
  173    H    ARG  22           HN       ARG  22 -16.321   8.563   1.862
  174    HA   ARG  22           HA       ARG  22 -17.541   9.810   4.212
  175    HB2  ARG  22           HB1      ARG  22 -15.099  10.609   2.617
  176    HB3  ARG  22           HB2      ARG  22 -15.667  11.410   4.075
  177    HG2  ARG  22           HG1      ARG  22 -14.767   8.541   3.918
  178    HG3  ARG  22           HG2      ARG  22 -13.784   9.889   4.492
  179    HD2  ARG  22           HD2      ARG  22 -15.399  10.308   6.279
  180    HD3  ARG  22           HD1      ARG  22 -16.385   8.964   5.705
  181    HE   ARG  22           HE       ARG  22 -13.790   8.032   6.218
  182   HH11  ARG  22          HH11      ARG  22 -16.589   9.225   7.916
  183   HH12  ARG  22          HH12      ARG  22 -16.255   8.328   9.360
  184   HH21  ARG  22          HH21      ARG  22 -14.410   6.979   9.474
  185   HH22  ARG  22          HH22      ARG  22 -13.342   6.848   8.116
  Start of MODEL   20
    1    H1   ACE   0           HA1      ACE   0   5.206  -2.917  11.988
    2    H2   ACE   0           HA2      ACE   0   5.670  -3.847  10.565
    3    H3   ACE   0           HA3      ACE   0   4.105  -4.154  11.312
    4    H    MET   1           HN       MET   1   6.003  -1.829   9.485
    5    HA   MET   1           HA       MET   1   3.508  -0.791   8.363
    6    HB2  MET   1           HB2      MET   1   4.554   1.537   8.439
    7    HB3  MET   1           HB1      MET   1   3.942   0.890   9.954
    8    HG2  MET   1           HG2      MET   1   6.830   0.694   9.161
    9    HG3  MET   1           HG1      MET   1   6.170   2.076  10.031
   10    HE1  MET   1           HE1      MET   1   7.950   1.706  11.972
   11    HE2  MET   1           HE2      MET   1   8.610   0.323  11.100
   12    HE3  MET   1           HE3      MET   1   8.181   0.167  12.803
   13    H    ASN   2           HN       ASN   2   3.947  -1.897   6.448
   14    HA   ASN   2           HA       ASN   2   6.407  -1.158   5.037
   15    HB2  ASN   2           HB1      ASN   2   6.172  -3.490   4.958
   16    HB3  ASN   2           HB2      ASN   2   4.439  -3.399   4.665
   17   HD21  ASN   2          HD21      ASN   2   6.700  -1.357   2.954
   18   HD22  ASN   2          HD22      ASN   2   6.530  -2.123   1.415
   19    H    TRP   3           HN       TRP   3   6.397   0.288   3.524
   20    HA   TRP   3           HA       TRP   3   4.305   0.586   1.626
   21    HB2  TRP   3           HB2      TRP   3   3.845   2.996   2.168
   22    HB3  TRP   3           HB1      TRP   3   3.154   1.828   3.285
   23    HD1  TRP   3           HD1      TRP   3   4.439   1.604   5.707
   24    HE1  TRP   3           HE1      TRP   3   5.647   3.411   7.083
   25    HE3  TRP   3           HE3      TRP   3   5.269   4.958   1.997
   26    HZ2  TRP   3           HZ2      TRP   3   6.804   5.945   6.629
   27    HZ3  TRP   3           HZ3      TRP   3   6.440   7.066   2.528
   28    HH2  TRP   3           HH2      TRP   3   7.197   7.544   4.803
   29    H    THR   4           HN       THR   4   6.705   2.739   3.093
   30    HA   THR   4           HA       THR   4   8.049   4.241   1.916
   31    HB   THR   4           HB       THR   4   9.397   1.621   1.270
   32    HG1  THR   4           HG1      THR   4   8.907   2.869   3.754
   33   HG21  THR   4          HG21      THR   4  10.529   3.639   0.478
   34   HG22  THR   4          HG22      THR   4  11.438   2.891   1.790
   35   HG23  THR   4          HG23      THR   4  10.461   4.327   2.100
   36    H    GLY   5           HN       GLY   5   5.916   3.840   0.208
   37    HA2  GLY   5           HA2      GLY   5   7.122   4.283  -2.335
   38    HA3  GLY   5           HA1      GLY   5   6.378   2.693  -2.250
   39    H    LEU   6           HN       LEU   6   4.935   5.218  -0.395
   40    HA   LEU   6           HA       LEU   6   2.702   5.328  -2.312
   41    HB2  LEU   6           HB1      LEU   6   1.466   6.246  -0.277
   42    HB3  LEU   6           HB2      LEU   6   1.877   4.542  -0.277
   43    HG   LEU   6           HG       LEU   6   3.948   5.238   1.074
   44   HD11  LEU   6          HD11      LEU   6   2.250   7.696   1.454
   45   HD12  LEU   6          HD12      LEU   6   3.844   7.624   0.705
   46   HD13  LEU   6          HD13      LEU   6   3.661   7.270   2.424
   47   HD21  LEU   6          HD21      LEU   6   1.212   5.485   2.299
   48   HD22  LEU   6          HD22      LEU   6   2.713   5.159   3.168
   49   HD23  LEU   6          HD23      LEU   6   2.092   3.984   2.008
   50    H    TYR   7           HN       TYR   7   5.236   6.929  -2.247
   51    HA   TYR   7           HA       TYR   7   4.005   9.532  -2.572
   52    HB2  TYR   7           HB2      TYR   7   5.819  10.619  -1.258
   53    HB3  TYR   7           HB1      TYR   7   4.763   9.592  -0.291
   54    HD1  TYR   7           HD1      TYR   7   5.673   6.974  -0.564
   55    HD2  TYR   7           HD2      TYR   7   8.013  10.516  -0.463
   56    HE1  TYR   7           HE1      TYR   7   7.563   5.674   0.166
   57    HE2  TYR   7           HE2      TYR   7   9.955   9.208   0.308
   58    HH   TYR   7           HH       TYR   7  10.398   7.066   1.445
   59    H    THR   8           HN       THR   8   6.858   7.485  -3.000
   60    HA   THR   8           HA       THR   8   7.642   9.199  -5.270
   61    HB   THR   8           HB       THR   8   9.981   8.363  -4.897
   62    HG1  THR   8           HG1      THR   8   9.125   6.591  -3.456
   63   HG21  THR   8          HG21      THR   8   8.658   9.974  -2.714
   64   HG22  THR   8          HG22      THR   8   9.399  10.589  -4.191
   65   HG23  THR   8          HG23      THR   8  10.402   9.851  -2.941
   66    H    LEU   9           HN       LEU   9   6.038   6.554  -4.928
   67    HA   LEU   9           HA       LEU   9   7.129   5.343  -7.316
   68    HB2  LEU   9           HB1      LEU   9   6.986   3.911  -4.687
   69    HB3  LEU   9           HB2      LEU   9   6.942   3.040  -6.209
   70    HG   LEU   9           HG       LEU   9   9.191   4.850  -5.315
   71   HD11  LEU   9          HD21      LEU   9   9.013   1.846  -5.399
   72   HD12  LEU   9          HD22      LEU   9   9.065   2.847  -3.949
   73   HD13  LEU   9          HD23      LEU   9  10.459   2.782  -5.025
   74   HD21  LEU   9          HD11      LEU   9   8.961   4.765  -7.737
   75   HD22  LEU   9          HD12      LEU   9   8.955   3.002  -7.686
   76   HD23  LEU   9          HD13      LEU   9  10.401   3.892  -7.213
   77    H    LEU  10           HN       LEU  10   4.772   5.179  -4.787
   78    HA   LEU  10           HA       LEU  10   2.555   4.703  -4.718
   79    HB2  LEU  10           HB2      LEU  10   2.415   5.621  -7.567
   80    HB3  LEU  10           HB1      LEU  10   1.226   5.817  -6.292
   81    HG   LEU  10           HG       LEU  10   3.788   7.330  -6.715
   82   HD11  LEU  10          HD11      LEU  10   0.947   8.205  -6.219
   83   HD12  LEU  10          HD12      LEU  10   1.757   8.168  -7.785
   84   HD13  LEU  10          HD13      LEU  10   2.324   9.264  -6.526
   85   HD21  LEU  10          HD21      LEU  10   2.180   7.186  -4.167
   86   HD22  LEU  10          HD22      LEU  10   3.422   8.389  -4.511
   87   HD23  LEU  10          HD23      LEU  10   3.860   6.683  -4.387
   88    H    SER  11           HN       SER  11   4.543   2.787  -6.129
   89    HA   SER  11           HA       SER  11   2.506   1.046  -7.354
   90    HB2  SER  11           HB2      SER  11   4.335   1.637  -8.898
   91    HB3  SER  11           HB1      SER  11   5.515   1.029  -7.737
   92    HG   SER  11           HG       SER  11   3.571  -0.794  -8.310
   93    H    ARG  12           HN       ARG  12   4.014   1.642  -4.579
   94    HA   ARG  12           HA       ARG  12   4.279  -1.179  -3.796
   95    HB2  ARG  12           HB1      ARG  12   5.556   1.327  -2.709
   96    HB3  ARG  12           HB2      ARG  12   5.629  -0.221  -1.874
   97    HG2  ARG  12           HG1      ARG  12   6.822  -1.203  -3.740
   98    HG3  ARG  12           HG2      ARG  12   6.690   0.308  -4.643
   99    HD2  ARG  12           HD2      ARG  12   8.054   1.455  -3.022
  100    HD3  ARG  12           HD1      ARG  12   8.087   0.027  -1.987
  101    HE   ARG  12           HE       ARG  12   9.128  -0.471  -4.608
  102   HH11  ARG  12          HH11      ARG  12  11.587   0.443  -1.584
  103   HH12  ARG  12          HH12      ARG  12   9.891   0.762  -1.440
  104   HH21  ARG  12          HH21      ARG  12  11.359  -0.896  -4.806
  105   HH22  ARG  12          HH22      ARG  12  12.421  -0.500  -3.497
  106    H    VAL  13           HN       VAL  13   2.142   1.215  -3.744
  107    HA   VAL  13           HA       VAL  13   1.128   0.559  -1.076
  108    HB   VAL  13           HB       VAL  13   1.648   2.863  -1.094
  109   HG11  VAL  13          HG21      VAL  13   1.840   3.143  -3.512
  110   HG12  VAL  13          HG22      VAL  13   0.881   4.427  -2.779
  111   HG13  VAL  13          HG23      VAL  13   0.084   3.117  -3.649
  112   HG21  VAL  13          HG11      VAL  13  -0.493   2.293  -0.065
  113   HG22  VAL  13          HG12      VAL  13  -1.306   2.606  -1.599
  114   HG23  VAL  13          HG13      VAL  13  -0.505   3.922  -0.741
  115    H    ASN  14           HN       ASN  14  -0.106  -1.187  -1.671
  116    HA   ASN  14           HA       ASN  14  -1.879  -1.273  -3.852
  117    HB2  ASN  14           HB1      ASN  14  -2.838  -3.222  -2.814
  118    HB3  ASN  14           HB2      ASN  14  -1.102  -3.260  -2.527
  119   HD21  ASN  14          HD21      ASN  14  -1.222  -1.201  -0.462
  120   HD22  ASN  14          HD22      ASN  14  -1.890  -1.966   0.935
  121    H    ARG  15           HN       ARG  15  -1.930   0.707  -1.240
  122    HA   ARG  15           HA       ARG  15  -3.414   2.192  -0.405
  123    HB2  ARG  15           HB2      ARG  15  -5.203   1.234  -2.649
  124    HB3  ARG  15           HB1      ARG  15  -5.474   2.667  -1.668
  125    HG2  ARG  15           HG2      ARG  15  -3.419   3.657  -2.523
  126    HG3  ARG  15           HG1      ARG  15  -3.122   2.212  -3.492
  127    HD2  ARG  15           HD2      ARG  15  -5.208   2.607  -4.713
  128    HD3  ARG  15           HD1      ARG  15  -5.495   4.056  -3.749
  129    HE   ARG  15           HE       ARG  15  -2.994   4.338  -4.918
  130   HH11  ARG  15          HH11      ARG  15  -6.313   4.050  -5.940
  131   HH12  ARG  15          HH12      ARG  15  -6.084   4.981  -7.382
  132   HH21  ARG  15          HH21      ARG  15  -2.684   5.567  -6.814
  133   HH22  ARG  15          HH22      ARG  15  -4.022   5.843  -7.879
  134    H    HIS  16           HN       HIS  16  -5.526   2.356   0.732
  135    HA   HIS  16           HA       HIS  16  -6.974   1.582   2.301
  136    HB2  HIS  16           HB2      HIS  16  -7.144  -0.795   0.436
  137    HB3  HIS  16           HB1      HIS  16  -8.272  -0.443   1.740
  138    HD1  HIS  16           HD1      HIS  16  -7.560   0.319  -1.774
  139    HD2  HIS  16           HD2      HIS  16  -9.862   1.930   1.287
  140    HE1  HIS  16           HE1      HIS  16  -9.180   1.878  -2.900
  141    HE2  HIS  16           HE2      HIS  16 -10.565   2.842  -1.029
  142    H    SER  17           HN       SER  17  -5.675   1.344   4.068
  143    HA   SER  17           HA       SER  17  -4.399  -1.278   4.462
  144    HB2  SER  17           HB2      SER  17  -3.009  -0.156   6.167
  145    HB3  SER  17           HB1      SER  17  -2.850   0.614   4.588
  146    HG   SER  17           HG       SER  17  -3.125   2.181   6.187
  147    H    THR  18           HN       THR  18  -5.076  -2.599   6.039
  148    HA   THR  18           HA       THR  18  -6.430  -1.657   8.382
  149    HB   THR  18           HB       THR  18  -8.326  -1.548   6.873
  150    HG1  THR  18           HG1      THR  18  -8.231  -2.979   9.072
  151   HG21  THR  18          HG21      THR  18  -7.761  -4.455   6.276
  152   HG22  THR  18          HG22      THR  18  -7.527  -3.109   5.161
  153   HG23  THR  18          HG23      THR  18  -9.151  -3.534   5.702
  154    H    ALA  19           HN       ALA  19  -6.659  -3.248   9.973
  155    HA   ALA  19           HA       ALA  19  -6.083  -5.108  11.145
  156    HB1  ALA  19           HB1      ALA  19  -6.305  -6.485   8.471
  157    HB2  ALA  19           HB2      ALA  19  -7.634  -6.199   9.594
  158    HB3  ALA  19           HB3      ALA  19  -6.309  -7.268  10.051
  159    H    ILE  20           HN       ILE  20  -4.054  -4.747  11.862
  160    HA   ILE  20           HA       ILE  20  -1.789  -5.242  10.079
  161    HB   ILE  20           HB       ILE  20  -1.794  -4.152  12.897
  162   HG12  ILE  20          HG12      ILE  20  -1.484  -2.684  10.267
  163   HG13  ILE  20          HG11      ILE  20  -2.951  -2.694  11.240
  164   HG21  ILE  20          HG21      ILE  20   0.312  -5.208  12.317
  165   HG22  ILE  20          HG22      ILE  20   0.506  -3.457  12.375
  166   HG23  ILE  20          HG23      ILE  20   0.390  -4.280  10.821
  167   HD11  ILE  20          HD11      ILE  20  -0.281  -1.586  12.072
  168   HD12  ILE  20          HD12      ILE  20  -1.737  -1.613  13.066
  169   HD13  ILE  20          HD13      ILE  20  -1.699  -0.655  11.585
  170    H    GLY  21           HN       GLY  21  -0.528  -7.000  10.218
  171    HA2  GLY  21           HA2      GLY  21  -0.635  -8.637  12.654
  172    HA3  GLY  21           HA1      GLY  21  -1.015  -9.392  11.114
  173    H    ARG  22           HN       ARG  22   0.689 -10.815  11.098
  174    HA   ARG  22           HA       ARG  22   3.396  -9.791  11.388
  175    HB2  ARG  22           HB1      ARG  22   3.996 -12.241  11.028
  176    HB3  ARG  22           HB2      ARG  22   3.093 -11.853  12.485
  177    HG2  ARG  22           HG1      ARG  22   1.026 -12.590  11.386
  178    HG3  ARG  22           HG2      ARG  22   1.959 -13.016   9.949
  179    HD2  ARG  22           HD1      ARG  22   1.528 -14.986  11.305
  180    HD3  ARG  22           HD2      ARG  22   3.253 -14.620  11.269
  181    HE   ARG  22           HE       ARG  22   2.253 -13.375  13.518
  182   HH11  ARG  22          HH11      ARG  22   2.554 -17.352  13.872
  183   HH12  ARG  22          HH12      ARG  22   2.474 -16.633  12.300
  184   HH21  ARG  22          HH21      ARG  22   2.357 -14.315  15.592
  185   HH22  ARG  22          HH22      ARG  22   2.487 -16.035  15.744