*HEADER    TRANSPORT PROTEIN                       19-JUN-16   5KJG              
*TITLE     CONNEXIN 26 G12R MUTANT NMR STRUCTURE                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GAP JUNCTION BETA-2 PROTEIN;                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: CONNEXIN-26,CX26;                                           
*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 26 G12R MUTANT, TRANSPORT PROTEIN                            
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    T.L.DOWD,T.A.BARGIELLO                                                
*REVDAT   1   28-SEP-16 5KJG    0                                                
# Restraints file 1: G12RNOEST.tbl
assign (RESID 1 AND NAME H1) (RESID 1 AND NAME HB#) 3.40 1.60 1.60  !     TG12RNOESY.94
assign (RESID 1 AND NAME HB#) (RESID 1 AND NAME HA) 2.75 0.95 0.95  !     TG12RNOESY.210
assign (RESID 1 AND NAME HG#) (RESID 1 AND NAME HA) 3.40 1.60 1.60  !     TG12RNOESY.180
assign (RESID 1 AND NAME H1) (RESID 1 AND NAME HA) 3.40 1.60 1.60  !     TG12RNOESY.12
assign (RESID 2 AND NAME HB1) (RESID 2 AND NAME HA) 2.40 0.60 0.60  !     TG12RNOESY.175
assign (RESID 2 AND NAME HN) (RESID 2 AND NAME HB2) 3.40 1.60 1.60  !     TG12RNOESY.70
assign (RESID 2 AND NAME HB2) (RESID 2 AND NAME HA) 2.40 0.60 0.60  !     TG12RNOESY.176
assign (RESID 2 AND NAME HN) (RESID 2 AND NAME HA) 2.75 0.95 0.95  !     TG12RNOESY.5
assign (RESID 2 AND NAME HN) (RESID 2 AND NAME HB1) 3.40 1.60 1.60  !     TG12RNOESY.68
assign (RESID 3 AND NAME HD1) (RESID 3 AND NAME HB2) 2.75 0.95 0.95  !     TG12RNOESY.77
assign (RESID 3 AND NAME HN) (RESID 3 AND NAME HB2) 2.75 0.95 0.95  !     TG12RNOESY.65
assign (RESID 3 AND NAME HD1) (RESID 3 AND NAME HB1) 2.40 0.60 0.60  !     TG12RNOESY.76
assign (RESID 3 AND NAME HD1) (RESID 3 AND NAME HA) 3.40 1.60 1.60  !     TG12RNOESY.38
assign (RESID 3 AND NAME HE3) (RESID 3 AND NAME HB2) 3.40 1.60 1.60  !     TG12RNOESY.73
assign (RESID 3 AND NAME HE3) (RESID 3 AND NAME HA) 2.75 0.95 0.95  !     TG12RNOESY.31
assign (RESID 3 AND NAME HE3) (RESID 3 AND NAME HB1) 3.40 1.60 1.60  !     TG12RNOESY.71
assign (RESID 3 AND NAME HB1) (RESID 3 AND NAME HA) 2.40 0.60 0.60  !     TG12RNOESY.164
assign (RESID 3 AND NAME HN) (RESID 3 AND NAME HA) 2.40 0.60 0.60  !     TG12RNOESY.7
assign (RESID 3 AND NAME HB2) (RESID 3 AND NAME HA) 2.40 0.60 0.60  !     TG12RNOESY.162
assign (RESID 3 AND NAME HN) (RESID 3 AND NAME HB2) 2.75 0.95 0.95  !     TG12RNOESY.63
assign (RESID 4 AND NAME HN) (RESID 4 AND NAME HA1) 2.40 0.60 0.60  !     TG12RNOESY.45
assign (RESID 4 AND NAME HN) (RESID 4 AND NAME HA2) 2.40 0.60 0.60  !     TG12RNOESY.46
assign (RESID 5 AND NAME HN) (RESID 5 AND NAME HA) 2.40 0.60 0.60  !     TG12RNOESY.28
assign (RESID 5 AND NAME HG1) (RESID 5 AND NAME HA) 2.40 0.60 0.60  !     TG12RNOESY.227
assign (RESID 5 AND NAME HN) (RESID 5 AND NAME HG1) 3.40 1.60 1.60  !     TG12RNOESY.114
assign (RESID 6 AND NAME HN) (RESID 6 AND NAME HB2) 2.40 0.60 0.60  !     TG12RNOESY.111
assign (RESID 6 AND NAME HD2#) (RESID 6 AND NAME HA) 2.75 0.95 0.95  !     TG12RNOESY.280
assign (RESID 6 AND NAME HB2) (RESID 6 AND NAME HA) 2.40 0.60 0.60  !     TG12RNOESY.213
assign (RESID 6 AND NAME HB1) (RESID 6 AND NAME HA) 2.40 0.60 0.60  !     TG12RNOESY.215
assign (RESID 6 AND NAME HN) (RESID 6 AND NAME HB1) 2.75 0.95 0.95  !     TG12RNOESY.109
assign (RESID 6 AND NAME HN) (RESID 6 AND NAME HD2#) 3.40 1.60 1.60  !     TG12RNOESY.124
assign (RESID 6 AND NAME HN) (RESID 6 AND NAME HD1#) 3.40 1.60 1.60  !     TG12RNOESY.126
assign (RESID 7 AND NAME HB2) (RESID 7 AND NAME HA) 2.75 0.95 0.95  !     TG12RNOESY.203
assign (RESID 7 AND NAME HN) (RESID 7 AND NAME HB2) 2.75 0.95 0.95  !     TG12RNOESY.85
assign (RESID 7 AND NAME HN) (RESID 7 AND NAME HA) 2.75 0.95 0.95  !     TG12RNOESY.19
assign (RESID 7 AND NAME HE2#) (RESID 7 AND NAME HG2) 3.40 1.60 1.60  !     TG12RNOESY.91
assign (RESID 7 AND NAME HE2#) (RESID 7 AND NAME HG2) 3.40 1.60 1.60  !     TG12RNOESY.90
assign (RESID 7 AND NAME HN) (RESID 7 AND NAME HB1) 3.40 1.60 1.60  !     TG12RNOESY.84
assign (RESID 7 AND NAME HB1) (RESID 7 AND NAME HA) 2.75 0.95 0.95  !     TG12RNOESY.202
assign (RESID 7 AND NAME HG2) (RESID 7 AND NAME HA) 2.75 0.95 0.95  !     TG12RNOESY.201
assign (RESID 7 AND NAME HN) (RESID 7 AND NAME HG2) 2.75 0.95 0.95  !     TG12RNOESY.82
assign (RESID 8 AND NAME HN) (RESID 8 AND NAME HG1) 3.40 1.60 1.60  !     TG12RNOESY.116
assign (RESID 8 AND NAME HG1) (RESID 8 AND NAME HA) 2.40 0.60 0.60  !     TG12RNOESY.226
assign (RESID 9 AND NAME HG12) (RESID 9 AND NAME HA) 2.75 0.95 0.95  !     TG12RNOESY.239
assign (RESID 9 AND NAME HN) (RESID 9 AND NAME HA) 2.40 0.60 0.60  !     TG12RNOESY.49
assign (RESID 9 AND NAME HD1#) (RESID 9 AND NAME HA) 3.40 1.60 1.60  !     TG12RNOESY.291
assign (RESID 9 AND NAME HB) (RESID 9 AND NAME HA) 2.40 0.60 0.60  !     TG12RNOESY.237
assign (RESID 9 AND NAME HG12) (RESID 9 AND NAME HA) 3.40 1.60 1.60  !     TG12RNOESY.238
assign (RESID 9 AND NAME HN) (RESID 9 AND NAME HB) 2.40 0.60 0.60  !     TG12RNOESY.89
assign (RESID 9 AND NAME HN) (RESID 9 AND NAME HG2#) 3.40 1.60 1.60  !     TG12RNOESY.125
assign (RESID 9 AND NAME HN) (RESID 9 AND NAME HG12) 2.75 0.95 0.95  !     TG12RNOESY.112
assign (RESID 9 AND NAME HG2#) (RESID 9 AND NAME HA) 2.40 0.60 0.60  !     TG12RNOESY.290
assign (RESID 9 AND NAME HN) (RESID 9 AND NAME HD1#) 3.40 1.60 1.60  !     TG12RNOESY.127
assign (RESID 10 AND NAME HN) (RESID 10 AND NAME HA) 2.40 0.60 0.60  !     TG12RNOESY.13
assign (RESID 10 AND NAME HD1#) (RESID 10 AND NAME HA) 2.40 0.60 0.60  !     TG12RNOESY.279
assign (RESID 10 AND NAME HN) (RESID 10 AND NAME HD1#) 3.40 1.60 1.60  !     TG12RNOESY.120
assign (RESID 10 AND NAME HB2) (RESID 10 AND NAME HA) 2.40 0.60 0.60  !     TG12RNOESY.212
assign (RESID 10 AND NAME HN) (RESID 10 AND NAME HB2) 2.75 0.95 0.95  !     TG12RNOESY.101
assign (RESID 10 AND NAME HN) (RESID 10 AND NAME HD2#) 2.75 0.95 0.95  !     TG12RNOESY.118
assign (RESID 10 AND NAME HN) (RESID 10 AND NAME HB1) 2.40 0.60 0.60  !     TG12RNOESY.97
assign (RESID 11 AND NAME HN) (RESID 11 AND NAME HA2) 2.40 0.60 0.60  !     TG12RNOESY.51
assign (RESID 12 AND NAME HN) (RESID 12 AND NAME HA) 2.75 0.95 0.95  !     TG12RNOESY.24
assign (RESID 12 AND NAME HN) (RESID 12 AND NAME HG2) 3.40 1.60 1.60  !     TG12RNOESY.135
assign (RESID 12 AND NAME HN) (RESID 12 AND NAME HB1) 3.40 1.60 1.60  !     TG12RNOESY.103
assign (RESID 12 AND NAME HN) (RESID 12 AND NAME HB2) 3.40 1.60 1.60  !     TG12RNOESY.106
assign (RESID 12 AND NAME HB1) (RESID 12 AND NAME HD2) 3.40 1.60 1.60  !     TG12RNOESY.250
assign (RESID 12 AND NAME HB2) (RESID 12 AND NAME HD2) 3.40 1.60 1.60  !     TG12RNOESY.251
assign (RESID 12 AND NAME HG2) (RESID 12 AND NAME HD2) 3.40 1.60 1.60  !     TG12RNOESY.252
assign (RESID 12 AND NAME HB2) (RESID 12 AND NAME HA) 2.75 0.95 0.95  !     TG12RNOESY.204
assign (RESID 12 AND NAME HG#) (RESID 12 AND NAME HA) 3.40 1.60 1.60  !     TG12RNOESY.206
assign (RESID 12 AND NAME HG2) (RESID 12 AND NAME HA) 3.40 1.60 1.60  !     TG12RNOESY.207
assign (RESID 12 AND NAME HB2) (RESID 12 AND NAME HA) 2.40 0.60 0.60  !     TG12RNOESY.208
assign (RESID 12 AND NAME HG#) (RESID 12 AND NAME HD2) 3.40 1.60 1.60  !     TG12RNOESY.253
assign (RESID 12 AND NAME HG2) (RESID 12 AND NAME HA) 3.40 1.60 1.60  !     TG12RNOESY.209
assign (RESID 13 AND NAME HN) (RESID 13 AND NAME HA) 2.40 0.60 0.60  !     TG12RNOESY.48
assign (RESID 13 AND NAME HN) (RESID 13 AND NAME HG1#) 3.40 1.60 1.60  !     TG12RNOESY.122
assign (RESID 13 AND NAME HN) (RESID 13 AND NAME HG2#) 2.75 0.95 0.95  !     TG12RNOESY.121
assign (RESID 13 AND NAME HG2#) (RESID 13 AND NAME HB) 2.40 0.60 0.60  !     TG12RNOESY.312
assign (RESID 13 AND NAME HN) (RESID 13 AND NAME HB) 2.75 0.95 0.95  !     TG12RNOESY.87
assign (RESID 13 AND NAME HG2#) (RESID 13 AND NAME HA) 2.75 0.95 0.95  !     TG12RNOESY.287
assign (RESID 13 AND NAME HG1#) (RESID 13 AND NAME HA) 2.75 0.95 0.95  !     TG12RNOESY.288
assign (RESID 13 AND NAME HB) (RESID 13 AND NAME HA) 2.40 0.60 0.60  !     TG12RNOESY.233
assign (RESID 14 AND NAME HB2) (RESID 14 AND NAME HA) 2.40 0.60 0.60  !     TG12RNOESY.169
assign (RESID 14 AND NAME HB1) (RESID 14 AND NAME HA) 2.40 0.60 0.60  !     TG12RNOESY.168
assign (RESID 14 AND NAME HD2#) (RESID 14 AND NAME HB2) 3.40 1.60 1.60  !     TG12RNOESY.75
assign (RESID 14 AND NAME HD2#) (RESID 14 AND NAME HB1) 3.40 1.60 1.60  !     TG12RNOESY.81
assign (RESID 14 AND NAME HN) (RESID 14 AND NAME HA) 3.40 1.60 1.60  !     TG12RNOESY.2
assign (RESID 14 AND NAME HD2#) (RESID 14 AND NAME HB1) 3.40 1.60 1.60  !     TG12RNOESY.74
assign (RESID 15 AND NAME HB1) (RESID 15 AND NAME HA) 2.40 0.60 0.60  !     TG12RNOESY.214
assign (RESID 15 AND NAME HN) (RESID 15 AND NAME HA) 3.40 1.60 1.60  !     TG12RNOESY.14
assign (RESID 15 AND NAME HG#) (RESID 15 AND NAME HA) 3.40 1.60 1.60  !     TG12RNOESY.225
assign (RESID 15 AND NAME HD#) (RESID 15 AND NAME HE#) 2.75 0.95 0.95  !     TG12RNOESY.260
assign (RESID 16 AND NAME HD1) (RESID 16 AND NAME HB1) 3.40 1.60 1.60  !     TG12RNOESY.78
assign (RESID 16 AND NAME HD1) (RESID 16 AND NAME HB2) 3.40 1.60 1.60  !     TG12RNOESY.79
assign (RESID 16 AND NAME HB1) (RESID 16 AND NAME HA) 2.40 0.60 0.60  !     TG12RNOESY.157
assign (RESID 16 AND NAME HB2) (RESID 16 AND NAME HA) 2.75 0.95 0.95  !     TG12RNOESY.158
assign (RESID 17 AND NAME HB2) (RESID 17 AND NAME HA) 2.75 0.95 0.95  !     TG12RNOESY.151
assign (RESID 18 AND NAME HG1) (RESID 18 AND NAME HB) 2.40 0.60 0.60  !     TG12RNOESY.224
assign (RESID 18 AND NAME HG1) (RESID 18 AND NAME HA) 2.40 0.60 0.60  !     TG12RNOESY.223
assign (RESID 18 AND NAME HN) (RESID 18 AND NAME HA) 3.40 1.60 1.60  !     TG12RNOESY.10
assign (RESID 20 AND NAME HN) (RESID 20 AND NAME HB) 3.40 1.60 1.60  !     TG12RNOESY.88
assign (RESID 20 AND NAME HN) (RESID 20 AND NAME HA) 2.40 0.60 0.60  !     TG12RNOESY.29
assign (RESID 20 AND NAME HG2#) (RESID 20 AND NAME HA) 3.40 1.60 1.60  !     TG12RNOESY.281
assign (RESID 21 AND NAME HN) (RESID 21 AND NAME HA2) 2.40 0.60 0.60  !     TG12RNOESY.43
assign (RESID 22 AND NAME HN) (RESID 22 AND NAME HA) 2.40 0.60 0.60  !     TG12RNOESY.34
assign (RESID 2 AND NAME HN) (RESID 1 AND NAME HA) 2.40 0.60 0.60  !     TG12RNOESY.11
assign (RESID 3 AND NAME HN) (RESID 2 AND NAME HB2) 3.40 1.60 1.60  !     TG12RNOESY.69
assign (RESID 3 AND NAME HN) (RESID 2 AND NAME HB1) 3.40 1.60 1.60  !     TG12RNOESY.67
assign (RESID 3 AND NAME HN) (RESID 2 AND NAME HA) 2.40 0.60 0.60  !     TG12RNOESY.4
assign (RESID 3 AND NAME HN) (RESID 4 AND NAME HN) 3.40 1.60 1.60  !     TG12RNOESY.147
assign (RESID 4 AND NAME HN) (RESID 3 AND NAME HA) 2.75 0.95 0.95  !     TG12RNOESY.6
assign (RESID 4 AND NAME HN) (RESID 3 AND NAME HB1) 3.40 1.60 1.60  !     TG12RNOESY.62
assign (RESID 4 AND NAME HN) (RESID 3 AND NAME HB2) 3.40 1.60 1.60  !     TG12RNOESY.64
assign (RESID 3 AND NAME HD1) (RESID 4 AND NAME HA2) 3.40 1.60 1.60  !     TG12RNOESY.61
assign (RESID 3 AND NAME HE3) (RESID 4 AND NAME HA2) 3.40 1.60 1.60  !     TG12RNOESY.57
assign (RESID 3 AND NAME HE3) (RESID 4 AND NAME HA2) 3.40 1.60 1.60  !     TG12RNOESY.58
assign (RESID 5 AND NAME HN) (RESID 4 AND NAME HA2) 2.75 0.95 0.95  !     TG12RNOESY.54
assign (RESID 5 AND NAME HN) (RESID 4 AND NAME HA2) 2.75 0.95 0.95  !     TG12RNOESY.53
assign (RESID 5 AND NAME HN) (RESID 4 AND NAME HN) 3.40 1.60 1.60  !     TG12RNOESY.142
assign (RESID 5 AND NAME HN) (RESID 6 AND NAME HN) 2.75 0.95 0.95  !     TG12RNOESY.140
assign (RESID 6 AND NAME HN) (RESID 5 AND NAME HG1) 3.40 1.60 1.60  !     TG12RNOESY.113
assign (RESID 6 AND NAME HB2) (RESID 7 AND NAME HA) 2.75 0.95 0.95  !     TG12RNOESY.220
assign (RESID 7 AND NAME HN) (RESID 6 AND NAME HD1#) 3.40 1.60 1.60  !     TG12RNOESY.134
assign (RESID 7 AND NAME HN) (RESID 6 AND NAME HB1) 3.40 1.60 1.60  !     TG12RNOESY.98
assign (RESID 7 AND NAME HN) (RESID 6 AND NAME HB2) 2.75 0.95 0.95  !     TG12RNOESY.100
assign (RESID 7 AND NAME HE2#) (RESID 6 AND NAME HD1#) 3.40 1.60 1.60  !     TG12RNOESY.132
assign (RESID 7 AND NAME HN) (RESID 6 AND NAME HA) 2.40 0.60 0.60  !     TG12RNOESY.15
assign (RESID 7 AND NAME HN) (RESID 6 AND NAME HD2#) 3.40 1.60 1.60  !     TG12RNOESY.119
assign (RESID 8 AND NAME HN) (RESID 7 AND NAME HB2) 3.40 1.60 1.60  !     TG12RNOESY.307
assign (RESID 8 AND NAME HN) (RESID 7 AND NAME HN) 3.40 1.60 1.60  !     TG12RNOESY.139
assign (RESID 8 AND NAME HN) (RESID 7 AND NAME HA) 2.75 0.95 0.95  !     TG12RNOESY.30
assign (RESID 9 AND NAME HN) (RESID 8 AND NAME HG1) 2.75 0.95 0.95  !     TG12RNOESY.115
assign (RESID 8 AND NAME HN) (RESID 9 AND NAME HN) 3.40 1.60 1.60  !     TG12RNOESY.148
!assign (RESID 9 AND NAME HB) (RESID 8 AND NAME HA) 2.75 0.95 1.15  !     TG12RNOESY.193
assign (RESID 9 AND NAME HN) (RESID 8 AND NAME HA) 2.40 0.60 0.60  !     TG12RNOESY.27
assign (RESID 10 AND NAME HN) (RESID 9 AND NAME HA) 2.40 0.60 0.80  !     TG12RNOESY.42
assign (RESID 10 AND NAME HN) (RESID 9 AND NAME HB) 2.75 0.95 0.95  !     TG12RNOESY.86
assign (RESID 9 AND NAME HN) (RESID 10 AND NAME HN) 2.75 0.95 0.95  !     TG12RNOESY.137
assign (RESID 10 AND NAME HB1) (RESID 9 AND NAME HA) 3.40 1.60 1.60  !     TG12RNOESY.247
assign (RESID 10 AND NAME HN) (RESID 11 AND NAME HA2) 3.40 1.60 1.60  !     TG12RNOESY.44
assign (RESID 10 AND NAME HB1) (RESID 11 AND NAME HA2) 3.40 1.60 1.60  !     TG12RNOESY.249
assign (RESID 11 AND NAME HN) (RESID 10 AND NAME HA) 2.40 0.60 0.60  !     TG12RNOESY.25
assign (RESID 11 AND NAME HN) (RESID 10 AND NAME HB2) 3.40 1.60 1.60  !     TG12RNOESY.108
assign (RESID 11 AND NAME HN) (RESID 10 AND NAME HD2#) 3.40 1.60 1.60  !     TG12RNOESY.123
assign (RESID 12 AND NAME HN) (RESID 11 AND NAME HA2) 2.40 0.60 0.60  !     TG12RNOESY.52
assign (RESID 11 AND NAME HN) (RESID 12 AND NAME HA) 3.40 1.60 1.60  !     TG12RNOESY.22
assign (RESID 12 AND NAME HN) (RESID 11 AND NAME HN) 3.40 1.60 1.60  !     TG12RNOESY.143
assign (RESID 13 AND NAME HN) (RESID 12 AND NAME HA) 2.40 0.60 0.60  !     TG12RNOESY.23
assign (RESID 12 AND NAME HN) (RESID 13 AND NAME HN) 3.40 1.60 1.60  !     TG12RNOESY.144
assign (RESID 13 AND NAME HN) (RESID 12 AND NAME HB2) 3.40 1.60 1.60  !     TG12RNOESY.107
assign (RESID 13 AND NAME HN) (RESID 12 AND NAME HB1) 3.40 1.60 1.60  !     TG12RNOESY.102
assign (RESID 14 AND NAME HN) (RESID 13 AND NAME HA) 2.75 0.95 0.95  !     TG12RNOESY.41
assign (RESID 15 AND NAME HN) (RESID 14 AND NAME HA) 3.40 1.60 1.60  !     TG12RNOESY.3
assign (RESID 19 AND NAME HN) (RESID 18 AND NAME HA) 3.40 1.60 1.60  !     TG12RNOESY.9
assign (RESID 20 AND NAME HN) (RESID 19 AND NAME HA) 2.40 0.60 0.60  !     TG12RNOESY.21
assign (RESID 21 AND NAME HN) (RESID 20 AND NAME HA) 2.75 0.95 0.95  !     TG12RNOESY.17
assign (RESID 22 AND NAME HN) (RESID 21 AND NAME HA2) 2.75 0.95 0.95  !     TG12RNOESY.56
assign (RESID 2 AND NAME HN) (RESID 5 AND NAME HA) 3.40 1.60 1.60  !     TG12RNOESY.16
assign (RESID 6 AND NAME HD2#) (RESID 3 AND NAME HB#) 3.40 1.60 2.10 !     TG12RNOESY.267
assign (RESID 6 AND NAME HD1#) (RESID 3 AND NAME HA) 3.40 1.60 1.60  !     TG12RNOESY.273
assign (RESID 6 AND NAME HB1) (RESID 3 AND NAME HA) 3.40 1.60 1.60  !     TG12RNOESY.242
assign (RESID 3 AND NAME HE3) (RESID 6 AND NAME HB2) 3.40 1.60 1.60  !     TG12RNOESY.301
assign (RESID 3 AND NAME HD1) (RESID 5 AND NAME HA) 3.40 1.60 1.60  !     TG12RNOESY.39
assign (RESID 3 AND NAME HE3) (RESID 6 AND NAME HD1#) 3.40 1.60 1.60  !     TG12RNOESY.129
assign (RESID 3 AND NAME HE3) (RESID 6 AND NAME HD2#) 3.40 1.60 1.60  !     TG12RNOESY.128
assign (RESID 6 AND NAME HB2) (RESID 3 AND NAME HA) 3.40 1.60 1.60  !     TG12RNOESY.243
!assign (RESID 9 AND NAME HD1#) (RESID 7 AND NAME HA) 3.40 1.60 2.10
assign (RESID 10 AND NAME HN) (RESID 7 AND NAME HA) 3.40 1.60 1.60  !     TG12RNOESY.18
assign (RESID 7 AND NAME HA) (RESID 9 AND NAME HG2#) 3.40 1.60 1.60  ! 
assign (RESID 7 AND NAME HE2#) (RESID 9 AND NAME HG2#) 3.40 1.60 1.60  !     TG12RNOESY.131
assign (RESID 10 AND NAME HD2#) (RESID 12 AND NAME HA) 3.40 1.60 1.60  !
!assign (RESID 10 AND NAME HD2#) (RESID 12 AND NAME HD2#) 3.40 1.60 2.10  !     TG12RNOESY.311
assign (RESID 12 AND NAME HN) (RESID 10 AND NAME HB1) 3.40 1.60 1.60  !     TG12RNOESY.136
assign (RESID 13 AND NAME HN) (RESID 10 AND NAME HA) 3.40 1.60 1.60  !     TG12RNOESY.26
assign (RESID 13 AND NAME HG2#) (RESID 10 AND NAME HA) 3.40 1.60 1.60  !     TG12RNOESY.278
assign (RESID 19 AND NAME HB2) (RESID 17 AND NAME HA) 2.75 0.95 0.95  !     TG12RNOESY.152
assign (RESID 22 AND NAME HN) (RESID 20 AND NAME HA) 2.75 0.95 0.95  !     TG12RNOESY.33
!assign (RESID 1 AND NAME H1) (RESID 7 AND NAME HB1) 2.75 0.95 0.95  !     TG12RNOESY.83
assign (RESID 3 AND NAME HD1) (RESID 9 AND NAME HG1#) 3.40 1.60 1.60  !     TG12RNOESY.117
assign (RESID 9 AND NAME HG2#) (RESID 3 AND NAME HB2) 3.40 1.60 1.60  !     TG12RNOESY.266
assign (RESID 9 AND NAME HG2#) (RESID 3 AND NAME HA) 3.40 1.60 1.60  !     TG12RNOESY.272
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ACE   0           HA1      ACE   0   5.921  -0.773  -9.085
    2    H2   ACE   0           HA2      ACE   0   5.993   0.981  -9.234
    3    H3   ACE   0           HA3      ACE   0   5.391   0.276  -7.736
    4    H    MET   1           HN       MET   1   7.496   2.133  -7.864
    5    HA   MET   1           HA       MET   1   9.956   0.623  -7.535
    6    HB2  MET   1           HB2      MET   1  10.025   2.796  -8.672
    7    HB3  MET   1           HB1      MET   1   9.398   3.580  -7.228
    8    HG2  MET   1           HG2      MET   1  11.410   2.914  -6.002
    9    HG3  MET   1           HG1      MET   1  12.040   2.156  -7.464
   10    HE1  MET   1           HE1      MET   1  12.528   5.245  -9.826
   11    HE2  MET   1           HE2      MET   1  11.084   4.239  -9.704
   12    HE3  MET   1           HE3      MET   1  12.683   3.495  -9.662
   13    H    ASP   2           HN       ASP   2  11.053   0.325  -5.626
   14    HA   ASP   2           HA       ASP   2   9.969   1.414  -3.156
   15    HB2  ASP   2           HB2      ASP   2  10.168  -1.563  -3.657
   16    HB3  ASP   2           HB1      ASP   2   9.845  -0.825  -2.091
   17    H    TRP   3           HN       TRP   3  11.558   1.887  -1.755
   18    HA   TRP   3           HA       TRP   3  13.637   2.075  -0.837
   19    HB2  TRP   3           HB2      TRP   3  13.407  -0.309  -0.350
   20    HB3  TRP   3           HB1      TRP   3  13.971  -0.704  -1.967
   21    HD1  TRP   3           HD1      TRP   3  16.424  -1.490  -1.957
   22    HE1  TRP   3           HE1      TRP   3  18.519  -0.984  -0.545
   23    HE3  TRP   3           HE3      TRP   3  14.418   1.911   1.182
   24    HZ2  TRP   3           HZ2      TRP   3  19.215   0.677   1.646
   25    HZ3  TRP   3           HZ3      TRP   3  15.830   2.943   2.931
   26    HH2  TRP   3           HH2      TRP   3  18.188   2.331   3.151
   27    H    GLY   4           HN       GLY   4  15.991   2.171  -1.382
   28    HA2  GLY   4           HA1      GLY   4  16.458   3.537  -3.756
   29    HA3  GLY   4           HA2      GLY   4  17.697   2.792  -2.751
   30    H    THR   5           HN       THR   5  16.092   0.210  -3.197
   31    HA   THR   5           HA       THR   5  16.047  -0.592  -5.838
   32    HB   THR   5           HB       THR   5  18.390  -0.214  -6.086
   33    HG1  THR   5           HG1      THR   5  17.387  -2.448  -6.579
   34   HG21  THR   5          HG21      THR   5  18.984  -0.088  -3.708
   35   HG22  THR   5          HG22      THR   5  20.076  -1.156  -4.589
   36   HG23  THR   5          HG23      THR   5  18.806  -1.837  -3.572
   37    H    LEU   6           HN       LEU   6  14.259  -1.378  -4.410
   38    HA   LEU   6           HA       LEU   6  14.735  -4.153  -3.661
   39    HB2  LEU   6           HB1      LEU   6  15.031  -2.477  -1.676
   40    HB3  LEU   6           HB2      LEU   6  13.284  -2.391  -1.721
   41    HG   LEU   6           HG       LEU   6  13.963  -5.136  -1.654
   42   HD11  LEU   6          HD21      LEU   6  15.496  -3.462   0.336
   43   HD12  LEU   6          HD22      LEU   6  16.179  -4.539  -0.885
   44   HD13  LEU   6          HD23      LEU   6  15.251  -5.206   0.459
   45   HD21  LEU   6          HD11      LEU   6  12.890  -3.213   0.408
   46   HD22  LEU   6          HD12      LEU   6  12.872  -4.970   0.577
   47   HD23  LEU   6          HD13      LEU   6  11.954  -4.198  -0.716
   48    H    GLN   7           HN       GLN   7  12.308  -4.644  -2.426
   49    HA   GLN   7           HA       GLN   7  10.243  -3.533  -4.118
   50    HB2  GLN   7           HB2      GLN   7  10.533  -5.352  -5.483
   51    HB3  GLN   7           HB1      GLN   7  11.222  -6.336  -4.201
   52    HG2  GLN   7           HG1      GLN   7   9.171  -7.327  -4.801
   53    HG3  GLN   7           HG2      GLN   7   8.928  -6.534  -3.244
   54   HE21  GLN   7          HE21      GLN   7   7.549  -4.798  -3.098
   55   HE22  GLN   7          HE22      GLN   7   6.501  -4.315  -4.383
   56    H    THR   8           HN       THR   8  10.715  -6.143  -1.704
   57    HA   THR   8           HA       THR   8   8.196  -5.769  -0.512
   58    HB   THR   8           HB       THR   8   9.254  -7.840  -0.046
   59    HG1  THR   8           HG1      THR   8   8.234  -6.548   1.805
   60   HG21  THR   8          HG21      THR   8  11.572  -7.142  -0.417
   61   HG22  THR   8          HG22      THR   8  11.412  -8.038   1.093
   62   HG23  THR   8          HG23      THR   8  11.563  -6.282   1.123
   63    H    ILE   9           HN       ILE   9   7.825  -3.663  -0.188
   64    HA   ILE   9           HA       ILE   9   8.926  -2.504   2.207
   65    HB   ILE   9           HB       ILE   9   9.647  -1.675  -0.506
   66   HG12  ILE   9          HG12      ILE   9  11.262  -2.520   1.134
   67   HG13  ILE   9          HG11      ILE   9  11.672  -0.894   0.598
   68   HG21  ILE   9          HG21      ILE   9   9.867   0.726   0.121
   69   HG22  ILE   9          HG22      ILE   9   8.892   0.394   1.553
   70   HG23  ILE   9          HG23      ILE   9   8.201   0.175  -0.055
   71   HD11  ILE   9          HD11      ILE   9  10.338  -1.613   3.199
   72   HD12  ILE   9          HD12      ILE   9  10.745   0.018   2.664
   73   HD13  ILE   9          HD13      ILE   9  12.026  -1.152   2.984
   74    H    LEU  10           HN       LEU  10   6.891  -2.130  -0.614
   75    HA   LEU  10           HA       LEU  10   4.641  -1.340   0.996
   76    HB2  LEU  10           HB2      LEU  10   5.445   0.823   0.877
   77    HB3  LEU  10           HB1      LEU  10   6.128   0.591  -0.720
   78    HG   LEU  10           HG       LEU  10   3.267   0.318  -0.838
   79   HD11  LEU  10          HD11      LEU  10   3.325   1.720   1.180
   80   HD12  LEU  10          HD12      LEU  10   2.614   2.552  -0.204
   81   HD13  LEU  10          HD13      LEU  10   4.264   2.923   0.296
   82   HD21  LEU  10          HD21      LEU  10   3.492   1.912  -2.589
   83   HD22  LEU  10          HD22      LEU  10   4.897   0.844  -2.661
   84   HD23  LEU  10          HD23      LEU  10   5.050   2.460  -1.969
   85    H    GLY  11           HN       GLY  11   2.808  -2.063   0.086
   86    HA2  GLY  11           HA2      GLY  11   2.726  -2.453  -2.822
   87    HA3  GLY  11           HA1      GLY  11   2.410  -3.833  -1.782
   88    H    ARG  12           HN       ARG  12   1.398  -0.700  -0.745
   89    HA   ARG  12           HA       ARG  12  -0.651   0.197  -0.336
   90    HB2  ARG  12           HB2      ARG  12  -0.563   0.174  -2.894
   91    HB3  ARG  12           HB1      ARG  12  -1.603  -1.240  -2.809
   92    HG2  ARG  12           HG1      ARG  12  -2.940   0.712  -3.207
   93    HG3  ARG  12           HG2      ARG  12  -3.275   0.101  -1.586
   94    HD2  ARG  12           HD2      ARG  12  -3.080   2.536  -1.597
   95    HD3  ARG  12           HD1      ARG  12  -1.808   1.793  -0.629
   96    HE   ARG  12           HE       ARG  12  -0.888   2.204  -3.262
   97   HH11  ARG  12          HH11      ARG  12  -0.588   5.259  -0.690
   98   HH12  ARG  12          HH12      ARG  12  -1.688   3.962  -0.361
   99   HH21  ARG  12          HH21      ARG  12   0.691   5.228  -2.589
  100   HH22  ARG  12          HH22      ARG  12   0.563   3.907  -3.702
  101    H    VAL  13           HN       VAL  13   0.021  -2.626   0.518
  102    HA   VAL  13           HA       VAL  13  -2.523  -3.982   0.608
  103    HB   VAL  13           HB       VAL  13  -1.371  -5.634   2.022
  104   HG11  VAL  13          HG11      VAL  13   0.251  -6.404   0.352
  105   HG12  VAL  13          HG12      VAL  13   0.190  -4.825  -0.429
  106   HG13  VAL  13          HG13      VAL  13  -1.245  -5.849  -0.399
  107   HG21  VAL  13          HG21      VAL  13   0.095  -4.142   3.257
  108   HG22  VAL  13          HG22      VAL  13   0.994  -3.777   1.785
  109   HG23  VAL  13          HG23      VAL  13   1.035  -5.404   2.462
  110    H    ASN  14           HN       ASN  14  -3.371  -4.753   2.757
  111    HA   ASN  14           HA       ASN  14  -4.391  -4.282   4.731
  112    HB2  ASN  14           HB2      ASN  14  -2.119  -4.445   5.621
  113    HB3  ASN  14           HB1      ASN  14  -1.836  -2.748   5.247
  114   HD21  ASN  14          HD21      ASN  14  -1.403  -2.224   7.371
  115   HD22  ASN  14          HD22      ASN  14  -2.635  -2.155   8.580
  116    H    LYS  15           HN       LYS  15  -6.140  -3.093   4.118
  117    HA   LYS  15           HA       LYS  15  -6.112  -0.302   4.802
  118    HB2  LYS  15           HB1      LYS  15  -7.165   0.291   2.514
  119    HB3  LYS  15           HB2      LYS  15  -5.417   0.147   2.629
  120    HG2  LYS  15           HG2      LYS  15  -6.022  -0.944   0.642
  121    HG3  LYS  15           HG1      LYS  15  -5.686  -2.227   1.806
  122    HD2  LYS  15           HD2      LYS  15  -8.074  -2.498   2.216
  123    HD3  LYS  15           HD1      LYS  15  -8.426  -1.189   1.087
  124    HE2  LYS  15           HE2      LYS  15  -7.099  -3.814   0.419
  125    HE3  LYS  15           HE1      LYS  15  -8.759  -3.360   0.034
  126    HZ1  LYS  15           HZ1      LYS  15  -7.908  -1.578  -1.361
  127    HZ2  LYS  15           HZ2      LYS  15  -7.310  -3.075  -1.871
  128    HZ3  LYS  15           HZ3      LYS  15  -6.317  -2.022  -0.997
  129    H    HIS  16           HN       HIS  16  -8.313   0.674   4.595
  130    HA   HIS  16           HA       HIS  16 -10.477  -1.295   4.557
  131    HB2  HIS  16           HB2      HIS  16  -9.965   0.628   6.837
  132    HB3  HIS  16           HB1      HIS  16 -11.421  -0.345   6.651
  133    HD1  HIS  16           HD1      HIS  16  -7.978  -0.466   7.924
  134    HD2  HIS  16           HD2      HIS  16 -10.976  -3.177   6.958
  135    HE1  HIS  16           HE1      HIS  16  -7.294  -2.635   8.997
  136    HE2  HIS  16           HE2      HIS  16  -9.123  -4.262   8.400
  137    H    SER  17           HN       SER  17 -12.154  -0.581   3.419
  138    HA   SER  17           HA       SER  17 -12.666   2.303   3.271
  139    HB2  SER  17           HB1      SER  17 -11.370   1.724   1.265
  140    HB3  SER  17           HB2      SER  17 -12.535   0.461   0.869
  141    HG   SER  17           HG       SER  17 -14.052   1.988   0.434
  142    H    THR  18           HN       THR  18 -13.825  -0.529   4.189
  143    HA   THR  18           HA       THR  18 -16.316  -0.854   2.968
  144    HB   THR  18           HB       THR  18 -15.665  -1.404   5.871
  145    HG1  THR  18           HG1      THR  18 -14.433  -2.385   3.843
  146   HG21  THR  18          HG21      THR  18 -17.388  -3.144   5.665
  147   HG22  THR  18          HG22      THR  18 -17.714  -2.620   4.013
  148   HG23  THR  18          HG23      THR  18 -18.051  -1.537   5.363
  149    H    SER  19           HN       SER  19 -15.180   1.544   5.143
  150    HA   SER  19           HA       SER  19 -17.527   2.352   6.412
  151    HB2  SER  19           HB2      SER  19 -15.135   3.984   5.530
  152    HB3  SER  19           HB1      SER  19 -16.396   4.576   6.614
  153    HG   SER  19           HG       SER  19 -15.844   2.758   7.989
  154    H    ILE  20           HN       ILE  20 -19.306   3.388   5.759
  155    HA   ILE  20           HA       ILE  20 -19.513   4.145   2.952
  156    HB   ILE  20           HB       ILE  20 -21.930   4.376   3.405
  157   HG12  ILE  20          HG12      ILE  20 -21.225   3.388   6.179
  158   HG13  ILE  20          HG11      ILE  20 -21.711   5.036   5.793
  159   HG21  ILE  20          HG21      ILE  20 -20.730   1.767   4.325
  160   HG22  ILE  20          HG22      ILE  20 -21.017   2.246   2.653
  161   HG23  ILE  20          HG23      ILE  20 -22.379   1.995   3.744
  162   HD11  ILE  20          HD11      ILE  20 -23.396   2.568   5.450
  163   HD12  ILE  20          HD12      ILE  20 -23.884   4.213   5.040
  164   HD13  ILE  20          HD13      ILE  20 -23.559   3.781   6.719
  165    H    GLY  21           HN       GLY  21 -20.470   6.171   2.305
  166    HA2  GLY  21           HA2      GLY  21 -21.161   8.337   3.787
  167    HA3  GLY  21           HA1      GLY  21 -19.405   8.380   3.822
  168    H    LYS  22           HN       LYS  22 -19.385   7.139   1.067
  169    HA   LYS  22           HA       LYS  22 -19.683   9.662  -0.376
  170    HB2  LYS  22           HB1      LYS  22 -17.528   8.484  -0.526
  171    HB3  LYS  22           HB2      LYS  22 -18.342   7.081  -1.204
  172    HG2  LYS  22           HG1      LYS  22 -18.999   8.390  -3.152
  173    HG3  LYS  22           HG2      LYS  22 -18.201   9.809  -2.471
  174    HD2  LYS  22           HD2      LYS  22 -16.057   8.628  -2.527
  175    HD3  LYS  22           HD1      LYS  22 -16.856   7.213  -3.215
  176    HE2  LYS  22           HE1      LYS  22 -16.707   9.946  -4.480
  177    HE3  LYS  22           HE2      LYS  22 -15.740   8.545  -4.937
  178    HZ1  LYS  22           HZ1      LYS  22 -18.698   8.734  -5.115
  179    HZ2  LYS  22           HZ2      LYS  22 -17.770   7.390  -5.555
  180    HZ3  LYS  22           HZ3      LYS  22 -17.622   8.837  -6.417
  Start of MODEL    2
    1    H1   ACE   0           HA1      ACE   0   6.113  -0.610  -8.993
    2    H2   ACE   0           HA2      ACE   0   6.798  -2.125  -9.575
    3    H3   ACE   0           HA3      ACE   0   6.802  -0.723 -10.641
    4    H    MET   1           HN       MET   1   7.358   0.428  -7.632
    5    HA   MET   1           HA       MET   1  10.215  -0.119  -7.572
    6    HB2  MET   1           HB2      MET   1  10.022   1.792  -9.097
    7    HB3  MET   1           HB1      MET   1   9.116   2.681  -7.880
    8    HG2  MET   1           HG2      MET   1  11.063   2.659  -6.409
    9    HG3  MET   1           HG1      MET   1  11.972   1.766  -7.627
   10    HE1  MET   1           HE1      MET   1  12.219   4.374 -10.536
   11    HE2  MET   1           HE2      MET   1  10.985   3.132 -10.321
   12    HE3  MET   1           HE3      MET   1  12.677   2.764  -9.981
   13    H    ASP   2           HN       ASP   2  11.004  -0.144  -5.549
   14    HA   ASP   2           HA       ASP   2   9.667   1.315  -3.419
   15    HB2  ASP   2           HB2      ASP   2   9.940  -1.697  -3.378
   16    HB3  ASP   2           HB1      ASP   2   9.471  -0.713  -1.995
   17    H    TRP   3           HN       TRP   3  11.070   1.963  -1.864
   18    HA   TRP   3           HA       TRP   3  13.047   2.336  -0.787
   19    HB2  TRP   3           HB2      TRP   3  12.862  -0.011  -0.104
   20    HB3  TRP   3           HB1      TRP   3  13.608  -0.514  -1.614
   21    HD1  TRP   3           HD1      TRP   3  16.062  -1.201  -1.248
   22    HE1  TRP   3           HE1      TRP   3  17.981  -0.443   0.296
   23    HE3  TRP   3           HE3      TRP   3  13.623   2.428   1.250
   24    HZ2  TRP   3           HZ2      TRP   3  18.384   1.486   2.339
   25    HZ3  TRP   3           HZ3      TRP   3  14.803   3.719   3.001
   26    HH2  TRP   3           HH2      TRP   3  17.145   3.248   3.530
   27    H    GLY   4           HN       GLY   4  15.423   2.549  -1.142
   28    HA2  GLY   4           HA1      GLY   4  16.062   3.733  -3.544
   29    HA3  GLY   4           HA2      GLY   4  17.239   3.039  -2.433
   30    H    THR   5           HN       THR   5  16.104   0.388  -2.641
   31    HA   THR   5           HA       THR   5  16.072  -0.576  -5.301
   32    HB   THR   5           HB       THR   5  18.632  -1.119  -3.766
   33    HG1  THR   5           HG1      THR   5  18.339   0.217  -6.261
   34   HG21  THR   5          HG21      THR   5  17.880  -3.055  -5.047
   35   HG22  THR   5          HG22      THR   5  19.315  -2.342  -5.784
   36   HG23  THR   5          HG23      THR   5  17.725  -2.055  -6.491
   37    H    LEU   6           HN       LEU   6  14.195  -1.439  -4.204
   38    HA   LEU   6           HA       LEU   6  14.630  -4.071  -3.113
   39    HB2  LEU   6           HB1      LEU   6  14.843  -2.279  -1.242
   40    HB3  LEU   6           HB2      LEU   6  13.105  -2.140  -1.400
   41    HG   LEU   6           HG       LEU   6  13.795  -4.900  -1.062
   42   HD11  LEU   6          HD21      LEU   6  14.951  -2.983   0.964
   43   HD12  LEU   6          HD22      LEU   6  15.847  -4.138  -0.027
   44   HD13  LEU   6          HD23      LEU   6  14.743  -4.717   1.221
   45   HD21  LEU   6          HD11      LEU   6  12.372  -4.582   0.956
   46   HD22  LEU   6          HD12      LEU   6  11.638  -3.974  -0.528
   47   HD23  LEU   6          HD13      LEU   6  12.362  -2.849   0.624
   48    H    GLN   7           HN       GLN   7  12.211  -4.646  -2.085
   49    HA   GLN   7           HA       GLN   7  10.166  -3.532  -3.800
   50    HB2  GLN   7           HB2      GLN   7  11.061  -6.393  -3.907
   51    HB3  GLN   7           HB1      GLN   7   9.392  -5.975  -4.269
   52    HG2  GLN   7           HG2      GLN   7  11.681  -4.632  -5.658
   53    HG3  GLN   7           HG1      GLN   7  11.040  -6.177  -6.210
   54   HE21  GLN   7          HE21      GLN   7   8.181  -3.282  -6.227
   55   HE22  GLN   7          HE22      GLN   7   9.027  -3.694  -4.780
   56    H    THR   8           HN       THR   8  10.800  -6.066  -1.355
   57    HA   THR   8           HA       THR   8   8.168  -6.044  -0.343
   58    HB   THR   8           HB       THR   8   9.464  -7.935   0.259
   59    HG1  THR   8           HG1      THR   8   8.218  -6.624   2.032
   60   HG21  THR   8          HG21      THR   8  11.463  -6.060   1.530
   61   HG22  THR   8          HG22      THR   8  11.685  -6.910   0.001
   62   HG23  THR   8          HG23      THR   8  11.557  -7.821   1.505
   63    H    ILE   9           HN       ILE   9   7.502  -3.999  -0.136
   64    HA   ILE   9           HA       ILE   9   8.331  -2.600   2.255
   65    HB   ILE   9           HB       ILE   9   8.930  -1.776  -0.496
   66   HG12  ILE   9          HG12      ILE   9  10.653  -2.324   1.171
   67   HG13  ILE   9          HG11      ILE   9  10.826  -0.682   0.562
   68   HG21  ILE   9          HG21      ILE   9   8.813   0.653   0.068
   69   HG22  ILE   9          HG22      ILE   9   7.874   0.221   1.497
   70   HG23  ILE   9          HG23      ILE   9   7.247  -0.133  -0.114
   71   HD11  ILE   9          HD11      ILE   9   9.606  -1.464   3.201
   72   HD12  ILE   9          HD12      ILE   9   9.788   0.181   2.594
   73   HD13  ILE   9          HD13      ILE   9  11.216  -0.788   2.956
   74    H    LEU  10           HN       LEU  10   6.451  -2.095  -0.687
   75    HA   LEU  10           HA       LEU  10   3.989  -1.955   0.837
   76    HB2  LEU  10           HB1      LEU  10   5.266   0.365  -0.494
   77    HB3  LEU  10           HB2      LEU  10   3.543   0.187  -0.740
   78    HG   LEU  10           HG       LEU  10   3.540   1.566   1.082
   79   HD11  LEU  10          HD21      LEU  10   3.096   0.309   3.125
   80   HD12  LEU  10          HD22      LEU  10   3.806  -1.131   2.394
   81   HD13  LEU  10          HD23      LEU  10   2.326  -0.444   1.727
   82   HD21  LEU  10          HD11      LEU  10   5.197   1.542   2.875
   83   HD22  LEU  10          HD12      LEU  10   5.950   1.729   1.291
   84   HD23  LEU  10          HD13      LEU  10   5.999   0.170   2.112
   85    H    GLY  11           HN       GLY  11   2.089  -2.175  -0.452
   86    HA2  GLY  11           HA2      GLY  11   2.428  -2.673  -3.297
   87    HA3  GLY  11           HA1      GLY  11   1.984  -4.070  -2.328
   88    H    ARG  12           HN       ARG  12   0.816  -1.005  -1.311
   89    HA   ARG  12           HA       ARG  12  -1.274  -0.123  -1.156
   90    HB2  ARG  12           HB1      ARG  12  -1.599  -1.408  -3.874
   91    HB3  ARG  12           HB2      ARG  12  -2.674  -0.196  -3.191
   92    HG2  ARG  12           HG2      ARG  12  -0.878   1.432  -3.183
   93    HG3  ARG  12           HG1      ARG  12   0.247   0.218  -3.794
   94    HD2  ARG  12           HD2      ARG  12  -2.212   1.225  -5.221
   95    HD3  ARG  12           HD1      ARG  12  -0.549   1.687  -5.581
   96    HE   ARG  12           HE       ARG  12  -0.917  -1.135  -5.709
   97   HH11  ARG  12          HH11      ARG  12  -1.414   1.833  -7.467
   98   HH12  ARG  12          HH12      ARG  12  -1.371   1.069  -9.021
   99   HH21  ARG  12          HH21      ARG  12  -1.055  -1.193  -9.182
  100   HH22  ARG  12          HH22      ARG  12  -0.858  -2.148  -7.752
  101    H    VAL  13           HN       VAL  13  -0.727  -2.989  -0.349
  102    HA   VAL  13           HA       VAL  13  -3.498  -3.984  -0.393
  103    HB   VAL  13           HB       VAL  13  -2.530  -6.192   0.222
  104   HG11  VAL  13          HG11      VAL  13  -1.634  -6.700  -2.004
  105   HG12  VAL  13          HG12      VAL  13  -1.477  -4.974  -2.329
  106   HG13  VAL  13          HG13      VAL  13  -3.074  -5.686  -2.095
  107   HG21  VAL  13          HG21      VAL  13  -0.122  -6.550  -0.060
  108   HG22  VAL  13          HG22      VAL  13  -0.464  -5.420   1.251
  109   HG23  VAL  13          HG23      VAL  13   0.103  -4.818  -0.306
  110    H    ASN  14           HN       ASN  14  -1.231  -2.486   1.559
  111    HA   ASN  14           HA       ASN  14  -2.315  -3.638   4.030
  112    HB2  ASN  14           HB2      ASN  14   0.062  -1.818   3.596
  113    HB3  ASN  14           HB1      ASN  14  -0.453  -2.458   5.154
  114   HD21  ASN  14          HD21      ASN  14   1.001  -3.193   2.088
  115   HD22  ASN  14          HD22      ASN  14   1.619  -4.745   2.524
  116    H    LYS  15           HN       LYS  15  -3.581  -2.506   5.390
  117    HA   LYS  15           HA       LYS  15  -3.728   0.364   5.320
  118    HB2  LYS  15           HB1      LYS  15  -5.159  -0.302   3.392
  119    HB3  LYS  15           HB2      LYS  15  -6.173  -1.215   4.502
  120    HG2  LYS  15           HG1      LYS  15  -6.770   0.822   5.674
  121    HG3  LYS  15           HG2      LYS  15  -5.704   1.758   4.623
  122    HD2  LYS  15           HD2      LYS  15  -7.057   1.077   2.682
  123    HD3  LYS  15           HD1      LYS  15  -8.144   0.205   3.765
  124    HE2  LYS  15           HE2      LYS  15  -8.693   2.291   4.905
  125    HE3  LYS  15           HE1      LYS  15  -7.590   3.168   3.846
  126    HZ1  LYS  15           HZ1      LYS  15  -8.963   2.546   1.958
  127    HZ2  LYS  15           HZ2      LYS  15  -9.880   3.379   3.110
  128    HZ3  LYS  15           HZ3      LYS  15 -10.019   1.698   2.973
  129    H    HIS  16           HN       HIS  16  -5.499  -2.560   6.319
  130    HA   HIS  16           HA       HIS  16  -5.479  -1.536   9.069
  131    HB2  HIS  16           HB2      HIS  16  -7.882  -2.644   7.606
  132    HB3  HIS  16           HB1      HIS  16  -7.814  -2.427   9.353
  133    HD1  HIS  16           HD1      HIS  16  -8.846  -0.738   6.364
  134    HD2  HIS  16           HD2      HIS  16  -7.278   0.437  10.030
  135    HE1  HIS  16           HE1      HIS  16  -9.398   1.706   6.579
  136    HE2  HIS  16           HE2      HIS  16  -8.439   2.398   8.804
  137    H    SER  17           HN       SER  17  -5.743  -3.184  10.700
  138    HA   SER  17           HA       SER  17  -5.187  -5.162  11.673
  139    HB2  SER  17           HB1      SER  17  -6.223  -6.305   9.066
  140    HB3  SER  17           HB2      SER  17  -5.940  -7.226  10.544
  141    HG   SER  17           HG       SER  17  -7.594  -4.965  10.644
  142    H    THR  18           HN       THR  18  -3.323  -3.756   9.672
  143    HA   THR  18           HA       THR  18  -1.686  -5.628   8.404
  144    HB   THR  18           HB       THR  18  -0.795  -3.016   9.646
  145    HG1  THR  18           HG1      THR  18  -2.134  -3.639   7.238
  146   HG21  THR  18          HG21      THR  18   1.066  -4.447   8.970
  147   HG22  THR  18          HG22      THR  18   0.928  -3.056   7.894
  148   HG23  THR  18          HG23      THR  18   0.351  -4.638   7.369
  149    H    SER  19           HN       SER  19  -2.036  -4.829  11.732
  150    HA   SER  19           HA       SER  19   0.457  -5.620  12.742
  151    HB2  SER  19           HB1      SER  19  -1.101  -4.402  14.132
  152    HB3  SER  19           HB2      SER  19  -2.293  -5.696  14.004
  153    HG   SER  19           HG       SER  19  -1.302  -6.067  15.906
  154    H    ILE  20           HN       ILE  20   1.406  -7.543  12.841
  155    HA   ILE  20           HA       ILE  20   0.032  -9.909  11.977
  156    HB   ILE  20           HB       ILE  20   2.184 -11.056  12.393
  157   HG12  ILE  20          HG12      ILE  20   3.164  -8.317  13.236
  158   HG13  ILE  20          HG11      ILE  20   2.870  -9.658  14.338
  159   HG21  ILE  20          HG21      ILE  20   3.455  -9.878  10.663
  160   HG22  ILE  20          HG22      ILE  20   2.406  -8.473  10.852
  161   HG23  ILE  20          HG23      ILE  20   1.745  -9.991  10.246
  162   HD11  ILE  20          HD11      ILE  20   4.899  -9.608  12.118
  163   HD12  ILE  20          HD12      ILE  20   4.597 -10.962  13.207
  164   HD13  ILE  20          HD13      ILE  20   5.228  -9.443  13.843
  165    H    GLY  21           HN       GLY  21  -0.580 -11.677  13.158
  166    HA2  GLY  21           HA2      GLY  21  -1.141 -11.236  15.937
  167    HA3  GLY  21           HA1      GLY  21  -1.527 -12.680  15.012
  168    H    LYS  22           HN       LYS  22   1.600 -12.281  14.367
  169    HA   LYS  22           HA       LYS  22   3.507 -13.337  15.013
  170    HB2  LYS  22           HB1      LYS  22   2.443 -12.747  17.782
  171    HB3  LYS  22           HB2      LYS  22   4.095 -13.216  17.405
  172    HG2  LYS  22           HG2      LYS  22   4.391 -11.179  16.103
  173    HG3  LYS  22           HG1      LYS  22   2.725 -10.711  16.449
  174    HD2  LYS  22           HD2      LYS  22   3.241 -10.646  18.841
  175    HD3  LYS  22           HD1      LYS  22   4.908 -11.108  18.493
  176    HE2  LYS  22           HE2      LYS  22   3.534  -8.601  17.538
  177    HE3  LYS  22           HE1      LYS  22   4.701  -8.698  18.856
  178    HZ1  LYS  22           HZ1      LYS  22   5.247  -9.361  16.013
  179    HZ2  LYS  22           HZ2      LYS  22   6.366  -9.450  17.277
  180    HZ3  LYS  22           HZ3      LYS  22   5.738  -7.951  16.809
  Start of MODEL    3
    1    H1   ACE   0           HA1      ACE   0   7.594   0.630 -10.884
    2    H2   ACE   0           HA2      ACE   0   7.050   1.665  -9.565
    3    H3   ACE   0           HA3      ACE   0   6.871  -0.080  -9.409
    4    H    MET   1           HN       MET   1   8.301   1.865  -7.716
    5    HA   MET   1           HA       MET   1  10.800   0.378  -7.558
    6    HB2  MET   1           HB1      MET   1  11.340   2.333  -8.952
    7    HB3  MET   1           HB2      MET   1  10.728   3.399  -7.695
    8    HG2  MET   1           HG2      MET   1  12.471   2.608  -6.177
    9    HG3  MET   1           HG1      MET   1  13.088   1.547  -7.442
   10    HE1  MET   1           HE1      MET   1  13.169   6.155  -7.672
   11    HE2  MET   1           HE2      MET   1  12.561   5.253  -6.284
   12    HE3  MET   1           HE3      MET   1  11.686   5.213  -7.814
   13    H    ASP   2           HN       ASP   2  11.671   0.282  -5.495
   14    HA   ASP   2           HA       ASP   2  10.383   1.808  -3.365
   15    HB2  ASP   2           HB2      ASP   2  10.493  -1.214  -3.408
   16    HB3  ASP   2           HB1      ASP   2  10.015  -0.244  -2.019
   17    H    TRP   3           HN       TRP   3  11.586   1.852  -1.395
   18    HA   TRP   3           HA       TRP   3  13.502   2.032  -0.177
   19    HB2  TRP   3           HB2      TRP   3  13.545  -0.327   0.034
   20    HB3  TRP   3           HB1      TRP   3  14.020  -0.547  -1.646
   21    HD1  TRP   3           HD1      TRP   3  16.437  -1.423  -1.734
   22    HE1  TRP   3           HE1      TRP   3  18.622  -0.952  -0.449
   23    HE3  TRP   3           HE3      TRP   3  14.662   1.961   1.556
   24    HZ2  TRP   3           HZ2      TRP   3  19.468   0.683   1.711
   25    HZ3  TRP   3           HZ3      TRP   3  16.190   2.965   3.224
   26    HH2  TRP   3           HH2      TRP   3  18.552   2.331   3.292
   27    H    GLY   4           HN       GLY   4  15.184   0.488  -2.769
   28    HA2  GLY   4           HA1      GLY   4  16.029   2.730  -4.239
   29    HA3  GLY   4           HA2      GLY   4  17.205   2.383  -2.970
   30    H    THR   5           HN       THR   5  15.381  -0.224  -4.123
   31    HA   THR   5           HA       THR   5  16.410  -1.271  -6.345
   32    HB   THR   5           HB       THR   5  18.712  -0.995  -5.552
   33    HG1  THR   5           HG1      THR   5  17.748  -3.139  -6.540
   34   HG21  THR   5          HG21      THR   5  18.289  -1.054  -3.142
   35   HG22  THR   5          HG22      THR   5  19.530  -2.224  -3.591
   36   HG23  THR   5          HG23      THR   5  17.889  -2.769  -3.249
   37    H    LEU   6           HN       LEU   6  15.512  -1.622  -3.076
   38    HA   LEU   6           HA       LEU   6  14.908  -4.409  -3.009
   39    HB2  LEU   6           HB1      LEU   6  15.260  -2.628  -1.106
   40    HB3  LEU   6           HB2      LEU   6  13.541  -2.354  -1.309
   41    HG   LEU   6           HG       LEU   6  13.959  -5.159  -1.026
   42   HD11  LEU   6          HD21      LEU   6  16.088  -4.658   0.008
   43   HD12  LEU   6          HD22      LEU   6  14.939  -5.173   1.242
   44   HD13  LEU   6          HD23      LEU   6  15.328  -3.461   1.058
   45   HD21  LEU   6          HD11      LEU   6  12.768  -3.044   0.765
   46   HD22  LEU   6          HD12      LEU   6  12.579  -4.782   0.996
   47   HD23  LEU   6          HD13      LEU   6  11.919  -4.009  -0.443
   48    H    GLN   7           HN       GLN   7  12.399  -4.651  -2.061
   49    HA   GLN   7           HA       GLN   7  10.578  -3.281  -3.840
   50    HB2  GLN   7           HB2      GLN   7  11.124  -6.221  -3.961
   51    HB3  GLN   7           HB1      GLN   7   9.512  -5.621  -4.325
   52    HG2  GLN   7           HG2      GLN   7  12.081  -5.011  -5.753
   53    HG3  GLN   7           HG1      GLN   7  10.655  -5.834  -6.381
   54   HE21  GLN   7          HE21      GLN   7   8.942  -2.450  -6.013
   55   HE22  GLN   7          HE22      GLN   7   8.883  -3.862  -5.020
   56    H    THR   8           HN       THR   8  10.771  -5.905  -1.413
   57    HA   THR   8           HA       THR   8   8.139  -5.508  -0.482
   58    HB   THR   8           HB       THR   8   9.132  -7.577   0.126
   59    HG1  THR   8           HG1      THR   8   7.977  -6.186   1.855
   60   HG21  THR   8          HG21      THR   8  11.484  -6.875  -0.031
   61   HG22  THR   8          HG22      THR   8  11.169  -7.779   1.450
   62   HG23  THR   8          HG23      THR   8  11.325  -6.024   1.505
   63    H    ILE   9           HN       ILE   9   7.799  -3.375  -0.286
   64    HA   ILE   9           HA       ILE   9   8.743  -2.140   2.154
   65    HB   ILE   9           HB       ILE   9   9.560  -1.410  -0.558
   66   HG12  ILE   9          HG12      ILE   9  11.115  -2.166   1.189
   67   HG13  ILE   9          HG11      ILE   9  11.535  -0.566   0.585
   68   HG21  ILE   9          HG21      ILE   9   9.735   1.025   0.010
   69   HG22  ILE   9          HG22      ILE   9   8.659   0.719   1.374
   70   HG23  ILE   9          HG23      ILE   9   8.097   0.440  -0.276
   71   HD11  ILE   9          HD11      ILE   9  10.100  -1.158   3.165
   72   HD12  ILE   9          HD12      ILE   9  10.528   0.444   2.563
   73   HD13  ILE   9          HD13      ILE   9  11.795  -0.705   2.995
   74    H    LEU  10           HN       LEU  10   6.827  -1.866  -0.766
   75    HA   LEU  10           HA       LEU  10   4.508  -1.042   0.738
   76    HB2  LEU  10           HB2      LEU  10   5.288   1.118   0.548
   77    HB3  LEU  10           HB1      LEU  10   6.044   0.822  -1.004
   78    HG   LEU  10           HG       LEU  10   3.192   0.516  -1.235
   79   HD11  LEU  10          HD11      LEU  10   4.119   3.181  -0.181
   80   HD12  LEU  10          HD12      LEU  10   3.155   2.009   0.718
   81   HD13  LEU  10          HD13      LEU  10   2.495   2.769  -0.731
   82   HD21  LEU  10          HD21      LEU  10   4.891   0.975  -3.010
   83   HD22  LEU  10          HD22      LEU  10   5.009   2.621  -2.386
   84   HD23  LEU  10          HD23      LEU  10   3.481   2.035  -3.044
   85    H    GLY  11           HN       GLY  11   2.638  -1.607  -0.270
   86    HA2  GLY  11           HA2      GLY  11   2.658  -2.189  -3.131
   87    HA3  GLY  11           HA1      GLY  11   2.342  -3.542  -2.054
   88    H    ARG  12           HN       ARG  12   1.283  -0.232  -1.516
   89    HA   ARG  12           HA       ARG  12  -0.779   0.685  -1.256
   90    HB2  ARG  12           HB1      ARG  12  -1.530  -1.327  -3.384
   91    HB3  ARG  12           HB2      ARG  12  -2.505   0.055  -2.902
   92    HG2  ARG  12           HG1      ARG  12  -0.743   1.567  -3.663
   93    HG3  ARG  12           HG2      ARG  12   0.234   0.180  -4.149
   94    HD2  ARG  12           HD2      ARG  12  -1.512  -0.492  -5.729
   95    HD3  ARG  12           HD1      ARG  12  -2.481   0.899  -5.247
   96    HE   ARG  12           HE       ARG  12   0.025   1.818  -6.079
   97   HH11  ARG  12          HH11      ARG  12  -2.605   0.985  -8.981
   98   HH12  ARG  12          HH12      ARG  12  -2.814   0.295  -7.406
   99   HH21  ARG  12          HH21      ARG  12   0.309   2.729  -8.150
  100   HH22  ARG  12          HH22      ARG  12  -0.830   2.368  -9.404
  101    H    VAL  13           HN       VAL  13   0.017  -1.825   0.227
  102    HA   VAL  13           HA       VAL  13  -2.471  -3.189   0.737
  103    HB   VAL  13           HB       VAL  13  -0.390  -4.439   0.890
  104   HG11  VAL  13          HG21      VAL  13   1.219  -4.017   2.691
  105   HG12  VAL  13          HG22      VAL  13   0.303  -2.587   3.166
  106   HG13  VAL  13          HG23      VAL  13   1.093  -2.645   1.591
  107   HG21  VAL  13          HG11      VAL  13  -1.718  -4.124   3.579
  108   HG22  VAL  13          HG12      VAL  13  -0.725  -5.492   3.076
  109   HG23  VAL  13          HG13      VAL  13  -2.260  -5.172   2.268
  110    H    ASN  14           HN       ASN  14  -3.810  -2.969   2.473
  111    HA   ASN  14           HA       ASN  14  -3.104  -1.139   4.625
  112    HB2  ASN  14           HB2      ASN  14  -5.181   0.162   4.374
  113    HB3  ASN  14           HB1      ASN  14  -4.138   0.329   2.965
  114   HD21  ASN  14          HD21      ASN  14  -6.358  -1.156   0.725
  115   HD22  ASN  14          HD22      ASN  14  -4.741  -0.624   1.022
  116    H    LYS  15           HN       LYS  15  -4.917  -3.736   3.325
  117    HA   LYS  15           HA       LYS  15  -6.197  -5.369   4.244
  118    HB2  LYS  15           HB2      LYS  15  -5.010  -4.358   6.835
  119    HB3  LYS  15           HB1      LYS  15  -5.871  -5.878   6.638
  120    HG2  LYS  15           HG2      LYS  15  -3.317  -5.152   5.218
  121    HG3  LYS  15           HG1      LYS  15  -3.423  -6.144   6.674
  122    HD2  LYS  15           HD2      LYS  15  -4.785  -7.777   5.469
  123    HD3  LYS  15           HD1      LYS  15  -4.696  -6.782   4.013
  124    HE2  LYS  15           HE2      LYS  15  -3.096  -8.621   3.920
  125    HE3  LYS  15           HE1      LYS  15  -2.274  -7.061   3.958
  126    HZ1  LYS  15           HZ1      LYS  15  -1.212  -8.649   5.429
  127    HZ2  LYS  15           HZ2      LYS  15  -2.656  -8.873   6.281
  128    HZ3  LYS  15           HZ3      LYS  15  -1.875  -7.374   6.323
  129    H    HIS  16           HN       HIS  16  -6.476  -3.305   7.089
  130    HA   HIS  16           HA       HIS  16  -8.954  -2.122   6.354
  131    HB2  HIS  16           HB1      HIS  16  -9.704  -4.464   6.701
  132    HB3  HIS  16           HB2      HIS  16  -9.101  -4.389   8.354
  133    HD1  HIS  16           HD1      HIS  16 -11.929  -3.308   6.196
  134    HD2  HIS  16           HD2      HIS  16 -10.657  -2.833  10.124
  135    HE1  HIS  16           HE1      HIS  16 -13.903  -2.360   7.433
  136    HE2  HIS  16           HE2      HIS  16 -13.112  -2.081   9.809
  137    H    SER  17           HN       SER  17  -9.130  -0.304   7.492
  138    HA   SER  17           HA       SER  17  -8.018  -0.210  10.210
  139    HB2  SER  17           HB1      SER  17  -7.066   2.023   9.741
  140    HB3  SER  17           HB2      SER  17  -6.347   0.780   8.716
  141    HG   SER  17           HG       SER  17  -6.854   2.481   7.400
  142    H    THR  18           HN       THR  18  -8.530   2.553  10.590
  143    HA   THR  18           HA       THR  18 -10.167   3.984  11.257
  144    HB   THR  18           HB       THR  18 -12.066   2.659   9.326
  145    HG1  THR  18           HG1      THR  18  -9.905   4.428   8.794
  146   HG21  THR  18          HG21      THR  18 -13.022   4.380  10.752
  147   HG22  THR  18          HG22      THR  18 -12.912   4.970   9.094
  148   HG23  THR  18          HG23      THR  18 -11.739   5.502  10.298
  149    H    SER  19           HN       SER  19 -10.036   0.920  11.991
  150    HA   SER  19           HA       SER  19 -12.668   0.671  13.243
  151    HB2  SER  19           HB2      SER  19 -10.398  -1.296  12.884
  152    HB3  SER  19           HB1      SER  19 -11.867  -1.655  13.793
  153    HG   SER  19           HG       SER  19 -12.448  -0.622  11.362
  154    H    ILE  20           HN       ILE  20 -12.966   1.186  15.301
  155    HA   ILE  20           HA       ILE  20 -10.648   1.153  17.120
  156    HB   ILE  20           HB       ILE  20 -12.878   3.193  17.143
  157   HG12  ILE  20          HG11      ILE  20  -9.958   3.544  16.420
  158   HG13  ILE  20          HG12      ILE  20 -11.273   3.455  15.253
  159   HG21  ILE  20          HG21      ILE  20 -11.532   4.302  18.870
  160   HG22  ILE  20          HG22      ILE  20 -10.386   2.962  18.827
  161   HG23  ILE  20          HG23      ILE  20 -12.042   2.689  19.370
  162   HD11  ILE  20          HD11      ILE  20 -12.253   5.478  16.204
  163   HD12  ILE  20          HD12      ILE  20 -10.604   5.749  15.639
  164   HD13  ILE  20          HD13      ILE  20 -10.928   5.570  17.364
  165    H    GLY  21           HN       GLY  21 -10.961  -0.401  18.570
  166    HA2  GLY  21           HA2      GLY  21 -12.059  -1.178  20.538
  167    HA3  GLY  21           HA1      GLY  21 -13.576  -0.568  19.896
  168    H    LYS  22           HN       LYS  22 -12.461  -1.911  17.265
  169    HA   LYS  22           HA       LYS  22 -14.056  -4.257  17.510
  170    HB2  LYS  22           HB1      LYS  22 -12.119  -3.445  15.334
  171    HB3  LYS  22           HB2      LYS  22 -13.292  -4.749  15.215
  172    HG2  LYS  22           HG1      LYS  22 -13.976  -1.845  15.624
  173    HG3  LYS  22           HG2      LYS  22 -14.020  -2.695  14.079
  174    HD2  LYS  22           HD2      LYS  22 -15.700  -4.238  14.985
  175    HD3  LYS  22           HD1      LYS  22 -15.666  -3.364  16.518
  176    HE2  LYS  22           HE1      LYS  22 -16.476  -2.227  13.845
  177    HE3  LYS  22           HE2      LYS  22 -17.570  -2.682  15.150
  178    HZ1  LYS  22           HZ1      LYS  22 -15.497  -0.559  15.291
  179    HZ2  LYS  22           HZ2      LYS  22 -16.542  -0.998  16.548
  180    HZ3  LYS  22           HZ3      LYS  22 -17.162  -0.305  15.134
  Start of MODEL    4
    1    H1   ACE   0           HA1      ACE   0   7.044   2.482  -9.429
    2    H2   ACE   0           HA2      ACE   0   6.979   0.727  -9.286
    3    H3   ACE   0           HA3      ACE   0   7.681   1.440 -10.737
    4    H    MET   1           HN       MET   1   8.131   2.350  -7.347
    5    HA   MET   1           HA       MET   1  10.819   1.267  -7.330
    6    HB2  MET   1           HB1      MET   1  11.124   3.446  -8.420
    7    HB3  MET   1           HB2      MET   1  10.332   4.239  -7.066
    8    HG2  MET   1           HG2      MET   1  12.123   3.512  -5.582
    9    HG3  MET   1           HG1      MET   1  12.915   2.700  -6.932
   10    HE1  MET   1           HE1      MET   1  12.429   4.750  -9.311
   11    HE2  MET   1           HE2      MET   1  13.979   3.965  -9.005
   12    HE3  MET   1           HE3      MET   1  13.904   5.713  -9.226
   13    H    ASP   2           HN       ASP   2  11.605   0.907  -5.286
   14    HA   ASP   2           HA       ASP   2  10.198   2.016  -2.989
   15    HB2  ASP   2           HB2      ASP   2  10.403  -0.963  -3.483
   16    HB3  ASP   2           HB1      ASP   2   9.857  -0.224  -1.981
   17    H    TRP   3           HN       TRP   3  11.377   1.849  -1.029
   18    HA   TRP   3           HA       TRP   3  13.247   1.817   0.274
   19    HB2  TRP   3           HB2      TRP   3  13.497  -0.509   0.063
   20    HB3  TRP   3           HB1      TRP   3  13.890  -0.404  -1.649
   21    HD1  TRP   3           HD1      TRP   3  16.359  -1.030  -2.030
   22    HE1  TRP   3           HE1      TRP   3  18.576  -0.665  -0.765
   23    HE3  TRP   3           HE3      TRP   3  14.548   1.468   1.956
   24    HZ2  TRP   3           HZ2      TRP   3  19.430   0.554   1.652
   25    HZ3  TRP   3           HZ3      TRP   3  16.095   2.225   3.734
   26    HH2  TRP   3           HH2      TRP   3  18.494   1.773   3.574
   27    H    GLY   4           HN       GLY   4  14.772   1.052  -2.773
   28    HA2  GLY   4           HA1      GLY   4  15.636   3.586  -3.549
   29    HA3  GLY   4           HA2      GLY   4  16.866   2.884  -2.494
   30    H    THR   5           HN       THR   5  16.169   0.196  -3.257
   31    HA   THR   5           HA       THR   5  16.517  -0.164  -6.077
   32    HB   THR   5           HB       THR   5  18.770  -1.184  -4.341
   33    HG1  THR   5           HG1      THR   5  18.834   1.150  -5.976
   34   HG21  THR   5          HG21      THR   5  19.922  -1.399  -6.508
   35   HG22  THR   5          HG22      THR   5  18.478  -0.801  -7.323
   36   HG23  THR   5          HG23      THR   5  18.431  -2.338  -6.460
   37    H    LEU   6           HN       LEU   6  14.905  -0.880  -3.640
   38    HA   LEU   6           HA       LEU   6  15.059  -3.824  -3.760
   39    HB2  LEU   6           HB1      LEU   6  15.311  -2.420  -1.554
   40    HB3  LEU   6           HB2      LEU   6  13.567  -2.293  -1.658
   41    HG   LEU   6           HG       LEU   6  14.247  -5.039  -1.949
   42   HD11  LEU   6          HD21      LEU   6  15.605  -3.667   0.370
   43   HD12  LEU   6          HD22      LEU   6  16.391  -4.556  -0.938
   44   HD13  LEU   6          HD23      LEU   6  15.370  -5.409   0.220
   45   HD21  LEU   6          HD11      LEU   6  12.162  -4.235  -1.051
   46   HD22  LEU   6          HD12      LEU   6  13.000  -3.436   0.280
   47   HD23  LEU   6          HD13      LEU   6  12.982  -5.197   0.180
   48    H    GLN   7           HN       GLN   7  12.611  -4.475  -2.788
   49    HA   GLN   7           HA       GLN   7  10.602  -3.013  -4.267
   50    HB2  GLN   7           HB2      GLN   7  11.420  -5.824  -4.905
   51    HB3  GLN   7           HB1      GLN   7   9.750  -5.327  -5.139
   52    HG2  GLN   7           HG2      GLN   7  12.026  -3.785  -6.329
   53    HG3  GLN   7           HG1      GLN   7  11.343  -5.198  -7.130
   54   HE21  GLN   7          HE21      GLN   7   8.541  -2.304  -6.546
   55   HE22  GLN   7          HE22      GLN   7   9.420  -2.976  -5.222
   56    H    THR   8           HN       THR   8  11.128  -6.000  -2.366
   57    HA   THR   8           HA       THR   8   8.513  -6.022  -1.312
   58    HB   THR   8           HB       THR   8   9.694  -8.071  -1.125
   59    HG1  THR   8           HG1      THR   8   8.605  -6.989   0.942
   60   HG21  THR   8          HG21      THR   8  11.818  -6.605   0.445
   61   HG22  THR   8          HG22      THR   8  11.970  -7.152  -1.225
   62   HG23  THR   8          HG23      THR   8  11.801  -8.330   0.078
   63    H    ILE   9           HN       ILE   9   8.000  -4.006  -0.710
   64    HA   ILE   9           HA       ILE   9   8.941  -3.165   1.894
   65    HB   ILE   9           HB       ILE   9   9.556  -1.859  -0.657
   66   HG12  ILE   9          HG12      ILE   9  11.265  -2.793   0.841
   67   HG13  ILE   9          HG11      ILE   9  11.511  -1.071   0.562
   68   HG21  ILE   9          HG21      ILE   9   7.952  -0.246   0.057
   69   HG22  ILE   9          HG22      ILE   9   9.555   0.425   0.357
   70   HG23  ILE   9          HG23      ILE   9   8.609  -0.229   1.694
   71   HD11  ILE   9          HD11      ILE   9  10.277  -2.302   3.017
   72   HD12  ILE   9          HD12      ILE   9  10.527  -0.578   2.740
   73   HD13  ILE   9          HD13      ILE   9  11.914  -1.659   2.882
   74    H    LEU  10           HN       LEU  10   6.852  -2.625  -0.857
   75    HA   LEU  10           HA       LEU  10   4.647  -1.970   0.957
   76    HB2  LEU  10           HB1      LEU  10   5.936  -0.080  -0.672
   77    HB3  LEU  10           HB2      LEU  10   4.427  -0.443  -1.473
   78    HG   LEU  10           HG       LEU  10   4.336   1.520   0.073
   79   HD11  LEU  10          HD11      LEU  10   2.540  -0.792   0.788
   80   HD12  LEU  10          HD12      LEU  10   2.323   0.292  -0.585
   81   HD13  LEU  10          HD13      LEU  10   2.200   0.916   1.060
   82   HD21  LEU  10          HD21      LEU  10   4.637  -0.594   2.199
   83   HD22  LEU  10          HD22      LEU  10   4.229   1.100   2.474
   84   HD23  LEU  10          HD23      LEU  10   5.809   0.668   1.818
   85    H    GLY  11           HN       GLY  11   2.541  -2.176  -0.029
   86    HA2  GLY  11           HA2      GLY  11   2.230  -3.312  -2.610
   87    HA3  GLY  11           HA1      GLY  11   2.122  -4.549  -1.365
   88    H    ARG  12           HN       ARG  12   1.107  -1.367  -0.566
   89    HA   ARG  12           HA       ARG  12  -0.894  -0.520   0.085
   90    HB2  ARG  12           HB1      ARG  12  -1.839  -2.050  -2.348
   91    HB3  ARG  12           HB2      ARG  12  -2.754  -0.794  -1.523
   92    HG2  ARG  12           HG1      ARG  12  -1.010   0.833  -2.072
   93    HG3  ARG  12           HG2      ARG  12  -0.108  -0.429  -2.915
   94    HD2  ARG  12           HD2      ARG  12  -1.967  -0.728  -4.469
   95    HD3  ARG  12           HD1      ARG  12  -2.882   0.519  -3.622
   96    HE   ARG  12           HE       ARG  12  -0.400   1.564  -4.449
   97   HH11  ARG  12          HH11      ARG  12  -3.394   1.590  -7.108
   98   HH12  ARG  12          HH12      ARG  12  -3.466   0.529  -5.741
   99   HH21  ARG  12          HH21      ARG  12  -0.297   2.965  -6.245
  100   HH22  ARG  12          HH22      ARG  12  -1.592   2.974  -7.395
  101    H    VAL  13           HN       VAL  13  -0.085  -3.179   1.118
  102    HA   VAL  13           HA       VAL  13  -2.224  -4.948   1.348
  103    HB   VAL  13           HB       VAL  13   0.023  -5.550   2.066
  104   HG11  VAL  13          HG21      VAL  13  -0.417  -3.599   4.323
  105   HG12  VAL  13          HG22      VAL  13   0.726  -3.417   2.993
  106   HG13  VAL  13          HG23      VAL  13   0.947  -4.705   4.177
  107   HG21  VAL  13          HG11      VAL  13  -0.532  -6.680   4.166
  108   HG22  VAL  13          HG12      VAL  13  -1.846  -6.803   2.996
  109   HG23  VAL  13          HG13      VAL  13  -1.961  -5.660   4.335
  110    H    ASN  14           HN       ASN  14  -1.544  -1.969   3.057
  111    HA   ASN  14           HA       ASN  14  -3.614  -2.390   5.024
  112    HB2  ASN  14           HB1      ASN  14  -1.985   0.073   4.367
  113    HB3  ASN  14           HB2      ASN  14  -3.065  -0.089   5.747
  114   HD21  ASN  14          HD21      ASN  14  -0.042  -1.052   4.342
  115   HD22  ASN  14          HD22      ASN  14   0.634  -1.746   5.773
  116    H    LYS  15           HN       LYS  15  -5.688  -2.200   4.527
  117    HA   LYS  15           HA       LYS  15  -6.571  -0.756   2.205
  118    HB2  LYS  15           HB2      LYS  15  -8.154  -2.107   4.399
  119    HB3  LYS  15           HB1      LYS  15  -8.828  -1.483   2.900
  120    HG2  LYS  15           HG1      LYS  15  -7.479  -3.076   1.629
  121    HG3  LYS  15           HG2      LYS  15  -6.809  -3.705   3.136
  122    HD2  LYS  15           HD1      LYS  15  -9.046  -4.380   3.855
  123    HD3  LYS  15           HD2      LYS  15  -9.723  -3.742   2.355
  124    HE2  LYS  15           HE1      LYS  15  -9.452  -6.159   2.226
  125    HE3  LYS  15           HE2      LYS  15  -8.398  -5.344   1.072
  126    HZ1  LYS  15           HZ1      LYS  15  -6.554  -5.633   2.607
  127    HZ2  LYS  15           HZ2      LYS  15  -7.243  -7.127   2.215
  128    HZ3  LYS  15           HZ3      LYS  15  -7.566  -6.415   3.714
  129    H    HIS  16           HN       HIS  16  -6.238  -0.100   5.577
  130    HA   HIS  16           HA       HIS  16  -7.288   2.594   5.136
  131    HB2  HIS  16           HB1      HIS  16  -9.127   1.283   6.139
  132    HB3  HIS  16           HB2      HIS  16  -8.080   0.869   7.493
  133    HD1  HIS  16           HD1      HIS  16 -10.138   3.642   6.099
  134    HD2  HIS  16           HD2      HIS  16  -7.639   2.944   9.345
  135    HE1  HIS  16           HE1      HIS  16 -10.530   5.563   7.675
  136    HE2  HIS  16           HE2      HIS  16  -9.009   5.120   9.633
  137    H    SER  17           HN       SER  17  -5.961   4.099   5.915
  138    HA   SER  17           HA       SER  17  -4.310   3.554   8.248
  139    HB2  SER  17           HB1      SER  17  -3.107   4.337   5.581
  140    HB3  SER  17           HB2      SER  17  -2.232   4.251   7.110
  141    HG   SER  17           HG       SER  17  -1.925   2.243   6.604
  142    H    THR  18           HN       THR  18  -4.028   5.992   5.688
  143    HA   THR  18           HA       THR  18  -3.843   8.273   5.870
  144    HB   THR  18           HB       THR  18  -6.257   7.896   5.494
  145    HG1  THR  18           HG1      THR  18  -5.099  10.084   6.570
  146   HG21  THR  18          HG21      THR  18  -6.462   8.129   8.499
  147   HG22  THR  18          HG22      THR  18  -6.822   6.697   7.536
  148   HG23  THR  18          HG23      THR  18  -7.824   8.139   7.379
  149    H    SER  19           HN       SER  19  -2.594   6.865   8.069
  150    HA   SER  19           HA       SER  19  -3.118   8.555  10.389
  151    HB2  SER  19           HB1      SER  19  -1.711   7.020  11.619
  152    HB3  SER  19           HB2      SER  19  -2.841   6.078  10.642
  153    HG   SER  19           HG       SER  19  -1.108   5.917   9.074
  154    H    ILE  20           HN       ILE  20  -2.003  10.354  10.715
  155    HA   ILE  20           HA       ILE  20   0.828  10.485  10.198
  156    HB   ILE  20           HB       ILE  20  -0.022  11.026   7.975
  157   HG12  ILE  20          HG11      ILE  20   1.016  13.286   7.727
  158   HG13  ILE  20          HG12      ILE  20   1.072  13.410   9.483
  159   HG21  ILE  20          HG21      ILE  20  -1.394  13.022   7.600
  160   HG22  ILE  20          HG22      ILE  20  -1.523  13.253   9.343
  161   HG23  ILE  20          HG23      ILE  20  -2.231  11.826   8.588
  162   HD11  ILE  20          HD11      ILE  20   2.489  11.341   7.822
  163   HD12  ILE  20          HD12      ILE  20   2.553  11.481   9.579
  164   HD13  ILE  20          HD13      ILE  20   3.224  12.760   8.567
  165    H    GLY  21           HN       GLY  21   1.841  12.016  11.434
  166    HA2  GLY  21           HA2      GLY  21   0.288  14.120  12.709
  167    HA3  GLY  21           HA1      GLY  21   0.928  12.889  13.787
  168    H    LYS  22           HN       LYS  22   3.136  12.961  11.439
  169    HA   LYS  22           HA       LYS  22   4.867  14.748  12.959
  170    HB2  LYS  22           HB2      LYS  22   5.508  12.844  10.698
  171    HB3  LYS  22           HB1      LYS  22   6.690  13.760  11.623
  172    HG2  LYS  22           HG1      LYS  22   6.031  12.569  13.651
  173    HG3  LYS  22           HG2      LYS  22   4.845  11.649  12.722
  174    HD2  LYS  22           HD2      LYS  22   6.644  10.721  11.346
  175    HD3  LYS  22           HD1      LYS  22   7.830  11.637  12.279
  176    HE2  LYS  22           HE1      LYS  22   7.727   9.326  13.037
  177    HE3  LYS  22           HE2      LYS  22   7.181  10.429  14.300
  178    HZ1  LYS  22           HZ1      LYS  22   5.422   8.844  12.506
  179    HZ2  LYS  22           HZ2      LYS  22   4.895   9.906  13.712
  180    HZ3  LYS  22           HZ3      LYS  22   5.741   8.503  14.132
  Start of MODEL    5
    1    H1   ACE   0           HA1      ACE   0  12.873  -1.298  -9.542
    2    H2   ACE   0           HA2      ACE   0  11.934  -2.038  -8.247
    3    H3   ACE   0           HA3      ACE   0  13.401  -1.151  -7.838
    4    H    MET   1           HN       MET   1  10.601  -0.771  -6.973
    5    HA   MET   1           HA       MET   1  10.439   2.080  -7.627
    6    HB2  MET   1           HB1      MET   1   7.991   1.940  -7.830
    7    HB3  MET   1           HB2      MET   1   8.806   0.994  -9.068
    8    HG2  MET   1           HG1      MET   1   8.401  -1.040  -7.758
    9    HG3  MET   1           HG2      MET   1   7.545  -0.078  -6.555
   10    HE1  MET   1           HE1      MET   1   6.093  -0.665 -10.897
   11    HE2  MET   1           HE2      MET   1   7.552  -1.408 -10.240
   12    HE3  MET   1           HE3      MET   1   7.482   0.338 -10.476
   13    H    ASP   2           HN       ASP   2  11.262   0.311  -5.311
   14    HA   ASP   2           HA       ASP   2   9.865   1.849  -3.267
   15    HB2  ASP   2           HB2      ASP   2  10.028  -1.173  -3.204
   16    HB3  ASP   2           HB1      ASP   2   9.476  -0.161  -1.872
   17    H    TRP   3           HN       TRP   3  10.990   1.871  -1.219
   18    HA   TRP   3           HA       TRP   3  12.839   1.999   0.108
   19    HB2  TRP   3           HB2      TRP   3  13.169  -0.323   0.114
   20    HB3  TRP   3           HB1      TRP   3  13.571  -0.367  -1.600
   21    HD1  TRP   3           HD1      TRP   3  16.070  -0.923  -1.924
   22    HE1  TRP   3           HE1      TRP   3  18.260  -0.377  -0.680
   23    HE3  TRP   3           HE3      TRP   3  14.138   1.825   1.838
   24    HZ2  TRP   3           HZ2      TRP   3  19.050   1.064   1.634
   25    HZ3  TRP   3           HZ3      TRP   3  15.643   2.777   3.556
   26    HH2  TRP   3           HH2      TRP   3  18.057   2.399   3.446
   27    H    GLY   4           HN       GLY   4  14.377   1.038  -2.881
   28    HA2  GLY   4           HA1      GLY   4  15.203   3.478  -3.883
   29    HA3  GLY   4           HA2      GLY   4  16.423   2.967  -2.711
   30    H    THR   5           HN       THR   5  15.744   0.163  -3.233
   31    HA   THR   5           HA       THR   5  16.238  -0.503  -5.951
   32    HB   THR   5           HB       THR   5  18.520   0.206  -5.372
   33    HG1  THR   5           HG1      THR   5  18.027  -1.794  -6.657
   34   HG21  THR   5          HG21      THR   5  19.804  -0.989  -3.662
   35   HG22  THR   5          HG22      THR   5  18.363  -1.900  -3.214
   36   HG23  THR   5          HG23      THR   5  18.419  -0.158  -2.954
   37    H    LEU   6           HN       LEU   6  14.582  -1.033  -3.514
   38    HA   LEU   6           HA       LEU   6  14.910  -3.957  -3.295
   39    HB2  LEU   6           HB1      LEU   6  15.045  -2.315  -1.245
   40    HB3  LEU   6           HB2      LEU   6  13.299  -2.314  -1.378
   41    HG   LEU   6           HG       LEU   6  14.125  -5.024  -1.385
   42   HD11  LEU   6          HD21      LEU   6  15.302  -5.136   0.778
   43   HD12  LEU   6          HD22      LEU   6  15.439  -3.376   0.774
   44   HD13  LEU   6          HD23      LEU   6  16.257  -4.329  -0.466
   45   HD21  LEU   6          HD11      LEU   6  12.868  -5.072   0.724
   46   HD22  LEU   6          HD12      LEU   6  12.013  -4.173  -0.528
   47   HD23  LEU   6          HD13      LEU   6  12.864  -3.309   0.753
   48    H    GLN   7           HN       GLN   7  12.445  -4.564  -2.233
   49    HA   GLN   7           HA       GLN   7  10.431  -3.432  -3.973
   50    HB2  GLN   7           HB2      GLN   7  10.843  -5.153  -5.426
   51    HB3  GLN   7           HB1      GLN   7  11.524  -6.183  -4.176
   52    HG2  GLN   7           HG1      GLN   7   9.551  -7.231  -4.905
   53    HG3  GLN   7           HG2      GLN   7   9.195  -6.525  -3.330
   54   HE21  GLN   7          HE21      GLN   7   6.732  -4.357  -4.493
   55   HE22  GLN   7          HE22      GLN   7   7.740  -4.849  -3.180
   56    H    THR   8           HN       THR   8  10.878  -6.158  -1.686
   57    HA   THR   8           HA       THR   8   8.291  -5.951  -0.615
   58    HB   THR   8           HB       THR   8   9.425  -7.995  -0.199
   59    HG1  THR   8           HG1      THR   8   9.145  -6.411   2.139
   60   HG21  THR   8          HG21      THR   8  11.577  -6.401   1.198
   61   HG22  THR   8          HG22      THR   8  11.722  -7.162  -0.386
   62   HG23  THR   8          HG23      THR   8  11.518  -8.157   1.055
   63    H    ILE   9           HN       ILE   9   7.803  -3.886  -0.210
   64    HA   ILE   9           HA       ILE   9   8.735  -2.793   2.289
   65    HB   ILE   9           HB       ILE   9   9.516  -1.791  -0.353
   66   HG12  ILE   9          HG12      ILE   9  11.120  -2.654   1.284
   67   HG13  ILE   9          HG11      ILE   9  11.463  -0.978   0.870
   68   HG21  ILE   9          HG21      ILE   9   8.602   0.120   1.792
   69   HG22  ILE   9          HG22      ILE   9   7.974  -0.033   0.150
   70   HG23  ILE   9          HG23      ILE   9   9.606   0.578   0.416
   71   HD11  ILE   9          HD11      ILE   9  10.408  -0.257   2.956
   72   HD12  ILE   9          HD12      ILE   9  11.754  -1.360   3.241
   73   HD13  ILE   9          HD13      ILE   9  10.095  -1.943   3.371
   74    H    LEU  10           HN       LEU  10   6.782  -2.448  -0.586
   75    HA   LEU  10           HA       LEU  10   4.420  -1.904   0.907
   76    HB2  LEU  10           HB2      LEU  10   5.272   0.294   1.111
   77    HB3  LEU  10           HB1      LEU  10   5.819   0.325  -0.548
   78    HG   LEU  10           HG       LEU  10   3.793   1.746   0.048
   79   HD11  LEU  10          HD21      LEU  10   2.830   1.480  -2.088
   80   HD12  LEU  10          HD22      LEU  10   3.315  -0.213  -2.177
   81   HD13  LEU  10          HD23      LEU  10   4.534   1.057  -2.258
   82   HD21  LEU  10          HD11      LEU  10   2.415  -0.932   0.004
   83   HD22  LEU  10          HD12      LEU  10   1.631   0.645   0.076
   84   HD23  LEU  10          HD13      LEU  10   2.632   0.096   1.420
   85    H    GLY  11           HN       GLY  11   2.795  -2.783  -0.203
   86    HA2  GLY  11           HA2      GLY  11   2.885  -2.725  -3.142
   87    HA3  GLY  11           HA1      GLY  11   2.691  -4.268  -2.324
   88    H    ARG  12           HN       ARG  12   1.274  -1.045  -1.787
   89    HA   ARG  12           HA       ARG  12  -0.881  -0.355  -1.550
   90    HB2  ARG  12           HB1      ARG  12  -1.422  -2.615  -3.486
   91    HB3  ARG  12           HB2      ARG  12  -2.534  -1.307  -3.106
   92    HG2  ARG  12           HG2      ARG  12  -0.950   0.310  -4.027
   93    HG3  ARG  12           HG1      ARG  12   0.162  -1.005  -4.414
   94    HD2  ARG  12           HD1      ARG  12  -1.103  -0.343  -6.383
   95    HD3  ARG  12           HD2      ARG  12  -1.518  -1.986  -5.897
   96    HE   ARG  12           HE       ARG  12  -3.345  -0.263  -4.695
   97   HH11  ARG  12          HH11      ARG  12  -4.010  -1.053  -8.564
   98   HH12  ARG  12          HH12      ARG  12  -2.431  -1.290  -7.895
   99   HH21  ARG  12          HH21      ARG  12  -5.715  -0.288  -7.239
  100   HH22  ARG  12          HH22      ARG  12  -5.429   0.054  -5.565
  101    H    VAL  13           HN       VAL  13   0.185  -2.451   0.236
  102    HA   VAL  13           HA       VAL  13  -1.649  -4.436   0.860
  103    HB   VAL  13           HB       VAL  13   0.026  -2.885   2.838
  104   HG11  VAL  13          HG11      VAL  13  -0.066  -4.942   4.170
  105   HG12  VAL  13          HG12      VAL  13  -1.141  -5.663   2.972
  106   HG13  VAL  13          HG13      VAL  13  -1.672  -4.263   3.904
  107   HG21  VAL  13          HG21      VAL  13   1.716  -4.628   2.492
  108   HG22  VAL  13          HG22      VAL  13   1.399  -3.723   1.013
  109   HG23  VAL  13          HG23      VAL  13   0.718  -5.336   1.223
  110    H    ASN  14           HN       ASN  14  -3.573  -4.505   1.865
  111    HA   ASN  14           HA       ASN  14  -5.093  -2.154   2.209
  112    HB2  ASN  14           HB1      ASN  14  -6.018  -4.427   1.698
  113    HB3  ASN  14           HB2      ASN  14  -5.677  -4.887   3.363
  114   HD21  ASN  14          HD21      ASN  14  -9.218  -3.684   2.851
  115   HD22  ASN  14          HD22      ASN  14  -8.215  -4.760   1.945
  116    H    LYS  15           HN       LYS  15  -4.931  -0.716   3.784
  117    HA   LYS  15           HA       LYS  15  -4.945  -1.477   6.538
  118    HB2  LYS  15           HB1      LYS  15  -2.558  -1.795   6.067
  119    HB3  LYS  15           HB2      LYS  15  -2.452  -0.152   5.450
  120    HG2  LYS  15           HG1      LYS  15  -1.560  -0.248   7.683
  121    HG3  LYS  15           HG2      LYS  15  -3.046   0.702   7.679
  122    HD2  LYS  15           HD1      LYS  15  -4.286  -1.244   8.505
  123    HD3  LYS  15           HD2      LYS  15  -2.793  -2.184   8.522
  124    HE2  LYS  15           HE2      LYS  15  -1.836  -0.643  10.156
  125    HE3  LYS  15           HE1      LYS  15  -3.318   0.312  10.131
  126    HZ1  LYS  15           HZ1      LYS  15  -3.096  -2.517  11.009
  127    HZ2  LYS  15           HZ2      LYS  15  -4.521  -1.607  10.979
  128    HZ3  LYS  15           HZ3      LYS  15  -3.266  -1.176  12.026
  129    H    HIS  16           HN       HIS  16  -3.888   1.247   4.489
  130    HA   HIS  16           HA       HIS  16  -5.897   2.922   5.839
  131    HB2  HIS  16           HB2      HIS  16  -4.321   4.824   5.709
  132    HB3  HIS  16           HB1      HIS  16  -3.709   3.521   6.722
  133    HD1  HIS  16           HD1      HIS  16  -2.922   5.509   3.729
  134    HD2  HIS  16           HD2      HIS  16  -1.575   2.011   5.524
  135    HE1  HIS  16           HE1      HIS  16  -0.703   5.012   2.653
  136    HE2  HIS  16           HE2      HIS  16   0.094   2.890   3.755
  137    H    SER  17           HN       SER  17  -5.725   5.206   4.441
  138    HA   SER  17           HA       SER  17  -6.603   6.184   2.577
  139    HB2  SER  17           HB1      SER  17  -5.352   5.809   0.518
  140    HB3  SER  17           HB2      SER  17  -4.243   5.866   1.886
  141    HG   SER  17           HG       SER  17  -3.829   4.120   0.424
  142    H    THR  18           HN       THR  18  -7.973   3.799   3.564
  143    HA   THR  18           HA       THR  18  -8.912   2.359   1.252
  144    HB   THR  18           HB       THR  18 -10.258   2.370   3.948
  145    HG1  THR  18           HG1      THR  18  -7.717   1.753   3.502
  146   HG21  THR  18          HG21      THR  18 -10.765   0.039   3.352
  147   HG22  THR  18          HG22      THR  18  -9.920   0.253   1.819
  148   HG23  THR  18          HG23      THR  18 -11.391   1.167   2.149
  149    H    SER  19           HN       SER  19  -9.208   5.224   1.162
  150    HA   SER  19           HA       SER  19 -11.982   5.848   1.609
  151    HB2  SER  19           HB2      SER  19 -10.069   7.500   1.805
  152    HB3  SER  19           HB1      SER  19  -9.959   7.460   0.045
  153    HG   SER  19           HG       SER  19 -11.296   9.130   0.485
  154    H    ILE  20           HN       ILE  20 -11.021   3.723  -0.369
  155    HA   ILE  20           HA       ILE  20 -12.042   4.757  -2.891
  156    HB   ILE  20           HB       ILE  20 -10.076   3.326  -2.981
  157   HG12  ILE  20          HG11      ILE  20 -12.491   1.883  -4.102
  158   HG13  ILE  20          HG12      ILE  20 -11.728   3.285  -4.846
  159   HG21  ILE  20          HG21      ILE  20 -10.494   2.001  -0.978
  160   HG22  ILE  20          HG22      ILE  20 -10.187   0.962  -2.368
  161   HG23  ILE  20          HG23      ILE  20 -11.835   1.188  -1.784
  162   HD11  ILE  20          HD11      ILE  20 -11.031   1.236  -5.928
  163   HD12  ILE  20          HD12      ILE  20 -10.436   0.608  -4.391
  164   HD13  ILE  20          HD13      ILE  20  -9.666   2.013  -5.127
  165    H    GLY  21           HN       GLY  21 -13.953   4.197  -3.825
  166    HA2  GLY  21           HA1      GLY  21 -15.672   2.296  -2.368
  167    HA3  GLY  21           HA2      GLY  21 -16.280   3.882  -2.812
  168    H    LYS  22           HN       LYS  22 -14.126   2.605  -5.088
  169    HA   LYS  22           HA       LYS  22 -14.377   1.876  -7.226
  170    HB2  LYS  22           HB2      LYS  22 -16.747   0.416  -6.047
  171    HB3  LYS  22           HB1      LYS  22 -16.022   0.078  -7.613
  172    HG2  LYS  22           HG1      LYS  22 -13.934  -0.551  -6.520
  173    HG3  LYS  22           HG2      LYS  22 -14.650  -0.200  -4.946
  174    HD2  LYS  22           HD2      LYS  22 -16.335  -1.933  -5.325
  175    HD3  LYS  22           HD1      LYS  22 -15.621  -2.283  -6.901
  176    HE2  LYS  22           HE1      LYS  22 -14.890  -3.896  -5.221
  177    HE3  LYS  22           HE2      LYS  22 -13.536  -2.940  -5.824
  178    HZ1  LYS  22           HZ1      LYS  22 -13.664  -1.567  -3.846
  179    HZ2  LYS  22           HZ2      LYS  22 -13.452  -3.190  -3.423
  180    HZ3  LYS  22           HZ3      LYS  22 -14.974  -2.469  -3.269
  Start of MODEL    6
    1    H1   ACE   0           HA1      ACE   0  11.237  -2.592  -9.111
    2    H2   ACE   0           HA2      ACE   0  12.536  -1.916  -8.131
    3    H3   ACE   0           HA3      ACE   0  12.538  -1.626  -9.869
    4    H    MET   1           HN       MET   1  10.387  -1.209  -7.062
    5    HA   MET   1           HA       MET   1  10.006   1.576  -7.798
    6    HB2  MET   1           HB2      MET   1   7.544   1.400  -7.734
    7    HB3  MET   1           HB1      MET   1   8.244   0.485  -9.063
    8    HG2  MET   1           HG2      MET   1   8.003  -1.575  -7.773
    9    HG3  MET   1           HG1      MET   1   7.298  -0.657  -6.443
   10    HE1  MET   1           HE1      MET   1   4.961   0.578  -6.570
   11    HE2  MET   1           HE2      MET   1   3.951   0.621  -8.015
   12    HE3  MET   1           HE3      MET   1   5.498   1.467  -7.995
   13    H    ASP   2           HN       ASP   2  11.101  -0.142  -5.572
   14    HA   ASP   2           HA       ASP   2   9.879   1.371  -3.404
   15    HB2  ASP   2           HB1      ASP   2  10.127  -1.644  -3.350
   16    HB3  ASP   2           HB2      ASP   2   9.700  -0.643  -1.966
   17    H    TRP   3           HN       TRP   3  11.301   1.878  -1.777
   18    HA   TRP   3           HA       TRP   3  13.306   2.210  -0.744
   19    HB2  TRP   3           HB2      TRP   3  13.196  -0.176  -0.231
   20    HB3  TRP   3           HB1      TRP   3  13.875  -0.557  -1.807
   21    HD1  TRP   3           HD1      TRP   3  16.366  -1.190  -1.646
   22    HE1  TRP   3           HE1      TRP   3  18.342  -0.537  -0.128
   23    HE3  TRP   3           HE3      TRP   3  13.979   2.117   1.321
   24    HZ2  TRP   3           HZ2      TRP   3  18.809   1.191   2.073
   25    HZ3  TRP   3           HZ3      TRP   3  15.223   3.257   3.130
   26    HH2  TRP   3           HH2      TRP   3  17.599   2.796   3.492
   27    H    GLY   4           HN       GLY   4  15.680   2.444  -1.151
   28    HA2  GLY   4           HA1      GLY   4  16.201   3.814  -3.512
   29    HA3  GLY   4           HA2      GLY   4  17.422   3.160  -2.426
   30    H    THR   5           HN       THR   5  16.011   0.477  -2.936
   31    HA   THR   5           HA       THR   5  16.185  -0.347  -5.566
   32    HB   THR   5           HB       THR   5  18.512   0.163  -5.670
   33    HG1  THR   5           HG1      THR   5  17.641  -2.209  -6.062
   34   HG21  THR   5          HG21      THR   5  18.826  -1.363  -3.081
   35   HG22  THR   5          HG22      THR   5  18.974   0.381  -3.287
   36   HG23  THR   5          HG23      THR   5  20.146  -0.698  -4.043
   37    H    LEU   6           HN       LEU   6  14.356  -1.235  -4.279
   38    HA   LEU   6           HA       LEU   6  14.924  -3.969  -3.468
   39    HB2  LEU   6           HB1      LEU   6  15.064  -2.278  -1.481
   40    HB3  LEU   6           HB2      LEU   6  13.318  -2.256  -1.604
   41    HG   LEU   6           HG       LEU   6  14.126  -4.976  -1.484
   42   HD11  LEU   6          HD21      LEU   6  15.259  -4.956   0.716
   43   HD12  LEU   6          HD22      LEU   6  15.412  -3.200   0.592
   44   HD13  LEU   6          HD23      LEU   6  16.243  -4.245  -0.564
   45   HD21  LEU   6          HD11      LEU   6  12.870  -4.851   0.663
   46   HD22  LEU   6          HD12      LEU   6  12.005  -4.151  -0.705
   47   HD23  LEU   6          HD13      LEU   6  12.797  -3.098   0.467
   48    H    GLN   7           HN       GLN   7  12.482  -4.605  -2.373
   49    HA   GLN   7           HA       GLN   7  10.422  -3.533  -4.087
   50    HB2  GLN   7           HB1      GLN   7  10.714  -5.213  -5.574
   51    HB3  GLN   7           HB2      GLN   7  11.634  -6.185  -4.437
   52    HG2  GLN   7           HG1      GLN   7   9.747  -7.456  -4.899
   53    HG3  GLN   7           HG2      GLN   7   9.411  -6.720  -3.336
   54   HE21  GLN   7          HE21      GLN   7   7.257  -4.252  -5.234
   55   HE22  GLN   7          HE22      GLN   7   8.808  -4.100  -4.493
   56    H    THR   8           HN       THR   8  11.103  -6.107  -1.696
   57    HA   THR   8           HA       THR   8   8.473  -6.067  -0.645
   58    HB   THR   8           HB       THR   8   9.703  -8.043  -0.196
   59    HG1  THR   8           HG1      THR   8   8.481  -6.948   1.642
   60   HG21  THR   8          HG21      THR   8  11.805  -6.324   1.129
   61   HG22  THR   8          HG22      THR   8  11.956  -7.106  -0.445
   62   HG23  THR   8          HG23      THR   8  11.824  -8.085   1.016
   63    H    ILE   9           HN       ILE   9   7.916  -3.993  -0.309
   64    HA   ILE   9           HA       ILE   9   8.806  -2.820   2.174
   65    HB   ILE   9           HB       ILE   9   9.539  -1.856  -0.486
   66   HG12  ILE   9          HG12      ILE   9  11.154  -2.572   1.223
   67   HG13  ILE   9          HG11      ILE   9  11.432  -0.910   0.709
   68   HG21  ILE   9          HG21      ILE   9   8.483   0.078   1.572
   69   HG22  ILE   9          HG22      ILE   9   7.899  -0.169  -0.076
   70   HG23  ILE   9          HG23      ILE   9   9.488   0.543   0.199
   71   HD11  ILE   9          HD11      ILE   9  10.342  -0.102   2.736
   72   HD12  ILE   9          HD12      ILE   9  11.707  -1.156   3.109
   73   HD13  ILE   9          HD13      ILE   9  10.059  -1.766   3.248
   74    H    LEU  10           HN       LEU  10   6.834  -2.528  -0.706
   75    HA   LEU  10           HA       LEU  10   4.435  -2.160   0.764
   76    HB2  LEU  10           HB2      LEU  10   5.184   0.063   1.112
   77    HB3  LEU  10           HB1      LEU  10   5.737   0.218  -0.539
   78    HG   LEU  10           HG       LEU  10   3.625   1.485   0.144
   79   HD11  LEU  10          HD21      LEU  10   3.373  -0.319  -2.247
   80   HD12  LEU  10          HD22      LEU  10   4.426   1.091  -2.181
   81   HD13  LEU  10          HD23      LEU  10   2.679   1.289  -2.030
   82   HD21  LEU  10          HD11      LEU  10   2.545  -0.348   1.350
   83   HD22  LEU  10          HD12      LEU  10   2.404  -1.252  -0.156
   84   HD23  LEU  10          HD13      LEU  10   1.533   0.268   0.044
   85    H    GLY  11           HN       GLY  11   2.943  -3.147  -0.414
   86    HA2  GLY  11           HA2      GLY  11   3.071  -2.907  -3.350
   87    HA3  GLY  11           HA1      GLY  11   2.878  -4.482  -2.595
   88    H    ARG  12           HN       ARG  12   1.411  -1.280  -2.065
   89    HA   ARG  12           HA       ARG  12  -0.750  -0.615  -1.858
   90    HB2  ARG  12           HB2      ARG  12  -0.781  -1.287  -4.245
   91    HB3  ARG  12           HB1      ARG  12  -1.299  -2.897  -3.764
   92    HG2  ARG  12           HG2      ARG  12  -3.349  -1.958  -2.821
   93    HG3  ARG  12           HG1      ARG  12  -2.830  -0.344  -3.312
   94    HD2  ARG  12           HD2      ARG  12  -2.830  -1.055  -5.651
   95    HD3  ARG  12           HD1      ARG  12  -3.343  -2.669  -5.163
   96    HE   ARG  12           HE       ARG  12  -5.195  -0.854  -4.150
   97   HH11  ARG  12          HH11      ARG  12  -5.580  -1.715  -8.042
   98   HH12  ARG  12          HH12      ARG  12  -4.068  -1.992  -7.245
   99   HH21  ARG  12          HH21      ARG  12  -7.191  -0.488  -5.191
  100   HH22  ARG  12          HH22      ARG  12  -7.356  -0.861  -6.875
  101    H    VAL  13           HN       VAL  13  -0.529  -1.431   0.377
  102    HA   VAL  13           HA       VAL  13  -2.186  -3.807   0.887
  103    HB   VAL  13           HB       VAL  13   0.044  -3.936   1.862
  104   HG11  VAL  13          HG21      VAL  13   0.750  -2.383   3.621
  105   HG12  VAL  13          HG22      VAL  13  -0.705  -1.423   3.353
  106   HG13  VAL  13          HG23      VAL  13   0.509  -1.558   2.080
  107   HG21  VAL  13          HG11      VAL  13  -1.795  -4.996   3.059
  108   HG22  VAL  13          HG12      VAL  13  -2.090  -3.503   3.950
  109   HG23  VAL  13          HG13      VAL  13  -0.582  -4.387   4.185
  110    H    ASN  14           HN       ASN  14  -3.984  -3.697   2.164
  111    HA   ASN  14           HA       ASN  14  -5.099  -1.053   2.582
  112    HB2  ASN  14           HB1      ASN  14  -7.169  -2.264   3.156
  113    HB3  ASN  14           HB2      ASN  14  -6.519  -2.784   1.605
  114   HD21  ASN  14          HD21      ASN  14  -6.796  -5.349   4.731
  115   HD22  ASN  14          HD22      ASN  14  -7.092  -3.657   4.913
  116    H    LYS  15           HN       LYS  15  -6.338  -0.676   4.663
  117    HA   LYS  15           HA       LYS  15  -4.564  -1.327   6.901
  118    HB2  LYS  15           HB1      LYS  15  -5.011   1.053   6.456
  119    HB3  LYS  15           HB2      LYS  15  -6.731   0.771   6.685
  120    HG2  LYS  15           HG2      LYS  15  -6.315   0.134   9.009
  121    HG3  LYS  15           HG1      LYS  15  -4.591   0.434   8.776
  122    HD2  LYS  15           HD1      LYS  15  -5.077   2.780   8.257
  123    HD3  LYS  15           HD2      LYS  15  -6.797   2.475   8.510
  124    HE2  LYS  15           HE1      LYS  15  -6.342   1.857  10.834
  125    HE3  LYS  15           HE2      LYS  15  -4.626   2.169  10.580
  126    HZ1  LYS  15           HZ1      LYS  15  -5.153   4.482  10.113
  127    HZ2  LYS  15           HZ2      LYS  15  -5.708   4.040  11.649
  128    HZ3  LYS  15           HZ3      LYS  15  -6.799   4.181  10.365
  129    H    HIS  16           HN       HIS  16  -5.266  -2.309   8.754
  130    HA   HIS  16           HA       HIS  16  -7.836  -3.687   8.562
  131    HB2  HIS  16           HB1      HIS  16  -5.652  -4.901   9.055
  132    HB3  HIS  16           HB2      HIS  16  -5.682  -4.123  10.634
  133    HD1  HIS  16           HD1      HIS  16  -7.213  -5.105  12.396
  134    HD2  HIS  16           HD2      HIS  16  -7.722  -6.829   8.649
  135    HE1  HIS  16           HE1      HIS  16  -8.686  -7.107  12.772
  136    HE2  HIS  16           HE2      HIS  16  -8.983  -8.136  10.491
  137    H    SER  17           HN       SER  17  -8.938  -4.041  10.784
  138    HA   SER  17           HA       SER  17  -9.667  -1.459  11.778
  139    HB2  SER  17           HB2      SER  17 -11.222  -2.715  13.237
  140    HB3  SER  17           HB1      SER  17 -11.341  -3.231  11.555
  141    HG   SER  17           HG       SER  17 -11.256  -5.044  12.868
  142    H    THR  18           HN       THR  18  -6.950  -3.012  12.342
  143    HA   THR  18           HA       THR  18  -6.852  -2.948  15.225
  144    HB   THR  18           HB       THR  18  -4.473  -3.115  13.370
  145    HG1  THR  18           HG1      THR  18  -6.475  -4.985  13.908
  146   HG21  THR  18          HG21      THR  18  -3.975  -2.797  15.743
  147   HG22  THR  18          HG22      THR  18  -3.505  -4.414  15.219
  148   HG23  THR  18          HG23      THR  18  -4.985  -4.183  16.151
  149    H    SER  19           HN       SER  19  -7.726  -0.533  14.402
  150    HA   SER  19           HA       SER  19  -5.567   1.353  14.128
  151    HB2  SER  19           HB1      SER  19  -7.281   3.024  13.991
  152    HB3  SER  19           HB2      SER  19  -7.859   1.618  13.092
  153    HG   SER  19           HG       SER  19  -9.504   2.346  14.419
  154    H    ILE  20           HN       ILE  20  -5.872  -0.396  16.577
  155    HA   ILE  20           HA       ILE  20  -5.474  -0.248  18.810
  156    HB   ILE  20           HB       ILE  20  -4.846   2.652  18.242
  157   HG12  ILE  20          HG11      ILE  20  -2.981   0.271  18.369
  158   HG13  ILE  20          HG12      ILE  20  -3.526   1.034  16.878
  159   HG21  ILE  20          HG21      ILE  20  -5.213   2.213  20.605
  160   HG22  ILE  20          HG22      ILE  20  -3.506   2.525  20.292
  161   HG23  ILE  20          HG23      ILE  20  -4.068   0.872  20.549
  162   HD11  ILE  20          HD11      ILE  20  -1.883   2.338  19.034
  163   HD12  ILE  20          HD12      ILE  20  -2.439   3.115  17.551
  164   HD13  ILE  20          HD13      ILE  20  -1.299   1.772  17.469
  165    H    GLY  21           HN       GLY  21  -7.366  -0.578  19.828
  166    HA2  GLY  21           HA2      GLY  21  -8.662   1.551  21.146
  167    HA3  GLY  21           HA1      GLY  21  -9.617   1.083  19.747
  168    H    LYS  22           HN       LYS  22  -8.233  -1.702  20.428
  169    HA   LYS  22           HA       LYS  22  -9.678  -2.493  22.785
  170    HB2  LYS  22           HB1      LYS  22 -10.973  -4.277  21.495
  171    HB3  LYS  22           HB2      LYS  22 -11.563  -2.625  21.383
  172    HG2  LYS  22           HG1      LYS  22 -10.476  -2.382  19.206
  173    HG3  LYS  22           HG2      LYS  22  -9.893  -4.044  19.317
  174    HD2  LYS  22           HD2      LYS  22 -12.199  -4.853  19.390
  175    HD3  LYS  22           HD1      LYS  22 -12.787  -3.191  19.293
  176    HE2  LYS  22           HE1      LYS  22 -11.137  -4.609  17.204
  177    HE3  LYS  22           HE2      LYS  22 -12.871  -4.300  17.115
  178    HZ1  LYS  22           HZ1      LYS  22 -11.622  -2.673  15.848
  179    HZ2  LYS  22           HZ2      LYS  22 -10.752  -2.224  17.227
  180    HZ3  LYS  22           HZ3      LYS  22 -12.415  -1.928  17.144
  Start of MODEL    7
    1    H1   ACE   0           HA1      ACE   0  12.148  -0.660  -6.910
    2    H2   ACE   0           HA2      ACE   0  13.441   0.520  -7.106
    3    H3   ACE   0           HA3      ACE   0  12.618  -0.090  -8.540
    4    H    MET   1           HN       MET   1  10.220   0.090  -6.430
    5    HA   MET   1           HA       MET   1   9.600   2.887  -7.116
    6    HB2  MET   1           HB1      MET   1   7.698   0.559  -6.788
    7    HB3  MET   1           HB2      MET   1   7.222   2.218  -7.121
    8    HG2  MET   1           HG2      MET   1   8.881   0.462  -8.916
    9    HG3  MET   1           HG1      MET   1   7.176   0.854  -9.131
   10    HE1  MET   1           HE1      MET   1   7.660   1.645 -11.621
   11    HE2  MET   1           HE2      MET   1   9.366   1.251 -11.412
   12    HE3  MET   1           HE3      MET   1   8.898   2.828 -12.045
   13    H    ASP   2           HN       ASP   2  10.839   1.531  -4.676
   14    HA   ASP   2           HA       ASP   2   9.320   3.047  -2.724
   15    HB2  ASP   2           HB1      ASP   2   9.819   0.090  -2.409
   16    HB3  ASP   2           HB2      ASP   2   9.258   1.148  -1.119
   17    H    TRP   3           HN       TRP   3  11.469   0.505  -1.861
   18    HA   TRP   3           HA       TRP   3  13.191   2.027  -0.318
   19    HB2  TRP   3           HB2      TRP   3  13.136  -0.388  -0.126
   20    HB3  TRP   3           HB1      TRP   3  13.703  -0.562  -1.780
   21    HD1  TRP   3           HD1      TRP   3  16.208  -1.136  -1.932
   22    HE1  TRP   3           HE1      TRP   3  18.283  -0.746  -0.455
   23    HE3  TRP   3           HE3      TRP   3  14.028   1.542   1.740
   24    HZ2  TRP   3           HZ2      TRP   3  18.897   0.557   1.989
   25    HZ3  TRP   3           HZ3      TRP   3  15.390   2.350   3.641
   26    HH2  TRP   3           HH2      TRP   3  17.783   1.860   3.755
   27    H    GLY   4           HN       GLY   4  15.551   2.377  -0.725
   28    HA2  GLY   4           HA1      GLY   4  16.050   4.105  -2.805
   29    HA3  GLY   4           HA2      GLY   4  17.292   3.201  -1.945
   30    H    THR   5           HN       THR   5  15.829   0.704  -2.870
   31    HA   THR   5           HA       THR   5  15.755   0.398  -5.609
   32    HB   THR   5           HB       THR   5  18.066   0.938  -5.836
   33    HG1  THR   5           HG1      THR   5  17.241  -1.117  -6.815
   34   HG21  THR   5          HG21      THR   5  18.633  -1.055  -3.638
   35   HG22  THR   5          HG22      THR   5  18.733   0.699  -3.493
   36   HG23  THR   5          HG23      THR   5  19.844  -0.162  -4.559
   37    H    LEU   6           HN       LEU   6  14.044  -0.750  -4.406
   38    HA   LEU   6           HA       LEU   6  14.669  -3.576  -4.148
   39    HB2  LEU   6           HB1      LEU   6  14.987  -2.298  -1.904
   40    HB3  LEU   6           HB2      LEU   6  13.238  -2.229  -1.883
   41    HG   LEU   6           HG       LEU   6  14.013  -4.936  -2.318
   42   HD11  LEU   6          HD21      LEU   6  15.235  -5.307  -0.197
   43   HD12  LEU   6          HD22      LEU   6  15.397  -3.557  -0.017
   44   HD13  LEU   6          HD23      LEU   6  16.171  -4.383  -1.372
   45   HD21  LEU   6          HD11      LEU   6  12.864  -5.182  -0.107
   46   HD22  LEU   6          HD12      LEU   6  11.934  -4.299  -1.318
   47   HD23  LEU   6          HD13      LEU   6  12.762  -3.421  -0.032
   48    H    GLN   7           HN       GLN   7  12.349  -4.484  -3.063
   49    HA   GLN   7           HA       GLN   7  10.143  -3.108  -4.319
   50    HB2  GLN   7           HB2      GLN   7  11.200  -5.735  -5.232
   51    HB3  GLN   7           HB1      GLN   7   9.454  -5.513  -5.216
   52    HG2  GLN   7           HG2      GLN   7  11.406  -3.697  -6.608
   53    HG3  GLN   7           HG1      GLN   7  10.484  -4.982  -7.390
   54   HE21  GLN   7          HE21      GLN   7  10.237  -1.924  -5.682
   55   HE22  GLN   7          HE22      GLN   7   8.689  -1.482  -6.307
   56    H    THR   8           HN       THR   8  11.069  -6.064  -2.534
   57    HA   THR   8           HA       THR   8   8.509  -6.357  -1.354
   58    HB   THR   8           HB       THR   8   9.850  -8.315  -1.338
   59    HG1  THR   8           HG1      THR   8   8.807  -7.416   0.835
   60   HG21  THR   8          HG21      THR   8  12.038  -8.463  -0.272
   61   HG22  THR   8          HG22      THR   8  11.948  -6.761   0.179
   62   HG23  THR   8          HG23      THR   8  12.042  -7.218  -1.522
   63    H    ILE   9           HN       ILE   9   7.913  -4.382  -0.648
   64    HA   ILE   9           HA       ILE   9   8.916  -3.613   1.952
   65    HB   ILE   9           HB       ILE   9   9.422  -2.183  -0.547
   66   HG12  ILE   9          HG12      ILE   9  11.178  -3.091   0.917
   67   HG13  ILE   9          HG11      ILE   9  11.358  -1.357   0.667
   68   HG21  ILE   9          HG21      ILE   9   9.325   0.067   0.524
   69   HG22  ILE   9          HG22      ILE   9   8.441  -0.663   1.866
   70   HG23  ILE   9          HG23      ILE   9   7.749  -0.671   0.242
   71   HD11  ILE   9          HD11      ILE   9  10.198  -2.677   3.111
   72   HD12  ILE   9          HD12      ILE   9  10.381  -0.941   2.864
   73   HD13  ILE   9          HD13      ILE   9  11.808  -1.972   2.972
   74    H    LEU  10           HN       LEU  10   6.677  -3.119  -0.678
   75    HA   LEU  10           HA       LEU  10   4.549  -2.543   1.251
   76    HB2  LEU  10           HB1      LEU  10   5.678  -0.623  -0.466
   77    HB3  LEU  10           HB2      LEU  10   4.136  -1.043  -1.167
   78    HG   LEU  10           HG       LEU  10   4.076   0.932   0.365
   79   HD11  LEU  10          HD11      LEU  10   2.068  -0.370  -0.154
   80   HD12  LEU  10          HD12      LEU  10   2.026   0.275   1.487
   81   HD13  LEU  10          HD13      LEU  10   2.405  -1.427   1.217
   82   HD21  LEU  10          HD21      LEU  10   5.685   0.136   2.018
   83   HD22  LEU  10          HD22      LEU  10   4.568  -1.145   2.490
   84   HD23  LEU  10          HD23      LEU  10   4.139   0.544   2.766
   85    H    GLY  11           HN       GLY  11   2.386  -2.743   0.293
   86    HA2  GLY  11           HA2      GLY  11   2.137  -4.111  -2.218
   87    HA3  GLY  11           HA1      GLY  11   1.829  -5.144  -0.826
   88    H    ARG  12           HN       ARG  12   1.093  -1.831  -0.482
   89    HA   ARG  12           HA       ARG  12  -0.840  -0.706  -0.117
   90    HB2  ARG  12           HB1      ARG  12  -1.890  -2.449  -2.354
   91    HB3  ARG  12           HB2      ARG  12  -2.572  -0.921  -1.819
   92    HG2  ARG  12           HG1      ARG  12   0.159  -1.275  -3.038
   93    HG3  ARG  12           HG2      ARG  12  -1.277  -0.694  -3.884
   94    HD2  ARG  12           HD1      ARG  12  -1.406   1.213  -2.359
   95    HD3  ARG  12           HD2      ARG  12   0.026   0.632  -1.509
   96    HE   ARG  12           HE       ARG  12   0.502   1.002  -4.300
   97   HH11  ARG  12          HH11      ARG  12   1.307   3.963  -1.728
   98   HH12  ARG  12          HH12      ARG  12   0.274   2.659  -1.243
   99   HH21  ARG  12          HH21      ARG  12   2.209   3.995  -3.831
  100   HH22  ARG  12          HH22      ARG  12   1.861   2.715  -4.945
  101    H    VAL  13           HN       VAL  13  -0.385  -3.377   1.204
  102    HA   VAL  13           HA       VAL  13  -3.013  -4.490   1.582
  103    HB   VAL  13           HB       VAL  13  -1.952  -5.920   3.279
  104   HG11  VAL  13          HG11      VAL  13  -0.386  -5.705   0.710
  105   HG12  VAL  13          HG12      VAL  13  -1.889  -6.599   0.943
  106   HG13  VAL  13          HG13      VAL  13  -0.421  -7.109   1.778
  107   HG21  VAL  13          HG21      VAL  13   0.538  -4.326   2.671
  108   HG22  VAL  13          HG22      VAL  13   0.466  -5.783   3.664
  109   HG23  VAL  13          HG23      VAL  13  -0.361  -4.316   4.189
  110    H    ASN  14           HN       ASN  14  -1.470  -1.776   2.751
  111    HA   ASN  14           HA       ASN  14  -2.757  -1.850   5.371
  112    HB2  ASN  14           HB2      ASN  14  -0.902   0.198   4.143
  113    HB3  ASN  14           HB1      ASN  14  -1.522   0.251   5.790
  114   HD21  ASN  14          HD21      ASN  14   1.546  -2.202   4.779
  115   HD22  ASN  14          HD22      ASN  14   0.636  -1.343   3.587
  116    H    LYS  15           HN       LYS  15  -3.711  -1.132   2.352
  117    HA   LYS  15           HA       LYS  15  -5.397   1.129   3.200
  118    HB2  LYS  15           HB2      LYS  15  -4.602   0.282   0.408
  119    HB3  LYS  15           HB1      LYS  15  -5.657   1.634   0.797
  120    HG2  LYS  15           HG1      LYS  15  -3.817   2.728   1.981
  121    HG3  LYS  15           HG2      LYS  15  -2.759   1.375   1.574
  122    HD2  LYS  15           HD1      LYS  15  -3.080   1.844  -0.809
  123    HD3  LYS  15           HD2      LYS  15  -4.131   3.202  -0.399
  124    HE2  LYS  15           HE1      LYS  15  -2.270   4.286   0.765
  125    HE3  LYS  15           HE2      LYS  15  -1.222   2.931   0.349
  126    HZ1  LYS  15           HZ1      LYS  15  -0.903   4.778  -1.164
  127    HZ2  LYS  15           HZ2      LYS  15  -2.540   4.757  -1.586
  128    HZ3  LYS  15           HZ3      LYS  15  -1.547   3.450  -1.992
  129    H    HIS  16           HN       HIS  16  -7.601   1.055   2.880
  130    HA   HIS  16           HA       HIS  16  -8.682  -1.606   2.235
  131    HB2  HIS  16           HB2      HIS  16 -10.640  -0.963   3.585
  132    HB3  HIS  16           HB1      HIS  16  -9.151  -0.884   4.521
  133    HD1  HIS  16           HD1      HIS  16 -11.969   1.174   3.315
  134    HD2  HIS  16           HD2      HIS  16  -8.277   1.769   5.129
  135    HE1  HIS  16           HE1      HIS  16 -12.009   3.542   4.161
  136    HE2  HIS  16           HE2      HIS  16  -9.765   3.881   5.256
  137    H    SER  17           HN       SER  17  -8.388   1.510   1.052
  138    HA   SER  17           HA       SER  17 -10.927   1.530  -0.368
  139    HB2  SER  17           HB1      SER  17 -10.056   3.644   0.543
  140    HB3  SER  17           HB2      SER  17  -8.614   3.484  -0.459
  141    HG   SER  17           HG       SER  17 -11.017   3.320  -1.809
  142    H    THR  18           HN       THR  18  -8.284  -0.195  -0.793
  143    HA   THR  18           HA       THR  18  -7.381   0.283  -3.397
  144    HB   THR  18           HB       THR  18  -7.586  -2.416  -2.044
  145    HG1  THR  18           HG1      THR  18  -5.206  -0.972  -2.008
  146   HG21  THR  18          HG21      THR  18  -5.736  -1.387  -4.200
  147   HG22  THR  18          HG22      THR  18  -7.039  -2.555  -4.419
  148   HG23  THR  18          HG23      THR  18  -5.636  -2.972  -3.435
  149    H    SER  19           HN       SER  19 -10.347  -0.986  -2.257
  150    HA   SER  19           HA       SER  19 -11.143  -2.674  -4.317
  151    HB2  SER  19           HB2      SER  19 -12.801  -0.791  -2.624
  152    HB3  SER  19           HB1      SER  19 -13.471  -2.063  -3.647
  153    HG   SER  19           HG       SER  19 -11.498  -2.713  -1.764
  154    H    ILE  20           HN       ILE  20 -11.215  -2.277  -6.421
  155    HA   ILE  20           HA       ILE  20 -12.610   0.042  -7.427
  156    HB   ILE  20           HB       ILE  20 -10.364   0.963  -7.145
  157   HG12  ILE  20          HG11      ILE  20 -10.966   0.423 -10.062
  158   HG13  ILE  20          HG12      ILE  20 -11.772   1.645  -9.083
  159   HG21  ILE  20          HG21      ILE  20  -9.468  -1.264  -8.971
  160   HG22  ILE  20          HG22      ILE  20  -9.101  -1.119  -7.252
  161   HG23  ILE  20          HG23      ILE  20  -8.463   0.065  -8.393
  162   HD11  ILE  20          HD11      ILE  20  -9.640   2.791  -8.766
  163   HD12  ILE  20          HD12      ILE  20 -10.055   2.635 -10.474
  164   HD13  ILE  20          HD13      ILE  20  -8.842   1.572  -9.761
  165    H    GLY  21           HN       GLY  21 -13.429  -0.266  -9.471
  166    HA2  GLY  21           HA2      GLY  21 -13.139  -1.409 -11.659
  167    HA3  GLY  21           HA1      GLY  21 -12.780  -2.859 -10.735
  168    H    LYS  22           HN       LYS  22 -14.836  -2.448  -8.754
  169    HA   LYS  22           HA       LYS  22 -17.218  -2.939 -10.415
  170    HB2  LYS  22           HB2      LYS  22 -17.962  -4.402  -8.462
  171    HB3  LYS  22           HB1      LYS  22 -16.663  -5.022  -9.471
  172    HG2  LYS  22           HG2      LYS  22 -15.024  -4.306  -7.807
  173    HG3  LYS  22           HG1      LYS  22 -16.328  -3.685  -6.793
  174    HD2  LYS  22           HD1      LYS  22 -15.679  -5.848  -5.974
  175    HD3  LYS  22           HD2      LYS  22 -17.281  -5.975  -6.703
  176    HE2  LYS  22           HE1      LYS  22 -16.282  -6.874  -8.746
  177    HE3  LYS  22           HE2      LYS  22 -14.679  -6.740  -8.023
  178    HZ1  LYS  22           HZ1      LYS  22 -16.892  -8.448  -7.020
  179    HZ2  LYS  22           HZ2      LYS  22 -15.358  -8.318  -6.320
  180    HZ3  LYS  22           HZ3      LYS  22 -15.528  -8.990  -7.863
  Start of MODEL    8
    1    H1   ACE   0           HA1      ACE   0  10.347   0.639 -10.065
    2    H2   ACE   0           HA2      ACE   0   9.278  -0.402  -9.130
    3    H3   ACE   0           HA3      ACE   0  10.756  -1.083  -9.805
    4    H    MET   1           HN       MET   1  10.738   2.115  -8.471
    5    HA   MET   1           HA       MET   1  12.547   1.196  -6.365
    6    HB2  MET   1           HB2      MET   1  11.931   3.990  -7.342
    7    HB3  MET   1           HB1      MET   1  13.125   3.583  -6.119
    8    HG2  MET   1           HG1      MET   1  14.374   2.288  -7.773
    9    HG3  MET   1           HG2      MET   1  13.181   2.712  -8.999
   10    HE1  MET   1           HE1      MET   1  16.316   3.196  -9.358
   11    HE2  MET   1           HE2      MET   1  16.313   4.807 -10.075
   12    HE3  MET   1           HE3      MET   1  15.114   3.615 -10.578
   13    H    ASP   2           HN       ASP   2  11.977   1.115  -4.293
   14    HA   ASP   2           HA       ASP   2   9.864   2.827  -3.263
   15    HB2  ASP   2           HB2      ASP   2   8.660   0.875  -2.248
   16    HB3  ASP   2           HB1      ASP   2   8.541   0.961  -4.003
   17    H    TRP   3           HN       TRP   3  12.796   2.121  -2.965
   18    HA   TRP   3           HA       TRP   3  12.985   2.542  -0.157
   19    HB2  TRP   3           HB2      TRP   3  12.645   0.204   0.131
   20    HB3  TRP   3           HB1      TRP   3  13.654  -0.186  -1.259
   21    HD1  TRP   3           HD1      TRP   3  15.729  -1.437  -0.295
   22    HE1  TRP   3           HE1      TRP   3  17.390  -1.008   1.628
   23    HE3  TRP   3           HE3      TRP   3  13.562   2.660   1.655
   24    HZ2  TRP   3           HZ2      TRP   3  17.719   0.879   3.727
   25    HZ3  TRP   3           HZ3      TRP   3  14.572   3.767   3.630
   26    HH2  TRP   3           HH2      TRP   3  16.619   2.884   4.639
   27    H    GLY   4           HN       GLY   4  14.539   1.374  -3.052
   28    HA2  GLY   4           HA1      GLY   4  16.334   3.148  -3.728
   29    HA3  GLY   4           HA2      GLY   4  17.078   2.545  -2.241
   30    H    THR   5           HN       THR   5  15.604  -0.033  -2.967
   31    HA   THR   5           HA       THR   5  16.445  -1.232  -5.282
   32    HB   THR   5           HB       THR   5  18.765  -0.800  -4.614
   33    HG1  THR   5           HG1      THR   5  18.197  -2.830  -5.656
   34   HG21  THR   5          HG21      THR   5  18.451  -0.686  -2.195
   35   HG22  THR   5          HG22      THR   5  19.711  -1.850  -2.606
   36   HG23  THR   5          HG23      THR   5  18.103  -2.415  -2.148
   37    H    LEU   6           HN       LEU   6  14.349  -1.222  -3.374
   38    HA   LEU   6           HA       LEU   6  14.281  -4.057  -2.551
   39    HB2  LEU   6           HB1      LEU   6  14.480  -2.196  -0.754
   40    HB3  LEU   6           HB2      LEU   6  12.798  -1.877  -1.117
   41    HG   LEU   6           HG       LEU   6  13.147  -4.681  -0.605
   42   HD11  LEU   6          HD21      LEU   6  15.121  -4.078   0.657
   43   HD12  LEU   6          HD22      LEU   6  13.817  -4.495   1.769
   44   HD13  LEU   6          HD23      LEU   6  14.234  -2.802   1.493
   45   HD21  LEU   6          HD11      LEU   6  11.050  -3.506  -0.392
   46   HD22  LEU   6          HD12      LEU   6  11.735  -2.437   0.834
   47   HD23  LEU   6          HD13      LEU   6  11.514  -4.153   1.182
   48    H    GLN   7           HN       GLN   7  11.766  -4.398  -1.835
   49    HA   GLN   7           HA       GLN   7   9.990  -3.154  -3.742
   50    HB2  GLN   7           HB2      GLN   7  10.706  -6.065  -3.801
   51    HB3  GLN   7           HB1      GLN   7   9.110  -5.539  -4.318
   52    HG2  GLN   7           HG2      GLN   7  11.601  -4.332  -5.462
   53    HG3  GLN   7           HG1      GLN   7  10.928  -5.835  -6.090
   54   HE21  GLN   7          HE21      GLN   7   8.252  -2.785  -6.358
   55   HE22  GLN   7          HE22      GLN   7   8.923  -3.255  -4.841
   56    H    THR   8           HN       THR   8  10.286  -5.645  -1.212
   57    HA   THR   8           HA       THR   8   7.553  -5.534  -0.490
   58    HB   THR   8           HB       THR   8   8.710  -7.475   0.233
   59    HG1  THR   8           HG1      THR   8   7.379  -6.039   1.900
   60   HG21  THR   8          HG21      THR   8  10.981  -6.535   0.214
   61   HG22  THR   8          HG22      THR   8  10.663  -7.437   1.694
   62   HG23  THR   8          HG23      THR   8  10.631  -5.674   1.713
   63    H    ILE   9           HN       ILE   9   6.990  -3.437  -0.376
   64    HA   ILE   9           HA       ILE   9   7.579  -2.098   2.116
   65    HB   ILE   9           HB       ILE   9   8.606  -1.312  -0.506
   66   HG12  ILE   9          HG12      ILE   9  10.011  -1.891   1.433
   67   HG13  ILE   9          HG11      ILE   9  10.355  -0.277   0.821
   68   HG21  ILE   9          HG21      ILE   9   7.310   0.749   1.273
   69   HG22  ILE   9          HG22      ILE   9   6.931   0.384  -0.412
   70   HG23  ILE   9          HG23      ILE   9   8.473   1.132   0.003
   71   HD11  ILE   9          HD11      ILE   9  10.348  -0.342   3.255
   72   HD12  ILE   9          HD12      ILE   9   8.681  -0.917   3.240
   73   HD13  ILE   9          HD13      ILE   9   9.063   0.696   2.638
   74    H    LEU  10           HN       LEU  10   5.886  -2.159  -0.940
   75    HA   LEU  10           HA       LEU  10   3.486  -1.133   0.384
   76    HB2  LEU  10           HB1      LEU  10   5.031   0.357  -1.436
   77    HB3  LEU  10           HB2      LEU  10   3.627  -0.176  -2.332
   78    HG   LEU  10           HG       LEU  10   3.361   2.069  -1.297
   79   HD11  LEU  10          HD11      LEU  10   1.135   1.667  -0.380
   80   HD12  LEU  10          HD12      LEU  10   1.494  -0.055  -0.253
   81   HD13  LEU  10          HD13      LEU  10   1.409   0.714  -1.838
   82   HD21  LEU  10          HD21      LEU  10   4.659   1.637   0.740
   83   HD22  LEU  10          HD22      LEU  10   3.397   0.540   1.298
   84   HD23  LEU  10          HD23      LEU  10   3.048   2.257   1.098
   85    H    GLY  11           HN       GLY  11   2.060  -0.999  -2.134
   86    HA2  GLY  11           HA2      GLY  11   1.771  -2.715  -3.947
   87    HA3  GLY  11           HA1      GLY  11   1.805  -3.891  -2.643
   88    H    ARG  12           HN       ARG  12   0.348  -1.022  -1.720
   89    HA   ARG  12           HA       ARG  12  -1.771  -0.471  -1.126
   90    HB2  ARG  12           HB1      ARG  12  -2.412  -1.854  -3.738
   91    HB3  ARG  12           HB2      ARG  12  -3.514  -0.809  -2.852
   92    HG2  ARG  12           HG1      ARG  12  -1.974   1.067  -3.150
   93    HG3  ARG  12           HG2      ARG  12  -0.878   0.017  -4.051
   94    HD2  ARG  12           HD2      ARG  12  -3.711   0.702  -4.826
   95    HD3  ARG  12           HD1      ARG  12  -2.251   1.372  -5.551
   96    HE   ARG  12           HE       ARG  12  -2.180  -1.436  -5.723
   97   HH11  ARG  12          HH11      ARG  12  -4.185   0.532  -8.577
   98   HH12  ARG  12          HH12      ARG  12  -3.852   1.311  -7.066
   99   HH21  ARG  12          HH21      ARG  12  -3.480  -1.616  -8.942
  100   HH22  ARG  12          HH22      ARG  12  -2.613  -2.468  -7.709
  101    H    VAL  13           HN       VAL  13  -0.666  -3.184  -0.419
  102    HA   VAL  13           HA       VAL  13  -3.191  -4.636  -0.012
  103    HB   VAL  13           HB       VAL  13  -1.481  -5.961  -1.120
  104   HG11  VAL  13          HG21      VAL  13   0.626  -6.520   0.002
  105   HG12  VAL  13          HG22      VAL  13   0.221  -5.408   1.308
  106   HG13  VAL  13          HG23      VAL  13   0.496  -4.791  -0.321
  107   HG21  VAL  13          HG11      VAL  13  -1.879  -6.823   1.743
  108   HG22  VAL  13          HG12      VAL  13  -1.405  -7.871   0.406
  109   HG23  VAL  13          HG13      VAL  13  -2.995  -7.108   0.407
  110    H    ASN  14           HN       ASN  14  -0.417  -3.249   1.637
  111    HA   ASN  14           HA       ASN  14  -1.593  -3.969   4.230
  112    HB2  ASN  14           HB2      ASN  14   1.178  -2.953   3.570
  113    HB3  ASN  14           HB1      ASN  14   0.607  -3.375   5.181
  114   HD21  ASN  14          HD21      ASN  14  -0.947  -5.646   4.212
  115   HD22  ASN  14          HD22      ASN  14   0.199  -6.887   3.849
  116    H    LYS  15           HN       LYS  15  -2.891  -2.476   5.057
  117    HA   LYS  15           HA       LYS  15  -1.983   0.222   5.413
  118    HB2  LYS  15           HB1      LYS  15  -2.851   0.367   3.123
  119    HB3  LYS  15           HB2      LYS  15  -4.396  -0.277   3.662
  120    HG2  LYS  15           HG1      LYS  15  -4.719   1.690   5.080
  121    HG3  LYS  15           HG2      LYS  15  -3.173   2.337   4.525
  122    HD2  LYS  15           HD1      LYS  15  -5.508   1.699   2.723
  123    HD3  LYS  15           HD2      LYS  15  -5.138   3.306   3.352
  124    HE2  LYS  15           HE2      LYS  15  -2.952   3.228   2.243
  125    HE3  LYS  15           HE1      LYS  15  -3.341   1.633   1.600
  126    HZ1  LYS  15           HZ1      LYS  15  -4.819   4.140   1.006
  127    HZ2  LYS  15           HZ2      LYS  15  -5.188   2.609   0.389
  128    HZ3  LYS  15           HZ3      LYS  15  -3.735   3.362  -0.035
  129    H    HIS  16           HN       HIS  16  -2.570   0.711   7.411
  130    HA   HIS  16           HA       HIS  16  -4.994  -0.528   8.520
  131    HB2  HIS  16           HB1      HIS  16  -2.903  -1.035   9.714
  132    HB3  HIS  16           HB2      HIS  16  -2.624   0.687   9.956
  133    HD1  HIS  16           HD1      HIS  16  -3.709   1.760  11.950
  134    HD2  HIS  16           HD2      HIS  16  -5.155  -2.064  11.203
  135    HE1  HIS  16           HE1      HIS  16  -5.150   1.187  13.930
  136    HE2  HIS  16           HE2      HIS  16  -6.016  -1.131  13.457
  137    H    SER  17           HN       SER  17  -6.628   0.681   9.326
  138    HA   SER  17           HA       SER  17  -8.021   2.475   9.488
  139    HB2  SER  17           HB2      SER  17  -7.188   4.328  10.844
  140    HB3  SER  17           HB1      SER  17  -6.610   2.796  11.497
  141    HG   SER  17           HG       SER  17  -4.603   3.212  10.723
  142    H    THR  18           HN       THR  18  -7.556   5.236   9.284
  143    HA   THR  18           HA       THR  18  -7.515   6.914   7.746
  144    HB   THR  18           HB       THR  18  -5.488   5.340   6.165
  145    HG1  THR  18           HG1      THR  18  -5.092   6.821   8.569
  146   HG21  THR  18          HG21      THR  18  -5.881   8.291   6.682
  147   HG22  THR  18          HG22      THR  18  -6.229   7.437   5.178
  148   HG23  THR  18          HG23      THR  18  -4.565   7.591   5.740
  149    H    SER  19           HN       SER  19  -8.935   4.167   7.297
  150    HA   SER  19           HA       SER  19  -9.397   4.260   4.430
  151    HB2  SER  19           HB2      SER  19 -10.426   2.432   6.608
  152    HB3  SER  19           HB1      SER  19 -10.894   2.290   4.913
  153    HG   SER  19           HG       SER  19  -8.284   2.411   4.922
  154    H    ILE  20           HN       ILE  20 -10.281   6.377   6.418
  155    HA   ILE  20           HA       ILE  20 -13.115   6.428   5.609
  156    HB   ILE  20           HB       ILE  20 -13.611   7.707   7.664
  157   HG12  ILE  20          HG12      ILE  20 -10.810   6.927   8.505
  158   HG13  ILE  20          HG11      ILE  20 -11.295   8.551   8.029
  159   HG21  ILE  20          HG21      ILE  20 -12.371   5.000   8.144
  160   HG22  ILE  20          HG22      ILE  20 -14.014   5.305   7.582
  161   HG23  ILE  20          HG23      ILE  20 -13.529   5.805   9.202
  162   HD11  ILE  20          HD11      ILE  20 -11.189   8.342  10.439
  163   HD12  ILE  20          HD12      ILE  20 -12.350   7.014  10.391
  164   HD13  ILE  20          HD13      ILE  20 -12.844   8.639   9.912
  165    H    GLY  21           HN       GLY  21 -13.999   8.468   5.093
  166    HA2  GLY  21           HA1      GLY  21 -13.689  10.901   4.995
  167    HA3  GLY  21           HA2      GLY  21 -11.994  10.594   4.655
  168    H    LYS  22           HN       LYS  22 -12.223   8.584   2.749
  169    HA   LYS  22           HA       LYS  22 -12.395   8.313   0.499
  170    HB2  LYS  22           HB1      LYS  22 -15.029   9.739   0.914
  171    HB3  LYS  22           HB2      LYS  22 -14.576   8.842  -0.529
  172    HG2  LYS  22           HG1      LYS  22 -14.440   6.789   0.782
  173    HG3  LYS  22           HG2      LYS  22 -14.882   7.686   2.236
  174    HD2  LYS  22           HD2      LYS  22 -17.027   8.280   1.218
  175    HD3  LYS  22           HD1      LYS  22 -16.586   7.384  -0.238
  176    HE2  LYS  22           HE1      LYS  22 -16.907   6.223   2.528
  177    HE3  LYS  22           HE2      LYS  22 -18.062   6.075   1.203
  178    HZ1  LYS  22           HZ1      LYS  22 -16.400   4.873  -0.068
  179    HZ2  LYS  22           HZ2      LYS  22 -16.692   4.100   1.407
  180    HZ3  LYS  22           HZ3      LYS  22 -15.287   5.019   1.199
  Start of MODEL    9
    1    H1   ACE   0           HA1      ACE   0   6.206  -0.704  -8.748
    2    H2   ACE   0           HA2      ACE   0   6.046  -1.457  -7.162
    3    H3   ACE   0           HA3      ACE   0   7.599  -1.535  -7.991
    4    H    MET   1           HN       MET   1   9.028   0.060  -7.742
    5    HA   MET   1           HA       MET   1  10.038   1.895  -6.865
    6    HB2  MET   1           HB1      MET   1   8.562   3.086  -8.415
    7    HB3  MET   1           HB2      MET   1   7.288   3.105  -7.203
    8    HG2  MET   1           HG1      MET   1   8.398   5.253  -7.332
    9    HG3  MET   1           HG2      MET   1   8.666   4.502  -5.761
   10    HE1  MET   1           HE1      MET   1  10.647   6.217  -5.277
   11    HE2  MET   1           HE2      MET   1  10.366   6.968  -6.848
   12    HE3  MET   1           HE3      MET   1  11.997   6.481  -6.381
   13    H    ASP   2           HN       ASP   2  10.576   1.242  -4.834
   14    HA   ASP   2           HA       ASP   2   9.228   2.488  -2.651
   15    HB2  ASP   2           HB2      ASP   2   8.651   0.439  -1.410
   16    HB3  ASP   2           HB1      ASP   2   7.732   0.569  -2.907
   17    H    TRP   3           HN       TRP   3  10.351   2.129  -0.595
   18    HA   TRP   3           HA       TRP   3  12.225   1.986   0.691
   19    HB2  TRP   3           HB2      TRP   3  12.413  -0.339   0.400
   20    HB3  TRP   3           HB1      TRP   3  12.812  -0.186  -1.309
   21    HD1  TRP   3           HD1      TRP   3  15.283  -0.823  -1.709
   22    HE1  TRP   3           HE1      TRP   3  17.497  -0.538  -0.424
   23    HE3  TRP   3           HE3      TRP   3  13.493   1.547   2.368
   24    HZ2  TRP   3           HZ2      TRP   3  18.360   0.575   2.037
   25    HZ3  TRP   3           HZ3      TRP   3  15.045   2.213   4.176
   26    HH2  TRP   3           HH2      TRP   3  17.437   1.733   4.004
   27    H    GLY   4           HN       GLY   4  13.654   1.300  -2.421
   28    HA2  GLY   4           HA1      GLY   4  14.616   3.758  -3.184
   29    HA3  GLY   4           HA2      GLY   4  15.800   3.105  -2.046
   30    H    THR   5           HN       THR   5  14.933   0.376  -2.870
   31    HA   THR   5           HA       THR   5  15.419  -0.091  -5.600
   32    HB   THR   5           HB       THR   5  17.715   0.596  -5.065
   33    HG1  THR   5           HG1      THR   5  17.409  -1.128  -6.564
   34   HG21  THR   5          HG21      THR   5  17.725   0.069  -2.680
   35   HG22  THR   5          HG22      THR   5  19.078  -0.712  -3.499
   36   HG23  THR   5          HG23      THR   5  17.656  -1.654  -3.051
   37    H    LEU   6           HN       LEU   6  13.804  -0.847  -3.220
   38    HA   LEU   6           HA       LEU   6  14.243  -3.767  -3.186
   39    HB2  LEU   6           HB1      LEU   6  14.285  -2.278  -1.027
   40    HB3  LEU   6           HB2      LEU   6  12.542  -2.309  -1.192
   41    HG   LEU   6           HG       LEU   6  13.392  -4.989  -1.381
   42   HD11  LEU   6          HD21      LEU   6  14.619  -5.267   0.735
   43   HD12  LEU   6          HD22      LEU   6  14.753  -3.513   0.871
   44   HD13  LEU   6          HD23      LEU   6  15.545  -4.358  -0.460
   45   HD21  LEU   6          HD11      LEU   6  12.153  -3.417   0.874
   46   HD22  LEU   6          HD12      LEU   6  12.204  -5.178   0.779
   47   HD23  LEU   6          HD13      LEU   6  11.301  -4.257  -0.424
   48    H    GLN   7           HN       GLN   7  11.796  -4.545  -2.196
   49    HA   GLN   7           HA       GLN   7   9.765  -3.414  -3.917
   50    HB2  GLN   7           HB2      GLN   7  10.278  -5.059  -5.427
   51    HB3  GLN   7           HB1      GLN   7  10.963  -6.114  -4.202
   52    HG2  GLN   7           HG1      GLN   7   9.041  -7.190  -5.032
   53    HG3  GLN   7           HG2      GLN   7   8.637  -6.577  -3.429
   54   HE21  GLN   7          HE21      GLN   7   7.117  -4.968  -3.218
   55   HE22  GLN   7          HE22      GLN   7   6.116  -4.440  -4.521
   56    H    THR   8           HN       THR   8  10.276  -6.213  -1.736
   57    HA   THR   8           HA       THR   8   7.663  -6.138  -0.703
   58    HB   THR   8           HB       THR   8   8.841  -8.166  -0.358
   59    HG1  THR   8           HG1      THR   8   7.706  -6.966   1.600
   60   HG21  THR   8          HG21      THR   8  10.928  -8.326   0.916
   61   HG22  THR   8          HG22      THR   8  10.946  -6.574   1.110
   62   HG23  THR   8          HG23      THR   8  11.119  -7.285  -0.494
   63    H    ILE   9           HN       ILE   9   7.115  -4.103  -0.217
   64    HA   ILE   9           HA       ILE   9   7.957  -3.112   2.353
   65    HB   ILE   9           HB       ILE   9   8.789  -1.964  -0.213
   66   HG12  ILE   9          HG12      ILE   9  10.364  -2.884   1.426
   67   HG13  ILE   9          HG11      ILE   9  10.690  -1.185   1.097
   68   HG21  ILE   9          HG21      ILE   9   7.779  -0.185   2.001
   69   HG22  ILE   9          HG22      ILE   9   7.205  -0.262   0.334
   70   HG23  ILE   9          HG23      ILE   9   8.816   0.362   0.683
   71   HD11  ILE   9          HD11      ILE   9  10.926  -1.686   3.458
   72   HD12  ILE   9          HD12      ILE   9   9.265  -2.276   3.514
   73   HD13  ILE   9          HD13      ILE   9   9.584  -0.573   3.186
   74    H    LEU  10           HN       LEU  10   6.056  -2.713  -0.545
   75    HA   LEU  10           HA       LEU  10   3.839  -1.687   1.074
   76    HB2  LEU  10           HB1      LEU  10   5.252  -0.215  -0.813
   77    HB3  LEU  10           HB2      LEU  10   3.784  -0.695  -1.640
   78    HG   LEU  10           HG       LEU  10   3.566   1.511  -0.586
   79   HD11  LEU  10          HD11      LEU  10   1.464   1.103   0.585
   80   HD12  LEU  10          HD12      LEU  10   1.858  -0.612   0.703
   81   HD13  LEU  10          HD13      LEU  10   1.582   0.123  -0.877
   82   HD21  LEU  10          HD21      LEU  10   3.497   1.698   1.852
   83   HD22  LEU  10          HD22      LEU  10   5.086   1.183   1.283
   84   HD23  LEU  10          HD23      LEU  10   3.979   0.008   1.993
   85    H    GLY  11           HN       GLY  11   4.116  -2.276  -2.349
   86    HA2  GLY  11           HA2      GLY  11   3.015  -3.701  -3.768
   87    HA3  GLY  11           HA1      GLY  11   2.882  -4.809  -2.409
   88    H    ARG  12           HN       ARG  12   1.602  -1.649  -2.022
   89    HA   ARG  12           HA       ARG  12  -0.500  -0.855  -1.704
   90    HB2  ARG  12           HB1      ARG  12  -1.213  -2.862  -3.852
   91    HB3  ARG  12           HB2      ARG  12  -2.210  -1.507  -3.339
   92    HG2  ARG  12           HG2      ARG  12  -0.520   0.056  -4.133
   93    HG3  ARG  12           HG1      ARG  12   0.507  -1.294  -4.622
   94    HD2  ARG  12           HD1      ARG  12  -1.249  -2.043  -6.172
   95    HD3  ARG  12           HD2      ARG  12  -2.232  -0.656  -5.708
   96    HE   ARG  12           HE       ARG  12   0.196   0.358  -6.550
   97   HH11  ARG  12          HH11      ARG  12  -2.406  -1.515  -7.914
   98   HH12  ARG  12          HH12      ARG  12  -2.164  -0.920  -9.523
   99   HH21  ARG  12          HH21      ARG  12   0.523   1.146  -8.665
  100   HH22  ARG  12          HH22      ARG  12  -0.498   0.593  -9.950
  101    H    VAL  13           HN       VAL  13   0.456  -3.353  -0.295
  102    HA   VAL  13           HA       VAL  13  -2.053  -4.716   0.288
  103    HB   VAL  13           HB       VAL  13   0.692  -5.222   1.442
  104   HG11  VAL  13          HG11      VAL  13  -1.097  -6.051   2.863
  105   HG12  VAL  13          HG12      VAL  13  -0.249  -7.395   2.098
  106   HG13  VAL  13          HG13      VAL  13  -1.825  -6.885   1.491
  107   HG21  VAL  13          HG21      VAL  13   0.701  -5.575  -0.960
  108   HG22  VAL  13          HG22      VAL  13  -0.735  -6.592  -0.835
  109   HG23  VAL  13          HG23      VAL  13   0.787  -7.121  -0.114
  110    H    ASN  14           HN       ASN  14  -3.289  -3.291   1.449
  111    HA   ASN  14           HA       ASN  14  -4.053  -2.103   3.230
  112    HB2  ASN  14           HB1      ASN  14  -2.011  -3.769   4.718
  113    HB3  ASN  14           HB2      ASN  14  -3.321  -2.857   5.463
  114   HD21  ASN  14          HD21      ASN  14  -5.438  -3.576   5.239
  115   HD22  ASN  14          HD22      ASN  14  -5.810  -5.186   4.735
  116    H    LYS  15           HN       LYS  15  -2.952  -1.009   5.451
  117    HA   LYS  15           HA       LYS  15  -1.824   0.819   6.186
  118    HB2  LYS  15           HB1      LYS  15   0.108  -0.687   5.991
  119    HB3  LYS  15           HB2      LYS  15   0.325  -0.197   4.317
  120    HG2  LYS  15           HG1      LYS  15   0.799   2.084   5.037
  121    HG3  LYS  15           HG2      LYS  15   0.563   1.604   6.720
  122    HD2  LYS  15           HD2      LYS  15   2.430   0.031   6.531
  123    HD3  LYS  15           HD1      LYS  15   2.665   0.511   4.850
  124    HE2  LYS  15           HE1      LYS  15   2.915   2.314   7.254
  125    HE3  LYS  15           HE2      LYS  15   4.253   1.630   6.334
  126    HZ1  LYS  15           HZ1      LYS  15   2.206   3.503   5.274
  127    HZ2  LYS  15           HZ2      LYS  15   3.490   2.845   4.389
  128    HZ3  LYS  15           HZ3      LYS  15   3.802   3.904   5.671
  129    H    HIS  16           HN       HIS  16  -3.117   2.430   5.388
  130    HA   HIS  16           HA       HIS  16  -3.730   4.240   4.157
  131    HB2  HIS  16           HB2      HIS  16  -0.850   4.104   3.241
  132    HB3  HIS  16           HB1      HIS  16  -1.921   5.484   3.024
  133    HD1  HIS  16           HD1      HIS  16   0.354   3.914   5.439
  134    HD2  HIS  16           HD2      HIS  16  -2.629   6.807   5.488
  135    HE1  HIS  16           HE1      HIS  16   0.644   5.141   7.616
  136    HE2  HIS  16           HE2      HIS  16  -1.172   6.889   7.623
  137    H    SER  17           HN       SER  17  -3.328   5.188   1.708
  138    HA   SER  17           HA       SER  17  -3.338   3.084  -0.271
  139    HB2  SER  17           HB1      SER  17  -5.848   4.696   0.257
  140    HB3  SER  17           HB2      SER  17  -5.607   3.606  -1.108
  141    HG   SER  17           HG       SER  17  -6.307   3.038   1.451
  142    H    THR  18           HN       THR  18  -2.309   5.932   0.607
  143    HA   THR  18           HA       THR  18  -2.915   7.748  -1.432
  144    HB   THR  18           HB       THR  18  -0.282   7.527   0.042
  145    HG1  THR  18           HG1      THR  18  -2.791   8.625   0.767
  146   HG21  THR  18          HG21      THR  18  -1.656   9.872  -1.279
  147   HG22  THR  18          HG22      THR  18  -0.203   9.057  -1.856
  148   HG23  THR  18          HG23      THR  18  -0.165   9.956  -0.340
  149    H    SER  19           HN       SER  19  -1.022   4.898  -1.474
  150    HA   SER  19           HA       SER  19   0.881   5.401  -3.422
  151    HB2  SER  19           HB1      SER  19   0.859   3.314  -2.185
  152    HB3  SER  19           HB2      SER  19  -0.691   2.866  -2.898
  153    HG   SER  19           HG       SER  19   1.859   2.754  -3.967
  154    H    ILE  20           HN       ILE  20   0.570   6.295  -5.347
  155    HA   ILE  20           HA       ILE  20  -1.939   6.055  -6.747
  156    HB   ILE  20           HB       ILE  20  -0.876   7.479  -8.464
  157   HG12  ILE  20          HG12      ILE  20   1.528   7.435  -6.624
  158   HG13  ILE  20          HG11      ILE  20   1.433   6.595  -8.168
  159   HG21  ILE  20          HG21      ILE  20  -0.536   8.464  -5.634
  160   HG22  ILE  20          HG22      ILE  20  -2.029   8.490  -6.573
  161   HG23  ILE  20          HG23      ILE  20  -0.656   9.479  -7.071
  162   HD11  ILE  20          HD11      ILE  20   1.176   8.736  -9.312
  163   HD12  ILE  20          HD12      ILE  20   2.669   8.665  -8.377
  164   HD13  ILE  20          HD13      ILE  20   1.286   9.572  -7.764
  165    H    GLY  21           HN       GLY  21  -2.046   5.405  -9.031
  166    HA2  GLY  21           HA1      GLY  21  -0.141   4.016 -10.453
  167    HA3  GLY  21           HA2      GLY  21  -0.882   2.823  -9.397
  168    H    LYS  22           HN       LYS  22  -3.041   5.278 -10.199
  169    HA   LYS  22           HA       LYS  22  -4.522   3.473 -11.920
  170    HB2  LYS  22           HB1      LYS  22  -5.177   6.162 -10.716
  171    HB3  LYS  22           HB2      LYS  22  -6.254   5.327 -11.825
  172    HG2  LYS  22           HG1      LYS  22  -7.031   4.849  -9.654
  173    HG3  LYS  22           HG2      LYS  22  -6.223   3.387 -10.221
  174    HD2  LYS  22           HD2      LYS  22  -4.232   3.977  -8.947
  175    HD3  LYS  22           HD1      LYS  22  -5.005   5.469  -8.407
  176    HE2  LYS  22           HE1      LYS  22  -6.736   4.159  -7.278
  177    HE3  LYS  22           HE2      LYS  22  -5.962   2.669  -7.817
  178    HZ1  LYS  22           HZ1      LYS  22  -4.000   3.268  -6.541
  179    HZ2  LYS  22           HZ2      LYS  22  -5.363   3.200  -5.541
  180    HZ3  LYS  22           HZ3      LYS  22  -4.742   4.698  -6.023
  Start of MODEL   10
    1    H1   ACE   0           HA1      ACE   0   8.049  -1.902 -10.804
    2    H2   ACE   0           HA2      ACE   0   9.223  -0.702 -11.337
    3    H3   ACE   0           HA3      ACE   0   7.890  -0.191 -10.304
    4    H    MET   1           HN       MET   1  10.644   0.229  -9.763
    5    HA   MET   1           HA       MET   1  11.288  -1.679  -7.651
    6    HB2  MET   1           HB1      MET   1  13.419  -0.431  -7.490
    7    HB3  MET   1           HB2      MET   1  13.111  -1.042  -9.110
    8    HG2  MET   1           HG1      MET   1  12.348   1.175  -9.799
    9    HG3  MET   1           HG2      MET   1  12.673   1.786  -8.178
   10    HE1  MET   1           HE1      MET   1  14.165   3.726  -9.250
   11    HE2  MET   1           HE2      MET   1  13.842   3.086 -10.861
   12    HE3  MET   1           HE3      MET   1  15.500   3.423 -10.361
   13    H    ASP   2           HN       ASP   2  11.915  -0.899  -5.513
   14    HA   ASP   2           HA       ASP   2  10.862   1.692  -4.707
   15    HB2  ASP   2           HB2      ASP   2   9.841  -0.895  -3.514
   16    HB3  ASP   2           HB1      ASP   2   9.476   0.718  -2.911
   17    H    TRP   3           HN       TRP   3  11.386   2.172  -2.407
   18    HA   TRP   3           HA       TRP   3  12.854   2.326  -0.671
   19    HB2  TRP   3           HB2      TRP   3  12.414   0.144   0.071
   20    HB3  TRP   3           HB1      TRP   3  13.140  -0.588  -1.355
   21    HD1  TRP   3           HD1      TRP   3  15.335  -1.790  -0.731
   22    HE1  TRP   3           HE1      TRP   3  17.264  -1.371   0.927
   23    HE3  TRP   3           HE3      TRP   3  13.628   2.474   1.354
   24    HZ2  TRP   3           HZ2      TRP   3  17.959   0.561   2.884
   25    HZ3  TRP   3           HZ3      TRP   3  14.955   3.587   3.121
   26    HH2  TRP   3           HH2      TRP   3  17.084   2.641   3.866
   27    H    GLY   4           HN       GLY   4  14.616   0.042  -2.640
   28    HA2  GLY   4           HA1      GLY   4  16.373   1.723  -3.970
   29    HA3  GLY   4           HA2      GLY   4  17.084   1.367  -2.392
   30    H    THR   5           HN       THR   5  15.686  -1.192  -2.306
   31    HA   THR   5           HA       THR   5  16.490  -2.852  -4.474
   32    HB   THR   5           HB       THR   5  18.699  -2.558  -3.426
   33    HG1  THR   5           HG1      THR   5  17.686  -4.757  -4.128
   34   HG21  THR   5          HG21      THR   5  17.977  -2.043  -1.151
   35   HG22  THR   5          HG22      THR   5  19.113  -3.392  -1.153
   36   HG23  THR   5          HG23      THR   5  17.387  -3.693  -0.953
   37    H    LEU   6           HN       LEU   6  14.281  -2.087  -2.591
   38    HA   LEU   6           HA       LEU   6  13.578  -4.746  -1.520
   39    HB2  LEU   6           HB1      LEU   6  13.801  -2.573  -0.046
   40    HB3  LEU   6           HB2      LEU   6  12.215  -2.209  -0.695
   41    HG   LEU   6           HG       LEU   6  12.117  -4.867   0.279
   42   HD11  LEU   6          HD21      LEU   6  12.713  -4.493   2.644
   43   HD12  LEU   6          HD22      LEU   6  13.407  -2.931   2.201
   44   HD13  LEU   6          HD23      LEU   6  14.115  -4.422   1.575
   45   HD21  LEU   6          HD11      LEU   6  10.258  -3.297   0.196
   46   HD22  LEU   6          HD12      LEU   6  11.050  -2.274   1.394
   47   HD23  LEU   6          HD13      LEU   6  10.495  -3.889   1.840
   48    H    GLN   7           HN       GLN   7  10.885  -4.329  -1.138
   49    HA   GLN   7           HA       GLN   7   9.768  -3.411  -3.642
   50    HB2  GLN   7           HB2      GLN   7   9.894  -5.569  -4.396
   51    HB3  GLN   7           HB1      GLN   7   9.927  -6.244  -2.774
   52    HG2  GLN   7           HG1      GLN   7   7.924  -6.968  -3.774
   53    HG3  GLN   7           HG2      GLN   7   7.494  -5.720  -2.605
   54   HE21  GLN   7          HE21      GLN   7   6.144  -3.528  -4.947
   55   HE22  GLN   7          HE22      GLN   7   6.640  -3.795  -3.316
   56    H    THR   8           HN       THR   8   8.804  -5.220  -0.698
   57    HA   THR   8           HA       THR   8   6.260  -4.039  -0.555
   58    HB   THR   8           HB       THR   8   6.544  -6.025   0.712
   59    HG1  THR   8           HG1      THR   8   5.576  -3.915   1.789
   60   HG21  THR   8          HG21      THR   8   8.976  -5.905   1.003
   61   HG22  THR   8          HG22      THR   8   8.164  -6.262   2.528
   62   HG23  THR   8          HG23      THR   8   8.769  -4.635   2.210
   63    H    ILE   9           HN       ILE   9   6.383  -1.906  -0.864
   64    HA   ILE   9           HA       ILE   9   7.084  -0.296   1.422
   65    HB   ILE   9           HB       ILE   9   8.664  -0.457  -1.043
   66   HG12  ILE   9          HG12      ILE   9   9.534  -1.082   1.163
   67   HG13  ILE   9          HG11      ILE   9  10.477   0.218   0.439
   68   HG21  ILE   9          HG21      ILE   9   9.350   1.931  -0.937
   69   HG22  ILE   9          HG22      ILE   9   8.005   2.225   0.167
   70   HG23  ILE   9          HG23      ILE   9   7.692   1.686  -1.484
   71   HD11  ILE   9          HD11      ILE   9   8.393   0.527   2.587
   72   HD12  ILE   9          HD12      ILE   9   9.322   1.837   1.857
   73   HD13  ILE   9          HD13      ILE   9  10.141   0.597   2.807
   74    H    LEU  10           HN       LEU  10   6.147  -0.297  -1.967
   75    HA   LEU  10           HA       LEU  10   3.924   1.506  -1.344
   76    HB2  LEU  10           HB1      LEU  10   6.243   2.260  -2.786
   77    HB3  LEU  10           HB2      LEU  10   4.931   2.153  -3.935
   78    HG   LEU  10           HG       LEU  10   5.311   4.435  -2.925
   79   HD11  LEU  10          HD11      LEU  10   3.231   3.847  -4.038
   80   HD12  LEU  10          HD12      LEU  10   2.920   4.887  -2.649
   81   HD13  LEU  10          HD13      LEU  10   2.608   3.155  -2.540
   82   HD21  LEU  10          HD21      LEU  10   5.760   3.642  -0.626
   83   HD22  LEU  10          HD22      LEU  10   4.065   3.167  -0.491
   84   HD23  LEU  10          HD23      LEU  10   4.492   4.866  -0.701
   85    H    GLY  11           HN       GLY  11   4.500  -1.399  -2.162
   86    HA2  GLY  11           HA2      GLY  11   3.310  -1.657  -4.741
   87    HA3  GLY  11           HA1      GLY  11   3.612  -2.968  -3.608
   88    H    ARG  12           HN       ARG  12   1.884  -0.286  -2.405
   89    HA   ARG  12           HA       ARG  12  -0.226  -0.020  -1.624
   90    HB2  ARG  12           HB2      ARG  12  -0.712   0.138  -4.036
   91    HB3  ARG  12           HB1      ARG  12  -0.953  -1.602  -4.098
   92    HG2  ARG  12           HG1      ARG  12  -3.086  -0.514  -4.040
   93    HG3  ARG  12           HG2      ARG  12  -2.833  -1.360  -2.511
   94    HD2  ARG  12           HD1      ARG  12  -2.165   0.743  -1.457
   95    HD3  ARG  12           HD2      ARG  12  -2.410   1.589  -2.983
   96    HE   ARG  12           HE       ARG  12  -4.765   0.216  -2.208
   97   HH11  ARG  12          HH11      ARG  12  -4.199   3.952  -0.881
   98   HH12  ARG  12          HH12      ARG  12  -2.854   3.038  -1.478
   99   HH21  ARG  12          HH21      ARG  12  -6.541   1.413  -1.426
  100   HH22  ARG  12          HH22      ARG  12  -6.295   3.029  -0.851
  101    H    VAL  13           HN       VAL  13   0.029  -1.249   0.249
  102    HA   VAL  13           HA       VAL  13  -1.425  -3.795   0.211
  103    HB   VAL  13           HB       VAL  13   0.921  -4.424   0.187
  104   HG11  VAL  13          HG21      VAL  13   1.189  -2.722   2.662
  105   HG12  VAL  13          HG22      VAL  13   1.881  -2.374   1.077
  106   HG13  VAL  13          HG23      VAL  13   2.439  -3.773   1.996
  107   HG21  VAL  13          HG11      VAL  13   0.999  -5.762   2.238
  108   HG22  VAL  13          HG12      VAL  13  -0.599  -5.803   1.493
  109   HG23  VAL  13          HG13      VAL  13  -0.313  -4.798   2.914
  110    H    ASN  14           HN       ASN  14  -2.723  -4.142   1.947
  111    HA   ASN  14           HA       ASN  14  -2.701  -2.083   4.055
  112    HB2  ASN  14           HB1      ASN  14  -5.046  -3.606   2.904
  113    HB3  ASN  14           HB2      ASN  14  -5.142  -2.510   4.277
  114   HD21  ASN  14          HD21      ASN  14  -6.093  -0.107   1.947
  115   HD22  ASN  14          HD22      ASN  14  -6.575  -1.149   3.238
  116    H    LYS  15           HN       LYS  15  -4.121  -3.005   6.005
  117    HA   LYS  15           HA       LYS  15  -4.188  -4.394   7.797
  118    HB2  LYS  15           HB2      LYS  15  -3.805  -6.437   5.615
  119    HB3  LYS  15           HB1      LYS  15  -3.975  -6.893   7.303
  120    HG2  LYS  15           HG1      LYS  15  -6.107  -7.113   6.314
  121    HG3  LYS  15           HG2      LYS  15  -6.161  -5.660   7.314
  122    HD2  LYS  15           HD2      LYS  15  -5.817  -4.275   5.332
  123    HD3  LYS  15           HD1      LYS  15  -5.740  -5.724   4.326
  124    HE2  LYS  15           HE2      LYS  15  -8.111  -4.814   5.954
  125    HE3  LYS  15           HE1      LYS  15  -7.942  -4.676   4.204
  126    HZ1  LYS  15           HZ1      LYS  15  -8.013  -7.219   5.737
  127    HZ2  LYS  15           HZ2      LYS  15  -7.852  -7.086   4.059
  128    HZ3  LYS  15           HZ3      LYS  15  -9.282  -6.587   4.813
  129    H    HIS  16           HN       HIS  16  -1.821  -6.304   5.985
  130    HA   HIS  16           HA       HIS  16   0.357  -6.819   6.365
  131    HB2  HIS  16           HB1      HIS  16   0.674  -4.357   6.261
  132    HB3  HIS  16           HB2      HIS  16   0.424  -4.275   8.001
  133    HD1  HIS  16           HD1      HIS  16   2.418  -4.678   9.465
  134    HD2  HIS  16           HD2      HIS  16   3.097  -5.753   5.508
  135    HE1  HIS  16           HE1      HIS  16   4.875  -5.194   9.320
  136    HE2  HIS  16           HE2      HIS  16   5.265  -5.843   6.917
  137    H    SER  17           HN       SER  17   1.780  -7.718   7.965
  138    HA   SER  17           HA       SER  17   0.380  -8.975  10.093
  139    HB2  SER  17           HB2      SER  17   3.352  -8.868   9.518
  140    HB3  SER  17           HB1      SER  17   2.574  -9.965  10.658
  141    HG   SER  17           HG       SER  17   1.281 -10.248   8.405
  142    H    THR  18           HN       THR  18   2.247  -9.020  12.168
  143    HA   THR  18           HA       THR  18   2.791  -7.949  14.102
  144    HB   THR  18           HB       THR  18   2.861  -5.342  12.590
  145    HG1  THR  18           HG1      THR  18   4.641  -7.542  12.463
  146   HG21  THR  18          HG21      THR  18   4.736  -4.884  14.129
  147   HG22  THR  18          HG22      THR  18   4.476  -6.453  14.889
  148   HG23  THR  18          HG23      THR  18   3.232  -5.208  14.990
  149    H    SER  19           HN       SER  19  -0.020  -7.859  12.769
  150    HA   SER  19           HA       SER  19  -1.342  -5.593  13.846
  151    HB2  SER  19           HB2      SER  19  -2.207  -6.984  11.955
  152    HB3  SER  19           HB1      SER  19  -2.544  -8.272  13.112
  153    HG   SER  19           HG       SER  19  -3.593  -5.659  13.392
  154    H    ILE  20           HN       ILE  20  -3.008  -5.660  15.530
  155    HA   ILE  20           HA       ILE  20  -2.987  -7.769  17.469
  156    HB   ILE  20           HB       ILE  20  -0.890  -6.695  18.097
  157   HG12  ILE  20          HG12      ILE  20  -1.452  -6.139  20.463
  158   HG13  ILE  20          HG11      ILE  20  -3.158  -6.142  20.024
  159   HG21  ILE  20          HG21      ILE  20  -0.852  -4.376  18.904
  160   HG22  ILE  20          HG22      ILE  20  -2.538  -4.190  18.419
  161   HG23  ILE  20          HG23      ILE  20  -1.297  -4.478  17.200
  162   HD11  ILE  20          HD11      ILE  20  -2.514  -8.224  21.090
  163   HD12  ILE  20          HD12      ILE  20  -1.290  -8.494  19.849
  164   HD13  ILE  20          HD13      ILE  20  -3.000  -8.496  19.417
  165    H    GLY  21           HN       GLY  21  -4.763  -7.695  18.782
  166    HA2  GLY  21           HA1      GLY  21  -6.274  -5.946  19.937
  167    HA3  GLY  21           HA2      GLY  21  -6.616  -5.467  18.282
  168    H    LYS  22           HN       LYS  22  -6.061  -8.805  18.776
  169    HA   LYS  22           HA       LYS  22  -7.392 -10.636  18.582
  170    HB2  LYS  22           HB2      LYS  22  -8.131  -9.911  20.815
  171    HB3  LYS  22           HB1      LYS  22  -9.368  -8.903  20.078
  172    HG2  LYS  22           HG1      LYS  22 -10.442 -10.896  19.155
  173    HG3  LYS  22           HG2      LYS  22  -9.203 -11.906  19.903
  174    HD2  LYS  22           HD1      LYS  22  -9.893 -11.113  22.114
  175    HD3  LYS  22           HD2      LYS  22 -11.134 -10.106  21.365
  176    HE2  LYS  22           HE2      LYS  22 -10.970 -13.114  21.219
  177    HE3  LYS  22           HE1      LYS  22 -12.074 -12.188  22.235
  178    HZ1  LYS  22           HZ1      LYS  22 -13.159 -12.948  20.219
  179    HZ2  LYS  22           HZ2      LYS  22 -12.014 -12.149  19.266
  180    HZ3  LYS  22           HZ3      LYS  22 -13.072 -11.258  20.239
  Start of MODEL   11
    1    H1   ACE   0           HA1      ACE   0   6.866  -4.516 -10.111
    2    H2   ACE   0           HA2      ACE   0   7.388  -5.740  -8.955
    3    H3   ACE   0           HA3      ACE   0   8.277  -5.558 -10.466
    4    H    MET   1           HN       MET   1   7.516  -2.525  -9.755
    5    HA   MET   1           HA       MET   1  10.111  -2.044  -8.505
    6    HB2  MET   1           HB2      MET   1   9.553  -0.812 -10.561
    7    HB3  MET   1           HB1      MET   1   8.154  -0.111  -9.761
    8    HG2  MET   1           HG1      MET   1   9.988   1.466  -9.842
    9    HG3  MET   1           HG2      MET   1   9.617   1.023  -8.177
   10    HE1  MET   1           HE1      MET   1  11.946   2.053  -7.395
   11    HE2  MET   1           HE2      MET   1  12.310   2.489  -9.066
   12    HE3  MET   1           HE3      MET   1  13.497   1.605  -8.107
   13    H    ASP   2           HN       ASP   2  10.265  -1.690  -6.400
   14    HA   ASP   2           HA       ASP   2   8.182  -0.194  -5.013
   15    HB2  ASP   2           HB2      ASP   2   9.108  -2.923  -4.090
   16    HB3  ASP   2           HB1      ASP   2   8.038  -1.849  -3.194
   17    H    TRP   3           HN       TRP   3   8.882   0.714  -3.009
   18    HA   TRP   3           HA       TRP   3  10.364   1.712  -1.591
   19    HB2  TRP   3           HB2      TRP   3  11.254  -0.317  -0.818
   20    HB3  TRP   3           HB1      TRP   3  11.974  -0.704  -2.377
   21    HD1  TRP   3           HD1      TRP   3  14.534  -0.535  -2.254
   22    HE1  TRP   3           HE1      TRP   3  16.241   0.956  -1.028
   23    HE3  TRP   3           HE3      TRP   3  11.299   2.412   0.243
   24    HZ2  TRP   3           HZ2      TRP   3  16.189   3.137   0.787
   25    HZ3  TRP   3           HZ3      TRP   3  12.160   4.199   1.720
   26    HH2  TRP   3           HH2      TRP   3  14.567   4.550   1.979
   27    H    GLY   4           HN       GLY   4  12.585   0.440  -3.963
   28    HA2  GLY   4           HA1      GLY   4  13.012   2.597  -5.605
   29    HA3  GLY   4           HA2      GLY   4  14.037   2.859  -4.190
   30    H    THR   5           HN       THR   5  14.115  -0.104  -3.848
   31    HA   THR   5           HA       THR   5  15.311  -1.392  -6.034
   32    HB   THR   5           HB       THR   5  17.164   0.178  -5.663
   33    HG1  THR   5           HG1      THR   5  17.425  -2.271  -6.024
   34   HG21  THR   5          HG21      THR   5  16.786   0.654  -3.294
   35   HG22  THR   5          HG22      THR   5  18.445   0.124  -3.572
   36   HG23  THR   5          HG23      THR   5  17.269  -0.991  -2.879
   37    H    LEU   6           HN       LEU   6  13.453  -1.687  -3.755
   38    HA   LEU   6           HA       LEU   6  14.631  -4.048  -2.428
   39    HB2  LEU   6           HB1      LEU   6  13.881  -1.875  -1.122
   40    HB3  LEU   6           HB2      LEU   6  12.287  -2.578  -1.296
   41    HG   LEU   6           HG       LEU   6  13.941  -4.634  -0.306
   42   HD11  LEU   6          HD21      LEU   6  14.386  -2.013   1.120
   43   HD12  LEU   6          HD22      LEU   6  15.610  -2.988   0.304
   44   HD13  LEU   6          HD23      LEU   6  14.817  -3.602   1.755
   45   HD21  LEU   6          HD11      LEU   6  11.970  -2.846   1.113
   46   HD22  LEU   6          HD12      LEU   6  12.509  -4.436   1.658
   47   HD23  LEU   6          HD13      LEU   6  11.568  -4.283   0.175
   48    H    GLN   7           HN       GLN   7  12.320  -5.044  -1.307
   49    HA   GLN   7           HA       GLN   7  10.398  -5.392  -3.453
   50    HB2  GLN   7           HB2      GLN   7  11.816  -7.717  -2.135
   51    HB3  GLN   7           HB1      GLN   7  10.453  -7.860  -3.235
   52    HG2  GLN   7           HG1      GLN   7  12.042  -8.167  -4.775
   53    HG3  GLN   7           HG2      GLN   7  12.149  -6.408  -4.747
   54   HE21  GLN   7          HE21      GLN   7  14.988  -6.926  -2.275
   55   HE22  GLN   7          HE22      GLN   7  13.343  -6.462  -2.037
   56    H    THR   8           HN       THR   8  11.221  -6.712  -0.235
   57    HA   THR   8           HA       THR   8   8.431  -6.767   0.508
   58    HB   THR   8           HB       THR   8   9.753  -8.548   1.396
   59    HG1  THR   8           HG1      THR   8   8.507  -6.747   2.974
   60   HG21  THR   8          HG21      THR   8  11.954  -7.478   1.288
   61   HG22  THR   8          HG22      THR   8  11.666  -8.169   2.885
   62   HG23  THR   8          HG23      THR   8  11.517  -6.430   2.638
   63    H    ILE   9           HN       ILE   9   8.609  -4.326  -0.081
   64    HA   ILE   9           HA       ILE   9   9.158  -2.774   2.333
   65    HB   ILE   9           HB       ILE   9  10.590  -1.949   0.708
   66   HG12  ILE   9          HG11      ILE   9   9.700   0.228  -0.015
   67   HG13  ILE   9          HG12      ILE   9   8.074  -0.329   0.381
   68   HG21  ILE   9          HG21      ILE   9   8.354  -2.281  -1.266
   69   HG22  ILE   9          HG22      ILE   9   9.824  -3.246  -1.147
   70   HG23  ILE   9          HG23      ILE   9   9.915  -1.555  -1.637
   71   HD11  ILE   9          HD11      ILE   9   8.693  -0.491   2.730
   72   HD12  ILE   9          HD12      ILE   9   8.973   1.136   2.108
   73   HD13  ILE   9          HD13      ILE   9  10.331   0.034   2.339
   74    H    LEU  10           HN       LEU  10   7.088  -2.963  -0.488
   75    HA   LEU  10           HA       LEU  10   4.936  -2.481  -0.909
   76    HB2  LEU  10           HB1      LEU  10   4.882  -2.951   2.036
   77    HB3  LEU  10           HB2      LEU  10   3.430  -2.578   1.136
   78    HG   LEU  10           HG       LEU  10   5.060  -4.802   0.083
   79   HD11  LEU  10          HD21      LEU  10   4.134  -6.384   1.733
   80   HD12  LEU  10          HD22      LEU  10   3.555  -5.014   2.682
   81   HD13  LEU  10          HD23      LEU  10   5.286  -5.248   2.434
   82   HD21  LEU  10          HD11      LEU  10   2.851  -5.790  -0.258
   83   HD22  LEU  10          HD12      LEU  10   2.947  -4.166  -0.939
   84   HD23  LEU  10          HD13      LEU  10   2.112  -4.432   0.592
   85    H    GLY  11           HN       GLY  11   3.577  -0.719  -1.096
   86    HA2  GLY  11           HA2      GLY  11   4.701   1.725  -0.000
   87    HA3  GLY  11           HA1      GLY  11   3.502   1.628  -1.285
   88    H    ARG  12           HN       ARG  12   3.318  -0.012   1.819
   89    HA   ARG  12           HA       ARG  12   1.815   0.075   3.517
   90    HB2  ARG  12           HB1      ARG  12   1.691   2.994   2.738
   91    HB3  ARG  12           HB2      ARG  12   1.008   2.319   4.211
   92    HG2  ARG  12           HG1      ARG  12   3.926   2.242   3.472
   93    HG3  ARG  12           HG2      ARG  12   3.184   3.414   4.563
   94    HD2  ARG  12           HD2      ARG  12   3.257   0.425   4.954
   95    HD3  ARG  12           HD1      ARG  12   4.255   1.604   5.804
   96    HE   ARG  12           HE       ARG  12   1.636   2.354   6.245
   97   HH11  ARG  12          HH11      ARG  12   3.630  -0.430   6.888
   98   HH12  ARG  12          HH12      ARG  12   2.764  -0.879   8.320
   99   HH21  ARG  12          HH21      ARG  12   0.981   0.372   9.025
  100   HH22  ARG  12          HH22      ARG  12   0.492   1.771   8.128
  101    H    VAL  13           HN       VAL  13   0.948  -0.319   0.657
  102    HA   VAL  13           HA       VAL  13  -1.645   0.782   0.345
  103    HB   VAL  13           HB       VAL  13  -1.961  -0.887  -1.421
  104   HG11  VAL  13          HG11      VAL  13  -0.086  -0.225  -2.854
  105   HG12  VAL  13          HG12      VAL  13   0.785   0.362  -1.436
  106   HG13  VAL  13          HG13      VAL  13  -0.717   1.142  -1.934
  107   HG21  VAL  13          HG21      VAL  13   0.660  -2.022  -0.454
  108   HG22  VAL  13          HG22      VAL  13  -0.178  -2.501  -1.931
  109   HG23  VAL  13          HG23      VAL  13  -0.918  -2.802  -0.359
  110    H    ASN  14           HN       ASN  14  -3.499  -0.971  -0.099
  111    HA   ASN  14           HA       ASN  14  -4.250  -1.923   2.465
  112    HB2  ASN  14           HB2      ASN  14  -5.445  -2.311  -0.279
  113    HB3  ASN  14           HB1      ASN  14  -6.171  -2.979   1.178
  114   HD21  ASN  14          HD21      ASN  14  -5.912   1.073   1.345
  115   HD22  ASN  14          HD22      ASN  14  -4.511   0.093   1.108
  116    H    LYS  15           HN       LYS  15  -5.123  -4.243   2.695
  117    HA   LYS  15           HA       LYS  15  -2.896  -6.021   2.298
  118    HB2  LYS  15           HB2      LYS  15  -5.618  -6.527   3.514
  119    HB3  LYS  15           HB1      LYS  15  -4.256  -7.637   3.573
  120    HG2  LYS  15           HG2      LYS  15  -4.288  -4.877   4.776
  121    HG3  LYS  15           HG1      LYS  15  -4.559  -6.378   5.661
  122    HD2  LYS  15           HD2      LYS  15  -2.318  -7.147   5.046
  123    HD3  LYS  15           HD1      LYS  15  -2.047  -5.646   4.158
  124    HE2  LYS  15           HE2      LYS  15  -1.001  -5.563   6.357
  125    HE3  LYS  15           HE1      LYS  15  -2.294  -4.372   6.225
  126    HZ1  LYS  15           HZ1      LYS  15  -3.754  -5.879   7.427
  127    HZ2  LYS  15           HZ2      LYS  15  -2.378  -5.519   8.341
  128    HZ3  LYS  15           HZ3      LYS  15  -2.507  -7.015   7.561
  129    H    HIS  16           HN       HIS  16  -6.368  -6.433   1.586
  130    HA   HIS  16           HA       HIS  16  -5.602  -8.075  -0.732
  131    HB2  HIS  16           HB2      HIS  16  -8.196  -8.038   0.825
  132    HB3  HIS  16           HB1      HIS  16  -7.853  -9.073  -0.557
  133    HD1  HIS  16           HD1      HIS  16  -6.614 -11.220  -0.117
  134    HD2  HIS  16           HD2      HIS  16  -6.673  -8.690   3.179
  135    HE1  HIS  16           HE1      HIS  16  -5.692 -12.577   1.789
  136    HE2  HIS  16           HE2      HIS  16  -5.736 -11.026   3.774
  137    H    SER  17           HN       SER  17  -6.070  -7.388  -2.721
  138    HA   SER  17           HA       SER  17  -8.135  -5.327  -3.064
  139    HB2  SER  17           HB2      SER  17  -5.369  -5.256  -4.300
  140    HB3  SER  17           HB1      SER  17  -6.676  -4.129  -4.662
  141    HG   SER  17           HG       SER  17  -5.809  -3.044  -3.075
  142    H    THR  18           HN       THR  18  -7.545  -8.332  -3.673
  143    HA   THR  18           HA       THR  18  -7.798  -8.443  -6.546
  144    HB   THR  18           HB       THR  18  -8.307 -10.747  -4.670
  145    HG1  THR  18           HG1      THR  18  -5.817  -9.640  -5.497
  146   HG21  THR  18          HG21      THR  18  -7.157 -10.569  -7.458
  147   HG22  THR  18          HG22      THR  18  -8.778 -11.122  -7.036
  148   HG23  THR  18          HG23      THR  18  -7.368 -12.054  -6.531
  149    H    SER  19           HN       SER  19  -9.806  -6.929  -5.162
  150    HA   SER  19           HA       SER  19 -12.221  -8.486  -5.073
  151    HB2  SER  19           HB1      SER  19 -13.300  -6.462  -4.410
  152    HB3  SER  19           HB2      SER  19 -11.716  -6.454  -3.633
  153    HG   SER  19           HG       SER  19 -12.648  -4.922  -5.792
  154    H    ILE  20           HN       ILE  20 -10.561  -8.053  -7.617
  155    HA   ILE  20           HA       ILE  20 -12.688  -6.948  -9.322
  156    HB   ILE  20           HB       ILE  20 -10.965  -6.789 -11.087
  157   HG12  ILE  20          HG12      ILE  20  -9.032  -7.570  -8.891
  158   HG13  ILE  20          HG11      ILE  20  -9.511  -8.616 -10.223
  159   HG21  ILE  20          HG21      ILE  20  -9.749  -4.899 -10.114
  160   HG22  ILE  20          HG22      ILE  20 -10.251  -5.408  -8.502
  161   HG23  ILE  20          HG23      ILE  20 -11.456  -4.868  -9.672
  162   HD11  ILE  20          HD11      ILE  20  -8.531  -7.041 -11.809
  163   HD12  ILE  20          HD12      ILE  20  -7.346  -7.614 -10.635
  164   HD13  ILE  20          HD13      ILE  20  -8.043  -6.002 -10.470
  165    H    GLY  21           HN       GLY  21 -12.697  -8.009 -11.585
  166    HA2  GLY  21           HA1      GLY  21 -11.966 -10.382 -12.447
  167    HA3  GLY  21           HA2      GLY  21 -13.032 -10.884 -11.143
  168    H    LYS  22           HN       LYS  22 -14.435  -8.156 -12.050
  169    HA   LYS  22           HA       LYS  22 -16.336  -9.542 -13.763
  170    HB2  LYS  22           HB1      LYS  22 -16.448  -6.789 -12.516
  171    HB3  LYS  22           HB2      LYS  22 -17.755  -7.550 -13.413
  172    HG2  LYS  22           HG1      LYS  22 -17.881  -9.319 -11.732
  173    HG3  LYS  22           HG2      LYS  22 -16.569  -8.555 -10.833
  174    HD2  LYS  22           HD2      LYS  22 -17.943  -6.552 -10.532
  175    HD3  LYS  22           HD1      LYS  22 -19.254  -7.315 -11.432
  176    HE2  LYS  22           HE1      LYS  22 -19.634  -7.475  -9.030
  177    HE3  LYS  22           HE2      LYS  22 -19.403  -9.070  -9.744
  178    HZ1  LYS  22           HZ1      LYS  22 -18.188  -8.848  -7.671
  179    HZ2  LYS  22           HZ2      LYS  22 -17.338  -7.518  -8.279
  180    HZ3  LYS  22           HZ3      LYS  22 -17.115  -9.047  -8.964
  Start of MODEL   12
    1    H1   ACE   0           HA1      ACE   0   8.473  -2.010 -10.677
    2    H2   ACE   0           HA2      ACE   0   7.262  -0.864 -10.109
    3    H3   ACE   0           HA3      ACE   0   7.365  -2.445  -9.340
    4    H    MET   1           HN       MET   1   8.085   0.705  -8.921
    5    HA   MET   1           HA       MET   1  10.611   0.255  -7.520
    6    HB2  MET   1           HB1      MET   1   9.084   2.810  -8.053
    7    HB3  MET   1           HB2      MET   1  10.654   2.713  -7.268
    8    HG2  MET   1           HG2      MET   1  11.621   1.782  -9.304
    9    HG3  MET   1           HG1      MET   1  10.047   1.868 -10.092
   10    HE1  MET   1           HE1      MET   1  11.647   4.476  -7.611
   11    HE2  MET   1           HE2      MET   1  12.449   5.569  -8.739
   12    HE3  MET   1           HE3      MET   1  13.023   3.912  -8.559
   13    H    ASP   2           HN       ASP   2  10.748   0.045  -5.381
   14    HA   ASP   2           HA       ASP   2   8.677   1.138  -3.650
   15    HB2  ASP   2           HB2      ASP   2   9.386  -1.804  -3.659
   16    HB3  ASP   2           HB1      ASP   2   8.367  -1.010  -2.463
   17    H    TRP   3           HN       TRP   3   9.315   1.219  -1.410
   18    HA   TRP   3           HA       TRP   3  10.786   1.593   0.292
   19    HB2  TRP   3           HB2      TRP   3  11.439  -0.683   0.298
   20    HB3  TRP   3           HB1      TRP   3  12.288  -0.529  -1.235
   21    HD1  TRP   3           HD1      TRP   3  14.822  -0.796  -0.797
   22    HE1  TRP   3           HE1      TRP   3  16.477   0.031   1.000
   23    HE3  TRP   3           HE3      TRP   3  11.550   1.597   2.190
   24    HZ2  TRP   3           HZ2      TRP   3  16.374   1.533   3.408
   25    HZ3  TRP   3           HZ3      TRP   3  12.357   2.726   4.242
   26    HH2  TRP   3           HH2      TRP   3  14.731   2.690   4.831
   27    H    GLY   4           HN       GLY   4  13.147   0.958  -2.189
   28    HA2  GLY   4           HA1      GLY   4  13.755   3.572  -2.972
   29    HA3  GLY   4           HA2      GLY   4  14.784   3.137  -1.603
   30    H    THR   5           HN       THR   5  14.729   0.344  -2.257
   31    HA   THR   5           HA       THR   5  15.804  -0.077  -4.885
   32    HB   THR   5           HB       THR   5  17.662  -0.672  -2.578
   33    HG1  THR   5           HG1      THR   5  17.708   1.612  -4.288
   34   HG21  THR   5          HG21      THR   5  18.080  -0.452  -5.562
   35   HG22  THR   5          HG22      THR   5  18.040  -1.942  -4.621
   36   HG23  THR   5          HG23      THR   5  19.345  -0.782  -4.378
   37    H    LEU   6           HN       LEU   6  13.744  -0.924  -2.866
   38    HA   LEU   6           HA       LEU   6  14.324  -3.811  -2.704
   39    HB2  LEU   6           HB1      LEU   6  13.719  -2.164  -0.676
   40    HB3  LEU   6           HB2      LEU   6  12.093  -2.582  -1.163
   41    HG   LEU   6           HG       LEU   6  13.480  -5.020  -0.974
   42   HD11  LEU   6          HD21      LEU   6  15.272  -3.930   0.227
   43   HD12  LEU   6          HD22      LEU   6  14.336  -4.924   1.343
   44   HD13  LEU   6          HD23      LEU   6  14.116  -3.172   1.323
   45   HD21  LEU   6          HD11      LEU   6  11.138  -4.653  -0.419
   46   HD22  LEU   6          HD12      LEU   6  11.608  -3.659   0.959
   47   HD23  LEU   6          HD13      LEU   6  11.988  -5.382   0.943
   48    H    GLN   7           HN       GLN   7  11.593  -4.486  -2.130
   49    HA   GLN   7           HA       GLN   7  10.034  -3.571  -4.372
   50    HB2  GLN   7           HB1      GLN   7   9.647  -5.788  -5.322
   51    HB3  GLN   7           HB2      GLN   7  11.350  -5.367  -5.390
   52    HG2  GLN   7           HG2      GLN   7  10.100  -7.166  -3.330
   53    HG3  GLN   7           HG1      GLN   7  10.954  -7.710  -4.770
   54   HE21  GLN   7          HE21      GLN   7  11.270  -6.187  -1.649
   55   HE22  GLN   7          HE22      GLN   7  12.980  -6.384  -1.510
   56    H    THR   8           HN       THR   8  10.083  -6.236  -1.977
   57    HA   THR   8           HA       THR   8   7.255  -5.903  -1.522
   58    HB   THR   8           HB       THR   8   7.958  -8.163  -1.380
   59    HG1  THR   8           HG1      THR   8   6.751  -7.055   0.578
   60   HG21  THR   8          HG21      THR   8  10.354  -7.763  -1.062
   61   HG22  THR   8          HG22      THR   8   9.745  -8.942   0.099
   62   HG23  THR   8          HG23      THR   8  10.055  -7.283   0.609
   63    H    ILE   9           HN       ILE   9   7.026  -3.879  -0.736
   64    HA   ILE   9           HA       ILE   9   7.441  -3.502   2.039
   65    HB   ILE   9           HB       ILE   9   9.462  -2.687   0.201
   66   HG12  ILE   9          HG12      ILE   9   9.745  -3.809   2.364
   67   HG13  ILE   9          HG11      ILE   9  10.752  -2.369   2.215
   68   HG21  ILE   9          HG21      ILE   9   8.391  -0.565   0.002
   69   HG22  ILE   9          HG22      ILE   9   9.808  -0.375   1.033
   70   HG23  ILE   9          HG23      ILE   9   8.199  -0.436   1.751
   71   HD11  ILE   9          HD11      ILE   9   9.166  -1.125   3.595
   72   HD12  ILE   9          HD12      ILE   9   9.782  -2.548   4.436
   73   HD13  ILE   9          HD13      ILE   9   8.162  -2.568   3.739
   74    H    LEU  10           HN       LEU  10   6.538  -2.259  -1.068
   75    HA   LEU  10           HA       LEU  10   4.445  -0.644   0.197
   76    HB2  LEU  10           HB1      LEU  10   6.714   0.386  -1.136
   77    HB3  LEU  10           HB2      LEU  10   5.341   0.656  -2.184
   78    HG   LEU  10           HG       LEU  10   5.892   2.555  -0.622
   79   HD11  LEU  10          HD11      LEU  10   3.716   2.358  -1.693
   80   HD12  LEU  10          HD12      LEU  10   3.555   2.999  -0.060
   81   HD13  LEU  10          HD13      LEU  10   3.155   1.314  -0.387
   82   HD21  LEU  10          HD21      LEU  10   5.248   2.390   1.691
   83   HD22  LEU  10          HD22      LEU  10   6.443   1.142   1.334
   84   HD23  LEU  10          HD23      LEU  10   4.735   0.717   1.466
   85    H    GLY  11           HN       GLY  11   4.660  -3.248  -1.314
   86    HA2  GLY  11           HA2      GLY  11   3.424  -2.767  -3.841
   87    HA3  GLY  11           HA1      GLY  11   3.590  -4.332  -3.052
   88    H    ARG  12           HN       ARG  12   2.154  -1.761  -1.281
   89    HA   ARG  12           HA       ARG  12   0.082  -1.399  -0.453
   90    HB2  ARG  12           HB2      ARG  12  -0.457  -0.913  -2.801
   91    HB3  ARG  12           HB1      ARG  12  -0.813  -2.612  -3.075
   92    HG2  ARG  12           HG1      ARG  12  -2.664  -2.490  -1.493
   93    HG3  ARG  12           HG2      ARG  12  -2.301  -0.788  -1.197
   94    HD2  ARG  12           HD2      ARG  12  -4.145  -1.015  -2.767
   95    HD3  ARG  12           HD1      ARG  12  -2.744  -0.284  -3.548
   96    HE   ARG  12           HE       ARG  12  -2.662  -3.054  -3.964
   97   HH11  ARG  12          HH11      ARG  12  -5.022  -0.941  -6.414
   98   HH12  ARG  12          HH12      ARG  12  -4.544  -0.271  -4.890
   99   HH21  ARG  12          HH21      ARG  12  -4.308  -3.029  -7.027
  100   HH22  ARG  12          HH22      ARG  12  -3.287  -3.944  -5.968
  101    H    VAL  13           HN       VAL  13   0.018  -2.725   1.292
  102    HA   VAL  13           HA       VAL  13  -1.161  -5.398   0.885
  103    HB   VAL  13           HB       VAL  13   0.698  -4.575   3.120
  104   HG11  VAL  13          HG11      VAL  13  -0.448  -7.264   2.375
  105   HG12  VAL  13          HG12      VAL  13  -0.885  -6.297   3.783
  106   HG13  VAL  13          HG13      VAL  13   0.739  -6.970   3.646
  107   HG21  VAL  13          HG21      VAL  13   1.894  -4.672   1.006
  108   HG22  VAL  13          HG22      VAL  13   1.237  -6.277   0.690
  109   HG23  VAL  13          HG23      VAL  13   2.349  -6.030   2.036
  110    H    ASN  14           HN       ASN  14  -1.009  -2.538   2.943
  111    HA   ASN  14           HA       ASN  14  -3.746  -3.014   3.791
  112    HB2  ASN  14           HB1      ASN  14  -2.369  -4.176   5.492
  113    HB3  ASN  14           HB2      ASN  14  -1.523  -2.666   5.814
  114   HD21  ASN  14          HD21      ASN  14  -5.225  -3.357   7.319
  115   HD22  ASN  14          HD22      ASN  14  -4.514  -4.403   6.142
  116    H    LYS  15           HN       LYS  15  -1.293  -1.010   2.827
  117    HA   LYS  15           HA       LYS  15  -1.078   1.233   2.545
  118    HB2  LYS  15           HB2      LYS  15  -4.026   1.240   3.218
  119    HB3  LYS  15           HB1      LYS  15  -3.142   2.591   2.525
  120    HG2  LYS  15           HG2      LYS  15  -2.666   1.274   0.531
  121    HG3  LYS  15           HG1      LYS  15  -3.529  -0.099   1.228
  122    HD2  LYS  15           HD1      LYS  15  -4.989   1.024  -0.315
  123    HD3  LYS  15           HD2      LYS  15  -5.576   1.305   1.325
  124    HE2  LYS  15           HE1      LYS  15  -4.517   3.507   1.332
  125    HE3  LYS  15           HE2      LYS  15  -3.918   3.227  -0.303
  126    HZ1  LYS  15           HZ1      LYS  15  -6.205   3.086  -1.076
  127    HZ2  LYS  15           HZ2      LYS  15  -5.916   4.573  -0.324
  128    HZ3  LYS  15           HZ3      LYS  15  -6.776   3.366   0.492
  129    H    HIS  16           HN       HIS  16   0.279   1.851   4.143
  130    HA   HIS  16           HA       HIS  16  -0.834   2.426   6.794
  131    HB2  HIS  16           HB2      HIS  16   2.046   2.277   5.876
  132    HB3  HIS  16           HB1      HIS  16   1.516   2.556   7.532
  133    HD1  HIS  16           HD1      HIS  16   0.966   0.535   8.925
  134    HD2  HIS  16           HD2      HIS  16   1.484  -0.377   4.904
  135    HE1  HIS  16           HE1      HIS  16   0.984  -1.977   8.802
  136    HE2  HIS  16           HE2      HIS  16   1.298  -2.508   6.359
  137    H    SER  17           HN       SER  17  -0.076   4.410   7.892
  138    HA   SER  17           HA       SER  17   0.844   6.597   6.260
  139    HB2  SER  17           HB1      SER  17  -1.140   8.020   6.625
  140    HB3  SER  17           HB2      SER  17  -1.535   6.590   5.670
  141    HG   SER  17           HG       SER  17  -3.017   7.115   7.433
  142    H    THR  18           HN       THR  18   0.870   4.998   9.035
  143    HA   THR  18           HA       THR  18   0.614   6.879  11.083
  144    HB   THR  18           HB       THR  18   2.582   4.582  10.997
  145    HG1  THR  18           HG1      THR  18   0.337   4.006  10.584
  146   HG21  THR  18          HG21      THR  18   2.988   6.128  12.841
  147   HG22  THR  18          HG22      THR  18   2.329   4.608  13.444
  148   HG23  THR  18          HG23      THR  18   1.293   6.029  13.315
  149    H    SER  19           HN       SER  19   3.022   6.502   8.662
  150    HA   SER  19           HA       SER  19   5.252   7.662   9.874
  151    HB2  SER  19           HB1      SER  19   5.439   6.551   7.732
  152    HB3  SER  19           HB2      SER  19   4.351   7.722   6.985
  153    HG   SER  19           HG       SER  19   6.373   8.407   6.490
  154    H    ILE  20           HN       ILE  20   6.119   9.797   9.693
  155    HA   ILE  20           HA       ILE  20   4.048  11.880   9.439
  156    HB   ILE  20           HB       ILE  20   5.333  13.209  11.077
  157   HG12  ILE  20          HG12      ILE  20   6.931  10.669  11.483
  158   HG13  ILE  20          HG11      ILE  20   7.529  12.107  10.661
  159   HG21  ILE  20          HG21      ILE  20   3.435  11.865  11.805
  160   HG22  ILE  20          HG22      ILE  20   4.677  11.928  13.055
  161   HG23  ILE  20          HG23      ILE  20   4.500  10.482  12.061
  162   HD11  ILE  20          HD11      ILE  20   7.274  13.388  12.722
  163   HD12  ILE  20          HD12      ILE  20   8.342  12.002  12.938
  164   HD13  ILE  20          HD13      ILE  20   6.686  11.943  13.543
  165    H    GLY  21           HN       GLY  21   5.028  14.100   9.020
  166    HA2  GLY  21           HA1      GLY  21   6.705  15.436   7.999
  167    HA3  GLY  21           HA2      GLY  21   7.460  13.972   7.386
  168    H    LYS  22           HN       LYS  22   4.044  14.252   7.067
  169    HA   LYS  22           HA       LYS  22   4.325  15.128   4.274
  170    HB2  LYS  22           HB2      LYS  22   2.658  12.798   5.239
  171    HB3  LYS  22           HB1      LYS  22   2.665  13.429   3.599
  172    HG2  LYS  22           HG1      LYS  22   5.031  12.838   3.385
  173    HG3  LYS  22           HG2      LYS  22   5.009  12.188   5.026
  174    HD2  LYS  22           HD1      LYS  22   3.267  11.203   2.768
  175    HD3  LYS  22           HD2      LYS  22   4.783  10.449   3.268
  176    HE2  LYS  22           HE1      LYS  22   2.324  10.799   4.979
  177    HE3  LYS  22           HE2      LYS  22   2.864   9.294   4.236
  178    HZ1  LYS  22           HZ1      LYS  22   4.359  10.845   6.281
  179    HZ2  LYS  22           HZ2      LYS  22   4.878   9.402   5.567
  180    HZ3  LYS  22           HZ3      LYS  22   3.507   9.409   6.558
  Start of MODEL   13
    1    H1   ACE   0           HA1      ACE   0   9.002   0.105 -10.758
    2    H2   ACE   0           HA2      ACE   0   8.170   1.273  -9.735
    3    H3   ACE   0           HA3      ACE   0   8.303  -0.397  -9.189
    4    H    MET   1           HN       MET   1   9.213   2.140  -7.960
    5    HA   MET   1           HA       MET   1  11.955   1.270  -7.433
    6    HB2  MET   1           HB1      MET   1  12.125   3.066  -9.105
    7    HB3  MET   1           HB2      MET   1  11.198   4.130  -8.056
    8    HG2  MET   1           HG1      MET   1  12.966   4.025  -6.379
    9    HG3  MET   1           HG2      MET   1  13.894   2.951  -7.424
   10    HE1  MET   1           HE1      MET   1  16.001   4.552  -7.248
   11    HE2  MET   1           HE2      MET   1  15.092   5.627  -6.186
   12    HE3  MET   1           HE3      MET   1  15.945   6.283  -7.583
   13    H    ASP   2           HN       ASP   2  12.198   1.007  -5.324
   14    HA   ASP   2           HA       ASP   2  11.078   2.933  -3.457
   15    HB2  ASP   2           HB1      ASP   2  10.374  -0.007  -3.338
   16    HB3  ASP   2           HB2      ASP   2  10.031   1.161  -2.066
   17    H    TRP   3           HN       TRP   3  11.879   2.555  -1.223
   18    HA   TRP   3           HA       TRP   3  13.567   2.209   0.270
   19    HB2  TRP   3           HB2      TRP   3  13.303  -0.127   0.166
   20    HB3  TRP   3           HB1      TRP   3  13.894  -0.210  -1.490
   21    HD1  TRP   3           HD1      TRP   3  16.187  -1.396  -1.542
   22    HE1  TRP   3           HE1      TRP   3  18.276  -1.439  -0.033
   23    HE3  TRP   3           HE3      TRP   3  14.562   1.705   2.090
   24    HZ2  TRP   3           HZ2      TRP   3  19.115  -0.274   2.415
   25    HZ3  TRP   3           HZ3      TRP   3  16.037   2.224   4.006
   26    HH2  TRP   3           HH2      TRP   3  18.276   1.247   4.157
   27    H    GLY   4           HN       GLY   4  15.186   0.923  -2.537
   28    HA2  GLY   4           HA1      GLY   4  16.661   3.158  -3.327
   29    HA3  GLY   4           HA2      GLY   4  17.593   2.271  -2.116
   30    H    THR   5           HN       THR   5  16.411  -0.244  -2.816
   31    HA   THR   5           HA       THR   5  16.932  -0.855  -5.569
   32    HB   THR   5           HB       THR   5  18.706  -2.233  -3.547
   33    HG1  THR   5           HG1      THR   5  19.174   0.088  -3.767
   34   HG21  THR   5          HG21      THR   5  18.789  -2.017  -6.560
   35   HG22  THR   5          HG22      THR   5  18.330  -3.440  -5.625
   36   HG23  THR   5          HG23      THR   5  19.988  -2.844  -5.568
   37    H    LEU   6           HN       LEU   6  14.986  -1.050  -3.250
   38    HA   LEU   6           HA       LEU   6  14.491  -3.955  -3.233
   39    HB2  LEU   6           HB1      LEU   6  14.760  -2.504  -1.080
   40    HB3  LEU   6           HB2      LEU   6  13.134  -1.960  -1.448
   41    HG   LEU   6           HG       LEU   6  13.133  -4.805  -1.524
   42   HD11  LEU   6          HD21      LEU   6  14.429  -3.627   0.934
   43   HD12  LEU   6          HD22      LEU   6  15.161  -4.766  -0.198
   44   HD13  LEU   6          HD23      LEU   6  13.800  -5.271   0.805
   45   HD21  LEU   6          HD11      LEU   6  11.211  -3.437  -1.010
   46   HD22  LEU   6          HD12      LEU   6  12.016  -2.786   0.419
   47   HD23  LEU   6          HD13      LEU   6  11.561  -4.490   0.361
   48    H    GLN   7           HN       GLN   7  11.932  -4.211  -2.757
   49    HA   GLN   7           HA       GLN   7  10.356  -2.392  -4.338
   50    HB2  GLN   7           HB2      GLN   7  11.043  -5.147  -5.263
   51    HB3  GLN   7           HB1      GLN   7   9.439  -4.516  -5.612
   52    HG2  GLN   7           HG2      GLN   7  12.014  -3.155  -6.356
   53    HG3  GLN   7           HG1      GLN   7  11.059  -4.167  -7.439
   54   HE21  GLN   7          HE21      GLN   7   9.899  -0.368  -6.555
   55   HE22  GLN   7          HE22      GLN   7  11.149  -1.159  -5.662
   56    H    THR   8           HN       THR   8  10.596  -5.082  -2.148
   57    HA   THR   8           HA       THR   8   7.745  -5.273  -1.794
   58    HB   THR   8           HB       THR   8   8.193  -6.924  -0.083
   59    HG1  THR   8           HG1      THR   8  10.394  -5.522   0.210
   60   HG21  THR   8          HG21      THR   8   8.397  -7.692  -2.403
   61   HG22  THR   8          HG22      THR   8   9.523  -8.551  -1.351
   62   HG23  THR   8          HG23      THR   8  10.107  -7.259  -2.400
   63    H    ILE   9           HN       ILE   9   8.481  -2.763  -1.506
   64    HA   ILE   9           HA       ILE   9   8.766  -2.070   1.280
   65    HB   ILE   9           HB       ILE   9   8.978  -0.766  -1.324
   66   HG12  ILE   9          HG12      ILE   9  10.927  -1.291   0.061
   67   HG13  ILE   9          HG11      ILE   9  10.805   0.443  -0.212
   68   HG21  ILE   9          HG21      ILE   9   7.143   0.564  -0.535
   69   HG22  ILE   9          HG22      ILE   9   8.618   1.523  -0.420
   70   HG23  ILE   9          HG23      ILE   9   7.923   0.797   1.030
   71   HD11  ILE   9          HD11      ILE   9  11.448  -0.053   2.074
   72   HD12  ILE   9          HD12      ILE   9   9.978  -1.003   2.292
   73   HD13  ILE   9          HD13      ILE   9   9.871   0.736   2.017
   74    H    LEU  10           HN       LEU  10   6.357  -2.114  -1.218
   75    HA   LEU  10           HA       LEU  10   4.228  -1.922   0.716
   76    HB2  LEU  10           HB2      LEU  10   4.406   0.367   0.538
   77    HB3  LEU  10           HB1      LEU  10   4.924   0.305  -1.134
   78    HG   LEU  10           HG       LEU  10   2.236  -0.698  -0.909
   79   HD11  LEU  10          HD11      LEU  10   2.662   2.088   0.149
   80   HD12  LEU  10          HD12      LEU  10   2.188   0.693   1.118
   81   HD13  LEU  10          HD13      LEU  10   1.114   1.294  -0.146
   82   HD21  LEU  10          HD21      LEU  10   3.259   1.820  -2.202
   83   HD22  LEU  10          HD22      LEU  10   1.824   0.888  -2.636
   84   HD23  LEU  10          HD23      LEU  10   3.432   0.213  -2.906
   85    H    GLY  11           HN       GLY  11   2.392  -2.911   0.006
   86    HA2  GLY  11           HA2      GLY  11   2.115  -3.479  -2.857
   87    HA3  GLY  11           HA1      GLY  11   2.192  -4.842  -1.751
   88    H    ARG  12           HN       ARG  12   0.620  -1.773  -1.062
   89    HA   ARG  12           HA       ARG  12  -1.527  -1.244  -0.534
   90    HB2  ARG  12           HB1      ARG  12  -2.024  -3.311  -2.676
   91    HB3  ARG  12           HB2      ARG  12  -3.312  -2.375  -1.935
   92    HG2  ARG  12           HG1      ARG  12  -2.790  -1.293  -3.957
   93    HG3  ARG  12           HG2      ARG  12  -2.079  -0.306  -2.679
   94    HD2  ARG  12           HD2      ARG  12   0.103  -1.300  -3.103
   95    HD3  ARG  12           HD1      ARG  12  -0.596  -2.332  -4.350
   96    HE   ARG  12           HE       ARG  12  -1.162   0.333  -4.988
   97   HH11  ARG  12          HH11      ARG  12   1.569  -1.819  -4.755
   98   HH12  ARG  12          HH12      ARG  12   2.491  -0.988  -5.963
   99   HH21  ARG  12          HH21      ARG  12   1.624   0.861  -7.000
  100   HH22  ARG  12          HH22      ARG  12   0.045   1.433  -6.579
  101    H    VAL  13           HN       VAL  13  -0.118  -3.521   0.839
  102    HA   VAL  13           HA       VAL  13  -1.926  -5.542   1.536
  103    HB   VAL  13           HB       VAL  13   0.250  -4.382   3.279
  104   HG11  VAL  13          HG11      VAL  13   0.278  -6.613   4.309
  105   HG12  VAL  13          HG12      VAL  13  -1.094  -7.082   3.305
  106   HG13  VAL  13          HG13      VAL  13  -1.278  -5.809   4.513
  107   HG21  VAL  13          HG21      VAL  13   1.682  -6.138   2.344
  108   HG22  VAL  13          HG22      VAL  13   1.131  -5.014   1.100
  109   HG23  VAL  13          HG23      VAL  13   0.384  -6.605   1.246
  110    H    ASN  14           HN       ASN  14  -1.029  -2.687   3.485
  111    HA   ASN  14           HA       ASN  14  -3.401  -3.018   5.115
  112    HB2  ASN  14           HB2      ASN  14  -1.276  -2.392   6.175
  113    HB3  ASN  14           HB1      ASN  14  -1.227  -0.918   5.214
  114   HD21  ASN  14          HD21      ASN  14  -2.764  -2.573   7.851
  115   HD22  ASN  14          HD22      ASN  14  -3.560  -1.193   8.519
  116    H    LYS  15           HN       LYS  15  -5.290  -2.135   4.634
  117    HA   LYS  15           HA       LYS  15  -5.413   0.001   2.650
  118    HB2  LYS  15           HB2      LYS  15  -7.615  -1.649   3.905
  119    HB3  LYS  15           HB1      LYS  15  -7.837  -0.467   2.623
  120    HG2  LYS  15           HG1      LYS  15  -6.431  -1.802   1.140
  121    HG3  LYS  15           HG2      LYS  15  -6.200  -2.987   2.427
  122    HD2  LYS  15           HD1      LYS  15  -8.608  -3.422   2.459
  123    HD3  LYS  15           HD2      LYS  15  -8.839  -2.236   1.173
  124    HE2  LYS  15           HE1      LYS  15  -7.216  -4.769   0.973
  125    HE3  LYS  15           HE2      LYS  15  -8.823  -4.516   0.293
  126    HZ1  LYS  15           HZ1      LYS  15  -7.917  -2.776  -1.114
  127    HZ2  LYS  15           HZ2      LYS  15  -7.099  -4.233  -1.374
  128    HZ3  LYS  15           HZ3      LYS  15  -6.375  -3.010  -0.458
  129    H    HIS  16           HN       HIS  16  -4.982  -0.076   5.841
  130    HA   HIS  16           HA       HIS  16  -5.275   1.387   7.554
  131    HB2  HIS  16           HB2      HIS  16  -6.137   3.263   5.343
  132    HB3  HIS  16           HB1      HIS  16  -5.738   3.744   6.988
  133    HD1  HIS  16           HD1      HIS  16  -3.299   4.075   7.544
  134    HD2  HIS  16           HD2      HIS  16  -3.887   2.362   3.804
  135    HE1  HIS  16           HE1      HIS  16  -1.043   4.094   6.434
  136    HE2  HIS  16           HE2      HIS  16  -1.422   3.053   4.171
  137    H    SER  17           HN       SER  17  -6.861   0.623   8.821
  138    HA   SER  17           HA       SER  17  -9.605   1.510   8.226
  139    HB2  SER  17           HB1      SER  17  -9.432  -0.897   7.782
  140    HB3  SER  17           HB2      SER  17  -8.789  -1.159   9.404
  141    HG   SER  17           HG       SER  17 -10.960  -1.581   9.486
  142    H    THR  18           HN       THR  18  -7.052   1.802  10.253
  143    HA   THR  18           HA       THR  18  -8.281   1.686  12.811
  144    HB   THR  18           HB       THR  18  -5.855   1.574  12.600
  145    HG1  THR  18           HG1      THR  18  -6.472   2.373  14.568
  146   HG21  THR  18          HG21      THR  18  -5.566   3.048  10.672
  147   HG22  THR  18          HG22      THR  18  -4.543   3.564  12.012
  148   HG23  THR  18          HG23      THR  18  -6.033   4.437  11.653
  149    H    SER  19           HN       SER  19  -8.817   3.723  10.269
  150    HA   SER  19           HA       SER  19  -8.969   6.274  11.387
  151    HB2  SER  19           HB2      SER  19 -10.608   4.996   9.187
  152    HB3  SER  19           HB1      SER  19 -10.648   6.719   9.570
  153    HG   SER  19           HG       SER  19  -9.095   5.772   7.877
  154    H    ILE  20           HN       ILE  20 -10.271   7.170  12.843
  155    HA   ILE  20           HA       ILE  20 -12.542   5.622  13.837
  156    HB   ILE  20           HB       ILE  20 -10.956   6.422  15.504
  157   HG12  ILE  20          HG11      ILE  20 -13.560   7.956  15.680
  158   HG13  ILE  20          HG12      ILE  20 -13.376   6.249  16.069
  159   HG21  ILE  20          HG21      ILE  20 -11.686   9.189  14.550
  160   HG22  ILE  20          HG22      ILE  20 -10.132   8.386  14.325
  161   HG23  ILE  20          HG23      ILE  20 -10.676   8.814  15.947
  162   HD11  ILE  20          HD11      ILE  20 -12.026   8.536  17.480
  163   HD12  ILE  20          HD12      ILE  20 -11.829   6.827  17.865
  164   HD13  ILE  20          HD13      ILE  20 -13.399   7.602  18.076
  165    H    GLY  21           HN       GLY  21 -14.636   6.351  13.839
  166    HA2  GLY  21           HA2      GLY  21 -15.170   8.987  12.651
  167    HA3  GLY  21           HA1      GLY  21 -15.908   7.562  11.937
  168    H    LYS  22           HN       LYS  22 -15.905   6.613  14.944
  169    HA   LYS  22           HA       LYS  22 -18.465   7.926  15.576
  170    HB2  LYS  22           HB1      LYS  22 -18.897   5.804  16.921
  171    HB3  LYS  22           HB2      LYS  22 -18.931   5.652  15.171
  172    HG2  LYS  22           HG2      LYS  22 -16.647   4.761  15.213
  173    HG3  LYS  22           HG1      LYS  22 -16.644   4.882  16.973
  174    HD2  LYS  22           HD2      LYS  22 -18.601   3.239  15.372
  175    HD3  LYS  22           HD1      LYS  22 -17.147   2.599  16.139
  176    HE2  LYS  22           HE2      LYS  22 -17.988   3.314  18.324
  177    HE3  LYS  22           HE1      LYS  22 -19.444   3.945  17.556
  178    HZ1  LYS  22           HZ1      LYS  22 -18.586   1.101  17.557
  179    HZ2  LYS  22           HZ2      LYS  22 -19.984   1.707  16.823
  180    HZ3  LYS  22           HZ3      LYS  22 -19.823   1.760  18.505
  Start of MODEL   14
    1    H1   ACE   0           HA1      ACE   0   6.422   2.520  -8.636
    2    H2   ACE   0           HA2      ACE   0   6.172   1.035  -9.551
    3    H3   ACE   0           HA3      ACE   0   7.406   2.172 -10.090
    4    H    MET   1           HN       MET   1   9.086   2.689  -8.384
    5    HA   MET   1           HA       MET   1  10.126   0.156  -7.418
    6    HB2  MET   1           HB1      MET   1  12.187   1.436  -6.968
    7    HB3  MET   1           HB2      MET   1  11.641   1.618  -8.629
    8    HG2  MET   1           HG1      MET   1  10.683   3.792  -8.083
    9    HG3  MET   1           HG2      MET   1  11.217   3.610  -6.413
   10    HE1  MET   1           HE1      MET   1  13.140   2.545  -9.684
   11    HE2  MET   1           HE2      MET   1  14.093   3.995 -10.003
   12    HE3  MET   1           HE3      MET   1  12.336   4.046 -10.147
   13    H    ASP   2           HN       ASP   2  11.503   0.535  -5.249
   14    HA   ASP   2           HA       ASP   2   9.974   2.017  -3.267
   15    HB2  ASP   2           HB1      ASP   2  10.349  -0.980  -3.103
   16    HB3  ASP   2           HB2      ASP   2   9.727   0.031  -1.803
   17    H    TRP   3           HN       TRP   3  11.066   2.074  -1.157
   18    HA   TRP   3           HA       TRP   3  12.898   2.392   0.162
   19    HB2  TRP   3           HB2      TRP   3  13.433   0.106   0.169
   20    HB3  TRP   3           HB1      TRP   3  13.850   0.102  -1.540
   21    HD1  TRP   3           HD1      TRP   3  16.388  -0.223  -1.844
   22    HE1  TRP   3           HE1      TRP   3  18.511   0.522  -0.587
   23    HE3  TRP   3           HE3      TRP   3  14.191   2.345   1.901
   24    HZ2  TRP   3           HZ2      TRP   3  19.153   2.033   1.727
   25    HZ3  TRP   3           HZ3      TRP   3  15.592   3.433   3.625
   26    HH2  TRP   3           HH2      TRP   3  18.032   3.276   3.530
   27    H    GLY   4           HN       GLY   4  14.565   1.544  -2.783
   28    HA2  GLY   4           HA1      GLY   4  15.148   4.071  -3.792
   29    HA3  GLY   4           HA2      GLY   4  16.419   3.638  -2.643
   30    H    THR   5           HN       THR   5  16.067   0.819  -3.134
   31    HA   THR   5           HA       THR   5  16.533   0.199  -5.883
   32    HB   THR   5           HB       THR   5  18.875  -0.306  -4.041
   33    HG1  THR   5           HG1      THR   5  18.631   1.835  -5.911
   34   HG21  THR   5          HG21      THR   5  20.081  -0.592  -6.171
   35   HG22  THR   5          HG22      THR   5  18.582  -0.288  -7.049
   36   HG23  THR   5          HG23      THR   5  18.731  -1.716  -6.024
   37    H    LEU   6           HN       LEU   6  14.991  -0.471  -3.373
   38    HA   LEU   6           HA       LEU   6  15.576  -3.357  -3.178
   39    HB2  LEU   6           HB1      LEU   6  15.581  -1.730  -1.121
   40    HB3  LEU   6           HB2      LEU   6  13.838  -1.854  -1.253
   41    HG   LEU   6           HG       LEU   6  14.891  -4.496  -1.270
   42   HD11  LEU   6          HD21      LEU   6  15.979  -2.741   0.931
   43   HD12  LEU   6          HD22      LEU   6  16.918  -3.623  -0.276
   44   HD13  LEU   6          HD23      LEU   6  15.994  -4.506   0.938
   45   HD21  LEU   6          HD11      LEU   6  12.680  -3.802  -0.487
   46   HD22  LEU   6          HD12      LEU   6  13.425  -2.929   0.852
   47   HD23  LEU   6          HD13      LEU   6  13.553  -4.688   0.763
   48    H    GLN   7           HN       GLN   7  13.406  -4.490  -2.384
   49    HA   GLN   7           HA       GLN   7  11.039  -3.437  -3.629
   50    HB2  GLN   7           HB2      GLN   7  12.485  -5.823  -4.751
   51    HB3  GLN   7           HB1      GLN   7  10.742  -5.669  -4.917
   52    HG2  GLN   7           HG2      GLN   7  12.852  -3.818  -5.990
   53    HG3  GLN   7           HG1      GLN   7  11.761  -4.855  -6.907
   54   HE21  GLN   7          HE21      GLN   7   9.503  -4.193  -5.120
   55   HE22  GLN   7          HE22      GLN   7   8.998  -2.607  -5.584
   56    H    THR   8           HN       THR   8   9.292  -5.338  -3.567
   57    HA   THR   8           HA       THR   8   7.931  -6.547  -2.223
   58    HB   THR   8           HB       THR   8  10.155  -7.553  -0.520
   59    HG1  THR   8           HG1      THR   8  10.704  -7.328  -2.956
   60   HG21  THR   8          HG21      THR   8   7.895  -8.458  -0.291
   61   HG22  THR   8          HG22      THR   8   9.006  -9.693  -0.882
   62   HG23  THR   8          HG23      THR   8   7.892  -8.905  -1.997
   63    H    ILE   9           HN       ILE   9   9.405  -3.990  -1.436
   64    HA   ILE   9           HA       ILE   9   9.509  -3.593   1.272
   65    HB   ILE   9           HB       ILE   9   8.954  -1.928  -1.098
   66   HG12  ILE   9          HG12      ILE   9  11.255  -2.451  -0.394
   67   HG13  ILE   9          HG11      ILE   9  10.943  -0.720  -0.339
   68   HG21  ILE   9          HG21      ILE   9   7.341  -0.973   0.387
   69   HG22  ILE   9          HG22      ILE   9   8.727   0.116   0.320
   70   HG23  ILE   9          HG23      ILE   9   8.502  -0.939   1.715
   71   HD11  ILE   9          HD11      ILE   9  12.236  -1.442   1.579
   72   HD12  ILE   9          HD12      ILE   9  10.965  -2.581   2.024
   73   HD13  ILE   9          HD13      ILE   9  10.652  -0.847   2.078
   74    H    LEU  10           HN       LEU  10   6.759  -3.163  -0.856
   75    HA   LEU  10           HA       LEU  10   4.935  -3.767   1.338
   76    HB2  LEU  10           HB1      LEU  10   5.091  -1.202  -0.178
   77    HB3  LEU  10           HB2      LEU  10   3.545  -1.752   0.442
   78    HG   LEU  10           HG       LEU  10   5.821  -1.658   2.346
   79   HD11  LEU  10          HD21      LEU  10   6.067   0.413   1.058
   80   HD12  LEU  10          HD22      LEU  10   5.568   0.716   2.723
   81   HD13  LEU  10          HD23      LEU  10   4.389   0.822   1.416
   82   HD21  LEU  10          HD11      LEU  10   4.059  -0.936   3.873
   83   HD22  LEU  10          HD12      LEU  10   3.621  -2.433   3.050
   84   HD23  LEU  10          HD13      LEU  10   2.909  -0.904   2.536
   85    H    GLY  11           HN       GLY  11   2.705  -4.121   0.583
   86    HA2  GLY  11           HA2      GLY  11   2.677  -5.093  -2.208
   87    HA3  GLY  11           HA1      GLY  11   1.841  -5.899  -0.889
   88    H    ARG  12           HN       ARG  12   1.923  -2.425  -1.310
   89    HA   ARG  12           HA       ARG  12   0.293  -0.881  -1.644
   90    HB2  ARG  12           HB1      ARG  12  -0.911  -3.068  -3.351
   91    HB3  ARG  12           HB2      ARG  12  -1.413  -1.383  -3.363
   92    HG2  ARG  12           HG2      ARG  12   0.816  -0.728  -4.136
   93    HG3  ARG  12           HG1      ARG  12   1.304  -2.425  -4.141
   94    HD2  ARG  12           HD1      ARG  12  -0.411  -2.922  -5.803
   95    HD3  ARG  12           HD2      ARG  12  -0.927  -1.236  -5.785
   96    HE   ARG  12           HE       ARG  12   1.820  -1.380  -6.393
   97   HH11  ARG  12          HH11      ARG  12  -0.766  -1.828  -9.416
   98   HH12  ARG  12          HH12      ARG  12  -1.300  -2.068  -7.786
   99   HH21  ARG  12          HH21      ARG  12   2.529  -1.062  -8.536
  100   HH22  ARG  12          HH22      ARG  12   1.409  -1.257  -9.843
  101    H    VAL  13           HN       VAL  13   0.048  -3.018   0.486
  102    HA   VAL  13           HA       VAL  13  -2.689  -3.584   0.897
  103    HB   VAL  13           HB       VAL  13  -2.061  -4.111   3.214
  104   HG11  VAL  13          HG11      VAL  13  -0.437  -5.879   2.713
  105   HG12  VAL  13          HG12      VAL  13  -0.094  -5.116   1.160
  106   HG13  VAL  13          HG13      VAL  13  -1.696  -5.779   1.483
  107   HG21  VAL  13          HG21      VAL  13   0.274  -3.868   3.939
  108   HG22  VAL  13          HG22      VAL  13  -0.485  -2.309   3.618
  109   HG23  VAL  13          HG23      VAL  13   0.636  -3.001   2.446
  110    H    ASN  14           HN       ASN  14  -4.188  -2.646   2.322
  111    HA   ASN  14           HA       ASN  14  -3.563  -0.069   3.513
  112    HB2  ASN  14           HB1      ASN  14  -4.253   0.518   1.230
  113    HB3  ASN  14           HB2      ASN  14  -5.751  -0.380   1.447
  114   HD21  ASN  14          HD21      ASN  14  -5.299   3.348   2.973
  115   HD22  ASN  14          HD22      ASN  14  -3.972   2.478   2.291
  116    H    LYS  15           HN       LYS  15  -5.068   0.600   5.094
  117    HA   LYS  15           HA       LYS  15  -7.095  -1.405   5.824
  118    HB2  LYS  15           HB1      LYS  15  -5.133  -1.679   7.271
  119    HB3  LYS  15           HB2      LYS  15  -5.214   0.021   7.716
  120    HG2  LYS  15           HG1      LYS  15  -6.137  -1.314   9.483
  121    HG3  LYS  15           HG2      LYS  15  -7.429  -0.381   8.724
  122    HD2  LYS  15           HD2      LYS  15  -8.088  -2.348   7.427
  123    HD3  LYS  15           HD1      LYS  15  -6.793  -3.281   8.181
  124    HE2  LYS  15           HE2      LYS  15  -7.825  -2.943  10.372
  125    HE3  LYS  15           HE1      LYS  15  -9.116  -2.005   9.622
  126    HZ1  LYS  15           HZ1      LYS  15  -8.528  -4.867   9.087
  127    HZ2  LYS  15           HZ2      LYS  15  -9.770  -3.966   8.375
  128    HZ3  LYS  15           HZ3      LYS  15  -9.801  -4.282  10.036
  129    H    HIS  16           HN       HIS  16  -5.992   1.793   6.962
  130    HA   HIS  16           HA       HIS  16  -8.794   2.695   6.825
  131    HB2  HIS  16           HB1      HIS  16  -8.203   4.310   8.612
  132    HB3  HIS  16           HB2      HIS  16  -8.005   2.635   9.120
  133    HD1  HIS  16           HD1      HIS  16  -5.662   1.856   9.742
  134    HD2  HIS  16           HD2      HIS  16  -5.777   5.750   8.293
  135    HE1  HIS  16           HE1      HIS  16  -3.389   2.820  10.221
  136    HE2  HIS  16           HE2      HIS  16  -3.480   5.176   9.335
  137    H    SER  17           HN       SER  17  -9.204   4.842   6.140
  138    HA   SER  17           HA       SER  17  -7.003   6.336   4.952
  139    HB2  SER  17           HB2      SER  17  -9.387   5.395   3.338
  140    HB3  SER  17           HB1      SER  17  -8.162   6.533   2.775
  141    HG   SER  17           HG       SER  17  -6.668   4.933   2.760
  142    H    THR  18           HN       THR  18  -9.365   6.433   7.004
  143    HA   THR  18           HA       THR  18 -11.106   8.491   6.244
  144    HB   THR  18           HB       THR  18 -11.563   7.137   8.208
  145    HG1  THR  18           HG1      THR  18 -12.415   9.271   8.188
  146   HG21  THR  18          HG21      THR  18 -10.287   7.431  10.285
  147   HG22  THR  18          HG22      THR  18  -9.165   8.500   9.441
  148   HG23  THR  18          HG23      THR  18  -9.272   6.799   8.987
  149    H    SER  19           HN       SER  19  -7.787   8.563   6.934
  150    HA   SER  19           HA       SER  19  -7.529  11.165   8.009
  151    HB2  SER  19           HB1      SER  19  -5.712   9.574   8.203
  152    HB3  SER  19           HB2      SER  19  -5.574   9.461   6.448
  153    HG   SER  19           HG       SER  19  -4.312  11.126   6.529
  154    H    ILE  20           HN       ILE  20  -7.523  13.118   7.080
  155    HA   ILE  20           HA       ILE  20  -7.733  14.763   5.527
  156    HB   ILE  20           HB       ILE  20  -6.323  12.826   3.686
  157   HG12  ILE  20          HG11      ILE  20  -5.173  15.033   5.410
  158   HG13  ILE  20          HG12      ILE  20  -5.091  13.318   5.796
  159   HG21  ILE  20          HG21      ILE  20  -5.662  14.838   2.447
  160   HG22  ILE  20          HG22      ILE  20  -6.647  15.820   3.532
  161   HG23  ILE  20          HG23      ILE  20  -7.414  14.632   2.478
  162   HD11  ILE  20          HD11      ILE  20  -3.776  12.926   3.780
  163   HD12  ILE  20          HD12      ILE  20  -3.007  14.100   4.847
  164   HD13  ILE  20          HD13      ILE  20  -3.853  14.647   3.399
  165    H    GLY  21           HN       GLY  21  -9.859  15.010   5.132
  166    HA2  GLY  21           HA1      GLY  21 -10.964  13.515   2.845
  167    HA3  GLY  21           HA2      GLY  21 -11.886  13.653   4.334
  168    H    LYS  22           HN       LYS  22  -9.945  16.342   3.425
  169    HA   LYS  22           HA       LYS  22 -10.453  18.475   2.828
  170    HB2  LYS  22           HB1      LYS  22 -12.548  17.084   1.147
  171    HB3  LYS  22           HB2      LYS  22 -12.053  18.762   0.962
  172    HG2  LYS  22           HG1      LYS  22  -9.787  18.032   0.403
  173    HG3  LYS  22           HG2      LYS  22 -10.289  16.350   0.583
  174    HD2  LYS  22           HD2      LYS  22 -11.906  16.636  -1.228
  175    HD3  LYS  22           HD1      LYS  22 -11.415  18.322  -1.405
  176    HE2  LYS  22           HE2      LYS  22 -10.351  16.922  -3.091
  177    HE3  LYS  22           HE1      LYS  22  -9.155  17.608  -1.992
  178    HZ1  LYS  22           HZ1      LYS  22  -9.097  15.505  -0.802
  179    HZ2  LYS  22           HZ2      LYS  22  -8.711  15.278  -2.433
  180    HZ3  LYS  22           HZ3      LYS  22 -10.243  14.846  -1.860
  Start of MODEL   15
    1    H1   ACE   0           HA1      ACE   0   4.455   2.285  -8.104
    2    H2   ACE   0           HA2      ACE   0   3.639   1.799  -6.620
    3    H3   ACE   0           HA3      ACE   0   3.525   0.758  -8.037
    4    H    MET   1           HN       MET   1   6.363   2.436  -6.769
    5    HA   MET   1           HA       MET   1   7.776  -0.116  -6.717
    6    HB2  MET   1           HB1      MET   1   8.800   2.708  -6.370
    7    HB3  MET   1           HB2      MET   1   9.803   1.265  -6.442
    8    HG2  MET   1           HG1      MET   1   9.040   0.844  -8.722
    9    HG3  MET   1           HG2      MET   1   8.033   2.288  -8.650
   10    HE1  MET   1           HE1      MET   1   9.148   3.176 -10.890
   11    HE2  MET   1           HE2      MET   1  10.166   1.738 -10.965
   12    HE3  MET   1           HE3      MET   1  10.889   3.339 -11.120
   13    H    ASP   2           HN       ASP   2   9.644   0.091  -4.854
   14    HA   ASP   2           HA       ASP   2   8.462   0.881  -2.317
   15    HB2  ASP   2           HB1      ASP   2   9.234  -1.983  -2.910
   16    HB3  ASP   2           HB2      ASP   2   8.827  -1.359  -1.315
   17    H    TRP   3           HN       TRP   3   9.981   1.490  -0.852
   18    HA   TRP   3           HA       TRP   3  12.024   2.038   0.009
   19    HB2  TRP   3           HB2      TRP   3  12.342  -0.386   0.201
   20    HB3  TRP   3           HB1      TRP   3  12.893  -0.449  -1.466
   21    HD1  TRP   3           HD1      TRP   3  15.456  -0.711  -1.583
   22    HE1  TRP   3           HE1      TRP   3  17.457   0.107  -0.179
   23    HE3  TRP   3           HE3      TRP   3  12.915   1.865   1.923
   24    HZ2  TRP   3           HZ2      TRP   3  17.879   1.671   2.152
   25    HZ3  TRP   3           HZ3      TRP   3  14.148   3.015   3.735
   26    HH2  TRP   3           HH2      TRP   3  16.589   2.915   3.838
   27    H    GLY   4           HN       GLY   4  14.256   2.741  -0.615
   28    HA2  GLY   4           HA1      GLY   4  14.277   4.449  -2.776
   29    HA3  GLY   4           HA2      GLY   4  15.721   3.792  -2.010
   30    H    THR   5           HN       THR   5  15.038   1.062  -2.604
   31    HA   THR   5           HA       THR   5  14.684   0.622  -5.384
   32    HB   THR   5           HB       THR   5  17.514   0.246  -4.359
   33    HG1  THR   5           HG1      THR   5  17.020   2.447  -4.843
   34   HG21  THR   5          HG21      THR   5  16.842  -1.466  -5.962
   35   HG22  THR   5          HG22      THR   5  18.019  -0.368  -6.684
   36   HG23  THR   5          HG23      THR   5  16.308  -0.218  -7.088
   37    H    LEU   6           HN       LEU   6  13.167  -0.720  -4.159
   38    HA   LEU   6           HA       LEU   6  14.191  -3.400  -3.745
   39    HB2  LEU   6           HB1      LEU   6  14.326  -1.945  -1.576
   40    HB3  LEU   6           HB2      LEU   6  12.595  -2.192  -1.518
   41    HG   LEU   6           HG       LEU   6  13.819  -4.739  -1.845
   42   HD11  LEU   6          HD21      LEU   6  15.889  -3.784  -1.036
   43   HD12  LEU   6          HD22      LEU   6  15.174  -4.780   0.232
   44   HD13  LEU   6          HD23      LEU   6  15.045  -3.020   0.313
   45   HD21  LEU   6          HD11      LEU   6  12.473  -3.371   0.484
   46   HD22  LEU   6          HD12      LEU   6  12.797  -5.103   0.382
   47   HD23  LEU   6          HD13      LEU   6  11.690  -4.344  -0.763
   48    H    GLN   7           HN       GLN   7  12.021  -4.530  -2.510
   49    HA   GLN   7           HA       GLN   7   9.632  -3.607  -3.851
   50    HB2  GLN   7           HB1      GLN   7  10.118  -5.053  -5.555
   51    HB3  GLN   7           HB2      GLN   7  11.134  -6.070  -4.543
   52    HG2  GLN   7           HG1      GLN   7   9.289  -7.382  -5.165
   53    HG3  GLN   7           HG2      GLN   7   9.037  -6.927  -3.479
   54   HE21  GLN   7          HE21      GLN   7   7.342  -5.597  -2.942
   55   HE22  GLN   7          HE22      GLN   7   6.096  -5.158  -4.054
   56    H    THR   8           HN       THR   8  10.866  -6.410  -1.986
   57    HA   THR   8           HA       THR   8   8.447  -6.835  -0.621
   58    HB   THR   8           HB       THR   8   9.975  -8.646  -0.584
   59    HG1  THR   8           HG1      THR   8   8.922  -7.806   1.570
   60   HG21  THR   8          HG21      THR   8  12.218  -8.507   0.406
   61   HG22  THR   8          HG22      THR   8  11.976  -6.785   0.704
   62   HG23  THR   8          HG23      THR   8  12.039  -7.393  -0.951
   63    H    ILE   9           HN       ILE   9   7.643  -4.959   0.094
   64    HA   ILE   9           HA       ILE   9   8.677  -3.975   2.595
   65    HB   ILE   9           HB       ILE   9   8.919  -2.570   0.041
   66   HG12  ILE   9          HG12      ILE   9  10.831  -3.246   1.426
   67   HG13  ILE   9          HG11      ILE   9  10.804  -1.507   1.153
   68   HG21  ILE   9          HG21      ILE   9   7.901  -1.107   2.473
   69   HG22  ILE   9          HG22      ILE   9   7.131  -1.227   0.890
   70   HG23  ILE   9          HG23      ILE   9   8.631  -0.320   1.074
   71   HD11  ILE   9          HD11      ILE   9   9.910  -2.910   3.661
   72   HD12  ILE   9          HD12      ILE   9   9.894  -1.168   3.389
   73   HD13  ILE   9          HD13      ILE   9  11.427  -2.038   3.439
   74    H    LEU  10           HN       LEU  10   6.339  -3.621   0.011
   75    HA   LEU  10           HA       LEU  10   4.148  -3.694   1.864
   76    HB2  LEU  10           HB2      LEU  10   4.448  -1.412   2.117
   77    HB3  LEU  10           HB1      LEU  10   4.949  -1.204   0.450
   78    HG   LEU  10           HG       LEU  10   2.227  -2.143   0.559
   79   HD11  LEU  10          HD11      LEU  10   1.197  -0.239   1.630
   80   HD12  LEU  10          HD12      LEU  10   2.783   0.430   2.022
   81   HD13  LEU  10          HD13      LEU  10   2.251  -1.076   2.771
   82   HD21  LEU  10          HD21      LEU  10   3.442  -0.984  -1.297
   83   HD22  LEU  10          HD22      LEU  10   3.322   0.505  -0.356
   84   HD23  LEU  10          HD23      LEU  10   1.858  -0.310  -0.909
   85    H    GLY  11           HN       GLY  11   5.238  -3.118  -1.388
   86    HA2  GLY  11           HA1      GLY  11   4.578  -4.127  -3.367
   87    HA3  GLY  11           HA2      GLY  11   3.418  -5.072  -2.446
   88    H    ARG  12           HN       ARG  12   1.428  -3.984  -1.774
   89    HA   ARG  12           HA       ARG  12   0.663  -1.490  -2.881
   90    HB2  ARG  12           HB2      ARG  12   0.739  -3.024  -4.918
   91    HB3  ARG  12           HB1      ARG  12  -0.633  -3.866  -4.213
   92    HG2  ARG  12           HG1      ARG  12  -1.949  -1.819  -4.289
   93    HG3  ARG  12           HG2      ARG  12  -0.568  -0.950  -4.962
   94    HD2  ARG  12           HD1      ARG  12  -1.979  -3.286  -6.243
   95    HD3  ARG  12           HD2      ARG  12  -2.164  -1.593  -6.701
   96    HE   ARG  12           HE       ARG  12   0.558  -2.385  -6.809
   97   HH11  ARG  12          HH11      ARG  12  -1.720  -2.864 -10.066
   98   HH12  ARG  12          HH12      ARG  12  -2.466  -2.651  -8.517
   99   HH21  ARG  12          HH21      ARG  12   0.562  -2.871 -10.252
  100   HH22  ARG  12          HH22      ARG  12   1.549  -2.664  -8.844
  101    H    VAL  13           HN       VAL  13   0.530  -3.246  -0.447
  102    HA   VAL  13           HA       VAL  13  -2.250  -3.811  -0.018
  103    HB   VAL  13           HB       VAL  13  -1.603  -4.304   2.295
  104   HG11  VAL  13          HG11      VAL  13  -1.328  -6.041   0.623
  105   HG12  VAL  13          HG12      VAL  13  -0.040  -6.144   1.822
  106   HG13  VAL  13          HG13      VAL  13   0.285  -5.443   0.236
  107   HG21  VAL  13          HG21      VAL  13   1.129  -3.330   1.465
  108   HG22  VAL  13          HG22      VAL  13   0.746  -4.131   2.989
  109   HG23  VAL  13          HG23      VAL  13   0.049  -2.552   2.622
  110    H    ASN  14           HN       ASN  14  -3.257  -2.913   2.092
  111    HA   ASN  14           HA       ASN  14  -3.099   0.012   1.930
  112    HB2  ASN  14           HB1      ASN  14  -5.332   0.001   2.973
  113    HB3  ASN  14           HB2      ASN  14  -5.303  -0.947   1.489
  114   HD21  ASN  14          HD21      ASN  14  -5.466  -3.183   1.600
  115   HD22  ASN  14          HD22      ASN  14  -6.025  -3.992   3.020
  116    H    LYS  15           HN       LYS  15  -4.019   0.934   4.207
  117    HA   LYS  15           HA       LYS  15  -2.550  -0.342   6.395
  118    HB2  LYS  15           HB2      LYS  15  -1.541   1.772   7.071
  119    HB3  LYS  15           HB1      LYS  15  -1.042   1.344   5.442
  120    HG2  LYS  15           HG2      LYS  15  -3.321   3.225   5.951
  121    HG3  LYS  15           HG1      LYS  15  -1.646   3.775   5.895
  122    HD2  LYS  15           HD1      LYS  15  -1.430   2.842   3.631
  123    HD3  LYS  15           HD2      LYS  15  -3.122   2.341   3.689
  124    HE2  LYS  15           HE2      LYS  15  -2.119   5.177   3.891
  125    HE3  LYS  15           HE1      LYS  15  -2.835   4.440   2.458
  126    HZ1  LYS  15           HZ1      LYS  15  -4.206   4.820   5.065
  127    HZ2  LYS  15           HZ2      LYS  15  -4.891   4.133   3.681
  128    HZ3  LYS  15           HZ3      LYS  15  -4.445   5.764   3.681
  129    H    HIS  16           HN       HIS  16  -2.977   1.065   8.488
  130    HA   HIS  16           HA       HIS  16  -5.758   0.896   8.986
  131    HB2  HIS  16           HB2      HIS  16  -3.575   2.198  10.629
  132    HB3  HIS  16           HB1      HIS  16  -5.200   1.837  11.203
  133    HD1  HIS  16           HD1      HIS  16  -1.872   0.365  10.783
  134    HD2  HIS  16           HD2      HIS  16  -5.749  -1.001  11.395
  135    HE1  HIS  16           HE1      HIS  16  -1.632  -2.023  11.534
  136    HE2  HIS  16           HE2      HIS  16  -3.991  -2.830  11.900
  137    H    SER  17           HN       SER  17  -3.669   3.772   9.297
  138    HA   SER  17           HA       SER  17  -4.075   5.989   8.994
  139    HB2  SER  17           HB1      SER  17  -4.353   5.267   6.645
  140    HB3  SER  17           HB2      SER  17  -6.071   4.999   6.942
  141    HG   SER  17           HG       SER  17  -5.673   7.046   6.004
  142    H    THR  18           HN       THR  18  -5.768   4.342  10.865
  143    HA   THR  18           HA       THR  18  -8.395   5.288  10.957
  144    HB   THR  18           HB       THR  18  -7.692   3.420  12.341
  145    HG1  THR  18           HG1      THR  18  -9.166   5.441  13.166
  146   HG21  THR  18          HG21      THR  18  -5.418   4.164  12.855
  147   HG22  THR  18          HG22      THR  18  -6.297   3.754  14.329
  148   HG23  THR  18          HG23      THR  18  -6.063   5.444  13.882
  149    H    SER  19           HN       SER  19  -5.460   6.910  11.534
  150    HA   SER  19           HA       SER  19  -6.260   8.827  13.435
  151    HB2  SER  19           HB1      SER  19  -3.913   8.491  12.935
  152    HB3  SER  19           HB2      SER  19  -4.165   8.965  11.255
  153    HG   SER  19           HG       SER  19  -3.567  10.839  12.056
  154    H    ILE  20           HN       ILE  20  -7.667  10.437  13.272
  155    HA   ILE  20           HA       ILE  20  -8.101  11.703  10.662
  156    HB   ILE  20           HB       ILE  20  -9.925  10.111  10.939
  157   HG12  ILE  20          HG12      ILE  20 -11.838  11.709  10.817
  158   HG13  ILE  20          HG11      ILE  20 -10.758  12.989  11.358
  159   HG21  ILE  20          HG21      ILE  20 -10.505  11.563  13.515
  160   HG22  ILE  20          HG22      ILE  20  -9.901   9.914  13.360
  161   HG23  ILE  20          HG23      ILE  20 -11.518  10.317  12.787
  162   HD11  ILE  20          HD11      ILE  20 -11.079  13.047   8.952
  163   HD12  ILE  20          HD12      ILE  20 -10.464  11.400   8.822
  164   HD13  ILE  20          HD13      ILE  20  -9.400  12.699   9.361
  165    H    GLY  21           HN       GLY  21  -8.477  13.883  10.719
  166    HA2  GLY  21           HA1      GLY  21  -9.103  15.223  13.207
  167    HA3  GLY  21           HA2      GLY  21  -7.463  15.495  12.634
  168    H    LYS  22           HN       LYS  22  -9.684  14.989  10.126
  169    HA   LYS  22           HA       LYS  22  -9.511  17.796   9.379
  170    HB2  LYS  22           HB1      LYS  22  -8.996  16.078   7.700
  171    HB3  LYS  22           HB2      LYS  22 -10.617  15.419   7.870
  172    HG2  LYS  22           HG1      LYS  22 -10.501  16.757   5.879
  173    HG3  LYS  22           HG2      LYS  22 -11.539  17.559   7.059
  174    HD2  LYS  22           HD1      LYS  22 -10.121  19.206   6.035
  175    HD3  LYS  22           HD2      LYS  22  -9.613  18.985   7.710
  176    HE2  LYS  22           HE2      LYS  22  -7.799  17.523   6.971
  177    HE3  LYS  22           HE1      LYS  22  -8.311  17.731   5.296
  178    HZ1  LYS  22           HZ1      LYS  22  -6.457  19.175   5.839
  179    HZ2  LYS  22           HZ2      LYS  22  -7.343  19.893   7.088
  180    HZ3  LYS  22           HZ3      LYS  22  -7.833  20.092   5.481
  Start of MODEL   16
    1    H1   ACE   0           HA1      ACE   0   7.334   1.993  -9.553
    2    H2   ACE   0           HA2      ACE   0   8.330   2.624 -10.863
    3    H3   ACE   0           HA3      ACE   0   7.858   3.705  -9.554
    4    H    MET   1           HN       MET   1   8.880   3.585  -7.580
    5    HA   MET   1           HA       MET   1  11.061   1.665  -7.278
    6    HB2  MET   1           HB2      MET   1  12.653   3.447  -6.670
    7    HB3  MET   1           HB1      MET   1  12.119   3.579  -8.340
    8    HG2  MET   1           HG2      MET   1  10.554   5.343  -7.703
    9    HG3  MET   1           HG1      MET   1  11.091   5.211  -6.029
   10    HE1  MET   1           HE1      MET   1  13.784   6.654  -9.488
   11    HE2  MET   1           HE2      MET   1  12.088   6.213  -9.688
   12    HE3  MET   1           HE3      MET   1  13.281   4.975  -9.297
   13    H    ASP   2           HN       ASP   2  11.762   1.367  -5.126
   14    HA   ASP   2           HA       ASP   2  10.373   2.802  -3.008
   15    HB2  ASP   2           HB1      ASP   2  10.131  -0.194  -3.355
   16    HB3  ASP   2           HB2      ASP   2   9.599   0.705  -1.936
   17    H    TRP   3           HN       TRP   3  11.309   2.450  -0.907
   18    HA   TRP   3           HA       TRP   3  13.041   2.177   0.551
   19    HB2  TRP   3           HB2      TRP   3  12.988  -0.164   0.335
   20    HB3  TRP   3           HB1      TRP   3  13.558  -0.114  -1.329
   21    HD1  TRP   3           HD1      TRP   3  15.949  -1.077  -1.469
   22    HE1  TRP   3           HE1      TRP   3  18.056  -1.006   0.013
   23    HE3  TRP   3           HE3      TRP   3  14.106   1.675   2.336
   24    HZ2  TRP   3           HZ2      TRP   3  18.825   0.105   2.508
   25    HZ3  TRP   3           HZ3      TRP   3  15.559   2.228   4.262
   26    HH2  TRP   3           HH2      TRP   3  17.878   1.453   4.337
   27    H    GLY   4           HN       GLY   4  14.716   1.189  -2.343
   28    HA2  GLY   4           HA1      GLY   4  15.978   3.576  -3.037
   29    HA3  GLY   4           HA2      GLY   4  17.003   2.727  -1.874
   30    H    THR   5           HN       THR   5  16.024   0.148  -2.687
   31    HA   THR   5           HA       THR   5  16.564  -0.292  -5.465
   32    HB   THR   5           HB       THR   5  18.490  -1.593  -3.535
   33    HG1  THR   5           HG1      THR   5  19.004   0.705  -5.144
   34   HG21  THR   5          HG21      THR   5  18.516  -1.205  -6.531
   35   HG22  THR   5          HG22      THR   5  18.193  -2.713  -5.676
   36   HG23  THR   5          HG23      THR   5  19.793  -1.979  -5.594
   37    H    LEU   6           HN       LEU   6  14.674  -0.767  -3.146
   38    HA   LEU   6           HA       LEU   6  14.455  -3.705  -3.253
   39    HB2  LEU   6           HB1      LEU   6  14.633  -2.339  -1.035
   40    HB3  LEU   6           HB2      LEU   6  12.957  -1.933  -1.352
   41    HG   LEU   6           HG       LEU   6  13.219  -4.758  -1.569
   42   HD11  LEU   6          HD21      LEU   6  15.260  -4.587  -0.269
   43   HD12  LEU   6          HD22      LEU   6  13.973  -5.275   0.720
   44   HD13  LEU   6          HD23      LEU   6  14.440  -3.586   0.930
   45   HD21  LEU   6          HD11      LEU   6  11.188  -3.607  -0.960
   46   HD22  LEU   6          HD12      LEU   6  11.955  -2.948   0.485
   47   HD23  LEU   6          HD13      LEU   6  11.662  -4.683   0.354
   48    H    GLN   7           HN       GLN   7  11.973  -4.271  -2.805
   49    HA   GLN   7           HA       GLN   7  10.191  -2.516  -4.251
   50    HB2  GLN   7           HB2      GLN   7  10.944  -5.256  -5.249
   51    HB3  GLN   7           HB1      GLN   7   9.414  -4.507  -5.683
   52    HG2  GLN   7           HG2      GLN   7  12.015  -3.102  -6.151
   53    HG3  GLN   7           HG1      GLN   7  11.393  -4.290  -7.293
   54   HE21  GLN   7          HE21      GLN   7   8.777  -1.222  -6.774
   55   HE22  GLN   7          HE22      GLN   7   9.300  -2.188  -5.444
   56    H    THR   8           HN       THR   8  10.725  -5.281  -2.206
   57    HA   THR   8           HA       THR   8   7.916  -5.751  -1.800
   58    HB   THR   8           HB       THR   8   8.559  -7.424  -0.173
   59    HG1  THR   8           HG1      THR   8  10.629  -5.835   0.135
   60   HG21  THR   8          HG21      THR   8  10.435  -7.477  -2.543
   61   HG22  THR   8          HG22      THR   8   8.773  -8.066  -2.531
   62   HG23  THR   8          HG23      THR   8   9.998  -8.862  -1.543
   63    H    ILE   9           HN       ILE   9   8.445  -3.190  -1.408
   64    HA   ILE   9           HA       ILE   9   8.744  -2.580   1.387
   65    HB   ILE   9           HB       ILE   9   8.642  -1.161  -1.167
   66   HG12  ILE   9          HG12      ILE   9  10.727  -1.512   0.068
   67   HG13  ILE   9          HG11      ILE   9  10.388   0.206  -0.112
   68   HG21  ILE   9          HG21      ILE   9   7.566   0.157   1.323
   69   HG22  ILE   9          HG22      ILE   9   6.729  -0.085  -0.211
   70   HG23  ILE   9          HG23      ILE   9   8.091   1.031  -0.117
   71   HD11  ILE   9          HD11      ILE   9   9.910  -1.433   2.366
   72   HD12  ILE   9          HD12      ILE   9   9.575   0.289   2.185
   73   HD13  ILE   9          HD13      ILE   9  11.235  -0.300   2.103
   74    H    LEU  10           HN       LEU  10   6.234  -2.497  -1.057
   75    HA   LEU  10           HA       LEU  10   4.169  -2.916   0.901
   76    HB2  LEU  10           HB2      LEU  10   4.182  -0.628   1.246
   77    HB3  LEU  10           HB1      LEU  10   4.587  -0.275  -0.422
   78    HG   LEU  10           HG       LEU  10   2.010  -1.556  -0.276
   79   HD11  LEU  10          HD11      LEU  10   1.992  -0.611   1.993
   80   HD12  LEU  10          HD12      LEU  10   0.794   0.140   0.936
   81   HD13  LEU  10          HD13      LEU  10   2.296   0.987   1.311
   82   HD21  LEU  10          HD21      LEU  10   1.356   0.285  -1.625
   83   HD22  LEU  10          HD22      LEU  10   3.000  -0.154  -2.100
   84   HD23  LEU  10          HD23      LEU  10   2.724   1.253  -1.074
   85    H    GLY  11           HN       GLY  11   2.378  -3.849   0.010
   86    HA2  GLY  11           HA2      GLY  11   2.211  -3.909  -2.933
   87    HA3  GLY  11           HA1      GLY  11   2.125  -5.398  -2.003
   88    H    ARG  12           HN       ARG  12   0.651  -2.213  -1.446
   89    HA   ARG  12           HA       ARG  12  -1.501  -1.577  -1.085
   90    HB2  ARG  12           HB1      ARG  12  -2.084  -3.854  -2.988
   91    HB3  ARG  12           HB2      ARG  12  -3.229  -2.601  -2.527
   92    HG2  ARG  12           HG2      ARG  12  -1.794  -0.908  -3.539
   93    HG3  ARG  12           HG1      ARG  12  -0.636  -2.159  -3.994
   94    HD2  ARG  12           HD1      ARG  12  -3.498  -1.980  -4.930
   95    HD3  ARG  12           HD2      ARG  12  -2.077  -1.531  -5.873
   96    HE   ARG  12           HE       ARG  12  -1.837  -4.198  -4.990
   97   HH11  ARG  12          HH11      ARG  12  -3.861  -3.533  -8.380
   98   HH12  ARG  12          HH12      ARG  12  -3.609  -2.236  -7.259
   99   HH21  ARG  12          HH21      ARG  12  -2.163  -5.911  -6.460
  100   HH22  ARG  12          HH22      ARG  12  -3.039  -5.621  -7.926
  101    H    VAL  13           HN       VAL  13  -0.242  -3.809   0.518
  102    HA   VAL  13           HA       VAL  13  -2.541  -5.364   1.376
  103    HB   VAL  13           HB       VAL  13  -0.942  -6.390   2.991
  104   HG11  VAL  13          HG21      VAL  13  -1.323  -7.407   0.816
  105   HG12  VAL  13          HG22      VAL  13   0.362  -7.601   1.300
  106   HG13  VAL  13          HG23      VAL  13  -0.077  -6.384   0.101
  107   HG21  VAL  13          HG11      VAL  13   0.560  -4.492   3.275
  108   HG22  VAL  13          HG12      VAL  13   1.076  -4.636   1.596
  109   HG23  VAL  13          HG13      VAL  13   1.449  -5.920   2.746
  110    H    ASN  14           HN       ASN  14  -1.280  -2.353   2.056
  111    HA   ASN  14           HA       ASN  14  -2.581  -2.329   4.699
  112    HB2  ASN  14           HB1      ASN  14  -0.154  -2.142   4.971
  113    HB3  ASN  14           HB2      ASN  14  -0.124  -0.777   3.859
  114   HD21  ASN  14          HD21      ASN  14  -1.248  -0.308   7.726
  115   HD22  ASN  14          HD22      ASN  14  -1.010  -1.872   7.033
  116    H    LYS  15           HN       LYS  15  -4.043  -0.750   5.062
  117    HA   LYS  15           HA       LYS  15  -4.143   1.582   3.326
  118    HB2  LYS  15           HB1      LYS  15  -5.488  -0.086   2.131
  119    HB3  LYS  15           HB2      LYS  15  -6.464  -0.340   3.570
  120    HG2  LYS  15           HG1      LYS  15  -7.267   1.955   3.449
  121    HG3  LYS  15           HG2      LYS  15  -6.265   2.236   2.024
  122    HD2  LYS  15           HD1      LYS  15  -7.506   0.514   0.808
  123    HD3  LYS  15           HD2      LYS  15  -8.505   0.224   2.234
  124    HE2  LYS  15           HE1      LYS  15  -8.322   2.819   0.709
  125    HE3  LYS  15           HE2      LYS  15  -9.642   1.655   0.603
  126    HZ1  LYS  15           HZ1      LYS  15 -10.192   3.478   2.083
  127    HZ2  LYS  15           HZ2      LYS  15  -8.843   3.143   3.046
  128    HZ3  LYS  15           HZ3      LYS  15 -10.108   2.024   2.945
  129    H    HIS  16           HN       HIS  16  -3.970   3.060   4.901
  130    HA   HIS  16           HA       HIS  16  -4.494   4.370   6.681
  131    HB2  HIS  16           HB2      HIS  16  -7.189   3.026   6.396
  132    HB3  HIS  16           HB1      HIS  16  -6.870   4.436   7.400
  133    HD1  HIS  16           HD1      HIS  16  -7.757   3.450   4.001
  134    HD2  HIS  16           HD2      HIS  16  -6.104   6.783   5.852
  135    HE1  HIS  16           HE1      HIS  16  -7.981   5.324   2.338
  136    HE2  HIS  16           HE2      HIS  16  -6.974   7.332   3.479
  137    H    SER  17           HN       SER  17  -3.339   3.818   8.412
  138    HA   SER  17           HA       SER  17  -3.791   1.332   9.811
  139    HB2  SER  17           HB1      SER  17  -1.914   2.064  11.241
  140    HB3  SER  17           HB2      SER  17  -1.503   2.157   9.528
  141    HG   SER  17           HG       SER  17  -2.584   4.476  10.287
  142    H    THR  18           HN       THR  18  -5.627   3.888   9.764
  143    HA   THR  18           HA       THR  18  -5.845   4.844  12.388
  144    HB   THR  18           HB       THR  18  -8.108   4.541  10.402
  145    HG1  THR  18           HG1      THR  18  -6.568   6.886  10.727
  146   HG21  THR  18          HG21      THR  18  -9.037   6.501  11.560
  147   HG22  THR  18          HG22      THR  18  -7.691   6.461  12.698
  148   HG23  THR  18          HG23      THR  18  -8.848   5.131  12.653
  149    H    SER  19           HN       SER  19  -6.647   1.813  11.049
  150    HA   SER  19           HA       SER  19  -8.814   0.961  12.543
  151    HB2  SER  19           HB2      SER  19  -6.400  -0.617  11.624
  152    HB3  SER  19           HB1      SER  19  -7.892  -1.338  12.229
  153    HG   SER  19           HG       SER  19  -7.515  -0.925   9.812
  154    H    ILE  20           HN       ILE  20  -9.137   0.265  14.584
  155    HA   ILE  20           HA       ILE  20  -6.825   0.357  16.407
  156    HB   ILE  20           HB       ILE  20  -8.657   0.698  18.190
  157   HG12  ILE  20          HG12      ILE  20 -10.610   2.024  17.197
  158   HG13  ILE  20          HG11      ILE  20 -10.161   1.317  15.649
  159   HG21  ILE  20          HG21      ILE  20  -8.021   2.867  16.196
  160   HG22  ILE  20          HG22      ILE  20  -7.035   2.394  17.580
  161   HG23  ILE  20          HG23      ILE  20  -8.620   3.125  17.835
  162   HD11  ILE  20          HD11      ILE  20 -11.988   0.113  16.737
  163   HD12  ILE  20          HD12      ILE  20 -10.932  -0.238  18.105
  164   HD13  ILE  20          HD13      ILE  20 -10.564  -0.902  16.514
  165    H    GLY  21           HN       GLY  21  -8.593  -1.824  14.834
  166    HA2  GLY  21           HA1      GLY  21  -9.447  -3.598  16.890
  167    HA3  GLY  21           HA2      GLY  21  -9.225  -4.007  15.195
  168    H    LYS  22           HN       LYS  22  -6.362  -2.767  15.861
  169    HA   LYS  22           HA       LYS  22  -5.068  -5.288  16.051
  170    HB2  LYS  22           HB1      LYS  22  -3.940  -2.503  16.384
  171    HB3  LYS  22           HB2      LYS  22  -2.988  -3.968  16.179
  172    HG2  LYS  22           HG2      LYS  22  -3.947  -4.293  13.963
  173    HG3  LYS  22           HG1      LYS  22  -4.925  -2.839  14.168
  174    HD2  LYS  22           HD2      LYS  22  -3.000  -2.281  12.848
  175    HD3  LYS  22           HD1      LYS  22  -2.825  -1.534  14.437
  176    HE2  LYS  22           HE1      LYS  22  -0.723  -2.523  13.700
  177    HE3  LYS  22           HE2      LYS  22  -1.342  -3.345  15.133
  178    HZ1  LYS  22           HZ1      LYS  22  -1.588  -4.315  12.336
  179    HZ2  LYS  22           HZ2      LYS  22  -2.200  -5.100  13.705
  180    HZ3  LYS  22           HZ3      LYS  22  -0.529  -4.925  13.508
  Start of MODEL   17
    1    H1   ACE   0           HA1      ACE   0   4.053  -4.163  -4.663
    2    H2   ACE   0           HA2      ACE   0   4.165  -4.349  -6.412
    3    H3   ACE   0           HA3      ACE   0   3.347  -2.933  -5.755
    4    H    MET   1           HN       MET   1   4.515  -1.199  -6.125
    5    HA   MET   1           HA       MET   1   7.408  -1.350  -6.249
    6    HB2  MET   1           HB2      MET   1   6.181  -0.022  -7.910
    7    HB3  MET   1           HB1      MET   1   5.539   0.997  -6.629
    8    HG2  MET   1           HG1      MET   1   7.373   2.090  -7.772
    9    HG3  MET   1           HG2      MET   1   7.790   1.756  -6.092
   10    HE1  MET   1           HE1      MET   1   7.704  -0.786  -9.112
   11    HE2  MET   1           HE2      MET   1   9.371  -0.677  -9.682
   12    HE3  MET   1           HE3      MET   1   8.294   0.712  -9.830
   13    H    ASP   2           HN       ASP   2   8.817  -0.575  -4.771
   14    HA   ASP   2           HA       ASP   2   8.083   1.267  -2.717
   15    HB2  ASP   2           HB2      ASP   2   8.485  -0.276  -0.803
   16    HB3  ASP   2           HB1      ASP   2   7.033  -0.671  -1.718
   17    H    TRP   3           HN       TRP   3   9.930   1.497  -1.091
   18    HA   TRP   3           HA       TRP   3  12.123   1.954  -0.683
   19    HB2  TRP   3           HB2      TRP   3  12.660  -0.344  -0.601
   20    HB3  TRP   3           HB1      TRP   3  12.410  -0.553  -2.332
   21    HD1  TRP   3           HD1      TRP   3  14.679  -0.981  -3.490
   22    HE1  TRP   3           HE1      TRP   3  17.085  -0.101  -3.219
   23    HE3  TRP   3           HE3      TRP   3  13.915   2.125   0.408
   24    HZ2  TRP   3           HZ2      TRP   3  18.475   1.712  -1.535
   25    HZ3  TRP   3           HZ3      TRP   3  15.808   3.424   1.329
   26    HH2  TRP   3           HH2      TRP   3  18.047   3.216   0.365
   27    H    GLY   4           HN       GLY   4  12.553   0.658  -3.886
   28    HA2  GLY   4           HA1      GLY   4  12.589   3.001  -5.391
   29    HA3  GLY   4           HA2      GLY   4  14.222   2.714  -4.780
   30    H    THR   5           HN       THR   5  13.833  -0.141  -4.699
   31    HA   THR   5           HA       THR   5  13.201  -1.165  -7.286
   32    HB   THR   5           HB       THR   5  16.112  -1.401  -6.518
   33    HG1  THR   5           HG1      THR   5  15.005   0.460  -8.375
   34   HG21  THR   5          HG21      THR   5  16.363  -1.983  -8.901
   35   HG22  THR   5          HG22      THR   5  14.621  -1.806  -9.114
   36   HG23  THR   5          HG23      THR   5  15.257  -3.074  -8.067
   37    H    LEU   6           HN       LEU   6  12.835  -1.472  -4.304
   38    HA   LEU   6           HA       LEU   6  13.687  -4.272  -3.957
   39    HB2  LEU   6           HB1      LEU   6  14.246  -2.320  -2.295
   40    HB3  LEU   6           HB2      LEU   6  12.598  -2.558  -1.753
   41    HG   LEU   6           HG       LEU   6  13.816  -5.109  -1.788
   42   HD11  LEU   6          HD21      LEU   6  15.990  -4.036  -1.863
   43   HD12  LEU   6          HD22      LEU   6  15.719  -4.737  -0.267
   44   HD13  LEU   6          HD23      LEU   6  15.548  -2.997  -0.508
   45   HD21  LEU   6          HD11      LEU   6  12.073  -4.402  -0.264
   46   HD22  LEU   6          HD12      LEU   6  13.157  -3.215   0.463
   47   HD23  LEU   6          HD13      LEU   6  13.484  -4.938   0.649
   48    H    GLN   7           HN       GLN   7  11.953  -5.046  -1.991
   49    HA   GLN   7           HA       GLN   7   9.264  -4.515  -2.908
   50    HB2  GLN   7           HB1      GLN   7   9.440  -6.368  -4.239
   51    HB3  GLN   7           HB2      GLN   7  10.728  -7.068  -3.272
   52    HG2  GLN   7           HG1      GLN   7   8.880  -8.506  -3.071
   53    HG3  GLN   7           HG2      GLN   7   9.003  -7.621  -1.550
   54   HE21  GLN   7          HE21      GLN   7   5.895  -6.079  -1.818
   55   HE22  GLN   7          HE22      GLN   7   7.393  -6.210  -0.968
   56    H    THR   8           HN       THR   8  11.070  -6.713  -0.726
   57    HA   THR   8           HA       THR   8   9.058  -6.738   1.239
   58    HB   THR   8           HB       THR   8  10.647  -8.491   1.385
   59    HG1  THR   8           HG1      THR   8  10.008  -7.318   3.431
   60   HG21  THR   8          HG21      THR   8  12.495  -7.381   0.217
   61   HG22  THR   8          HG22      THR   8  13.045  -8.134   1.715
   62   HG23  THR   8          HG23      THR   8  12.802  -6.389   1.643
   63    H    ILE   9           HN       ILE   9   8.348  -4.726   1.583
   64    HA   ILE   9           HA       ILE   9   9.874  -3.114   3.423
   65    HB   ILE   9           HB       ILE   9   9.427  -2.447   0.602
   66   HG12  ILE   9          HG12      ILE   9  11.653  -2.787   1.580
   67   HG13  ILE   9          HG11      ILE   9  11.483  -1.178   0.888
   68   HG21  ILE   9          HG21      ILE   9   8.984  -0.379   2.749
   69   HG22  ILE   9          HG22      ILE   9   7.856  -0.881   1.488
   70   HG23  ILE   9          HG23      ILE   9   9.321   0.004   1.060
   71   HD11  ILE   9          HD11      ILE   9  11.146  -0.255   3.122
   72   HD12  ILE   9          HD12      ILE   9  12.683  -1.110   2.995
   73   HD13  ILE   9          HD13      ILE   9  11.318  -1.868   3.813
   74    H    LEU  10           HN       LEU  10   6.980  -3.609   1.540
   75    HA   LEU  10           HA       LEU  10   4.768  -3.330   1.960
   76    HB2  LEU  10           HB1      LEU  10   5.925  -4.073   4.377
   77    HB3  LEU  10           HB2      LEU  10   4.923  -2.706   4.768
   78    HG   LEU  10           HG       LEU  10   3.738  -4.840   5.084
   79   HD11  LEU  10          HD11      LEU  10   1.717  -4.257   3.843
   80   HD12  LEU  10          HD12      LEU  10   2.652  -3.158   2.831
   81   HD13  LEU  10          HD13      LEU  10   2.469  -2.829   4.553
   82   HD21  LEU  10          HD21      LEU  10   4.060  -5.151   2.104
   83   HD22  LEU  10          HD22      LEU  10   3.108  -6.191   3.162
   84   HD23  LEU  10          HD23      LEU  10   4.861  -6.127   3.335
   85    H    GLY  11           HN       GLY  11   4.256  -1.440   0.977
   86    HA2  GLY  11           HA2      GLY  11   4.785   0.976   2.536
   87    HA3  GLY  11           HA1      GLY  11   4.538   0.958   0.793
   88    H    ARG  12           HN       ARG  12   2.493  -0.998   2.742
   89    HA   ARG  12           HA       ARG  12   0.264  -0.976   3.161
   90    HB2  ARG  12           HB1      ARG  12   0.856   1.968   3.478
   91    HB3  ARG  12           HB2      ARG  12  -0.711   1.260   3.839
   92    HG2  ARG  12           HG1      ARG  12   0.407   1.432   5.896
   93    HG3  ARG  12           HG2      ARG  12   0.494  -0.273   5.449
   94    HD2  ARG  12           HD1      ARG  12   2.766   0.050   4.625
   95    HD3  ARG  12           HD2      ARG  12   2.681   1.763   5.033
   96    HE   ARG  12           HE       ARG  12   2.132   0.251   7.332
   97   HH11  ARG  12          HH11      ARG  12   5.990   0.795   6.407
   98   HH12  ARG  12          HH12      ARG  12   4.776   0.999   5.190
   99   HH21  ARG  12          HH21      ARG  12   3.724  -0.022   8.942
  100   HH22  ARG  12          HH22      ARG  12   5.392   0.214   8.541
  101    H    VAL  13           HN       VAL  13   1.323  -0.504   0.378
  102    HA   VAL  13           HA       VAL  13  -0.780   1.050  -0.879
  103    HB   VAL  13           HB       VAL  13   0.350   0.502  -2.996
  104   HG11  VAL  13          HG11      VAL  13   1.064   2.458  -1.732
  105   HG12  VAL  13          HG12      VAL  13   2.432   1.718  -2.565
  106   HG13  VAL  13          HG13      VAL  13   2.216   1.470  -0.832
  107   HG21  VAL  13          HG21      VAL  13   1.137  -1.731  -2.455
  108   HG22  VAL  13          HG22      VAL  13   2.244  -1.070  -1.252
  109   HG23  VAL  13          HG23      VAL  13   2.485  -0.714  -2.963
  110    H    ASN  14           HN       ASN  14  -0.600  -1.995   0.329
  111    HA   ASN  14           HA       ASN  14  -2.194  -3.233  -1.795
  112    HB2  ASN  14           HB2      ASN  14  -1.856  -5.333  -0.546
  113    HB3  ASN  14           HB1      ASN  14  -0.326  -4.556  -0.943
  114   HD21  ASN  14          HD21      ASN  14  -2.550  -5.387   1.585
  115   HD22  ASN  14          HD22      ASN  14  -1.486  -5.062   2.907
  116    H    LYS  15           HN       LYS  15  -3.891  -4.858  -0.734
  117    HA   LYS  15           HA       LYS  15  -5.876  -3.181   0.457
  118    HB2  LYS  15           HB1      LYS  15  -6.462  -4.943  -1.151
  119    HB3  LYS  15           HB2      LYS  15  -5.883  -6.167  -0.029
  120    HG2  LYS  15           HG2      LYS  15  -7.621  -5.535   1.565
  121    HG3  LYS  15           HG1      LYS  15  -8.198  -4.299   0.446
  122    HD2  LYS  15           HD1      LYS  15  -9.602  -6.238   0.240
  123    HD3  LYS  15           HD2      LYS  15  -8.629  -6.087  -1.224
  124    HE2  LYS  15           HE1      LYS  15  -8.732  -8.405  -0.466
  125    HE3  LYS  15           HE2      LYS  15  -7.085  -7.778  -0.386
  126    HZ1  LYS  15           HZ1      LYS  15  -8.959  -8.043   1.904
  127    HZ2  LYS  15           HZ2      LYS  15  -7.394  -7.409   1.990
  128    HZ3  LYS  15           HZ3      LYS  15  -7.624  -9.036   1.591
  129    H    HIS  16           HN       HIS  16  -4.653  -6.339   1.582
  130    HA   HIS  16           HA       HIS  16  -4.132  -5.341   4.222
  131    HB2  HIS  16           HB1      HIS  16  -6.595  -5.589   4.285
  132    HB3  HIS  16           HB2      HIS  16  -6.421  -7.285   3.851
  133    HD1  HIS  16           HD1      HIS  16  -6.062  -4.920   6.708
  134    HD2  HIS  16           HD2      HIS  16  -5.523  -8.966   5.923
  135    HE1  HIS  16           HE1      HIS  16  -5.802  -6.013   8.958
  136    HE2  HIS  16           HE2      HIS  16  -5.478  -8.462   8.459
  137    H    SER  17           HN       SER  17  -4.538  -8.077   2.054
  138    HA   SER  17           HA       SER  17  -2.138  -9.288   3.188
  139    HB2  SER  17           HB1      SER  17  -3.194 -11.521   3.290
  140    HB3  SER  17           HB2      SER  17  -3.968 -10.383   4.392
  141    HG   SER  17           HG       SER  17  -5.128 -11.817   2.542
  142    H    THR  18           HN       THR  18  -3.659  -8.159   0.587
  143    HA   THR  18           HA       THR  18  -3.407 -10.129  -1.391
  144    HB   THR  18           HB       THR  18  -3.060  -7.149  -1.777
  145    HG1  THR  18           HG1      THR  18  -5.441  -8.720  -1.826
  146   HG21  THR  18          HG21      THR  18  -2.429  -8.466  -3.732
  147   HG22  THR  18          HG22      THR  18  -3.938  -7.602  -4.030
  148   HG23  THR  18          HG23      THR  18  -3.967  -9.327  -3.664
  149    H    SER  19           HN       SER  19  -1.046  -8.336   0.306
  150    HA   SER  19           HA       SER  19   1.044  -8.127  -1.505
  151    HB2  SER  19           HB1      SER  19   1.173  -7.098   0.684
  152    HB3  SER  19           HB2      SER  19   1.128  -8.677   1.470
  153    HG   SER  19           HG       SER  19   3.257  -7.888   1.329
  154    H    ILE  20           HN       ILE  20   1.970  -9.637  -2.706
  155    HA   ILE  20           HA       ILE  20   1.944 -12.419  -1.809
  156    HB   ILE  20           HB       ILE  20   1.137 -11.996  -4.072
  157   HG12  ILE  20          HG11      ILE  20   2.641 -13.566  -5.301
  158   HG13  ILE  20          HG12      ILE  20   3.796 -13.439  -3.978
  159   HG21  ILE  20          HG21      ILE  20   2.415  -9.982  -4.553
  160   HG22  ILE  20          HG22      ILE  20   2.638 -11.185  -5.824
  161   HG23  ILE  20          HG23      ILE  20   3.902 -10.928  -4.622
  162   HD11  ILE  20          HD11      ILE  20   0.997 -14.523  -3.782
  163   HD12  ILE  20          HD12      ILE  20   2.145 -14.384  -2.450
  164   HD13  ILE  20          HD13      ILE  20   2.487 -15.466  -3.800
  165    H    GLY  21           HN       GLY  21   3.766 -13.620  -1.450
  166    HA2  GLY  21           HA2      GLY  21   6.341 -13.261  -2.214
  167    HA3  GLY  21           HA1      GLY  21   6.179 -12.142  -0.868
  168    H    LYS  22           HN       LYS  22   4.202 -13.995   0.422
  169    HA   LYS  22           HA       LYS  22   6.194 -15.707   1.698
  170    HB2  LYS  22           HB1      LYS  22   3.356 -15.049   2.511
  171    HB3  LYS  22           HB2      LYS  22   4.486 -16.012   3.453
  172    HG2  LYS  22           HG1      LYS  22   5.962 -14.082   3.670
  173    HG3  LYS  22           HG2      LYS  22   4.836 -13.113   2.717
  174    HD2  LYS  22           HD2      LYS  22   3.103 -13.466   4.413
  175    HD3  LYS  22           HD1      LYS  22   4.238 -14.422   5.369
  176    HE2  LYS  22           HE2      LYS  22   4.558 -11.515   4.631
  177    HE3  LYS  22           HE1      LYS  22   4.065 -12.131   6.208
  178    HZ1  LYS  22           HZ1      LYS  22   6.408 -11.577   6.181
  179    HZ2  LYS  22           HZ2      LYS  22   6.679 -12.637   4.892
  180    HZ3  LYS  22           HZ3      LYS  22   6.206 -13.242   6.399
  Start of MODEL   18
    1    H1   ACE   0           HA1      ACE   0   7.666  -1.214 -10.569
    2    H2   ACE   0           HA2      ACE   0   8.993  -1.043 -11.715
    3    H3   ACE   0           HA3      ACE   0   8.381   0.393 -10.896
    4    H    MET   1           HN       MET   1  10.268   0.975  -9.915
    5    HA   MET   1           HA       MET   1  11.492  -0.965  -8.083
    6    HB2  MET   1           HB2      MET   1  12.534   1.697  -9.073
    7    HB3  MET   1           HB1      MET   1  13.398   0.595  -8.009
    8    HG2  MET   1           HG1      MET   1  12.555   0.020 -10.840
    9    HG3  MET   1           HG2      MET   1  14.184   0.422 -10.302
   10    HE1  MET   1           HE1      MET   1  14.380  -1.163  -7.560
   11    HE2  MET   1           HE2      MET   1  15.671  -1.159  -8.761
   12    HE3  MET   1           HE3      MET   1  15.092  -2.685  -8.092
   13    H    ASP   2           HN       ASP   2  12.351   0.018  -6.007
   14    HA   ASP   2           HA       ASP   2  11.078   2.322  -4.925
   15    HB2  ASP   2           HB2      ASP   2   9.738   1.122  -3.191
   16    HB3  ASP   2           HB1      ASP   2   9.116   0.925  -4.827
   17    H    TRP   3           HN       TRP   3  11.699   2.720  -2.699
   18    HA   TRP   3           HA       TRP   3  13.239   2.828  -1.026
   19    HB2  TRP   3           HB2      TRP   3  12.410   0.590  -0.441
   20    HB3  TRP   3           HB1      TRP   3  13.547  -0.129  -1.577
   21    HD1  TRP   3           HD1      TRP   3  15.572  -1.140  -0.338
   22    HE1  TRP   3           HE1      TRP   3  16.923  -0.561   1.776
   23    HE3  TRP   3           HE3      TRP   3  13.046   2.996   1.065
   24    HZ2  TRP   3           HZ2      TRP   3  16.901   1.433   3.793
   25    HZ3  TRP   3           HZ3      TRP   3  13.741   4.220   3.098
   26    HH2  TRP   3           HH2      TRP   3  15.638   3.445   4.433
   27    H    GLY   4           HN       GLY   4  15.581   2.582  -0.528
   28    HA2  GLY   4           HA1      GLY   4  17.197   3.422  -2.631
   29    HA3  GLY   4           HA2      GLY   4  17.772   2.771  -1.099
   30    H    THR   5           HN       THR   5  16.081   0.322  -1.819
   31    HA   THR   5           HA       THR   5  16.924  -0.995  -4.082
   32    HB   THR   5           HB       THR   5  19.215  -0.883  -3.447
   33    HG1  THR   5           HG1      THR   5  18.768  -2.934  -4.166
   34   HG21  THR   5          HG21      THR   5  20.059  -1.605  -1.269
   35   HG22  THR   5          HG22      THR   5  18.414  -1.946  -0.735
   36   HG23  THR   5          HG23      THR   5  18.901  -0.288  -1.086
   37    H    LEU   6           HN       LEU   6  14.656  -1.433  -3.498
   38    HA   LEU   6           HA       LEU   6  14.406  -3.974  -2.103
   39    HB2  LEU   6           HB1      LEU   6  14.113  -1.980  -0.486
   40    HB3  LEU   6           HB2      LEU   6  12.593  -1.715  -1.313
   41    HG   LEU   6           HG       LEU   6  12.682  -4.444  -0.523
   42   HD11  LEU   6          HD21      LEU   6  14.383  -3.854   1.095
   43   HD12  LEU   6          HD22      LEU   6  12.853  -4.137   1.926
   44   HD13  LEU   6          HD23      LEU   6  13.417  -2.486   1.653
   45   HD21  LEU   6          HD11      LEU   6  11.146  -2.037   0.446
   46   HD22  LEU   6          HD12      LEU   6  10.748  -3.709   0.851
   47   HD23  LEU   6          HD13      LEU   6  10.663  -3.163  -0.824
   48    H    GLN   7           HN       GLN   7  11.806  -4.368  -2.015
   49    HA   GLN   7           HA       GLN   7  10.491  -3.352  -4.365
   50    HB2  GLN   7           HB2      GLN   7  11.355  -6.222  -4.123
   51    HB3  GLN   7           HB1      GLN   7   9.956  -5.776  -5.089
   52    HG2  GLN   7           HG2      GLN   7  12.801  -4.894  -5.492
   53    HG3  GLN   7           HG1      GLN   7  11.855  -5.967  -6.522
   54   HE21  GLN   7          HE21      GLN   7   9.692  -2.921  -7.206
   55   HE22  GLN   7          HE22      GLN   7   9.444  -4.297  -6.190
   56    H    THR   8           HN       THR   8  10.443  -5.273  -1.450
   57    HA   THR   8           HA       THR   8   7.579  -5.569  -1.498
   58    HB   THR   8           HB       THR   8   7.798  -6.655   0.667
   59    HG1  THR   8           HG1      THR   8   9.946  -5.125   0.796
   60   HG21  THR   8          HG21      THR   8  10.006  -7.509  -1.216
   61   HG22  THR   8          HG22      THR   8   8.318  -8.008  -1.316
   62   HG23  THR   8          HG23      THR   8   9.300  -8.498   0.064
   63    H    ILE   9           HN       ILE   9   8.086  -3.030  -1.793
   64    HA   ILE   9           HA       ILE   9   7.797  -1.691   0.775
   65    HB   ILE   9           HB       ILE   9   8.996  -1.092  -1.728
   66   HG12  ILE   9          HG12      ILE   9  10.033  -0.771   0.468
   67   HG13  ILE   9          HG11      ILE   9  10.056   0.722  -0.462
   68   HG21  ILE   9          HG21      ILE   9   8.224   1.238  -2.037
   69   HG22  ILE   9          HG22      ILE   9   6.945   0.942  -0.859
   70   HG23  ILE   9          HG23      ILE   9   6.972   0.043  -2.376
   71   HD11  ILE   9          HD11      ILE   9   8.126   0.053   1.747
   72   HD12  ILE   9          HD12      ILE   9   8.156   1.553   0.819
   73   HD13  ILE   9          HD13      ILE   9   9.513   1.138   1.865
   74    H    LEU  10           HN       LEU  10   6.041  -2.653  -1.992
   75    HA   LEU  10           HA       LEU  10   3.619  -1.398  -0.911
   76    HB2  LEU  10           HB1      LEU  10   4.915  -0.582  -3.259
   77    HB3  LEU  10           HB2      LEU  10   3.533  -1.508  -3.789
   78    HG   LEU  10           HG       LEU  10   3.148   0.965  -3.601
   79   HD11  LEU  10          HD11      LEU  10   0.948   0.745  -2.612
   80   HD12  LEU  10          HD12      LEU  10   1.419  -0.771  -1.845
   81   HD13  LEU  10          HD13      LEU  10   1.313  -0.667  -3.602
   82   HD21  LEU  10          HD21      LEU  10   4.470   1.301  -1.546
   83   HD22  LEU  10          HD22      LEU  10   3.242   0.414  -0.642
   84   HD23  LEU  10          HD23      LEU  10   2.830   1.941  -1.420
   85    H    GLY  11           HN       GLY  11   1.636  -2.342  -1.772
   86    HA2  GLY  11           HA2      GLY  11   1.679  -4.760  -3.243
   87    HA3  GLY  11           HA1      GLY  11   1.519  -5.090  -1.522
   88    H    ARG  12           HN       ARG  12   0.230  -2.163  -2.816
   89    HA   ARG  12           HA       ARG  12  -1.870  -1.331  -2.972
   90    HB2  ARG  12           HB2      ARG  12  -1.892  -3.119  -4.792
   91    HB3  ARG  12           HB1      ARG  12  -2.760  -4.134  -3.651
   92    HG2  ARG  12           HG1      ARG  12  -4.328  -3.094  -5.133
   93    HG3  ARG  12           HG2      ARG  12  -4.527  -2.410  -3.518
   94    HD2  ARG  12           HD1      ARG  12  -3.180  -0.470  -4.188
   95    HD3  ARG  12           HD2      ARG  12  -3.018  -1.149  -5.806
   96    HE   ARG  12           HE       ARG  12  -5.740  -0.966  -5.207
   97   HH11  ARG  12          HH11      ARG  12  -3.975   2.426  -6.397
   98   HH12  ARG  12          HH12      ARG  12  -3.013   1.129  -5.767
   99   HH21  ARG  12          HH21      ARG  12  -6.248   2.201  -6.546
  100   HH22  ARG  12          HH22      ARG  12  -7.014   0.735  -6.033
  101    H    VAL  13           HN       VAL  13  -0.894  -2.715  -0.468
  102    HA   VAL  13           HA       VAL  13  -3.529  -3.008   0.820
  103    HB   VAL  13           HB       VAL  13  -2.426  -5.176   0.769
  104   HG11  VAL  13          HG21      VAL  13  -0.291  -5.550   1.904
  105   HG12  VAL  13          HG22      VAL  13  -0.154  -3.821   2.218
  106   HG13  VAL  13          HG23      VAL  13  -0.118  -4.422   0.561
  107   HG21  VAL  13          HG11      VAL  13  -2.421  -5.670   3.166
  108   HG22  VAL  13          HG12      VAL  13  -3.775  -4.632   2.722
  109   HG23  VAL  13          HG13      VAL  13  -2.361  -3.943   3.520
  110    H    ASN  14           HN       ASN  14  -3.859  -1.931   2.718
  111    HA   ASN  14           HA       ASN  14  -1.610  -0.351   3.775
  112    HB2  ASN  14           HB1      ASN  14  -4.466   0.587   3.429
  113    HB3  ASN  14           HB2      ASN  14  -3.173   1.509   4.190
  114   HD21  ASN  14          HD21      ASN  14  -1.466   1.444   0.824
  115   HD22  ASN  14          HD22      ASN  14  -1.162   0.593   2.296
  116    H    LYS  15           HN       LYS  15  -1.179  -1.398   5.626
  117    HA   LYS  15           HA       LYS  15  -1.394  -2.184   7.744
  118    HB2  LYS  15           HB1      LYS  15  -2.311   0.066   8.156
  119    HB3  LYS  15           HB2      LYS  15  -3.920  -0.523   7.760
  120    HG2  LYS  15           HG2      LYS  15  -3.849  -2.036   9.668
  121    HG3  LYS  15           HG1      LYS  15  -2.221  -1.476  10.057
  122    HD2  LYS  15           HD2      LYS  15  -3.087   0.791  10.398
  123    HD3  LYS  15           HD1      LYS  15  -4.714   0.224  10.020
  124    HE2  LYS  15           HE2      LYS  15  -4.633  -1.291  11.937
  125    HE3  LYS  15           HE1      LYS  15  -3.005  -0.730  12.314
  126    HZ1  LYS  15           HZ1      LYS  15  -3.891   1.488  12.680
  127    HZ2  LYS  15           HZ2      LYS  15  -4.656   0.367  13.690
  128    HZ3  LYS  15           HZ3      LYS  15  -5.453   0.950  12.317
  129    H    HIS  16           HN       HIS  16  -4.883  -1.970   7.240
  130    HA   HIS  16           HA       HIS  16  -5.158  -4.757   6.599
  131    HB2  HIS  16           HB1      HIS  16  -4.743  -4.882   9.028
  132    HB3  HIS  16           HB2      HIS  16  -6.097  -3.793   9.310
  133    HD1  HIS  16           HD1      HIS  16  -5.278  -7.331   8.502
  134    HD2  HIS  16           HD2      HIS  16  -8.650  -4.950   8.984
  135    HE1  HIS  16           HE1      HIS  16  -7.213  -8.930   8.665
  136    HE2  HIS  16           HE2      HIS  16  -9.245  -7.467   8.957
  137    H    SER  17           HN       SER  17  -6.675  -4.641   5.086
  138    HA   SER  17           HA       SER  17  -9.281  -3.606   5.699
  139    HB2  SER  17           HB1      SER  17  -9.361  -1.973   3.844
  140    HB3  SER  17           HB2      SER  17  -8.173  -1.515   5.063
  141    HG   SER  17           HG       SER  17  -7.191  -1.291   3.097
  142    H    THR  18           HN       THR  18  -7.486  -5.888   4.459
  143    HA   THR  18           HA       THR  18  -8.720  -6.367   1.914
  144    HB   THR  18           HB       THR  18  -6.479  -7.231   2.371
  145    HG1  THR  18           HG1      THR  18  -7.806  -8.398   0.898
  146   HG21  THR  18          HG21      THR  18  -7.833  -9.002   4.408
  147   HG22  THR  18          HG22      THR  18  -6.726  -7.676   4.764
  148   HG23  THR  18          HG23      THR  18  -6.144  -9.107   3.912
  149    H    SER  19           HN       SER  19 -10.137  -6.265   4.729
  150    HA   SER  19           HA       SER  19 -11.483  -8.807   4.832
  151    HB2  SER  19           HB1      SER  19 -11.068  -7.621   6.906
  152    HB3  SER  19           HB2      SER  19 -11.946  -6.210   6.317
  153    HG   SER  19           HG       SER  19 -12.907  -8.655   7.253
  154    H    ILE  20           HN       ILE  20 -11.678  -6.865   2.470
  155    HA   ILE  20           HA       ILE  20 -14.575  -6.442   2.409
  156    HB   ILE  20           HB       ILE  20 -14.154  -5.161   0.339
  157   HG12  ILE  20          HG12      ILE  20 -11.228  -5.625   0.965
  158   HG13  ILE  20          HG11      ILE  20 -12.107  -6.407  -0.344
  159   HG21  ILE  20          HG21      ILE  20 -13.049  -3.256   1.410
  160   HG22  ILE  20          HG22      ILE  20 -12.480  -4.314   2.701
  161   HG23  ILE  20          HG23      ILE  20 -14.208  -4.026   2.492
  162   HD11  ILE  20          HD11      ILE  20 -11.617  -3.452  -0.065
  163   HD12  ILE  20          HD12      ILE  20 -12.509  -4.230  -1.372
  164   HD13  ILE  20          HD13      ILE  20 -10.787  -4.552  -1.167
  165    H    GLY  21           HN       GLY  21 -15.738  -6.993   0.396
  166    HA2  GLY  21           HA1      GLY  21 -15.736  -8.291  -1.678
  167    HA3  GLY  21           HA2      GLY  21 -14.612  -9.396  -0.902
  168    H    LYS  22           HN       LYS  22 -17.177  -8.205   1.044
  169    HA   LYS  22           HA       LYS  22 -18.940 -10.432   0.435
  170    HB2  LYS  22           HB1      LYS  22 -18.991 -11.064   2.903
  171    HB3  LYS  22           HB2      LYS  22 -17.579 -11.567   1.987
  172    HG2  LYS  22           HG2      LYS  22 -16.319  -9.675   2.893
  173    HG3  LYS  22           HG1      LYS  22 -17.736  -9.186   3.825
  174    HD2  LYS  22           HD1      LYS  22 -16.356 -11.855   4.087
  175    HD3  LYS  22           HD2      LYS  22 -16.067 -10.472   5.144
  176    HE2  LYS  22           HE1      LYS  22 -18.428 -10.485   5.798
  177    HE3  LYS  22           HE2      LYS  22 -18.708 -11.875   4.751
  178    HZ1  LYS  22           HZ1      LYS  22 -18.419 -12.554   7.044
  179    HZ2  LYS  22           HZ2      LYS  22 -16.897 -11.820   7.104
  180    HZ3  LYS  22           HZ3      LYS  22 -17.154 -13.152   6.094
  Start of MODEL   19
    1    H1   ACE   0           HA1      ACE   0   5.735  -4.492  -8.276
    2    H2   ACE   0           HA2      ACE   0   5.104  -2.958  -7.681
    3    H3   ACE   0           HA3      ACE   0   4.894  -4.406  -6.699
    4    H    MET   1           HN       MET   1   6.667  -1.662  -7.026
    5    HA   MET   1           HA       MET   1   8.849  -2.803  -5.421
    6    HB2  MET   1           HB1      MET   1   9.172  -0.785  -7.651
    7    HB3  MET   1           HB2      MET   1  10.450  -1.303  -6.560
    8    HG2  MET   1           HG2      MET   1  10.239  -3.589  -7.406
    9    HG3  MET   1           HG1      MET   1   8.973  -3.056  -8.511
   10    HE1  MET   1           HE1      MET   1  10.941  -0.636 -10.883
   11    HE2  MET   1           HE2      MET   1  10.062  -0.205  -9.417
   12    HE3  MET   1           HE3      MET   1   9.382  -1.386 -10.537
   13    H    ASP   2           HN       ASP   2  10.246  -0.673  -4.701
   14    HA   ASP   2           HA       ASP   2   8.685   1.608  -4.018
   15    HB2  ASP   2           HB1      ASP   2   7.744  -0.025  -2.413
   16    HB3  ASP   2           HB2      ASP   2   9.363  -0.285  -1.771
   17    H    TRP   3           HN       TRP   3  11.135  -0.072  -2.180
   18    HA   TRP   3           HA       TRP   3  12.815   2.067  -1.699
   19    HB2  TRP   3           HB2      TRP   3  13.087  -0.076  -0.558
   20    HB3  TRP   3           HB1      TRP   3  13.557  -0.833  -2.074
   21    HD1  TRP   3           HD1      TRP   3  16.120  -1.198  -2.199
   22    HE1  TRP   3           HE1      TRP   3  18.197   0.029  -1.292
   23    HE3  TRP   3           HE3      TRP   3  13.788   2.610   0.129
   24    HZ2  TRP   3           HZ2      TRP   3  18.753   2.357   0.236
   25    HZ3  TRP   3           HZ3      TRP   3  15.121   4.330   1.310
   26    HH2  TRP   3           HH2      TRP   3  17.563   4.197   1.357
   27    H    GLY   4           HN       GLY   4  15.014   2.440  -2.590
   28    HA2  GLY   4           HA1      GLY   4  15.065   3.133  -5.234
   29    HA3  GLY   4           HA2      GLY   4  16.503   2.719  -4.304
   30    H    THR   5           HN       THR   5  15.648   0.023  -3.784
   31    HA   THR   5           HA       THR   5  15.092  -1.444  -6.128
   32    HB   THR   5           HB       THR   5  18.002  -1.529  -5.280
   33    HG1  THR   5           HG1      THR   5  16.925  -0.601  -7.747
   34   HG21  THR   5          HG21      THR   5  17.146  -3.685  -6.052
   35   HG22  THR   5          HG22      THR   5  18.278  -3.003  -7.220
   36   HG23  THR   5          HG23      THR   5  16.542  -2.926  -7.525
   37    H    LEU   6           HN       LEU   6  13.704  -2.044  -4.212
   38    HA   LEU   6           HA       LEU   6  14.846  -4.395  -2.901
   39    HB2  LEU   6           HB1      LEU   6  14.763  -2.099  -1.540
   40    HB3  LEU   6           HB2      LEU   6  13.140  -2.647  -1.210
   41    HG   LEU   6           HG       LEU   6  14.655  -4.875  -0.630
   42   HD11  LEU   6          HD21      LEU   6  16.740  -3.684  -0.938
   43   HD12  LEU   6          HD22      LEU   6  16.506  -4.031   0.776
   44   HD13  LEU   6          HD23      LEU   6  16.202  -2.406   0.156
   45   HD21  LEU   6          HD11      LEU   6  12.893  -4.111   0.774
   46   HD22  LEU   6          HD12      LEU   6  13.735  -2.599   1.113
   47   HD23  LEU   6          HD13      LEU   6  14.362  -4.122   1.751
   48    H    GLN   7           HN       GLN   7  12.441  -4.556  -1.150
   49    HA   GLN   7           HA       GLN   7  10.129  -4.568  -2.777
   50    HB2  GLN   7           HB1      GLN   7   9.959  -7.176  -2.688
   51    HB3  GLN   7           HB2      GLN   7  10.885  -6.406  -3.970
   52    HG2  GLN   7           HG1      GLN   7  12.030  -8.348  -2.981
   53    HG3  GLN   7           HG2      GLN   7  12.949  -6.851  -2.823
   54   HE21  GLN   7          HE21      GLN   7  13.024  -5.816  -0.763
   55   HE22  GLN   7          HE22      GLN   7  12.776  -6.724   0.685
   56    H    THR   8           HN       THR   8   8.323  -5.936  -1.765
   57    HA   THR   8           HA       THR   8   6.962  -6.315   0.026
   58    HB   THR   8           HB       THR   8   9.242  -6.616   1.921
   59    HG1  THR   8           HG1      THR   8   9.630  -7.568  -0.357
   60   HG21  THR   8          HG21      THR   8   7.939  -8.571   2.633
   61   HG22  THR   8          HG22      THR   8   6.797  -8.290   1.319
   62   HG23  THR   8          HG23      THR   8   6.948  -7.113   2.623
   63    H    ILE   9           HN       ILE   9   8.642  -3.778  -0.483
   64    HA   ILE   9           HA       ILE   9   8.269  -2.398   2.067
   65    HB   ILE   9           HB       ILE   9   9.555  -1.344  -0.450
   66   HG12  ILE   9          HG12      ILE   9  10.790  -3.300   0.188
   67   HG13  ILE   9          HG11      ILE   9  11.716  -1.889   0.681
   68   HG21  ILE   9          HG21      ILE   9   9.630  -0.462   2.416
   69   HG22  ILE   9          HG22      ILE   9   9.003   0.426   1.027
   70   HG23  ILE   9          HG23      ILE   9  10.735   0.129   1.178
   71   HD11  ILE   9          HD11      ILE   9  10.930  -2.174   2.974
   72   HD12  ILE   9          HD12      ILE   9  11.772  -3.608   2.389
   73   HD13  ILE   9          HD13      ILE   9  10.011  -3.595   2.481
   74    H    LEU  10           HN       LEU  10   6.284  -3.174  -0.224
   75    HA   LEU  10           HA       LEU  10   5.218  -0.765  -1.231
   76    HB2  LEU  10           HB1      LEU  10   4.322  -3.583  -1.016
   77    HB3  LEU  10           HB2      LEU  10   3.098  -2.371  -1.334
   78    HG   LEU  10           HG       LEU  10   3.853  -3.356  -3.417
   79   HD11  LEU  10          HD21      LEU  10   4.379  -1.339  -4.618
   80   HD12  LEU  10          HD22      LEU  10   4.940  -0.561  -3.138
   81   HD13  LEU  10          HD23      LEU  10   3.233  -0.958  -3.332
   82   HD21  LEU  10          HD11      LEU  10   6.154  -3.097  -4.191
   83   HD22  LEU  10          HD12      LEU  10   6.080  -4.056  -2.713
   84   HD23  LEU  10          HD13      LEU  10   6.596  -2.371  -2.645
   85    H    GLY  11           HN       GLY  11   4.894   0.721   0.408
   86    HA2  GLY  11           HA2      GLY  11   3.243  -0.077   2.652
   87    HA3  GLY  11           HA1      GLY  11   4.005   1.498   2.440
   88    H    ARG  12           HN       ARG  12   2.369   0.271  -0.274
   89    HA   ARG  12           HA       ARG  12   0.165   2.151   0.179
   90    HB2  ARG  12           HB1      ARG  12   1.215   1.012  -2.414
   91    HB3  ARG  12           HB2      ARG  12  -0.110   2.158  -2.270
   92    HG2  ARG  12           HG1      ARG  12   1.441   3.795  -1.287
   93    HG3  ARG  12           HG2      ARG  12   2.763   2.648  -1.518
   94    HD2  ARG  12           HD2      ARG  12   1.043   3.848  -3.684
   95    HD3  ARG  12           HD1      ARG  12   2.712   4.285  -3.319
   96    HE   ARG  12           HE       ARG  12   2.761   1.586  -3.806
   97   HH11  ARG  12          HH11      ARG  12   2.146   3.756  -7.116
   98   HH12  ARG  12          HH12      ARG  12   1.776   4.430  -5.564
   99   HH21  ARG  12          HH21      ARG  12   3.252   0.692  -5.846
  100   HH22  ARG  12          HH22      ARG  12   2.985   1.631  -7.276
  101    H    VAL  13           HN       VAL  13   0.624  -0.857   0.826
  102    HA   VAL  13           HA       VAL  13  -2.030  -1.720  -0.119
  103    HB   VAL  13           HB       VAL  13   0.338  -3.557   0.252
  104   HG11  VAL  13          HG11      VAL  13  -1.812  -4.625   0.636
  105   HG12  VAL  13          HG12      VAL  13  -1.092  -5.206  -0.865
  106   HG13  VAL  13          HG13      VAL  13  -2.404  -4.027  -0.914
  107   HG21  VAL  13          HG21      VAL  13   0.384  -3.736  -2.191
  108   HG22  VAL  13          HG22      VAL  13   0.717  -2.090  -1.655
  109   HG23  VAL  13          HG23      VAL  13  -0.870  -2.502  -2.303
  110    H    ASN  14           HN       ASN  14  -3.334  -2.715   1.364
  111    HA   ASN  14           HA       ASN  14  -2.315  -3.629   3.897
  112    HB2  ASN  14           HB2      ASN  14  -2.490  -1.152   4.199
  113    HB3  ASN  14           HB1      ASN  14  -4.217  -1.279   3.880
  114   HD21  ASN  14          HD21      ASN  14  -5.568  -2.103   5.431
  115   HD22  ASN  14          HD22      ASN  14  -5.060  -2.411   7.053
  116    H    LYS  15           HN       LYS  15  -4.265  -4.028   1.404
  117    HA   LYS  15           HA       LYS  15  -6.769  -4.670   2.591
  118    HB2  LYS  15           HB2      LYS  15  -5.537  -5.452  -0.051
  119    HB3  LYS  15           HB1      LYS  15  -7.172  -5.890   0.420
  120    HG2  LYS  15           HG1      LYS  15  -7.479  -4.001  -0.878
  121    HG3  LYS  15           HG2      LYS  15  -7.524  -3.366   0.768
  122    HD2  LYS  15           HD2      LYS  15  -6.125  -1.856  -0.266
  123    HD3  LYS  15           HD1      LYS  15  -4.964  -3.008   0.396
  124    HE2  LYS  15           HE1      LYS  15  -6.007  -2.985  -2.434
  125    HE3  LYS  15           HE2      LYS  15  -4.426  -2.404  -1.915
  126    HZ1  LYS  15           HZ1      LYS  15  -4.268  -4.622  -2.824
  127    HZ2  LYS  15           HZ2      LYS  15  -5.403  -5.200  -1.712
  128    HZ3  LYS  15           HZ3      LYS  15  -3.897  -4.651  -1.173
  129    H    HIS  16           HN       HIS  16  -3.837  -6.119   2.956
  130    HA   HIS  16           HA       HIS  16  -4.396  -8.863   2.721
  131    HB2  HIS  16           HB2      HIS  16  -2.459  -7.426   4.548
  132    HB3  HIS  16           HB1      HIS  16  -2.478  -9.167   4.284
  133    HD1  HIS  16           HD1      HIS  16  -0.850  -6.211   3.128
  134    HD2  HIS  16           HD2      HIS  16  -2.104  -9.754   1.353
  135    HE1  HIS  16           HE1      HIS  16   0.460  -6.392   0.990
  136    HE2  HIS  16           HE2      HIS  16  -0.314  -8.543  -0.069
  137    H    SER  17           HN       SER  17  -4.282  -6.877   5.684
  138    HA   SER  17           HA       SER  17  -5.326  -7.069   7.695
  139    HB2  SER  17           HB2      SER  17  -7.437  -8.467   6.029
  140    HB3  SER  17           HB1      SER  17  -7.665  -7.883   7.678
  141    HG   SER  17           HG       SER  17  -8.419  -6.319   6.288
  142    H    THR  18           HN       THR  18  -3.632  -9.331   6.537
  143    HA   THR  18           HA       THR  18  -4.627 -11.727   7.750
  144    HB   THR  18           HB       THR  18  -3.101 -11.830   5.829
  145    HG1  THR  18           HG1      THR  18  -1.894 -12.924   8.169
  146   HG21  THR  18          HG21      THR  18  -0.714 -11.327   6.117
  147   HG22  THR  18          HG22      THR  18  -1.042 -10.715   7.738
  148   HG23  THR  18          HG23      THR  18  -1.710  -9.888   6.330
  149    H    SER  19           HN       SER  19  -3.760  -9.014   9.174
  150    HA   SER  19           HA       SER  19  -1.776  -9.530  11.029
  151    HB2  SER  19           HB2      SER  19  -2.960  -7.335  10.624
  152    HB3  SER  19           HB1      SER  19  -4.295  -7.955  11.596
  153    HG   SER  19           HG       SER  19  -2.796  -8.200  13.326
  154    H    ILE  20           HN       ILE  20  -1.592 -11.061  12.516
  155    HA   ILE  20           HA       ILE  20  -4.035 -12.283  13.608
  156    HB   ILE  20           HB       ILE  20  -2.563 -13.866  12.488
  157   HG12  ILE  20          HG11      ILE  20  -2.413 -14.213  15.492
  158   HG13  ILE  20          HG12      ILE  20  -3.832 -14.569  14.513
  159   HG21  ILE  20          HG21      ILE  20  -0.461 -12.662  12.743
  160   HG22  ILE  20          HG22      ILE  20  -0.309 -14.321  13.320
  161   HG23  ILE  20          HG23      ILE  20  -0.466 -12.997  14.475
  162   HD11  ILE  20          HD11      ILE  20  -1.156 -15.926  14.301
  163   HD12  ILE  20          HD12      ILE  20  -2.574 -16.281  13.314
  164   HD13  ILE  20          HD13      ILE  20  -2.608 -16.589  15.050
  165    H    GLY  21           HN       GLY  21  -4.403 -12.364  15.781
  166    HA2  GLY  21           HA2      GLY  21  -3.889 -12.175  18.065
  167    HA3  GLY  21           HA1      GLY  21  -2.325 -11.499  17.634
  168    H    LYS  22           HN       LYS  22  -3.567  -9.558  15.777
  169    HA   LYS  22           HA       LYS  22  -4.900  -7.789  17.712
  170    HB2  LYS  22           HB1      LYS  22  -2.696  -6.996  15.798
  171    HB3  LYS  22           HB2      LYS  22  -3.601  -5.889  16.821
  172    HG2  LYS  22           HG1      LYS  22  -2.718  -6.985  18.810
  173    HG3  LYS  22           HG2      LYS  22  -1.824  -8.118  17.793
  174    HD2  LYS  22           HD1      LYS  22  -0.559  -6.254  16.832
  175    HD3  LYS  22           HD2      LYS  22  -1.451  -5.124  17.852
  176    HE2  LYS  22           HE1      LYS  22   0.333  -7.353  18.826
  177    HE3  LYS  22           HE2      LYS  22   0.751  -5.640  18.788
  178    HZ1  LYS  22           HZ1      LYS  22  -1.051  -5.203  20.337
  179    HZ2  LYS  22           HZ2      LYS  22   0.036  -6.325  20.987
  180    HZ3  LYS  22           HZ3      LYS  22  -1.452  -6.847  20.374
  Start of MODEL   20
    1    H1   ACE   0           HA1      ACE   0   9.884  -0.839 -13.762
    2    H2   ACE   0           HA2      ACE   0   9.043   0.306 -12.719
    3    H3   ACE   0           HA3      ACE   0   8.505  -1.372 -12.752
    4    H    MET   1           HN       MET   1   9.717   0.557 -10.670
    5    HA   MET   1           HA       MET   1  11.407  -1.485  -9.453
    6    HB2  MET   1           HB1      MET   1  13.117   0.182  -8.820
    7    HB3  MET   1           HB2      MET   1  13.014  -0.048 -10.560
    8    HG2  MET   1           HG2      MET   1  11.699   1.999 -10.755
    9    HG3  MET   1           HG1      MET   1  11.806   2.232  -9.011
   10    HE1  MET   1           HE1      MET   1  12.625   4.460 -11.120
   11    HE2  MET   1           HE2      MET   1  14.134   5.054 -10.427
   12    HE3  MET   1           HE3      MET   1  12.764   4.694  -9.377
   13    H    ASP   2           HN       ASP   2  12.070  -0.625  -7.147
   14    HA   ASP   2           HA       ASP   2   9.734   0.719  -5.953
   15    HB2  ASP   2           HB1      ASP   2  11.227  -1.647  -4.803
   16    HB3  ASP   2           HB2      ASP   2   9.870  -0.817  -4.049
   17    H    TRP   3           HN       TRP   3  11.288   0.016  -3.350
   18    HA   TRP   3           HA       TRP   3  12.219   2.312  -2.445
   19    HB2  TRP   3           HB2      TRP   3  12.669   0.694  -0.900
   20    HB3  TRP   3           HB1      TRP   3  13.198  -0.460  -2.118
   21    HD1  TRP   3           HD1      TRP   3  15.757  -0.913  -2.154
   22    HE1  TRP   3           HE1      TRP   3  17.839   0.276  -1.212
   23    HE3  TRP   3           HE3      TRP   3  13.521   3.254  -0.398
   24    HZ2  TRP   3           HZ2      TRP   3  18.439   2.711   0.116
   25    HZ3  TRP   3           HZ3      TRP   3  14.882   5.001   0.705
   26    HH2  TRP   3           HH2      TRP   3  17.300   4.726   0.951
   27    H    GLY   4           HN       GLY   4  14.131   0.189  -4.469
   28    HA2  GLY   4           HA1      GLY   4  15.393   1.823  -6.161
   29    HA3  GLY   4           HA2      GLY   4  16.296   2.091  -4.663
   30    H    THR   5           HN       THR   5  15.496  -0.693  -3.914
   31    HA   THR   5           HA       THR   5  16.521  -2.629  -5.634
   32    HB   THR   5           HB       THR   5  18.691  -1.522  -5.310
   33    HG1  THR   5           HG1      THR   5  18.449  -3.914  -5.344
   34   HG21  THR   5          HG21      THR   5  18.268  -2.100  -2.374
   35   HG22  THR   5          HG22      THR   5  18.268  -0.504  -3.125
   36   HG23  THR   5          HG23      THR   5  19.746  -1.465  -3.098
   37    H    LEU   6           HN       LEU   6  14.480  -1.994  -3.594
   38    HA   LEU   6           HA       LEU   6  14.867  -4.276  -1.763
   39    HB2  LEU   6           HB1      LEU   6  14.736  -1.821  -0.860
   40    HB3  LEU   6           HB2      LEU   6  13.021  -1.987  -1.170
   41    HG   LEU   6           HG       LEU   6  13.812  -4.264   0.318
   42   HD11  LEU   6          HD21      LEU   6  14.842  -1.673   1.470
   43   HD12  LEU   6          HD22      LEU   6  15.818  -3.057   0.975
   44   HD13  LEU   6          HD23      LEU   6  14.711  -3.202   2.342
   45   HD21  LEU   6          HD11      LEU   6  12.273  -3.334   1.966
   46   HD22  LEU   6          HD12      LEU   6  11.617  -3.179   0.336
   47   HD23  LEU   6          HD13      LEU   6  12.319  -1.775   1.142
   48    H    GLN   7           HN       GLN   7  12.390  -4.604  -0.786
   49    HA   GLN   7           HA       GLN   7  10.418  -4.504  -2.857
   50    HB2  GLN   7           HB1      GLN   7  11.239  -6.493  -3.681
   51    HB3  GLN   7           HB2      GLN   7  11.862  -7.006  -2.120
   52    HG2  GLN   7           HG1      GLN   7  10.145  -8.484  -2.493
   53    HG3  GLN   7           HG2      GLN   7   9.401  -7.261  -1.471
   54   HE21  GLN   7          HE21      GLN   7   9.245  -5.327  -3.685
   55   HE22  GLN   7          HE22      GLN   7   7.939  -5.861  -4.679
   56    H    THR   8           HN       THR   8   8.291  -5.206  -2.074
   57    HA   THR   8           HA       THR   8   6.618  -5.333  -0.534
   58    HB   THR   8           HB       THR   8   8.452  -5.683   1.788
   59    HG1  THR   8           HG1      THR   8   9.187  -6.954  -0.138
   60   HG21  THR   8          HG21      THR   8   6.750  -7.330   2.437
   61   HG22  THR   8          HG22      THR   8   5.904  -7.050   0.915
   62   HG23  THR   8          HG23      THR   8   6.030  -5.755   2.104
   63    H    ILE   9           HN       ILE   9   8.887  -3.103  -0.742
   64    HA   ILE   9           HA       ILE   9   8.593  -1.480   1.521
   65    HB   ILE   9           HB       ILE   9  10.074  -1.372  -0.810
   66   HG12  ILE   9          HG12      ILE   9  10.818  -0.708   1.423
   67   HG13  ILE   9          HG11      ILE   9  11.186   0.543   0.242
   68   HG21  ILE   9          HG21      ILE   9   9.711   0.820  -1.776
   69   HG22  ILE   9          HG22      ILE   9   8.340   1.088  -0.700
   70   HG23  ILE   9          HG23      ILE   9   8.259  -0.169  -1.935
   71   HD11  ILE   9          HD11      ILE   9  10.381   1.509   2.310
   72   HD12  ILE   9          HD12      ILE   9   8.893   0.569   2.191
   73   HD13  ILE   9          HD13      ILE   9   9.244   1.820   0.998
   74    H    LEU  10           HN       LEU  10   6.402  -2.262  -0.829
   75    HA   LEU  10           HA       LEU  10   4.933   0.103  -1.161
   76    HB2  LEU  10           HB1      LEU  10   4.500  -2.785  -1.560
   77    HB3  LEU  10           HB2      LEU  10   3.057  -1.796  -1.451
   78    HG   LEU  10           HG       LEU  10   3.669  -2.094  -3.776
   79   HD11  LEU  10          HD21      LEU  10   2.696   0.054  -3.053
   80   HD12  LEU  10          HD22      LEU  10   3.744   0.220  -4.464
   81   HD13  LEU  10          HD23      LEU  10   4.326   0.703  -2.871
   82   HD21  LEU  10          HD11      LEU  10   6.307  -0.837  -3.032
   83   HD22  LEU  10          HD12      LEU  10   5.779  -1.249  -4.664
   84   HD23  LEU  10          HD13      LEU  10   6.052  -2.525  -3.476
   85    H    GLY  11           HN       GLY  11   4.681   1.091   0.867
   86    HA2  GLY  11           HA2      GLY  11   3.216  -0.415   2.875
   87    HA3  GLY  11           HA1      GLY  11   3.923   1.183   3.101
   88    H    ARG  12           HN       ARG  12   2.149   0.683   0.232
   89    HA   ARG  12           HA       ARG  12  -0.103   2.219   1.331
   90    HB2  ARG  12           HB1      ARG  12   0.954   2.142  -1.498
   91    HB3  ARG  12           HB2      ARG  12  -0.451   3.058  -0.968
   92    HG2  ARG  12           HG2      ARG  12   0.945   4.419   0.473
   93    HG3  ARG  12           HG1      ARG  12   2.363   3.469   0.024
   94    HD2  ARG  12           HD2      ARG  12   0.681   5.110  -1.865
   95    HD3  ARG  12           HD1      ARG  12   2.243   5.591  -1.206
   96    HE   ARG  12           HE       ARG  12   2.295   3.077  -2.599
   97   HH11  ARG  12          HH11      ARG  12   3.452   6.465  -4.390
   98   HH12  ARG  12          HH12      ARG  12   2.536   6.538  -2.923
   99   HH21  ARG  12          HH21      ARG  12   3.503   2.972  -4.531
  100   HH22  ARG  12          HH22      ARG  12   4.002   4.440  -5.304
  101    H    VAL  13           HN       VAL  13   0.470  -0.783   0.973
  102    HA   VAL  13           HA       VAL  13  -1.741  -1.545  -0.771
  103    HB   VAL  13           HB       VAL  13  -1.032  -3.859  -0.359
  104   HG11  VAL  13          HG11      VAL  13  -0.018  -2.635  -2.195
  105   HG12  VAL  13          HG12      VAL  13   1.155  -3.735  -1.470
  106   HG13  VAL  13          HG13      VAL  13   1.227  -2.008  -1.114
  107   HG21  VAL  13          HG21      VAL  13   1.018  -4.313   0.914
  108   HG22  VAL  13          HG22      VAL  13  -0.252  -3.633   1.931
  109   HG23  VAL  13          HG23      VAL  13   1.086  -2.617   1.393
  110    H    ASN  14           HN       ASN  14  -3.194  -3.338   0.077
  111    HA   ASN  14           HA       ASN  14  -3.782  -3.094   2.930
  112    HB2  ASN  14           HB1      ASN  14  -6.175  -2.700   2.485
  113    HB3  ASN  14           HB2      ASN  14  -5.174  -1.386   1.875
  114   HD21  ASN  14          HD21      ASN  14  -5.975  -1.880  -1.482
  115   HD22  ASN  14          HD22      ASN  14  -4.913  -1.129  -0.345
  116    H    LYS  15           HN       LYS  15  -4.622  -4.916   3.835
  117    HA   LYS  15           HA       LYS  15  -5.695  -7.033   2.172
  118    HB2  LYS  15           HB1      LYS  15  -3.258  -7.408   2.064
  119    HB3  LYS  15           HB2      LYS  15  -3.199  -7.479   3.819
  120    HG2  LYS  15           HG2      LYS  15  -4.620  -9.462   3.794
  121    HG3  LYS  15           HG1      LYS  15  -4.692  -9.388   2.033
  122    HD2  LYS  15           HD1      LYS  15  -2.261  -9.680   1.925
  123    HD3  LYS  15           HD2      LYS  15  -2.197  -9.769   3.687
  124    HE2  LYS  15           HE2      LYS  15  -3.673 -11.674   1.873
  125    HE3  LYS  15           HE1      LYS  15  -2.132 -11.992   2.669
  126    HZ1  LYS  15           HZ1      LYS  15  -4.710 -11.465   4.046
  127    HZ2  LYS  15           HZ2      LYS  15  -3.232 -11.774   4.808
  128    HZ3  LYS  15           HZ3      LYS  15  -3.971 -12.978   3.880
  129    H    HIS  16           HN       HIS  16  -4.956  -5.663   5.276
  130    HA   HIS  16           HA       HIS  16  -5.908  -5.859   7.328
  131    HB2  HIS  16           HB2      HIS  16  -8.172  -7.111   5.758
  132    HB3  HIS  16           HB1      HIS  16  -8.273  -6.576   7.432
  133    HD1  HIS  16           HD1      HIS  16  -8.668  -4.113   7.852
  134    HD2  HIS  16           HD2      HIS  16  -7.958  -4.989   3.853
  135    HE1  HIS  16           HE1      HIS  16  -9.203  -2.001   6.596
  136    HE2  HIS  16           HE2      HIS  16  -8.766  -2.554   4.177
  137    H    SER  17           HN       SER  17  -4.710  -7.217   8.518
  138    HA   SER  17           HA       SER  17  -4.614 -10.040   8.027
  139    HB2  SER  17           HB2      SER  17  -3.564  -8.413  10.356
  140    HB3  SER  17           HB1      SER  17  -3.194 -10.111  10.051
  141    HG   SER  17           HG       SER  17  -2.741  -8.463   7.903
  142    H    THR  18           HN       THR  18  -5.241  -8.562  11.181
  143    HA   THR  18           HA       THR  18  -6.508  -9.358  12.925
  144    HB   THR  18           HB       THR  18  -8.010  -7.787  11.753
  145    HG1  THR  18           HG1      THR  18  -8.949  -8.534  13.567
  146   HG21  THR  18          HG21      THR  18  -9.825  -8.667  10.342
  147   HG22  THR  18          HG22      THR  18  -9.090 -10.268  10.410
  148   HG23  THR  18          HG23      THR  18  -8.240  -8.941   9.619
  149    H    SER  19           HN       SER  19  -5.297 -11.482  11.384
  150    HA   SER  19           HA       SER  19  -7.276 -13.579  11.168
  151    HB2  SER  19           HB2      SER  19  -5.334 -13.389   9.599
  152    HB3  SER  19           HB1      SER  19  -4.264 -13.781  10.946
  153    HG   SER  19           HG       SER  19  -5.535 -15.460   9.371
  154    H    ILE  20           HN       ILE  20  -6.520 -15.786  12.162
  155    HA   ILE  20           HA       ILE  20  -6.708 -15.503  14.981
  156    HB   ILE  20           HB       ILE  20  -6.470 -17.962  15.051
  157   HG12  ILE  20          HG12      ILE  20  -6.158 -17.743  12.046
  158   HG13  ILE  20          HG11      ILE  20  -4.855 -18.139  13.162
  159   HG21  ILE  20          HG21      ILE  20  -8.652 -16.949  14.678
  160   HG22  ILE  20          HG22      ILE  20  -8.512 -18.471  13.798
  161   HG23  ILE  20          HG23      ILE  20  -8.364 -16.938  12.937
  162   HD11  ILE  20          HD11      ILE  20  -5.718 -20.133  12.104
  163   HD12  ILE  20          HD12      ILE  20  -7.339 -19.768  12.691
  164   HD13  ILE  20          HD13      ILE  20  -6.055 -20.160  13.834
  165    H    GLY  21           HN       GLY  21  -5.179 -16.952  16.386
  166    HA2  GLY  21           HA2      GLY  21  -2.918 -17.682  16.774
  167    HA3  GLY  21           HA1      GLY  21  -2.381 -16.514  15.576
  168    H    LYS  22           HN       LYS  22  -4.656 -14.925  17.277
  169    HA   LYS  22           HA       LYS  22  -2.943 -14.175  19.517
  170    HB2  LYS  22           HB1      LYS  22  -2.296 -12.666  17.687
  171    HB3  LYS  22           HB2      LYS  22  -3.974 -12.177  17.495
  172    HG2  LYS  22           HG1      LYS  22  -3.962 -11.227  19.743
  173    HG3  LYS  22           HG2      LYS  22  -2.281 -11.725  19.945
  174    HD2  LYS  22           HD2      LYS  22  -2.332  -9.395  19.356
  175    HD3  LYS  22           HD1      LYS  22  -1.682 -10.310  17.994
  176    HE2  LYS  22           HE2      LYS  22  -3.260  -8.613  17.237
  177    HE3  LYS  22           HE1      LYS  22  -3.860 -10.236  16.896
  178    HZ1  LYS  22           HZ1      LYS  22  -5.603  -8.822  17.777
  179    HZ2  LYS  22           HZ2      LYS  22  -4.697  -8.524  19.175
  180    HZ3  LYS  22           HZ3      LYS  22  -5.269 -10.083  18.856