*HEADER    PROTEIN BINDING                         20-JAN-06   2FRW              
*TITLE     SOLUTION STRUCTURE OF THE SECOND SH3 DOMAIN OF HUMAN                  
*TITLE    2 ADAPTOR PROTEIN NCK2                                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CYTOPLASMIC PROTEIN NCK2;                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: SH3_2;                                                     
*COMPND   5 SYNONYM: NCK ADAPTOR PROTEIN 2, SH2/SH3 ADAPTOR PROTEIN              
*COMPND   6 NCK-BETA, NCK-2;                                                     
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET32-A                                   
*KEYWDS    SH3                                                                   
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    J.LIU                                                                 
*REVDAT   1   20-JUN-06 2FRW    0                                                


C13_and_N15.tbl0000664000076400007640000031571210317210114013311 0ustar  dudududu00000000000000assign (resid 9 and name HN) (resid 9 and name HA1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.733
assign (resid 9 and name HN) (resid 9 and name HA2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.735
assign (resid 10 and name HN) (resid 9 and name HA2) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.367
assign (resid 10 and name HN) (resid 10 and name HA) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.326
assign (resid 10 and name HN) (resid 10 and name HB1) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.364
assign (resid 10 and name HN) (resid 11 and name HG2#) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.366
assign (resid 11 and name HN) (resid 10 and name HA) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.292
assign (resid 11 and name HN) (resid 10 and name HB2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.294
assign (resid 11 and name HN) (resid 11 and name HA) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.302
assign (resid 11 and name HN) (resid 11 and name HB) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.293
assign (resid 11 and name HN) (resid 11 and name HG2#) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.303
assign (resid 13 and name HN) (resid 11 and name HA) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.462
assign (resid 13 and name HN) (resid 13 and name HB1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.892
assign (resid 13 and name HN) (resid 13 and name HB2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.893
assign (resid 14 and name HN) (resid 11 and name HA) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.740
assign (resid 14 and name HN) (resid 13 and name HA) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.743
assign (resid 14 and name HN) (resid 13 and name HB1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.757
assign (resid 14 and name HN) (resid 13 and name HB2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.746
assign (resid 14 and name HN) (resid 14 and name HA1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.744
assign (resid 14 and name HN) (resid 14 and name HA2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.745
assign (resid 14 and name HN) (resid 15 and name HA) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.756
assign (resid 15 and name HN) (resid 14 and name HA1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.631
assign (resid 15 and name HN) (resid 14 and name HA2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.627
assign (resid 14 and name HN) (resid 15 and name HN) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.807
assign (resid 15 and name HN) (resid 15 and name HA) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.630
assign (resid 15 and name HN) (resid 15 and name HB1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.632
assign (resid 15 and name HN) (resid 15 and name HB2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.633
assign (resid 15 and name HN) (resid 16 and name HD1#) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.634
assign (resid 16 and name HN) (resid 15 and name HB1) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.246
assign (resid 16 and name HN) (resid 15 and name HB2) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.254
assign (resid 16 and name HN) (resid 15 and name HN) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.252
assign (resid 16 and name HN) (resid 16 and name HA) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.855
assign (resid 16 and name HN) (resid 16 and name HB) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.256
assign (resid 16 and name HN) (resid 16 and name HD1#) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.250
assign (resid 16 and name HN) (resid 16 and name HG11) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.248
assign (resid 16 and name HN) (resid 16 and name HG12) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.257
assign (resid 16 and name HN) (resid 16 and name HG2#) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.249
assign (resid 16 and name HN) (resid 17 and name HB1) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.255
assign (resid 16 and name HN) (resid 17 and name HD1) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.253
assign (resid 18 and name HN) (resid 17 and name HD2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.335
!assign (resid 18 and name HN) (resid 17 and name HG2) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.336
assign (resid 18 and name HN) (resid 18 and name HA) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.321
assign (resid 18 and name HN) (resid 18 and name HB#) 2.800 1.0 0.4 !   sh3_2_hnoesy_new.308
assign (resid 19 and name HN) (resid 18 and name HB#) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.258
assign (resid 19 and name HN) (resid 19 and name HA) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.848
assign (resid 19 and name HN) (resid 19 and name HB1) 2.800 1.0 0.8 !   sh3_2_hnoesy_new.847
assign (resid 19 and name HN) (resid 19 and name HB2) 2.800 1.0 0.8 !   sh3_2_hnoesy_new.264
assign (resid 19 and name HN) (resid 20 and name HA) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.259
assign (resid 19 and name HN) (resid 20 and name HB) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.268
assign (resid 19 and name HN) (resid 20 and name HG2#) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.271
assign (resid 20 and name HN) (resid 19 and name HA) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.146
assign (resid 20 and name HN) (resid 19 and name HB1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.148
assign (resid 20 and name HN) (resid 19 and name HB2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.149
assign (resid 20 and name HN) (resid 19 and name HN) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.141
assign (resid 20 and name HN) (resid 20 and name HA) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.150
assign (resid 20 and name HN) (resid 20 and name HB) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.151
assign (resid 20 and name HN) (resid 21 and name HG1) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.829
assign (resid 21 and name HN) (resid 20 and name HA) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.10
assign (resid 21 and name HN) (resid 20 and name HB) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.20
!assign (resid 21 and name HN) (resid 20 and name HG1#) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.21
!assign (resid 20 and name HN) (resid 21 and name HN) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.832
assign (resid 21 and name HN) (resid 21 and name HA) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.18
assign (resid 21 and name HN) (resid 21 and name HD1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.820
assign (resid 21 and name HN) (resid 21 and name HG1) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.905
assign (resid 21 and name HN) (resid 21 and name HG2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.906
!assign (resid 22 and name HN) (resid 20 and name HA) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.616
assign (resid 22 and name HN) (resid 20 and name HB) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.621
assign (resid 21 and name HN) (resid 22 and name HB1) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.29
assign (resid 22 and name HN) (resid 21 and name HA) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.615
assign (resid 22 and name HN) (resid 21 and name HB2) 2.800 1.0 0.8 !   sh3_2_hnoesy_new.611
assign (resid 22 and name HN) (resid 21 and name HD1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.622
assign (resid 21 and name HN) (resid 22 and name HN) 2.800 1.0 0.8 !   sh3_2_hnoesy_new.26
assign (resid 22 and name HN) (resid 22 and name HA) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.610
assign (resid 22 and name HN) (resid 22 and name HB1) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.619
assign (resid 22 and name HN) (resid 22 and name HB2) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.620
!assign (resid 23 and name HN) (resid 21 and name HB2) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.444
!assign (resid 23 and name HN) (resid 21 and name HD2) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.431
assign (resid 23 and name HN) (resid 22 and name HA) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.438
!assign (resid 23 and name HN) (resid 22 and name HB1) 2.800 1.0 0.4 !   sh3_2_hnoesy_new.440
assign (resid 23 and name HN) (resid 22 and name HB2) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.441
assign (resid 23 and name HN) (resid 22 and name HN) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.436
assign (resid 23 and name HN) (resid 23 and name HA) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.439
assign (resid 23 and name HN) (resid 23 and name HB#) 2.800 1.0 0.4 !   sh3_2_hnoesy_new.443
assign (resid 24 and name HN) (resid 23 and name HA) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.476
assign (resid 24 and name HN) (resid 23 and name HB#) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.480
assign (resid 24 and name HN) (resid 24 and name HA) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.474
assign (resid 24 and name HN) (resid 24 and name HB1) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.477
assign (resid 24 and name HN) (resid 24 and name HB2) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.478
assign (resid 24 and name HN) (resid 25 and name HG1#) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.482
assign (resid 25 and name HN) (resid 24 and name HA) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.31
assign (resid 25 and name HN) (resid 24 and name HB1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.23
assign (resid 25 and name HN) (resid 24 and name HB2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.24
!assign (resid 25 and name HN) (resid 24 and name HN) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.22
assign (resid 25 and name HN) (resid 25 and name HA) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.32
!assign (resid 25 and name HN) (resid 25 and name HB) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.13
assign (resid 25 and name HN) (resid 25 and name HG2#) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.14
assign (resid 25 and name HN) (resid 26 and name HB#) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.826
assign (resid 26 and name HN) (resid 25 and name HA) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.114
assign (resid 26 and name HN) (resid 25 and name HB) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.117
!assign (resid 26 and name HN) (resid 25 and name HG2#) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.119
assign (resid 26 and name HN) (resid 25 and name HN) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.108
assign (resid 26 and name HN) (resid 26 and name HA) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.112
!assign (resid 26 and name HN) (resid 26 and name HB#) 2.800 1.0 0.4 !   sh3_2_hnoesy_new.118
!assign (resid 27 and name HN) (resid 25 and name HG1#) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.309
assign (resid 26 and name HN) (resid 27 and name HG1) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.115
assign (resid 27 and name HN) (resid 26 and name HA) 2.800 1.0 0.4 !   sh3_2_hnoesy_new.390
assign (resid 27 and name HN) (resid 26 and name HB#) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.410
assign (resid 26 and name HN) (resid 27 and name HN) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.106
assign (resid 27 and name HN) (resid 27 and name HA) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.406
assign (resid 27 and name HN) (resid 27 and name HB1) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.322
assign (resid 27 and name HN) (resid 27 and name HG1) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.408
assign (resid 27 and name HN) (resid 27 and name HG2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.407
assign (resid 27 and name HN) (resid 28 and name HA) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.422
!assign (resid 27 and name HN) (resid 28 and name HB1) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.424
assign (resid 28 and name HN) (resid 27 and name HA) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.592
assign (resid 28 and name HN) (resid 27 and name HB1) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.597
assign (resid 28 and name HN) (resid 27 and name HB2) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.883
assign (resid 28 and name HN) (resid 27 and name HG2) 5.000 1.6 1.6 !   sh3_2_hnoesy_new.595
!assign (resid 27 and name HN) (resid 28 and name HN) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.404
assign (resid 28 and name HN) (resid 28 and name HA) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.882
assign (resid 28 and name HN) (resid 28 and name HB1) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.598
assign (resid 28 and name HN) (resid 28 and name HD1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.594
!assign (resid 28 and name HN) (resid 28 and name HG1) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.599
assign (resid 29 and name HN) (resid 28 and name HA) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.456
assign (resid 29 and name HN) (resid 28 and name HB1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.457
assign (resid 29 and name HN) (resid 28 and name HB2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.461
assign (resid 29 and name HN) (resid 29 and name HA) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.453
assign (resid 29 and name HN) (resid 29 and name HB1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.891
assign (resid 30 and name HN) (resid 28 and name HB1) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.607
assign (resid 30 and name HN) (resid 28 and name HB2) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.608
assign (resid 30 and name HN) (resid 29 and name HA) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.602
assign (resid 30 and name HN) (resid 29 and name HB1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.605
assign (resid 30 and name HN) (resid 30 and name HA) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.606
assign (resid 30 and name HN) (resid 30 and name HB1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.604
assign (resid 30 and name HN) (resid 30 and name HB2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.603
!assign (resid 26 and name HN) (resid 31 and name HB1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.116
assign (resid 27 and name HN) (resid 31 and name HB1) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.409
!assign (resid 28 and name HN) (resid 31 and name HB1) 2.800 1.0 0.4 !   sh3_2_hnoesy_new.596
assign (resid 31 and name HN) (resid 28 and name HB1) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.541
assign (resid 31 and name HN) (resid 28 and name HN) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.862
assign (resid 31 and name HN) (resid 29 and name HA) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.536
assign (resid 31 and name HN) (resid 29 and name HN) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.867
assign (resid 31 and name HN) (resid 30 and name HA) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.535
assign (resid 31 and name HN) (resid 30 and name HB1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.864
assign (resid 31 and name HN) (resid 30 and name HB2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.537
assign (resid 31 and name HN) (resid 30 and name HN) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.533
assign (resid 31 and name HN) (resid 31 and name HA) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.534
assign (resid 31 and name HN) (resid 31 and name HB1) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.540
assign (resid 31 and name HN) (resid 31 and name HG1) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.538
assign (resid 31 and name HN) (resid 31 and name HG2) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.539
!assign (resid 32 and name HN) (resid 26 and name HA) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.152
assign (resid 32 and name HN) (resid 26 and name HB#) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.163
!assign (resid 27 and name HN) (resid 32 and name HA) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.334
!assign (resid 27 and name HN) (resid 32 and name HB2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.337
assign (resid 31 and name HN) (resid 32 and name HA) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.865
assign (resid 31 and name HN) (resid 32 and name HG) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.542
assign (resid 32 and name HN) (resid 31 and name HA) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.155
assign (resid 32 and name HN) (resid 31 and name HB2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.161
!assign (resid 32 and name HN) (resid 31 and name HG1) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.159
assign (resid 32 and name HN) (resid 31 and name HG2) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.160
assign (resid 31 and name HN) (resid 32 and name HN) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.866
assign (resid 32 and name HN) (resid 32 and name HA) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.156
assign (resid 32 and name HN) (resid 32 and name HB2) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.162
assign (resid 32 and name HN) (resid 32 and name HD1#) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.164
assign (resid 32 and name HN) (resid 32 and name HD2#) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.165
assign (resid 32 and name HN) (resid 32 and name HG) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.833
!assign (resid 26 and name HN) (resid 33 and name HA) 2.800 1.0 0.4 !   sh3_2_hnoesy_new.111
!assign (resid 33 and name HN) (resid 26 and name HB#) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.527
!assign (resid 32 and name HN) (resid 33 and name HB1) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.157
assign (resid 33 and name HN) (resid 32 and name HA) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.521
!assign (resid 33 and name HN) (resid 32 and name HB2) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.525
assign (resid 33 and name HN) (resid 32 and name HD2#) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.528
!assign (resid 33 and name HN) (resid 32 and name HG) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.526
assign (resid 33 and name HN) (resid 32 and name HN) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.783
assign (resid 33 and name HN) (resid 33 and name HA) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.523
assign (resid 33 and name HN) (resid 33 and name HB1) 2.800 1.0 0.4 !   sh3_2_hnoesy_new.524
!assign (resid 33 and name HN) (resid 33 and name HB2) 2.800 1.0 0.4 !   sh3_2_hnoesy_new.530
!assign (resid 24 and name HN) (resid 34 and name HA) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.475
assign (resid 24 and name HN) (resid 34 and name HB1) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.481
assign (resid 24 and name HN) (resid 34 and name HD1#) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.483
assign (resid 24 and name HN) (resid 34 and name HD2#) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.484
!assign (resid 24 and name HN) (resid 34 and name HG) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.479
assign (resid 24 and name HN) (resid 34 and name HN) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.472
assign (resid 26 and name HN) (resid 34 and name HN) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.105
assign (resid 33 and name HN) (resid 34 and name HD2#) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.529
assign (resid 33 and name HN) (resid 34 and name HN) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.784
assign (resid 34 and name HN) (resid 34 and name HA) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.280
!assign (resid 35 and name HN) (resid 21 and name HB2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.844
!assign (resid 33 and name HN) (resid 35 and name HN) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.463
assign (resid 35 and name HN) (resid 34 and name HA) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.194
assign (resid 35 and name HN) (resid 34 and name HB1) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.189
assign (resid 35 and name HN) (resid 34 and name HB2) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.196
assign (resid 35 and name HN) (resid 34 and name HD1#) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.200
assign (resid 35 and name HN) (resid 34 and name HD2#) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.201
assign (resid 35 and name HN) (resid 34 and name HG) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.838
assign (resid 35 and name HN) (resid 34 and name HN) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.837
assign (resid 35 and name HN) (resid 35 and name HA) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.195
assign (resid 35 and name HN) (resid 35 and name HB) 2.800 1.0 0.4 !   sh3_2_hnoesy_new.197
assign (resid 35 and name HN) (resid 35 and name HG2#) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.199
!assign (resid 36 and name HN) (resid 21 and name HB2) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.8
!assign (resid 22 and name HN) (resid 36 and name HG2) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.612
!assign (resid 36 and name HN) (resid 22 and name HB1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.1
assign (resid 23 and name HN) (resid 36 and name HG2) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.445
assign (resid 23 and name HN) (resid 36 and name HN) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.434
assign (resid 36 and name HN) (resid 35 and name HB) 3.600 1.0 0.8 !   sh3_2_hnoesy_new.9
assign (resid 36 and name HN) (resid 35 and name HG1#) 2.800 1.0 0.4 !   sh3_2_hnoesy_new.811
assign (resid 35 and name HN) (resid 36 and name HN) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.181
assign (resid 36 and name HN) (resid 36 and name HA) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.5
assign (resid 36 and name HN) (resid 36 and name HD2) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.3
assign (resid 36 and name HN) (resid 36 and name HE1) 2.800 1.0 0.4 !   sh3_2_hnoesy_new.6
assign (resid 37 and name HN) (resid 35 and name HB) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.650
assign (resid 37 and name HN) (resid 36 and name HB2) 2.800 1.0 0.8 !   sh3_2_hnoesy_new.649
!assign (resid 37 and name HN) (resid 36 and name HD2) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.652
assign (resid 37 and name HN) (resid 36 and name HN) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.788
assign (resid 37 and name HN) (resid 37 and name HA1) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.648
assign (resid 37 and name HN) (resid 37 and name HA2) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.669
assign (resid 38 and name HN) (resid 19 and name HA) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.818
!assign (resid 20 and name HN) (resid 38 and name HN) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.143
!assign (resid 38 and name HN) (resid 21 and name HB2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.641
!assign (resid 38 and name HN) (resid 33 and name HA) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.635
assign (resid 38 and name HN) (resid 35 and name HG1#) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.642
!assign (resid 38 and name HN) (resid 36 and name HB2) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.653
!assign (resid 38 and name HN) (resid 36 and name HG2) 2.800 1.0 0.8 !   sh3_2_hnoesy_new.625
assign (resid 38 and name HN) (resid 36 and name HN) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.787
assign (resid 38 and name HN) (resid 37 and name HA1) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.636
assign (resid 38 and name HN) (resid 37 and name HA2) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.638
assign (resid 38 and name HN) (resid 37 and name HN) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.643
assign (resid 38 and name HN) (resid 38 and name HA) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.644
assign (resid 38 and name HN) (resid 38 and name HB1) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.646
assign (resid 38 and name HN) (resid 38 and name HB2) 2.800 1.0 0.4 !   sh3_2_hnoesy_new.637
assign (resid 18 and name HN) (resid 39 and name HA) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.856
!assign (resid 20 and name HN) (resid 39 and name HA) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.145
assign (resid 20 and name HN) (resid 39 and name HD1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.147
assign (resid 39 and name HN) (resid 35 and name HG1#) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.575
!assign (resid 36 and name HN) (resid 39 and name HD1) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.0
!assign (resid 36 and name HN) (resid 39 and name HG1) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.7
!assign (resid 37 and name HN) (resid 39 and name HD1) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.656
!assign (resid 38 and name HN) (resid 39 and name HD1) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.640
assign (resid 38 and name HN) (resid 39 and name HG2) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.817
assign (resid 39 and name HN) (resid 38 and name HA) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.579
!assign (resid 39 and name HN) (resid 38 and name HB1) 2.800 1.0 0.4 !   sh3_2_hnoesy_new.577
assign (resid 39 and name HN) (resid 38 and name HB2) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.876
assign (resid 38 and name HN) (resid 39 and name HN) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.785
assign (resid 39 and name HN) (resid 39 and name HA) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.875
assign (resid 39 and name HN) (resid 39 and name HD1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.572
!assign (resid 39 and name HN) (resid 39 and name HG1) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.573
assign (resid 39 and name HN) (resid 39 and name HG2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.574
assign (resid 40 and name HN) (resid 17 and name HG2) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.896
assign (resid 18 and name HN) (resid 40 and name HB) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.323
assign (resid 18 and name HN) (resid 40 and name HG1#) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.338
!assign (resid 40 and name HN) (resid 18 and name HA) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.485
assign (resid 40 and name HN) (resid 18 and name HB#) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.487
assign (resid 39 and name HN) (resid 40 and name HG2#) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.578
assign (resid 40 and name HN) (resid 39 and name HA) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.511
assign (resid 40 and name HN) (resid 39 and name HD2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.503
assign (resid 40 and name HN) (resid 39 and name HG2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.504
assign (resid 40 and name HN) (resid 39 and name HN) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.502
assign (resid 40 and name HN) (resid 40 and name HA) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.506
assign (resid 40 and name HN) (resid 40 and name HB) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.486
!assign (resid 40 and name HN) (resid 40 and name HG1#) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.505
assign (resid 41 and name HN) (resid 40 and name HA) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.470
assign (resid 41 and name HN) (resid 40 and name HB) 2.800 1.0 0.8 !   sh3_2_hnoesy_new.496
assign (resid 41 and name HN) (resid 40 and name HG1#) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.498
assign (resid 40 and name HN) (resid 41 and name HN) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.501
assign (resid 41 and name HN) (resid 41 and name HA) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.493
assign (resid 41 and name HN) (resid 41 and name HB) 2.800 1.0 0.8 !   sh3_2_hnoesy_new.499
assign (resid 41 and name HN) (resid 41 and name HG1) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.497
assign (resid 16 and name HN) (resid 42 and name HG1#) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.247
assign (resid 16 and name HN) (resid 42 and name HG2#) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.251
assign (resid 42 and name HN) (resid 16 and name HN) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.70
assign (resid 42 and name HN) (resid 17 and name HA) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.76
assign (resid 42 and name HN) (resid 18 and name HN) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.69
!assign (resid 41 and name HN) (resid 42 and name HB) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.894
!assign (resid 41 and name HN) (resid 42 and name HG1#) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.895
assign (resid 42 and name HN) (resid 41 and name HA) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.62
assign (resid 42 and name HN) (resid 41 and name HB) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.71
assign (resid 42 and name HN) (resid 41 and name HG1) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.79
assign (resid 41 and name HN) (resid 42 and name HN) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.488
assign (resid 42 and name HN) (resid 42 and name HA) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.72
assign (resid 42 and name HN) (resid 42 and name HB) 2.800 1.0 0.4 !   sh3_2_hnoesy_new.77
assign (resid 42 and name HN) (resid 42 and name HG1#) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.74
assign (resid 42 and name HN) (resid 42 and name HG2#) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.80
assign (resid 43 and name HN) (resid 42 and name HA) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.171
assign (resid 43 and name HN) (resid 42 and name HG1#) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.179
assign (resid 43 and name HN) (resid 42 and name HG2#) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.176
assign (resid 43 and name HN) (resid 43 and name HB1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.174
assign (resid 43 and name HN) (resid 43 and name HB2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.178
assign (resid 43 and name HN) (resid 43 and name HG1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.172
assign (resid 43 and name HN) (resid 43 and name HG2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.173
!assign (resid 44 and name HN) (resid 42 and name HG2#) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.570
assign (resid 44 and name HN) (resid 43 and name HB1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.566
assign (resid 44 and name HN) (resid 43 and name HB2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.568
assign (resid 44 and name HN) (resid 43 and name HG2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.869
!assign (resid 44 and name HN) (resid 43 and name HN) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.561
assign (resid 44 and name HN) (resid 44 and name HA) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.564
assign (resid 44 and name HN) (resid 44 and name HB1) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.567
assign (resid 45 and name HN) (resid 44 and name HG1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.289
assign (resid 45 and name HN) (resid 44 and name HG2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.290
assign (resid 45 and name HN) (resid 45 and name HA) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.297
assign (resid 45 and name HN) (resid 45 and name HD2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.298
assign (resid 45 and name HN) (resid 45 and name HG1) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.299
assign (resid 45 and name HN) (resid 45 and name HG2) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.300
assign (resid 46 and name HN) (resid 45 and name HA) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.358
assign (resid 46 and name HN) (resid 45 and name HG1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.361
assign (resid 46 and name HN) (resid 45 and name HG2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.356
assign (resid 46 and name HN) (resid 46 and name HA) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.357
assign (resid 46 and name HN) (resid 46 and name HB1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.359
assign (resid 46 and name HN) (resid 46 and name HB2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.360
assign (resid 48 and name HN) (resid 46 and name HA) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.325
assign (resid 48 and name HN) (resid 46 and name HB1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.329
assign (resid 48 and name HN) (resid 46 and name HB2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.330
assign (resid 48 and name HN) (resid 48 and name HA) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.328
assign (resid 48 and name HN) (resid 48 and name HB1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.331
assign (resid 48 and name HN) (resid 48 and name HB2) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.332
assign (resid 49 and name HN) (resid 47 and name HA) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.56
assign (resid 49 and name HN) (resid 48 and name HA) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.50
assign (resid 49 and name HN) (resid 48 and name HB2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.52
assign (resid 49 and name HN) (resid 49 and name HA1) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.60
assign (resid 49 and name HN) (resid 49 and name HA2) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.53
!assign (resid 50 and name HD1) (resid 47 and name HA) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.43
assign (resid 49 and name HN) (resid 50 and name HB1) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.903
assign (resid 49 and name HN) (resid 50 and name HD1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.55
!assign (resid 50 and name HE1) (resid 49 and name HA2) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.40
assign (resid 50 and name HN) (resid 49 and name HA1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.208
assign (resid 50 and name HN) (resid 49 and name HA2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.204
assign (resid 49 and name HN) (resid 50 and name HN) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.49
assign (resid 50 and name HE1) (resid 50 and name HB1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.33
assign (resid 50 and name HE1) (resid 50 and name HB2) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.35
assign (resid 50 and name HE1) (resid 50 and name HD1) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.37
assign (resid 50 and name HN) (resid 50 and name HA) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.202
assign (resid 50 and name HN) (resid 50 and name HB1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.209
assign (resid 50 and name HN) (resid 50 and name HB2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.203
assign (resid 50 and name HN) (resid 50 and name HD1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.207
assign (resid 50 and name HE1) (resid 50 and name HN) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.36
assign (resid 51 and name HE1) (resid 45 and name HG1) 3.400 1.6 1.6 !   sh3_2_hnoesy_new.99
assign (resid 51 and name HE1) (resid 45 and name HG2) 3.400 1.6 1.6 !   sh3_2_hnoesy_new.100
assign (resid 46 and name HN) (resid 51 and name HD1) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.363
assign (resid 51 and name HE1) (resid 46 and name HB1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.95
assign (resid 51 and name HE1) (resid 46 and name HN) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.92
!assign (resid 50 and name HE1) (resid 51 and name HD1) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.34
!assign (resid 51 and name HE1) (resid 50 and name HB1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.96
assign (resid 51 and name HE1) (resid 51 and name HD1) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.68
assign (resid 51 and name HN) (resid 51 and name HA) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.243
!assign (resid 52 and name HN) (resid 42 and name HG2#) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.347
!assign (resid 43 and name HN) (resid 52 and name HA) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.169
!assign (resid 43 and name HN) (resid 52 and name HB1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.175
!assign (resid 52 and name HN) (resid 43 and name HB1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.344
assign (resid 44 and name HN) (resid 52 and name HB1) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.569
assign (resid 52 and name HN) (resid 44 and name HN) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.339
!assign (resid 45 and name HN) (resid 52 and name HB1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.296
!assign (resid 51 and name HE1) (resid 52 and name HA) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.816
!assign (resid 51 and name HE1) (resid 52 and name HB2) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.102
assign (resid 52 and name HN) (resid 51 and name HB1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.345
assign (resid 52 and name HN) (resid 51 and name HD1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.340
assign (resid 52 and name HN) (resid 52 and name HA) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.342
assign (resid 52 and name HN) (resid 52 and name HB1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.346
assign (resid 43 and name HN) (resid 53 and name HA1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.168
assign (resid 43 and name HN) (resid 53 and name HA2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.170
assign (resid 44 and name HN) (resid 53 and name HA1) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.870
assign (resid 53 and name HN) (resid 44 and name HB2) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.654
assign (resid 53 and name HN) (resid 52 and name HA) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.666
assign (resid 53 and name HN) (resid 52 and name HB1) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.667
assign (resid 53 and name HN) (resid 52 and name HD1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.659
assign (resid 53 and name HN) (resid 52 and name HG2) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.668
assign (resid 53 and name HN) (resid 53 and name HA1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.665
assign (resid 53 and name HN) (resid 53 and name HA2) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.658
assign (resid 41 and name HN) (resid 54 and name HA) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.492
assign (resid 41 and name HN) (resid 54 and name HB2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.494
assign (resid 41 and name HN) (resid 54 and name HN) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.489
assign (resid 42 and name HN) (resid 54 and name HB2) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.73
assign (resid 54 and name HN) (resid 53 and name HA1) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.721
assign (resid 54 and name HN) (resid 53 and name HA2) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.722
!assign (resid 53 and name HN) (resid 54 and name HN) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.670
assign (resid 54 and name HN) (resid 54 and name HA) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.808
assign (resid 54 and name HN) (resid 54 and name HB1) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.890
assign (resid 54 and name HN) (resid 54 and name HB2) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.723
assign (resid 55 and name HN) (resid 40 and name HG1#) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.219
assign (resid 41 and name HN) (resid 55 and name HB1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.471
assign (resid 41 and name HN) (resid 55 and name HB2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.495
assign (resid 55 and name HN) (resid 41 and name HG1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.222
assign (resid 55 and name HN) (resid 54 and name HA) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.220
assign (resid 55 and name HN) (resid 54 and name HB1) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.215
assign (resid 55 and name HN) (resid 54 and name HB2) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.236
assign (resid 55 and name HN) (resid 55 and name HA) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.221
assign (resid 55 and name HN) (resid 55 and name HB1) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.216
assign (resid 55 and name HN) (resid 55 and name HB2) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.217
assign (resid 39 and name HN) (resid 56 and name HD22) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.872
assign (resid 56 and name HD2#) (resid 40 and name HA) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.752
assign (resid 41 and name HN) (resid 56 and name HD22) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.491
!assign (resid 55 and name HN) (resid 56 and name HB2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.238
!assign (resid 55 and name HN) (resid 56 and name HD22) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.232
assign (resid 56 and name HN) (resid 55 and name HA) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.65
assign (resid 56 and name HD2#) (resid 56 and name HA) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.753
assign (resid 56 and name HD2#) (resid 56 and name HB1) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.754
assign (resid 56 and name HD2#) (resid 56 and name HB2) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.755
assign (resid 56 and name HD22) (resid 56 and name HA) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.748
!assign (resid 56 and name HD22) (resid 56 and name HB1) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.749
!assign (resid 56 and name HD22) (resid 56 and name HB2) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.750
assign (resid 56 and name HD22) (resid 56 and name HD2#) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.737
assign (resid 56 and name HN) (resid 56 and name HA) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.66
assign (resid 56 and name HN) (resid 56 and name HD22) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.61
assign (resid 55 and name HN) (resid 57 and name HA1) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.235
assign (resid 55 and name HN) (resid 57 and name HN) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.214
assign (resid 57 and name HN) (resid 56 and name HB1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.123
assign (resid 57 and name HN) (resid 56 and name HB2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.124
assign (resid 56 and name HN) (resid 57 and name HN) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.64
assign (resid 57 and name HN) (resid 57 and name HA1) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.125
assign (resid 57 and name HN) (resid 57 and name HA2) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.120
!assign (resid 58 and name HE21) (resid 53 and name HA1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.696
!assign (resid 53 and name HN) (resid 58 and name HE21) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.662
!assign (resid 54 and name HN) (resid 58 and name HE21) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.720
!assign (resid 54 and name HN) (resid 58 and name HG2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.724
assign (resid 58 and name HN) (resid 54 and name HA) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.393
assign (resid 55 and name HN) (resid 58 and name HA) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.839
assign (resid 55 and name HN) (resid 58 and name HB2) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.237
assign (resid 58 and name HN) (resid 55 and name HA) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.394
!assign (resid 58 and name HN) (resid 55 and name HN) 2.800 1.0 0.4 !   sh3_2_hnoesy_new.391
assign (resid 58 and name HN) (resid 56 and name HB1) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.397
assign (resid 58 and name HN) (resid 56 and name HB2) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.400
assign (resid 58 and name HN) (resid 57 and name HA1) 2.800 1.0 0.4 !   sh3_2_hnoesy_new.395
assign (resid 58 and name HN) (resid 57 and name HA2) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.396
assign (resid 57 and name HN) (resid 58 and name HN) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.122
assign (resid 58 and name HE21) (resid 58 and name HA) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.699
assign (resid 58 and name HE21) (resid 58 and name HE22) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.689
assign (resid 58 and name HE21) (resid 58 and name HG1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.701
assign (resid 58 and name HE22) (resid 58 and name HG1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.692
assign (resid 58 and name HE21) (resid 58 and name HG2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.702
assign (resid 58 and name HE22) (resid 58 and name HG2) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.693
assign (resid 58 and name HN) (resid 58 and name HA) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.389
!assign (resid 58 and name HN) (resid 58 and name HB2) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.412
assign (resid 58 and name HN) (resid 58 and name HG1) 3.400 1.6 1.6 !   sh3_2_hnoesy_new.398
assign (resid 58 and name HN) (resid 58 and name HG2) 3.400 1.6 1.6 !   sh3_2_hnoesy_new.399
!assign (resid 59 and name HN) (resid 32 and name HD1#) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.316
!assign (resid 53 and name HN) (resid 59 and name HA) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.657
!assign (resid 53 and name HN) (resid 59 and name HD1#) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.660
assign (resid 54 and name HN) (resid 59 and name HD1#) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.727
assign (resid 54 and name HN) (resid 59 and name HG12) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.725
assign (resid 59 and name HN) (resid 54 and name HA) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.305
assign (resid 55 and name HN) (resid 59 and name HA) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.233
assign (resid 55 and name HN) (resid 59 and name HB) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.241
assign (resid 55 and name HN) (resid 59 and name HD1#) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.814
assign (resid 55 and name HN) (resid 59 and name HG11) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.239
assign (resid 55 and name HN) (resid 59 and name HG12) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.242
assign (resid 58 and name HN) (resid 59 and name HD1#) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.402
assign (resid 59 and name HN) (resid 58 and name HA) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.306
assign (resid 59 and name HN) (resid 58 and name HB2) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.315
assign (resid 59 and name HN) (resid 58 and name HG1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.313
assign (resid 59 and name HN) (resid 58 and name HG2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.314
assign (resid 59 and name HN) (resid 58 and name HN) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.311
assign (resid 59 and name HN) (resid 59 and name HA) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.312
assign (resid 59 and name HN) (resid 59 and name HB) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.307
assign (resid 59 and name HN) (resid 59 and name HD1#) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.318
assign (resid 59 and name HN) (resid 59 and name HG11) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.317
!assign (resid 60 and name HN) (resid 51 and name HB1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.713
!assign (resid 60 and name HN) (resid 51 and name HB2) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.715
assign (resid 60 and name HN) (resid 52 and name HG2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.708
assign (resid 53 and name HN) (resid 60 and name HA2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.888
assign (resid 53 and name HN) (resid 60 and name HN) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.799
assign (resid 60 and name HN) (resid 59 and name HA) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.717
assign (resid 60 and name HN) (resid 59 and name HB) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.714
assign (resid 60 and name HN) (resid 59 and name HG11) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.716
assign (resid 59 and name HN) (resid 60 and name HN) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.796
assign (resid 60 and name HN) (resid 60 and name HA1) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.711
assign (resid 60 and name HN) (resid 60 and name HA2) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.712
assign (resid 32 and name HN) (resid 61 and name HB2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.840
!assign (resid 32 and name HN) (resid 61 and name HN) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.153
!assign (resid 51 and name HE1) (resid 61 and name HD1) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.87
assign (resid 61 and name HE1) (resid 51 and name HD1) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.59
!assign (resid 61 and name HN) (resid 51 and name HB2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.429
!assign (resid 52 and name HN) (resid 61 and name HB2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.343
assign (resid 61 and name HN) (resid 52 and name HD2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.426
assign (resid 53 and name HN) (resid 61 and name HA) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.664
assign (resid 61 and name HN) (resid 60 and name HA1) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.418
assign (resid 61 and name HN) (resid 60 and name HA2) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.428
assign (resid 61 and name HN) (resid 60 and name HN) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.425
assign (resid 61 and name HE1) (resid 61 and name HD1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.58
assign (resid 61 and name HN) (resid 61 and name HA) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.417
assign (resid 61 and name HN) (resid 61 and name HB1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.414
assign (resid 61 and name HN) (resid 61 and name HB2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.419
assign (resid 61 and name HN) (resid 61 and name HD1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.416
!assign (resid 32 and name HN) (resid 62 and name HB1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.158
assign (resid 62 and name HN) (resid 32 and name HD2#) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.554
assign (resid 62 and name HN) (resid 51 and name HA) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.556
assign (resid 62 and name HN) (resid 51 and name HB1) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.546
!assign (resid 61 and name HN) (resid 62 and name HB2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.415
assign (resid 62 and name HN) (resid 61 and name HA) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.544
assign (resid 62 and name HN) (resid 61 and name HB1) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.550
assign (resid 62 and name HN) (resid 61 and name HB2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.551
assign (resid 62 and name HN) (resid 62 and name HA) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.545
assign (resid 62 and name HN) (resid 62 and name HB1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.558
assign (resid 62 and name HN) (resid 62 and name HB2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.552
!assign (resid 62 and name HN) (resid 63 and name HB2) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.553
assign (resid 65 and name HD2#) (resid 65 and name HA) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.684
assign (resid 65 and name HD2#) (resid 65 and name HB1) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.685
assign (resid 65 and name HD2#) (resid 65 and name HB2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.686
assign (resid 65 and name HD22) (resid 65 and name HB1) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.676
assign (resid 65 and name HD22) (resid 65 and name HB2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.677
assign (resid 65 and name HD2#) (resid 65 and name HD22) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.671
assign (resid 65 and name HN) (resid 65 and name HA) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.583
assign (resid 65 and name HN) (resid 65 and name HB1) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.584
assign (resid 65 and name HN) (resid 65 and name HB2) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.585
assign (resid 65 and name HN) (resid 65 and name HD2#) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.804
assign (resid 65 and name HN) (resid 65 and name HD22) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.802
assign (resid 22 and name HN) (resid 66 and name HA) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.614
assign (resid 22 and name HN) (resid 66 and name HB1) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.617
assign (resid 22 and name HN) (resid 66 and name HB2) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.886
assign (resid 66 and name HN) (resid 65 and name HB2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.516
assign (resid 65 and name HN) (resid 66 and name HN) 2.800 1.0 0.4 !   sh3_2_hnoesy_new.800
assign (resid 66 and name HN) (resid 66 and name HA) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.515
assign (resid 66 and name HN) (resid 66 and name HB1) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.508
!assign (resid 66 and name HN) (resid 66 and name HB2) 2.800 1.0 0.4 !   sh3_2_hnoesy_new.509
!assign (resid 19 and name HN) (resid 67 and name HB) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.267
!assign (resid 20 and name HN) (resid 67 and name HG1#) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.830
assign (resid 67 and name HN) (resid 20 and name HA) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.764
assign (resid 21 and name HN) (resid 67 and name HA) 2.800 1.0 0.4 !   sh3_2_hnoesy_new.27
assign (resid 21 and name HN) (resid 67 and name HB) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.19
assign (resid 21 and name HN) (resid 67 and name HG1#) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.904
!assign (resid 67 and name HN) (resid 64 and name HA) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.767
assign (resid 65 and name HN) (resid 67 and name HG1#) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.590
assign (resid 65 and name HN) (resid 67 and name HN) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.801
assign (resid 66 and name HN) (resid 67 and name HA) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.514
assign (resid 66 and name HN) (resid 67 and name HG1#) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.518
assign (resid 66 and name HN) (resid 67 and name HG2#) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.519
assign (resid 67 and name HN) (resid 66 and name HA) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.759
assign (resid 67 and name HN) (resid 66 and name HB1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.765
!assign (resid 67 and name HN) (resid 66 and name HB2) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.760
assign (resid 66 and name HN) (resid 67 and name HN) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.860
assign (resid 67 and name HN) (resid 67 and name HA) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.763
assign (resid 67 and name HN) (resid 67 and name HB) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.766
assign (resid 67 and name HN) (resid 67 and name HG1#) 2.800 1.0 0.4 !   sh3_2_hnoesy_new.768
assign (resid 67 and name HN) (resid 67 and name HG2#) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.761
assign (resid 19 and name HN) (resid 68 and name HB1) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.269
assign (resid 19 and name HN) (resid 68 and name HD2#) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.270
!assign (resid 68 and name HN) (resid 19 and name HA) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.372
assign (resid 68 and name HN) (resid 19 and name HB1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.375
assign (resid 68 and name HN) (resid 19 and name HB2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.376
!assign (resid 68 and name HN) (resid 19 and name HN) 2.800 1.0 0.4 !   sh3_2_hnoesy_new.385
assign (resid 68 and name HN) (resid 20 and name HA) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.374
!assign (resid 65 and name HN) (resid 68 and name HG) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.587
assign (resid 68 and name HN) (resid 67 and name HA) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.355
assign (resid 68 and name HN) (resid 67 and name HB) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.901
!assign (resid 68 and name HN) (resid 67 and name HG1#) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.383
assign (resid 68 and name HN) (resid 67 and name HG2#) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.384
assign (resid 68 and name HN) (resid 67 and name HN) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.370
assign (resid 68 and name HN) (resid 68 and name HA) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.373
assign (resid 68 and name HN) (resid 68 and name HB1) 2.800 1.0 0.4 !   sh3_2_hnoesy_new.379
assign (resid 68 and name HN) (resid 68 and name HB2) 2.800 1.0 0.4 !   sh3_2_hnoesy_new.377
assign (resid 68 and name HN) (resid 68 and name HD1#) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.382
assign (resid 68 and name HN) (resid 68 and name HG) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.378
assign (resid 69 and name HN) (resid 18 and name HB#) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.137
assign (resid 19 and name HN) (resid 69 and name HA) 3.400 1.6 1.6 !   sh3_2_hnoesy_new.263
assign (resid 19 and name HN) (resid 69 and name HB2) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.266
assign (resid 19 and name HN) (resid 69 and name HG2) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.265
assign (resid 68 and name HN) (resid 69 and name HA) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.857
assign (resid 69 and name HN) (resid 68 and name HA) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.129
!assign (resid 69 and name HN) (resid 68 and name HB1) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.136
!assign (resid 69 and name HN) (resid 68 and name HB2) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.134
assign (resid 69 and name HN) (resid 68 and name HD1#) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.140
assign (resid 69 and name HN) (resid 68 and name HG) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.135
assign (resid 69 and name HN) (resid 69 and name HA) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.130
assign (resid 69 and name HN) (resid 69 and name HB1) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.133
!assign (resid 69 and name HN) (resid 69 and name HG1) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.131
!assign (resid 69 and name HN) (resid 69 and name HG2) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.132
!assign (resid 70 and name HN) (resid 18 and name HA) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.184
!assign (resid 70 and name HN) (resid 43 and name HB2) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.842
assign (resid 70 and name HN) (resid 69 and name HG1) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.185
assign (resid 69 and name HN) (resid 70 and name HN) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.127
assign (resid 70 and name HN) (resid 70 and name HA) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.815
assign (resid 70 and name HN) (resid 70 and name HB1) 3.400 1.0 0.4 !   sh3_2_hnoesy_new.188
assign (resid 70 and name HN) (resid 70 and name HB2) 3.400 1.0 0.4 !   sh3_2_hnoesy_new.191
assign (resid 70 and name HN) (resid 70 and name HG1) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.186
assign (resid 70 and name HN) (resid 70 and name HG2) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.187
!assign (resid 69 and name HN) (resid 71 and name HG2#) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.138
!assign (resid 70 and name HN) (resid 71 and name HG1#) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.190
assign (resid 71 and name HN) (resid 70 and name HA) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.464
assign (resid 71 and name HN) (resid 70 and name HB1) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.467
assign (resid 71 and name HN) (resid 70 and name HB2) 3.400 1.6 0.8 !   sh3_2_hnoesy_new.468
assign (resid 71 and name HN) (resid 70 and name HG1) 5.000 3.2 1.6 !   sh3_2_hnoesy_new.466
assign (resid 70 and name HN) (resid 71 and name HN) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.183
assign (resid 71 and name HN) (resid 71 and name HA) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.465
assign (resid 71 and name HN) (resid 71 and name HB) 2.800 1.0 0.4 !   sh3_2_hnoesy_new.459
assign (resid 71 and name HN) (resid 71 and name HG2#) 2.800 1.0 0.4 !   sh3_2_hnoesy_new.460
assign (resid 72 and name HN) (resid 70 and name HA) 5.000 3.2 0.0 !   sh3_2_hnoesy_new.810
assign (resid 72 and name HN) (resid 71 and name HA) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.82
!assign (resid 72 and name HN) (resid 71 and name HB) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.84
!assign (resid 72 and name HN) (resid 71 and name HG2#) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.85
assign (resid 72 and name HN) (resid 72 and name HA) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.81
assign (resid 72 and name HN) (resid 72 and name HB1) 3.400 1.6 0.0 !   sh3_2_hnoesy_new.83
assign (resid 72 and name HN) (resid 72 and name HB2) 2.800 1.0 0.0 !   sh3_2_hnoesy_new.91
assign (resid 10 and name HA) (resid 10 and name HB1) 3.400 1.6 0.0 !   sh3_2_hccnoesy.319
assign (resid 10 and name HA) (resid 11 and name HB) 3.400 1.6 0.0 !   sh3_2_hccnoesy.317
assign (resid 11 and name HA) (resid 11 and name HB) 2.800 1.0 0.0 !   sh3_2_hccnoesy.178
assign (resid 11 and name HA) (resid 11 and name HG1#) 3.400 1.6 0.0 !   sh3_2_hccnoesy.180
assign (resid 13 and name HB1) (resid 11 and name HA) 5.000 3.2 0.0 !   sh3_2_hccnoesy.922
assign (resid 15 and name HB2) (resid 9 and name HA1) 5.000 3.2 0.0 !   sh3_2_hccnoesy.66
assign (resid 15 and name HB1) (resid 11 and name HG1#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.53
assign (resid 11 and name HA) (resid 15 and name HB2) 5.000 3.2 0.0 !   sh3_2_hccnoesy.176
assign (resid 15 and name HB2) (resid 15 and name HA) 2.800 1.0 0.0 !   sh3_2_hccnoesy.67
assign (resid 15 and name HB1) (resid 15 and name HB2) 2.800 1.0 0.0 !   sh3_2_hccnoesy.65
assign (resid 15 and name HA) (resid 16 and name HB) 5.000 3.2 0.0 !   sh3_2_hccnoesy.243
assign (resid 15 and name HA) (resid 16 and name HG11) 3.400 1.6 0.0 !   sh3_2_hccnoesy.242
assign (resid 15 and name HB1) (resid 16 and name HG11) 2.800 1.0 0.0 !   sh3_2_hccnoesy.52
assign (resid 15 and name HB2) (resid 16 and name HG11) 2.800 1.0 0.0 !   sh3_2_hccnoesy.80
assign (resid 16 and name HA) (resid 16 and name HB) 3.400 1.6 0.0 !   sh3_2_hccnoesy.252
assign (resid 16 and name HA) (resid 16 and name HD1#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.256
assign (resid 16 and name HB) (resid 16 and name HD1#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.631
assign (resid 16 and name HA) (resid 16 and name HG11) 3.400 1.6 0.0 !   sh3_2_hccnoesy.254
assign (resid 16 and name HB) (resid 16 and name HG11) 5.000 3.2 0.0 !   sh3_2_hccnoesy.628
assign (resid 16 and name HA) (resid 16 and name HG12) 5.000 3.2 0.0 !   sh3_2_hccnoesy.253
assign (resid 16 and name HB) (resid 16 and name HG12) 3.400 1.6 0.0 !   sh3_2_hccnoesy.626
assign (resid 16 and name HA) (resid 16 and name HG2#) 3.400 1.6 0.0 !   sh3_2_hccnoesy.255
assign (resid 16 and name HB) (resid 16 and name HG2#) 3.400 1.6 0.0 !   sh3_2_hccnoesy.629
assign (resid 17 and name HG1) (resid 11 and name HA) 5.000 3.2 0.0 !   sh3_2_hccnoesy.1058
assign (resid 17 and name HG2) (resid 11 and name HA) 5.000 3.2 0.0 !   sh3_2_hccnoesy.1059
assign (resid 15 and name HA) (resid 17 and name HB1) 5.000 3.2 0.0 !   sh3_2_hccnoesy.244
assign (resid 17 and name HA) (resid 16 and name HB) 5.000 3.2 0.0 !   sh3_2_hccnoesy.89
assign (resid 16 and name HA) (resid 17 and name HB1) 5.000 3.2 0.0 !   sh3_2_hccnoesy.250
!assign (resid 16 and name HB) (resid 17 and name HB1) 2.800 1.0 0.0 !   sh3_2_hccnoesy.623
assign (resid 16 and name HB) (resid 17 and name HD2) 5.000 3.2 0.0 !   sh3_2_hccnoesy.622
assign (resid 16 and name HA) (resid 17 and name HG1) 5.000 3.2 0.0 !   sh3_2_hccnoesy.251
assign (resid 17 and name HA) (resid 17 and name HB1) 2.800 1.0 0.0 !   sh3_2_hccnoesy.85
assign (resid 17 and name HB1) (resid 17 and name HD1) 5.000 3.2 0.0 !   sh3_2_hccnoesy.907
assign (resid 17 and name HA) (resid 17 and name HD2) 5.000 3.2 0.0 !   sh3_2_hccnoesy.90
assign (resid 17 and name HB1) (resid 17 and name HD2) 5.000 3.2 0.0 !   sh3_2_hccnoesy.1051
assign (resid 17 and name HG1) (resid 17 and name HB1) 2.800 1.0 0.0 !   sh3_2_hccnoesy.1053
assign (resid 17 and name HB2) (resid 17 and name HG1) 2.800 1.0 0.0 !   sh3_2_hccnoesy.1055
assign (resid 17 and name HG1) (resid 17 and name HD1) 2.800 1.0 0.0 !   sh3_2_hccnoesy.1050
assign (resid 17 and name HG2) (resid 17 and name HA) 3.400 1.6 0.8 !   sh3_2_hccnoesy.925
assign (resid 17 and name HB1) (resid 18 and name HA) 5.000 3.2 1.6 !   sh3_2_hccnoesy.1046
assign (resid 17 and name HG1) (resid 18 and name HA) 5.000 3.2 1.6 !   sh3_2_hccnoesy.1047
assign (resid 18 and name HA) (resid 17 and name HG2) 5.000 3.2 0.0 !   sh3_2_hccnoesy.465
assign (resid 17 and name HA) (resid 18 and name HB#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.87
assign (resid 18 and name HA) (resid 18 and name HB#) 3.400 1.6 0.0 !   sh3_2_hccnoesy.466
assign (resid 19 and name HB1) (resid 18 and name HB#) 5.000 3.2 1.6 !   sh3_2_hccnoesy.673
assign (resid 19 and name HB2) (resid 18 and name HB#) 5.000 3.2 1.6 !   sh3_2_hccnoesy.674
assign (resid 19 and name HA) (resid 19 and name HB1) 2.800 1.0 0.0 !   sh3_2_hccnoesy.270
assign (resid 19 and name HA) (resid 19 and name HB2) 2.800 1.0 0.0 !   sh3_2_hccnoesy.271
assign (resid 19 and name HB1) (resid 19 and name HB2) 2.800 1.0 0.0 !   sh3_2_hccnoesy.699
assign (resid 19 and name HA) (resid 20 and name HG1#) 5.000 3.2 1.6 !   sh3_2_hccnoesy.276
assign (resid 20 and name HB) (resid 20 and name HA) 5.000 3.2 0.0 !   sh3_2_hccnoesy.1073
assign (resid 20 and name HB) (resid 20 and name HG1#) 3.400 1.6 0.0 !   sh3_2_hccnoesy.1067
assign (resid 20 and name HA) (resid 20 and name HG2#) 2.800 1.0 0.0 !   sh3_2_hccnoesy.78
assign (resid 21 and name HA) (resid 21 and name HD1) 5.000 3.2 0.0 !   sh3_2_hccnoesy.215
assign (resid 21 and name HG1) (resid 21 and name HA) 2.800 1.0 0.4 !   sh3_2_hccnoesy.1124
assign (resid 21 and name HG1) (resid 21 and name HD1) 3.400 1.6 0.0 !   sh3_2_hccnoesy.1120
assign (resid 21 and name HG1) (resid 21 and name HE2) 5.000 3.2 0.0 !   sh3_2_hccnoesy.1122
!assign (resid 22 and name HA) (resid 21 and name HB1) 3.400 1.6 0.0 !   sh3_2_hccnoesy.390
!assign (resid 21 and name HA) (resid 22 and name HB1) 5.000 3.2 0.0 !   sh3_2_hccnoesy.213
!assign (resid 21 and name HA) (resid 22 and name HB2) 5.000 3.2 0.0 !   sh3_2_hccnoesy.214
assign (resid 22 and name HB2) (resid 21 and name HG1) 5.000 3.2 1.6 !   sh3_2_hccnoesy.697
assign (resid 22 and name HA) (resid 22 and name HB1) 2.800 1.0 0.0 !   sh3_2_hccnoesy.383
assign (resid 22 and name HA) (resid 22 and name HB2) 3.400 1.6 0.0 !   sh3_2_hccnoesy.384
assign (resid 22 and name HB2) (resid 22 and name HB1) 2.800 1.0 0.0 !   sh3_2_hccnoesy.695
assign (resid 22 and name HA) (resid 23 and name HB#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.388
assign (resid 23 and name HA) (resid 23 and name HB#) 2.800 1.0 0.0 !   sh3_2_hccnoesy.454
assign (resid 23 and name HA) (resid 24 and name HB1) 5.000 3.2 0.0 !   sh3_2_hccnoesy.449
assign (resid 24 and name HB2) (resid 24 and name HB1) 2.800 1.0 0.0 !   sh3_2_hccnoesy.649
!assign (resid 25 and name HA) (resid 24 and name HB1) 2.800 1.0 0.0 !   sh3_2_hccnoesy.110
!assign (resid 25 and name HB) (resid 24 and name HB1) 3.400 1.6 0.0 !   sh3_2_hccnoesy.1189
assign (resid 25 and name HG1#) (resid 24 and name HB2) 5.000 3.2 1.6 !   sh3_2_hccnoesy.1080
assign (resid 25 and name HB) (resid 25 and name HG2#) 2.800 1.0 0.0 !   sh3_2_hccnoesy.1076
assign (resid 26 and name HA) (resid 25 and name HG2#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.422
assign (resid 26 and name HA) (resid 26 and name HB#) 2.800 1.0 0.0 !   sh3_2_hccnoesy.418
assign (resid 26 and name HA) (resid 27 and name HA) 5.000 3.2 0.0 !   sh3_2_hccnoesy.409
assign (resid 27 and name HG1) (resid 26 and name HB#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.815
assign (resid 28 and name HB1) (resid 28 and name HA) 3.400 1.6 0.0 !   sh3_2_hccnoesy.840
assign (resid 28 and name HB2) (resid 28 and name HA) 5.000 3.2 0.0 !   sh3_2_hccnoesy.841
assign (resid 28 and name HB2) (resid 28 and name HB1) 2.800 1.0 0.0 !   sh3_2_hccnoesy.847
assign (resid 28 and name HD1) (resid 28 and name HB1) 3.400 1.6 0.0 !   sh3_2_hccnoesy.612
assign (resid 28 and name HB2) (resid 28 and name HD1) 5.000 3.2 1.6 !   sh3_2_hccnoesy.843
assign (resid 28 and name HA) (resid 28 and name HD2) 3.400 1.6 0.8 !   sh3_2_hccnoesy.370
assign (resid 28 and name HA) (resid 28 and name HG1) 5.000 3.2 1.6 !   sh3_2_hccnoesy.380
assign (resid 28 and name HD1) (resid 28 and name HG2) 2.800 1.0 0.0 !   sh3_2_hccnoesy.613
!assign (resid 29 and name HA) (resid 27 and name HA) 5.000 3.2 0.0 !   sh3_2_hccnoesy.166
!assign (resid 29 and name HA) (resid 27 and name HB1) 5.000 3.2 0.0 !   sh3_2_hccnoesy.171
!assign (resid 29 and name HA) (resid 27 and name HB2) 5.000 3.2 0.0 !   sh3_2_hccnoesy.169
assign (resid 29 and name HA) (resid 28 and name HA) 5.000 3.2 0.0 !   sh3_2_hccnoesy.165
assign (resid 29 and name HA) (resid 28 and name HD1) 5.000 3.2 0.0 !   sh3_2_hccnoesy.168
!assign (resid 28 and name HA) (resid 29 and name HB2) 2.800 1.0 0.0 !   sh3_2_hccnoesy.371
assign (resid 28 and name HB1) (resid 29 and name HG2) 5.000 3.2 0.0 !   sh3_2_hccnoesy.844
assign (resid 28 and name HB2) (resid 29 and name HG2) 5.000 3.2 0.0 !   sh3_2_hccnoesy.845
assign (resid 29 and name HA) (resid 29 and name HB1) 3.400 1.6 0.0 !   sh3_2_hccnoesy.170
assign (resid 30 and name HB1) (resid 28 and name HG2) 5.000 3.2 0.0 !   sh3_2_hccnoesy.742
assign (resid 30 and name HB2) (resid 28 and name HG2) 5.000 3.2 0.0 !   sh3_2_hccnoesy.741
assign (resid 30 and name HA) (resid 30 and name HB1) 2.800 1.0 0.4 !   sh3_2_hccnoesy.425
assign (resid 30 and name HB2) (resid 30 and name HA) 3.400 1.6 0.0 !   sh3_2_hccnoesy.729
assign (resid 30 and name HB1) (resid 30 and name HB2) 2.800 1.0 0.0 !   sh3_2_hccnoesy.732
assign (resid 26 and name HA) (resid 31 and name HB2) 5.000 3.2 1.6 !   sh3_2_hccnoesy.415
assign (resid 31 and name HB2) (resid 26 and name HB#) 5.000 3.2 1.6 !   sh3_2_hccnoesy.889
assign (resid 26 and name HA) (resid 31 and name HG1) 5.000 3.2 0.0 !   sh3_2_hccnoesy.414
assign (resid 31 and name HG1) (resid 26 and name HB#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.888
!assign (resid 31 and name HB1) (resid 27 and name HB2) 3.400 1.6 0.0 !   sh3_2_hccnoesy.886
assign (resid 31 and name HG1) (resid 27 and name HA) 5.000 3.2 1.6 !   sh3_2_hccnoesy.655
assign (resid 31 and name HG2) (resid 27 and name HA) 3.400 1.6 0.8 !   sh3_2_hccnoesy.656
!assign (resid 31 and name HA) (resid 28 and name HB2) 5.000 3.2 0.0 !   sh3_2_hccnoesy.356
assign (resid 28 and name HD1) (resid 31 and name HG2) 5.000 3.2 1.6 !   sh3_2_hccnoesy.611
!assign (resid 31 and name HB1) (resid 29 and name HG1) 3.400 1.6 0.0 !   sh3_2_hccnoesy.885
!assign (resid 31 and name HG1) (resid 29 and name HG1) 3.400 1.6 0.0 !   sh3_2_hccnoesy.882
assign (resid 31 and name HA) (resid 31 and name HB1) 5.000 3.2 0.0 !   sh3_2_hccnoesy.355
assign (resid 31 and name HA) (resid 31 and name HG1) 3.400 1.6 0.8 !   sh3_2_hccnoesy.353
assign (resid 31 and name HG1) (resid 31 and name HB1) 2.800 1.0 0.0 !   sh3_2_hccnoesy.884
assign (resid 31 and name HA) (resid 31 and name HG2) 3.400 1.6 0.8 !   sh3_2_hccnoesy.354
assign (resid 31 and name HG2) (resid 31 and name HG1) 2.800 1.0 0.0 !   sh3_2_hccnoesy.658
!assign (resid 32 and name HB1) (resid 25 and name HG1#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.546
!assign (resid 32 and name HB1) (resid 26 and name HA) 5.000 3.2 0.0 !   sh3_2_hccnoesy.554
!assign (resid 32 and name HB2) (resid 26 and name HA) 5.000 3.2 0.0 !   sh3_2_hccnoesy.535
!assign (resid 27 and name HG2) (resid 32 and name HB1) 5.000 3.2 0.0 !   sh3_2_hccnoesy.714
assign (resid 31 and name HA) (resid 32 and name HB1) 5.000 3.2 0.0 !   sh3_2_hccnoesy.357
assign (resid 31 and name HB2) (resid 32 and name HB1) 5.000 3.2 1.6 !   sh3_2_hccnoesy.860
assign (resid 32 and name HB1) (resid 31 and name HG2) 5.000 3.2 1.6 !   sh3_2_hccnoesy.550
assign (resid 32 and name HB2) (resid 32 and name HA) 5.000 3.2 0.0 !   sh3_2_hccnoesy.534
assign (resid 32 and name HB2) (resid 32 and name HB1) 2.800 1.0 0.0 !   sh3_2_hccnoesy.542
assign (resid 32 and name HA) (resid 32 and name HD1#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.375
assign (resid 32 and name HB1) (resid 32 and name HD2#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.545
assign (resid 32 and name HB2) (resid 32 and name HD2#) 3.400 1.6 0.0 !   sh3_2_hccnoesy.544
assign (resid 32 and name HB1) (resid 32 and name HG) 5.000 3.2 0.0 !   sh3_2_hccnoesy.548
assign (resid 32 and name HB2) (resid 32 and name HG) 3.400 1.6 0.0 !   sh3_2_hccnoesy.541
assign (resid 33 and name HB1) (resid 25 and name HG1#) 5.000 3.2 1.6 !   sh3_2_hccnoesy.22
!assign (resid 25 and name HB) (resid 33 and name HB2) 3.400 1.6 0.0 !   sh3_2_hccnoesy.1074
assign (resid 33 and name HB1) (resid 26 and name HA) 5.000 3.2 0.0 !   sh3_2_hccnoesy.36
assign (resid 33 and name HB1) (resid 26 and name HB#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.40
assign (resid 33 and name HB2) (resid 26 and name HA) 5.000 3.2 0.0 !   sh3_2_hccnoesy.37
assign (resid 33 and name HB2) (resid 26 and name HB#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.41
assign (resid 32 and name HB2) (resid 33 and name HB2) 5.000 3.2 1.6 !   sh3_2_hccnoesy.536
assign (resid 33 and name HB1) (resid 33 and name HA) 3.400 1.6 0.0 !   sh3_2_hccnoesy.34
assign (resid 33 and name HB2) (resid 33 and name HA) 3.400 1.6 0.0 !   sh3_2_hccnoesy.35
assign (resid 33 and name HB1) (resid 33 and name HB2) 2.800 1.0 0.0 !   sh3_2_hccnoesy.71
!assign (resid 34 and name HA) (resid 21 and name HE1) 2.800 1.0 0.0 !   sh3_2_hccnoesy.440
assign (resid 23 and name HA) (resid 34 and name HA) 5.000 3.2 0.0 !   sh3_2_hccnoesy.446
assign (resid 23 and name HA) (resid 34 and name HB1) 5.000 3.2 0.0 !   sh3_2_hccnoesy.455
assign (resid 23 and name HA) (resid 34 and name HB2) 5.000 3.2 0.0 !   sh3_2_hccnoesy.452
assign (resid 23 and name HA) (resid 34 and name HD1#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.457
!assign (resid 34 and name HA) (resid 24 and name HA) 5.000 3.2 0.0 !   sh3_2_hccnoesy.437
assign (resid 34 and name HB1) (resid 24 and name HB1) 5.000 3.2 0.0 !   sh3_2_hccnoesy.579
assign (resid 34 and name HB1) (resid 24 and name HB2) 5.000 3.2 0.0 !   sh3_2_hccnoesy.581
assign (resid 34 and name HB2) (resid 24 and name HB1) 5.000 3.2 0.0 !   sh3_2_hccnoesy.578
assign (resid 34 and name HB2) (resid 24 and name HB2) 5.000 3.2 0.0 !   sh3_2_hccnoesy.580
assign (resid 24 and name HB2) (resid 34 and name HD1#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.654
assign (resid 24 and name HB2) (resid 34 and name HG) 5.000 3.2 1.6 !   sh3_2_hccnoesy.651
assign (resid 34 and name HA) (resid 34 and name HB1) 3.400 1.6 0.0 !   sh3_2_hccnoesy.442
assign (resid 34 and name HA) (resid 34 and name HB2) 3.400 1.6 0.0 !   sh3_2_hccnoesy.441
assign (resid 34 and name HB1) (resid 34 and name HB2) 2.800 1.0 0.0 !   sh3_2_hccnoesy.583
assign (resid 34 and name HA) (resid 34 and name HD1#) 5.000 3.2 1.6 !   sh3_2_hccnoesy.444
assign (resid 34 and name HB1) (resid 34 and name HD1#) 3.400 1.6 0.0 !   sh3_2_hccnoesy.587
assign (resid 34 and name HB2) (resid 34 and name HD1#) 3.400 1.6 0.0 !   sh3_2_hccnoesy.586
assign (resid 34 and name HA) (resid 34 and name HD2#) 2.800 1.0 0.0 !   sh3_2_hccnoesy.445
assign (resid 34 and name HB1) (resid 34 and name HD2#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.589
assign (resid 34 and name HB2) (resid 34 and name HD2#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.588
assign (resid 34 and name HG) (resid 34 and name HA) 5.000 3.2 0.0 !   sh3_2_hccnoesy.576
assign (resid 34 and name HG) (resid 34 and name HB1) 5.000 3.2 0.0 !   sh3_2_hccnoesy.584
!assign (resid 35 and name HB) (resid 20 and name HG1#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.1094
!assign (resid 21 and name HE1) (resid 35 and name HG2#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.890
!assign (resid 22 and name HA) (resid 35 and name HB) 5.000 3.2 1.6 !   sh3_2_hccnoesy.387
assign (resid 35 and name HA) (resid 23 and name HB#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.115
assign (resid 23 and name HA) (resid 35 and name HB) 5.000 3.2 0.0 !   sh3_2_hccnoesy.453
!assign (resid 35 and name HB) (resid 23 and name HB#) 5.000 3.2 0.1.6 !   sh3_2_hccnoesy.1086
assign (resid 23 and name HA) (resid 35 and name HG1#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.456
!assign (resid 24 and name HB2) (resid 35 and name HG2#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.653
assign (resid 35 and name HA) (resid 34 and name HD1#) 5.000 3.2 1.6 !   sh3_2_hccnoesy.117
assign (resid 34 and name HA) (resid 35 and name HG2#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.443
assign (resid 35 and name HA) (resid 35 and name HB) 3.400 1.6 0.0 !   sh3_2_hccnoesy.114
assign (resid 35 and name HA) (resid 35 and name HG1#) 2.800 1.0 0.0 !   sh3_2_hccnoesy.116
assign (resid 35 and name HB) (resid 35 and name HG1#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.1195
!assign (resid 36 and name HB1) (resid 20 and name HG1#) 3.400 1.6 0.0 !   sh3_2_hccnoesy.839
!assign (resid 21 and name HG1) (resid 36 and name HD2) 5.000 3.2 0.0 !   sh3_2_hccnoesy.1118
!assign (resid 21 and name HA) (resid 36 and name HG2) 5.000 3.2 1.6 !   sh3_2_hccnoesy.267
!assign (resid 22 and name HA) (resid 36 and name HB2) 3.400 1.6 0.0 !   sh3_2_hccnoesy.386
assign (resid 22 and name HA) (resid 36 and name HG2) 5.000 3.2 1.6 !   sh3_2_hccnoesy.392
assign (resid 35 and name HA) (resid 36 and name HA) 5.000 3.2 0.0 !   sh3_2_hccnoesy.108
assign (resid 35 and name HG1#) (resid 36 and name HB2) 5.000 3.2 1.6 !   sh3_2_hccnoesy.1079
assign (resid 36 and name HB2) (resid 36 and name HA) 3.400 1.6 0.0 !   sh3_2_hccnoesy.832
!assign (resid 21 and name HE1) (resid 37 and name HA1) 5.000 3.2 1.6 !   sh3_2_hccnoesy.880
!assign (resid 37 and name HA1) (resid 21 and name HE2) 5.000 3.2 1.6 !   sh3_2_hccnoesy.521
assign (resid 38 and name HA) (resid 20 and name HG1#) 5.000 3.2 1.6 !   sh3_2_hccnoesy.240
assign (resid 38 and name HA) (resid 35 and name HG2#) 5.000 3.2 1.6 !   sh3_2_hccnoesy.239
assign (resid 38 and name HB1) (resid 35 and name HG2#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.14
!assign (resid 38 and name HB1) (resid 36 and name HA) 5.000 3.2 0.0 !   sh3_2_hccnoesy.8
!assign (resid 38 and name HB1) (resid 36 and name HD2) 5.000 3.2 1.6 !   sh3_2_hccnoesy.15
assign (resid 38 and name HA) (resid 37 and name HA1) 5.000 3.2 0.0 !   sh3_2_hccnoesy.232
assign (resid 38 and name HB1) (resid 38 and name HA) 2.800 1.0 0.0 !   sh3_2_hccnoesy.9
assign (resid 38 and name HA) (resid 38 and name HB2) 2.800 1.0 0.0 !   sh3_2_hccnoesy.234
assign (resid 38 and name HB1) (resid 38 and name HB2) 2.800 1.0 0.0 !   sh3_2_hccnoesy.11
!assign (resid 39 and name HD2) (resid 17 and name HB1) 5.000 3.2 0.0 !   sh3_2_hccnoesy.596
assign (resid 39 and name HD1) (resid 18 and name HB#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.600
assign (resid 39 and name HD2) (resid 18 and name HA) 5.000 3.2 0.0 !   sh3_2_hccnoesy.591
assign (resid 19 and name HA) (resid 39 and name HA) 2.800 1.0 0.8 !   sh3_2_hccnoesy.268
assign (resid 19 and name HA) (resid 39 and name HB2) 5.000 3.2 0.0 !   sh3_2_hccnoesy.273
assign (resid 39 and name HG1) (resid 19 and name HA) 5.000 3.2 0.0 !   sh3_2_hccnoesy.1028
assign (resid 19 and name HA) (resid 39 and name HG2) 3.400 1.6 0.0 !   sh3_2_hccnoesy.274
assign (resid 39 and name HA) (resid 35 and name HG2#) 5.000 3.2 1.6 !   sh3_2_hccnoesy.346
!assign (resid 35 and name HB) (resid 39 and name HG1) 2.800 1.0 0.0 !   sh3_2_hccnoesy.1192
!assign (resid 39 and name HG2) (resid 35 and name HB) 2.800 1.0 0.0 !   sh3_2_hccnoesy.1085
assign (resid 39 and name HG2) (resid 35 and name HG1#) 5.000 3.2 1.6 !   sh3_2_hccnoesy.1088
assign (resid 39 and name HG2) (resid 35 and name HG2#) 5.000 3.2 1.6 !   sh3_2_hccnoesy.647
assign (resid 38 and name HA) (resid 39 and name HA) 5.000 3.2 0.0 !   sh3_2_hccnoesy.230
assign (resid 38 and name HA) (resid 39 and name HB1) 5.000 3.2 1.6 !   sh3_2_hccnoesy.236
assign (resid 38 and name HA) (resid 39 and name HG2) 5.000 3.2 0.0 !   sh3_2_hccnoesy.237
!assign (resid 38 and name HB1) (resid 39 and name HG2) 3.400 1.6 0.8 !   sh3_2_hccnoesy.13
assign (resid 39 and name HA) (resid 39 and name HB2) 2.800 1.0 0.0 !   sh3_2_hccnoesy.343
assign (resid 39 and name HA) (resid 39 and name HD1) 5.000 3.2 0.0 !   sh3_2_hccnoesy.340
assign (resid 39 and name HD2) (resid 39 and name HA) 5.000 3.2 0.0 !   sh3_2_hccnoesy.590
assign (resid 39 and name HG1) (resid 39 and name HA) 5.000 3.2 0.0 !   sh3_2_hccnoesy.1025
assign (resid 39 and name HA) (resid 39 and name HG2) 3.400 1.6 0.0 !   sh3_2_hccnoesy.344
assign (resid 39 and name HG2) (resid 39 and name HD1) 3.400 1.6 0.0 !   sh3_2_hccnoesy.1029
assign (resid 39 and name HD2) (resid 39 and name HG2) 3.400 1.6 0.0 !   sh3_2_hccnoesy.598
assign (resid 39 and name HG2) (resid 39 and name HG1) 2.800 1.0 0.0 !   sh3_2_hccnoesy.1031
assign (resid 40 and name HB) (resid 18 and name HB#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.836
assign (resid 18 and name HA) (resid 40 and name HG2#) 5.000 3.2 1.6 !   sh3_2_hccnoesy.468
assign (resid 39 and name HA) (resid 40 and name HA) 5.000 3.2 0.0 !   sh3_2_hccnoesy.339
assign (resid 39 and name HD2) (resid 40 and name HA) 5.000 3.2 1.6 !   sh3_2_hccnoesy.592
!assign (resid 39 and name HG1) (resid 40 and name HG1#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.1093
assign (resid 39 and name HA) (resid 40 and name HG2#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.345
!assign (resid 17 and name HA) (resid 41 and name HA) 2.800 1.0 0.8 !   sh3_2_hccnoesy.82
assign (resid 41 and name HA) (resid 17 and name HB1) 5.000 3.2 0.0 !   sh3_2_hccnoesy.100
assign (resid 17 and name HA) (resid 41 and name HG1) 5.000 3.2 1.6 !   sh3_2_hccnoesy.88
!assign (resid 41 and name HB) (resid 19 and name HB2) 5.000 3.2 0.0 !   sh3_2_hccnoesy.5
assign (resid 41 and name HA) (resid 40 and name HA) 5.000 3.2 0.0 !   sh3_2_hccnoesy.94
assign (resid 41 and name HA) (resid 40 and name HG1#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.103
!assign (resid 41 and name HB) (resid 40 and name HA) 3.400 1.6 0.0 !   sh3_2_hccnoesy.0
assign (resid 41 and name HB) (resid 41 and name HA) 3.400 1.6 0.0 !   sh3_2_hccnoesy.1
assign (resid 41 and name HA) (resid 41 and name HG1) 2.800 1.0 0.4 !   sh3_2_hccnoesy.102
assign (resid 41 and name HB) (resid 41 and name HG1) 2.800 1.0 0.0 !   sh3_2_hccnoesy.7
assign (resid 42 and name HB) (resid 15 and name HB2) 5.000 3.2 0.0 !   sh3_2_hccnoesy.908
!assign (resid 42 and name HB) (resid 16 and name HG2#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.915
!assign (resid 16 and name HB) (resid 42 and name HG1#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.627
!assign (resid 16 and name HB) (resid 42 and name HG2#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.632
assign (resid 42 and name HA) (resid 41 and name HG1) 5.000 3.2 0.0 !   sh3_2_hccnoesy.21
assign (resid 41 and name HA) (resid 42 and name HG1#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.101
assign (resid 42 and name HA) (resid 42 and name HB) 5.000 3.2 0.0 !   sh3_2_hccnoesy.19
assign (resid 42 and name HA) (resid 42 and name HG1#) 3.400 1.6 0.0 !   sh3_2_hccnoesy.20
assign (resid 42 and name HB) (resid 42 and name HG1#) 3.400 1.6 0.0 !   sh3_2_hccnoesy.914
assign (resid 42 and name HA) (resid 42 and name HG2#) 3.400 1.6 0.0 !   sh3_2_hccnoesy.23
assign (resid 42 and name HB) (resid 42 and name HG2#) 3.400 1.6 0.0 !   sh3_2_hccnoesy.916
assign (resid 15 and name HA) (resid 43 and name HG2) 3.400 1.6 0.0 !   sh3_2_hccnoesy.245
!assign (resid 43 and name HA) (resid 16 and name HD1#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.303
!assign (resid 43 and name HA) (resid 16 and name HG11) 5.000 3.2 0.0 !   sh3_2_hccnoesy.302
!assign (resid 43 and name HB2) (resid 17 and name HG1) 5.000 3.2 0.0 !   sh3_2_hccnoesy.1156
assign (resid 43 and name HA) (resid 42 and name HG2#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.304
assign (resid 43 and name HA) (resid 43 and name HB1) 3.400 1.6 0.0 !   sh3_2_hccnoesy.299
assign (resid 43 and name HA) (resid 43 and name HB2) 3.400 1.6 0.0 !   sh3_2_hccnoesy.301
assign (resid 43 and name HB2) (resid 43 and name HB1) 2.800 1.0 0.0 !   sh3_2_hccnoesy.1155
assign (resid 43 and name HA) (resid 43 and name HG1) 3.400 1.6 0.8 !   sh3_2_hccnoesy.297
assign (resid 43 and name HB2) (resid 43 and name HG1) 5.000 3.2 0.0 !   sh3_2_hccnoesy.1153
assign (resid 43 and name HA) (resid 43 and name HG2) 3.400 1.6 0.0 !   sh3_2_hccnoesy.298
assign (resid 43 and name HB2) (resid 43 and name HG2) 3.400 1.6 0.0 !   sh3_2_hccnoesy.1154
!assign (resid 17 and name HB2) (resid 44 and name HB1) 3.400 1.6 0.0 !   sh3_2_hccnoesy.913
assign (resid 43 and name HB2) (resid 44 and name HA) 5.000 3.2 0.0 !   sh3_2_hccnoesy.1150
assign (resid 44 and name HA) (resid 44 and name HB1) 3.400 1.6 0.0 !   sh3_2_hccnoesy.291
assign (resid 44 and name HB2) (resid 44 and name HA) 3.400 1.6 0.0 !   sh3_2_hccnoesy.892
assign (resid 44 and name HA) (resid 44 and name HG1) 5.000 3.2 0.0 !   sh3_2_hccnoesy.289
assign (resid 44 and name HB1) (resid 44 and name HG1) 3.400 1.6 0.0 !   sh3_2_hccnoesy.894
assign (resid 44 and name HA) (resid 44 and name HG2) 5.000 3.2 0.0 !   sh3_2_hccnoesy.290
assign (resid 44 and name HB2) (resid 44 and name HG2) 3.400 1.6 0.0 !   sh3_2_hccnoesy.893
assign (resid 45 and name HA) (resid 45 and name HG2) 5.000 3.2 0.0 !   sh3_2_hccnoesy.292
assign (resid 45 and name HG2) (resid 45 and name HG1) 2.800 1.0 0.0 !   sh3_2_hccnoesy.1158
assign (resid 44 and name HB1) (resid 46 and name HA) 5.000 3.2 1.6 !   sh3_2_hccnoesy.891
assign (resid 46 and name HA) (resid 45 and name HA) 5.000 3.2 0.0 !   sh3_2_hccnoesy.208
assign (resid 46 and name HA) (resid 46 and name HB1) 3.400 1.6 0.0 !   sh3_2_hccnoesy.210
assign (resid 46 and name HA) (resid 46 and name HB2) 3.400 1.6 0.0 !   sh3_2_hccnoesy.211
!assign (resid 46 and name HA) (resid 47 and name HA) 3.400 1.6 0.0 !   sh3_2_hccnoesy.207
assign (resid 46 and name HA) (resid 47 and name HB2) 5.000 3.2 0.0 !   sh3_2_hccnoesy.209
!assign (resid 45 and name HA) (resid 48 and name HB2) 5.000 3.2 0.0 !   sh3_2_hccnoesy.287
assign (resid 48 and name HA) (resid 48 and name HB1) 2.800 1.0 0.0 !   sh3_2_hccnoesy.377
assign (resid 48 and name HA) (resid 48 and name HB2) 3.400 1.6 0.0 !   sh3_2_hccnoesy.378
assign (resid 48 and name HB2) (resid 48 and name HB1) 2.800 1.0 0.0 !   sh3_2_hccnoesy.738
!assign (resid 49 and name HA1) (resid 45 and name HB2) 5.000 3.2 1.6 !   sh3_2_hccnoesy.531
!assign (resid 45 and name HA) (resid 49 and name HA2) 5.000 3.2 1.6 !   sh3_2_hccnoesy.286
!assign (resid 49 and name HA2) (resid 45 and name HB2) 5.000 3.2 1.6 !   sh3_2_hccnoesy.530
assign (resid 49 and name HA2) (resid 49 and name HA1) 2.800 1.0 0.0 !   sh3_2_hccnoesy.529
assign (resid 51 and name HA) (resid 44 and name HG1) 3.400 1.6 0.8 !   sh3_2_hccnoesy.395
!assign (resid 44 and name HB2) (resid 51 and name HB1) 2.800 1.0 0.4 !   sh3_2_hccnoesy.896
assign (resid 44 and name HG2) (resid 51 and name HB1) 5.000 3.2 0.0 !   sh3_2_hccnoesy.1144
assign (resid 51 and name HA) (resid 50 and name HB1) 5.000 3.2 1.6 !   sh3_2_hccnoesy.394
assign (resid 51 and name HA) (resid 51 and name HB1) 3.400 1.6 0.0 !   sh3_2_hccnoesy.396
assign (resid 51 and name HA) (resid 51 and name HB2) 3.400 1.6 0.0 !   sh3_2_hccnoesy.399
!assign (resid 52 and name HA) (resid 43 and name HB2) 5.000 3.2 0.0 !   sh3_2_hccnoesy.327
assign (resid 52 and name HA) (resid 44 and name HG2) 5.000 3.2 0.0 !   sh3_2_hccnoesy.325
!assign (resid 44 and name HB1) (resid 52 and name HB2) 3.400 1.6 0.0 !   sh3_2_hccnoesy.897
assign (resid 52 and name HA) (resid 52 and name HB1) 5.000 3.2 0.0 !   sh3_2_hccnoesy.405
assign (resid 52 and name HA) (resid 52 and name HG1) 3.400 1.6 0.0 !   sh3_2_hccnoesy.406
assign (resid 53 and name HA2) (resid 40 and name HG1#) 5.000 3.2 1.6 !   sh3_2_hccnoesy.517
!assign (resid 41 and name HA) (resid 53 and name HA2) 3.400 1.6 0.0 !   sh3_2_hccnoesy.96
assign (resid 53 and name HA2) (resid 41 and name HG1) 5.000 3.2 0.0 !   sh3_2_hccnoesy.514
!assign (resid 42 and name HA) (resid 53 and name HA1) 3.400 1.6 0.0 !   sh3_2_hccnoesy.16
!assign (resid 42 and name HA) (resid 53 and name HA2) 3.400 1.6 0.0 !   sh3_2_hccnoesy.17
assign (resid 53 and name HA2) (resid 42 and name HG1#) 5.000 3.2 1.6 !   sh3_2_hccnoesy.513
assign (resid 53 and name HA2) (resid 43 and name HG2) 5.000 3.2 0.0 !   sh3_2_hccnoesy.512
!assign (resid 53 and name HA2) (resid 52 and name HB2) 3.400 1.6 0.0 !   sh3_2_hccnoesy.515
assign (resid 53 and name HA2) (resid 53 and name HA1) 2.800 1.0 0.0 !   sh3_2_hccnoesy.508
!assign (resid 54 and name HB1) (resid 40 and name HA) 5.000 3.2 0.0 !   sh3_2_hccnoesy.56
!assign (resid 41 and name HA) (resid 54 and name HB1) 3.400 1.6 0.0 !   sh3_2_hccnoesy.97
assign (resid 41 and name HB) (resid 54 and name HB1) 5.000 3.2 0.0 !   sh3_2_hccnoesy.3
assign (resid 41 and name HB) (resid 54 and name HB2) 3.400 1.6 0.0 !   sh3_2_hccnoesy.4
assign (resid 54 and name HB1) (resid 54 and name HA) 2.800 1.0 0.0 !   sh3_2_hccnoesy.54
assign (resid 54 and name HA) (resid 54 and name HB2) 3.400 1.6 0.0 !   sh3_2_hccnoesy.361
assign (resid 54 and name HB1) (resid 54 and name HB2) 2.800 1.0 0.0 !   sh3_2_hccnoesy.63
!assign (resid 39 and name HG1) (resid 55 and name HB1) 5.000 3.2 0.0 !   sh3_2_hccnoesy.1030
assign (resid 40 and name HB) (resid 55 and name HB1) 5.000 3.2 1.6 !   sh3_2_hccnoesy.833
assign (resid 55 and name HB1) (resid 40 and name HG2#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.689
assign (resid 55 and name HB2) (resid 40 and name HG2#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.690
!assign (resid 41 and name HA) (resid 55 and name HB2) 5.000 3.2 1.6 !   sh3_2_hccnoesy.98
!assign (resid 42 and name HB) (resid 55 and name HB1) 5.000 3.2 0.0 !   sh3_2_hccnoesy.909
!assign (resid 42 and name HB) (resid 55 and name HB2) 5.000 3.2 0.0 !   sh3_2_hccnoesy.910
!assign (resid 55 and name HB2) (resid 42 and name HG1#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.684
assign (resid 55 and name HB1) (resid 55 and name HA) 3.400 1.6 0.0 !   sh3_2_hccnoesy.677
assign (resid 55 and name HB2) (resid 55 and name HA) 3.400 1.6 0.0 !   sh3_2_hccnoesy.678
assign (resid 55 and name HB2) (resid 55 and name HB1) 2.800 1.0 0.0 !   sh3_2_hccnoesy.680
!assign (resid 56 and name HA) (resid 40 and name HA) 3.400 1.6 0.0 !   sh3_2_hccnoesy.408
!assign (resid 56 and name HB1) (resid 42 and name HG1#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.805
!assign (resid 56 and name HB2) (resid 42 and name HG1#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.806
assign (resid 56 and name HA) (resid 55 and name HA) 5.000 3.2 0.0 !   sh3_2_hccnoesy.407
assign (resid 56 and name HA) (resid 56 and name HB1) 2.800 1.0 0.0 !   sh3_2_hccnoesy.413
assign (resid 56 and name HA) (resid 56 and name HB2) 2.800 1.0 0.0 !   sh3_2_hccnoesy.417
assign (resid 56 and name HB2) (resid 56 and name HB1) 2.800 1.0 0.0 !   sh3_2_hccnoesy.802
assign (resid 57 and name HA1) (resid 57 and name HA2) 2.800 1.0 0.0 !   sh3_2_hccnoesy.524
!assign (resid 19 and name HB1) (resid 58 and name HG2) 5.000 3.2 0.0 !   sh3_2_hccnoesy.667
!assign (resid 19 and name HB2) (resid 58 and name HG2) 5.000 3.2 0.0 !   sh3_2_hccnoesy.668
!assign (resid 39 and name HG2) (resid 58 and name HB1) 5.000 3.2 0.0 !   sh3_2_hccnoesy.641
!assign (resid 58 and name HG2) (resid 41 and name HG1) 5.000 3.2 0.0 !   sh3_2_hccnoesy.950
assign (resid 58 and name HG2) (resid 55 and name HA) 5.000 3.2 1.6 !   sh3_2_hccnoesy.936
assign (resid 58 and name HG1) (resid 57 and name HA1) 5.000 3.2 1.6 !   sh3_2_hccnoesy.881
assign (resid 58 and name HB1) (resid 58 and name HA) 3.400 1.6 0.0 !   sh3_2_hccnoesy.955
assign (resid 58 and name HB2) (resid 58 and name HB1) 2.800 1.0 0.0 !   sh3_2_hccnoesy.1102
assign (resid 58 and name HG1) (resid 58 and name HA) 3.400 1.6 0.8 !   sh3_2_hccnoesy.850
assign (resid 58 and name HG2) (resid 58 and name HA) 5.000 3.2 1.6 !   sh3_2_hccnoesy.851
assign (resid 58 and name HG2) (resid 58 and name HB1) 3.400 1.6 0.0 !   sh3_2_hccnoesy.943
assign (resid 58 and name HG2) (resid 58 and name HG1) 2.800 1.0 0.0 !   sh3_2_hccnoesy.853
!assign (resid 59 and name HG12) (resid 17 and name HG1) 5.000 3.2 0.0 !   sh3_2_hccnoesy.1040
!assign (resid 59 and name HA) (resid 32 and name HD1#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.162
!assign (resid 32 and name HB2) (resid 59 and name HG11) 5.000 3.2 0.0 !   sh3_2_hccnoesy.543
assign (resid 59 and name HA) (resid 53 and name HA2) 5.000 3.2 1.6 !   sh3_2_hccnoesy.154
assign (resid 53 and name HA2) (resid 59 and name HG2#) 5.000 3.2 1.6 !   sh3_2_hccnoesy.516
assign (resid 59 and name HA) (resid 54 and name HA) 2.800 1.0 0.0 !   sh3_2_hccnoesy.152
assign (resid 59 and name HA) (resid 54 and name HB1) 3.400 1.6 0.8 !   sh3_2_hccnoesy.155
assign (resid 59 and name HA) (resid 54 and name HB2) 5.000 3.2 1.6 !   sh3_2_hccnoesy.156
assign (resid 54 and name HA) (resid 59 and name HG11) 5.000 3.2 0.0 !   sh3_2_hccnoesy.365
assign (resid 54 and name HB1) (resid 59 and name HG11) 3.400 1.6 0.0 !   sh3_2_hccnoesy.61
assign (resid 54 and name HA) (resid 59 and name HG12) 5.000 3.2 0.0 !   sh3_2_hccnoesy.363
assign (resid 54 and name HB1) (resid 59 and name HG12) 5.000 3.2 0.0 !   sh3_2_hccnoesy.60
assign (resid 59 and name HG12) (resid 54 and name HB2) 5.000 3.2 0.0 !   sh3_2_hccnoesy.1041
assign (resid 54 and name HA) (resid 59 and name HG2#) 5.000 3.2 1.6 !   sh3_2_hccnoesy.366
assign (resid 54 and name HB1) (resid 59 and name HG2#) 5.000 3.2 1.6 !   sh3_2_hccnoesy.62
assign (resid 55 and name HB1) (resid 59 and name HD1#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.687
!assign (resid 55 and name HB2) (resid 59 and name HG2#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.688
assign (resid 59 and name HA) (resid 58 and name HG1) 5.000 3.2 0.0 !   sh3_2_hccnoesy.159
!assign (resid 58 and name HB2) (resid 59 and name HB) 5.000 3.2 0.0 !   sh3_2_hccnoesy.1105
assign (resid 59 and name HB) (resid 58 and name HG1) 5.000 3.2 1.6 !   sh3_2_hccnoesy.702
!assign (resid 58 and name HG2) (resid 59 and name HG11) 5.000 3.2 0.0 !   sh3_2_hccnoesy.951
!assign (resid 58 and name HG2) (resid 59 and name HG12) 2.800 1.0 0.0 !   sh3_2_hccnoesy.947
assign (resid 59 and name HA) (resid 59 and name HB) 3.400 1.6 0.0 !   sh3_2_hccnoesy.160
assign (resid 59 and name HA) (resid 59 and name HG11) 2.800 1.0 0.4 !   sh3_2_hccnoesy.163
assign (resid 59 and name HA) (resid 59 and name HG12) 3.400 1.6 0.8 !   sh3_2_hccnoesy.161
assign (resid 59 and name HG11) (resid 59 and name HG12) 2.800 1.0 0.0 !   sh3_2_hccnoesy.1036
assign (resid 59 and name HA) (resid 59 and name HG2#) 3.400 1.6 0.0 !   sh3_2_hccnoesy.164
assign (resid 59 and name HB) (resid 59 and name HG2#) 3.400 1.6 0.0 !   sh3_2_hccnoesy.704
!assign (resid 60 and name HA1) (resid 32 and name HD1#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.522
!assign (resid 32 and name HB1) (resid 60 and name HA2) 5.000 3.2 0.0 !   sh3_2_hccnoesy.553
assign (resid 60 and name HA1) (resid 59 and name HG2#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.523
assign (resid 60 and name HA1) (resid 60 and name HA2) 2.800 1.0 0.0 !   sh3_2_hccnoesy.519
assign (resid 31 and name HA) (resid 61 and name HB1) 5.000 3.2 0.0 !   sh3_2_hccnoesy.350
!assign (resid 34 and name HA) (resid 61 and name HB1) 5.000 3.2 0.0 !   sh3_2_hccnoesy.439
assign (resid 61 and name HA) (resid 51 and name HB2) 5.000 3.2 1.6 !   sh3_2_hccnoesy.263
assign (resid 61 and name HA) (resid 52 and name HA) 2.800 1.0 0.4 !   sh3_2_hccnoesy.258
assign (resid 61 and name HA) (resid 52 and name HB2) 5.000 3.2 0.0 !   sh3_2_hccnoesy.265
assign (resid 61 and name HA) (resid 52 and name HD2) 5.000 3.2 0.0 !   sh3_2_hccnoesy.266
assign (resid 61 and name HA) (resid 52 and name HG1) 5.000 3.2 0.0 !   sh3_2_hccnoesy.264
assign (resid 60 and name HA1) (resid 61 and name HB1) 5.000 3.2 1.6 !   sh3_2_hccnoesy.520
assign (resid 61 and name HA) (resid 61 and name HB1) 5.000 3.2 0.0 !   sh3_2_hccnoesy.260
assign (resid 61 and name HA) (resid 61 and name HB2) 5.000 3.2 0.0 !   sh3_2_hccnoesy.261
assign (resid 61 and name HB2) (resid 61 and name HB1) 3.400 1.6 0.0 !   sh3_2_hccnoesy.930
!assign (resid 62 and name HA) (resid 28 and name HB1) 5.000 3.2 0.0 !   sh3_2_hccnoesy.332
assign (resid 62 and name HA) (resid 32 and name HD2#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.335
!assign (resid 32 and name HB1) (resid 62 and name HB1) 5.000 3.2 1.6 !   sh3_2_hccnoesy.552
!assign (resid 32 and name HB2) (resid 62 and name HB1) 5.000 3.2 1.6 !   sh3_2_hccnoesy.537
assign (resid 62 and name HB1) (resid 32 and name HD2#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.758
!assign (resid 32 and name HB2) (resid 62 and name HB2) 5.000 3.2 1.6 !   sh3_2_hccnoesy.539
assign (resid 62 and name HB2) (resid 32 and name HD2#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.757
!assign (resid 62 and name HB1) (resid 34 and name HD1#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.759
!assign (resid 62 and name HB1) (resid 34 and name HD2#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.762
!assign (resid 62 and name HB2) (resid 34 and name HD1#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.760
!assign (resid 62 and name HB2) (resid 34 and name HD2#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.761
!assign (resid 62 and name HB1) (resid 51 and name HB2) 3.400 1.6 0.0 !   sh3_2_hccnoesy.755
!assign (resid 62 and name HB2) (resid 51 and name HB2) 3.400 1.6 0.0 !   sh3_2_hccnoesy.756
!assign (resid 61 and name HB2) (resid 62 and name HB2) 5.000 3.2 0.0 !   sh3_2_hccnoesy.933
assign (resid 62 and name HA) (resid 62 and name HB1) 3.400 1.6 0.0 !   sh3_2_hccnoesy.329
assign (resid 62 and name HA) (resid 62 and name HB2) 3.400 1.6 0.0 !   sh3_2_hccnoesy.330
assign (resid 62 and name HB1) (resid 62 and name HB2) 2.800 1.0 0.0 !   sh3_2_hccnoesy.747
!assign (resid 63 and name HA) (resid 25 and name HG1#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.91
!assign (resid 63 and name HB1) (resid 25 and name HG2#) 3.400 1.6 0.0 !   sh3_2_hccnoesy.920
!assign (resid 33 and name HB1) (resid 63 and name HB1) 5.000 3.2 0.0 !   sh3_2_hccnoesy.38
!assign (resid 33 and name HB2) (resid 63 and name HB1) 5.000 3.2 0.0 !   sh3_2_hccnoesy.39
!assign (resid 62 and name HA) (resid 63 and name HB2) 3.400 1.6 1.6 !   sh3_2_hccnoesy.331
!assign (resid 62 and name HB1) (resid 63 and name HB2) 5.000 3.2 1.6 !   sh3_2_hccnoesy.749
assign (resid 62 and name HB2) (resid 63 and name HB2) 5.000 3.2 1.6 !   sh3_2_hccnoesy.750
assign (resid 63 and name HB1) (resid 63 and name HA) 3.400 1.6 0.0 !   sh3_2_hccnoesy.917
assign (resid 63 and name HA) (resid 63 and name HB2) 2.800 1.0 0.0 !   sh3_2_hccnoesy.31
assign (resid 63 and name HA) (resid 63 and name HG1) 5.000 3.2 0.0 !   sh3_2_hccnoesy.29
assign (resid 63 and name HB1) (resid 63 and name HG1) 5.000 3.2 0.0 !   sh3_2_hccnoesy.919
assign (resid 63 and name HA) (resid 63 and name HG2) 5.000 3.2 0.0 !   sh3_2_hccnoesy.28
!assign (resid 64 and name HA) (resid 24 and name HA) 5.000 3.2 0.0 !   sh3_2_hccnoesy.118
!assign (resid 64 and name HB1) (resid 33 and name HA) 5.000 3.2 0.0 !   sh3_2_hccnoesy.43
!assign (resid 64 and name HB2) (resid 33 and name HA) 5.000 3.2 0.0 !   sh3_2_hccnoesy.42
assign (resid 64 and name HA) (resid 63 and name HA) 5.000 3.2 1.6 !   sh3_2_hccnoesy.120
assign (resid 63 and name HA) (resid 64 and name HB2) 5.000 3.2 0.0 !   sh3_2_hccnoesy.27
!assign (resid 64 and name HB2) (resid 63 and name HB1) 2.800 1.0 0.0 !   sh3_2_hccnoesy.106
assign (resid 64 and name HB1) (resid 64 and name HA) 2.800 1.0 0.0 !   sh3_2_hccnoesy.45
assign (resid 64 and name HB2) (resid 64 and name HA) 2.800 1.0 0.0 !   sh3_2_hccnoesy.44
assign (resid 64 and name HB1) (resid 64 and name HB2) 2.800 1.0 0.0 !   sh3_2_hccnoesy.47
!assign (resid 65 and name HA) (resid 34 and name HG) 5.000 3.2 0.0 !   sh3_2_hccnoesy.326
assign (resid 65 and name HA) (resid 65 and name HB1) 2.800 1.0 0.0 !   sh3_2_hccnoesy.323
assign (resid 65 and name HA) (resid 65 and name HB2) 2.800 1.0 0.0 !   sh3_2_hccnoesy.324
assign (resid 65 and name HB2) (resid 65 and name HB1) 2.800 1.0 0.0 !   sh3_2_hccnoesy.812
!assign (resid 66 and name HB2) (resid 18 and name HB#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.822
!assign (resid 66 and name HA) (resid 21 and name HB1) 3.400 1.6 0.0 !   sh3_2_hccnoesy.148
assign (resid 66 and name HA) (resid 21 and name HD2) 5.000 3.2 1.6 !   sh3_2_hccnoesy.147
assign (resid 66 and name HA) (resid 21 and name HE2) 5.000 3.2 0.0 !   sh3_2_hccnoesy.144
assign (resid 21 and name HG1) (resid 66 and name HA) 5.000 3.2 0.0 !   sh3_2_hccnoesy.1125
assign (resid 66 and name HB1) (resid 21 and name HG2) 5.000 3.2 0.0 !   sh3_2_hccnoesy.771
assign (resid 66 and name HB2) (resid 21 and name HB2) 5.000 3.2 0.0 !   sh3_2_hccnoesy.772
assign (resid 66 and name HA) (resid 22 and name HB1) 5.000 3.2 1.6 !   sh3_2_hccnoesy.142
!assign (resid 66 and name HA) (resid 22 and name HB2) 3.400 1.6 0.0 !   sh3_2_hccnoesy.145
!assign (resid 66 and name HA) (resid 34 and name HG) 5.000 3.2 0.0 !   sh3_2_hccnoesy.146
!assign (resid 66 and name HB1) (resid 34 and name HD1#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.775
!assign (resid 66 and name HB1) (resid 34 and name HG) 5.000 3.2 0.0 !   sh3_2_hccnoesy.770
!assign (resid 66 and name HB2) (resid 34 and name HD1#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.776
!assign (resid 66 and name HB2) (resid 34 and name HG) 5.000 3.2 0.0 !   sh3_2_hccnoesy.769
assign (resid 66 and name HA) (resid 66 and name HB1) 3.400 1.6 0.0 !   sh3_2_hccnoesy.141
assign (resid 66 and name HA) (resid 66 and name HB2) 3.400 1.6 0.0 !   sh3_2_hccnoesy.143
assign (resid 66 and name HB1) (resid 66 and name HB2) 2.800 1.0 0.0 !   sh3_2_hccnoesy.767
assign (resid 67 and name HA) (resid 19 and name HB2) 5.000 3.2 1.6 !   sh3_2_hccnoesy.197
assign (resid 67 and name HA) (resid 20 and name HA) 2.800 1.0 0.4 !   sh3_2_hccnoesy.195
assign (resid 20 and name HA) (resid 67 and name HB) 5.000 3.2 1.6 !   sh3_2_hccnoesy.75
assign (resid 20 and name HA) (resid 67 and name HG1#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.77
assign (resid 67 and name HA) (resid 21 and name HD2) 5.000 3.2 0.0 !   sh3_2_hccnoesy.201
assign (resid 67 and name HA) (resid 21 and name HG1) 3.400 1.6 0.0 !   sh3_2_hccnoesy.203
!assign (resid 67 and name HB) (resid 40 and name HG1#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.831
!assign (resid 67 and name HB) (resid 42 and name HG1#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.828
!assign (resid 59 and name HG11) (resid 67 and name HB) 5.000 3.2 0.0 !   sh3_2_hccnoesy.1039
!assign (resid 59 and name HG11) (resid 67 and name HG2#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.726
!assign (resid 67 and name HA) (resid 65 and name HB2) 5.000 3.2 0.0 !   sh3_2_hccnoesy.198
assign (resid 66 and name HA) (resid 67 and name HG1#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.150
assign (resid 66 and name HB2) (resid 67 and name HG1#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.773
assign (resid 66 and name HA) (resid 67 and name HG2#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.151
assign (resid 67 and name HA) (resid 67 and name HB) 2.800 1.0 0.0 !   sh3_2_hccnoesy.199
assign (resid 67 and name HA) (resid 67 and name HG1#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.204
assign (resid 67 and name HB) (resid 67 and name HG1#) 3.400 1.6 0.0 !   sh3_2_hccnoesy.829
assign (resid 67 and name HA) (resid 67 and name HG2#) 3.400 1.6 0.0 !   sh3_2_hccnoesy.205
assign (resid 67 and name HB) (resid 67 and name HG2#) 3.400 1.6 0.0 !   sh3_2_hccnoesy.830
assign (resid 68 and name HB1) (resid 18 and name HB#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.571
assign (resid 68 and name HB2) (resid 18 and name HB#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.570
assign (resid 68 and name HB1) (resid 19 and name HB1) 5.000 3.2 1.6 !   sh3_2_hccnoesy.560
assign (resid 68 and name HB1) (resid 19 and name HB2) 5.000 3.2 1.6 !   sh3_2_hccnoesy.563
assign (resid 68 and name HB2) (resid 19 and name HB1) 5.000 3.2 1.6 !   sh3_2_hccnoesy.561
!assign (resid 68 and name HB2) (resid 19 and name HB2) 3.400 1.6 1.6 !   sh3_2_hccnoesy.562
assign (resid 19 and name HA) (resid 68 and name HD2#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.275
assign (resid 19 and name HB1) (resid 68 and name HD2#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.675
assign (resid 19 and name HB2) (resid 68 and name HD2#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.676
!assign (resid 20 and name HA) (resid 68 and name HB2) 3.400 1.6 0.0 !   sh3_2_hccnoesy.76
!assign (resid 39 and name HD2) (resid 68 and name HD2#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.599
!assign (resid 40 and name HB) (resid 68 and name HD2#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.837
!assign (resid 68 and name HB1) (resid 41 and name HG1) 5.000 3.2 0.0 !   sh3_2_hccnoesy.572
!assign (resid 68 and name HB2) (resid 41 and name HG1) 5.000 3.2 0.0 !   sh3_2_hccnoesy.573
!assign (resid 68 and name HD2#) (resid 55 and name HB2) 5.000 3.2 0.0 !   sh3_2_hccnoesy.551
assign (resid 67 and name HA) (resid 68 and name HB2) 5.000 3.2 0.0 !   sh3_2_hccnoesy.200
assign (resid 68 and name HA) (resid 68 and name HB1) 2.800 1.0 0.0 !   sh3_2_hccnoesy.427
assign (resid 68 and name HA) (resid 68 and name HB2) 2.800 1.0 0.0 !   sh3_2_hccnoesy.426
assign (resid 68 and name HB1) (resid 68 and name HB2) 2.800 1.0 0.0 !   sh3_2_hccnoesy.565
assign (resid 68 and name HA) (resid 68 and name HD1#) 3.400 1.6 0.0 !   sh3_2_hccnoesy.428
assign (resid 68 and name HB1) (resid 68 and name HD1#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.575
assign (resid 68 and name HB2) (resid 68 and name HD1#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.574
assign (resid 68 and name HB1) (resid 68 and name HG) 2.800 1.0 0.0 !   sh3_2_hccnoesy.567
assign (resid 68 and name HB2) (resid 68 and name HG) 2.800 1.0 0.0 !   sh3_2_hccnoesy.566
!assign (resid 69 and name HB1) (resid 17 and name HA) 5.000 3.2 0.0 !   sh3_2_hccnoesy.953
!assign (resid 69 and name HG1) (resid 17 and name HG1) 3.400 1.6 0.0 !   sh3_2_hccnoesy.945
!assign (resid 69 and name HA) (resid 18 and name HA) 2.800 1.0 0.4 !   sh3_2_hccnoesy.218
assign (resid 69 and name HA) (resid 18 and name HB#) 3.400 1.6 0.0 !   sh3_2_hccnoesy.227
assign (resid 69 and name HB1) (resid 18 and name HB#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.961
assign (resid 18 and name HA) (resid 69 and name HB2) 5.000 3.2 0.0 !   sh3_2_hccnoesy.464
assign (resid 69 and name HG1) (resid 18 and name HB#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.791
assign (resid 18 and name HA) (resid 69 and name HG2) 5.000 3.2 0.0 !   sh3_2_hccnoesy.463
assign (resid 69 and name HG2) (resid 18 and name HB#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.792
!assign (resid 69 and name HG1) (resid 43 and name HA) 3.400 1.6 0.0 !   sh3_2_hccnoesy.938
!assign (resid 69 and name HG1) (resid 43 and name HB1) 3.400 1.6 0.0 !   sh3_2_hccnoesy.944
!assign (resid 69 and name HG1) (resid 43 and name HG1) 2.800 1.0 0.0 !   sh3_2_hccnoesy.940
!assign (resid 69 and name HG1) (resid 43 and name HG2) 2.800 1.0 0.0 !   sh3_2_hccnoesy.942
assign (resid 69 and name HA) (resid 68 and name HD1#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.228
!assign (resid 69 and name HG1) (resid 68 and name HB1) 3.400 1.6 0.0 !   sh3_2_hccnoesy.948
assign (resid 69 and name HG1) (resid 68 and name HD1#) 5.000 3.2 1.6 !   sh3_2_hccnoesy.793
assign (resid 69 and name HG2) (resid 68 and name HD1#) 5.000 3.2 1.6 !   sh3_2_hccnoesy.794
assign (resid 69 and name HA) (resid 69 and name HB2) 2.800 1.0 0.0 !   sh3_2_hccnoesy.226
assign (resid 69 and name HA) (resid 69 and name HG1) 3.400 1.6 0.0 !   sh3_2_hccnoesy.224
assign (resid 69 and name HG1) (resid 69 and name HB2) 2.800 1.0 0.0 !   sh3_2_hccnoesy.789
assign (resid 69 and name HA) (resid 69 and name HG2) 5.000 3.2 0.0 !   sh3_2_hccnoesy.225
assign (resid 69 and name HG2) (resid 69 and name HB2) 2.800 1.0 0.0 !   sh3_2_hccnoesy.790
assign (resid 69 and name HG2) (resid 69 and name HG1) 2.800 1.0 0.0 !   sh3_2_hccnoesy.786
!assign (resid 15 and name HB2) (resid 70 and name HG1) 5.000 3.2 0.0 !   sh3_2_hccnoesy.79
assign (resid 16 and name HB) (resid 70 and name HG1) 5.000 3.2 0.0 !   sh3_2_hccnoesy.624
assign (resid 70 and name HG1) (resid 16 and name HD1#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.797
assign (resid 70 and name HG1) (resid 16 and name HG2#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.1146
assign (resid 70 and name HG2) (resid 16 and name HG2#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.1147
!assign (resid 70 and name HA) (resid 17 and name HG2) 3.400 1.6 0.0 !   sh3_2_hccnoesy.310
!assign (resid 17 and name HA) (resid 70 and name HB2) 3.400 1.6 0.0 !   sh3_2_hccnoesy.86
!assign (resid 17 and name HB1) (resid 70 and name HB2) 2.800 1.0 0.0 !   sh3_2_hccnoesy.1056
!assign (resid 17 and name HB2) (resid 70 and name HB2) 2.800 1.0 0.0 !   sh3_2_hccnoesy.912
!assign (resid 17 and name HG1) (resid 70 and name HB2) 2.800 1.0 0.0 !   sh3_2_hccnoesy.1057
!assign (resid 70 and name HG1) (resid 17 and name HA) 5.000 3.2 0.0 !   sh3_2_hccnoesy.1128
!assign (resid 70 and name HG2) (resid 17 and name HA) 5.000 3.2 0.0 !   sh3_2_hccnoesy.1129
!assign (resid 70 and name HB2) (resid 39 and name HD1) 3.400 1.6 0.0 !   sh3_2_hccnoesy.966
!assign (resid 70 and name HB1) (resid 44 and name HG1) 2.800 1.0 0.0 !   sh3_2_hccnoesy.973
!assign (resid 44 and name HB1) (resid 70 and name HB2) 3.400 1.6 0.0 !   sh3_2_hccnoesy.895
!assign (resid 70 and name HB2) (resid 44 and name HG1) 2.800 1.0 0.0 !   sh3_2_hccnoesy.970
!assign (resid 70 and name HG1) (resid 45 and name HD2) 5.000 3.2 0.0 !   sh3_2_hccnoesy.1145
assign (resid 70 and name HA) (resid 69 and name HG2) 3.400 1.6 0.8 !   sh3_2_hccnoesy.307
!assign (resid 70 and name HB1) (resid 69 and name HB1) 3.400 1.6 0.0 !   sh3_2_hccnoesy.974
assign (resid 70 and name HB1) (resid 69 and name HG2) 5.000 3.2 1.6 !   sh3_2_hccnoesy.975
assign (resid 69 and name HB1) (resid 70 and name HB2) 5.000 3.2 1.6 !   sh3_2_hccnoesy.959
!assign (resid 70 and name HB2) (resid 69 and name HG2) 2.800 1.0 0.4 !   sh3_2_hccnoesy.1065
assign (resid 70 and name HA) (resid 70 and name HB1) 2.800 1.0 0.0 !   sh3_2_hccnoesy.309
assign (resid 70 and name HB2) (resid 70 and name HA) 5.000 3.2 0.0 !   sh3_2_hccnoesy.964
assign (resid 70 and name HB1) (resid 70 and name HB2) 2.800 1.0 0.0 !   sh3_2_hccnoesy.972
assign (resid 70 and name HG1) (resid 70 and name HA) 5.000 3.2 0.0 !   sh3_2_hccnoesy.1131
assign (resid 70 and name HG1) (resid 70 and name HB1) 2.800 1.0 0.0 !   sh3_2_hccnoesy.1140
assign (resid 70 and name HG1) (resid 70 and name HB2) 2.800 1.0 0.0 !   sh3_2_hccnoesy.1143
!assign (resid 70 and name HA) (resid 70 and name HG2) 2.800 1.0 0.4 !   sh3_2_hccnoesy.308
assign (resid 70 and name HG2) (resid 70 and name HB1) 2.800 1.0 0.0 !   sh3_2_hccnoesy.1141
assign (resid 70 and name HG2) (resid 70 and name HB2) 2.800 1.0 0.0 !   sh3_2_hccnoesy.1142
assign (resid 70 and name HG2) (resid 70 and name HG1) 2.800 1.0 0.0 !   sh3_2_hccnoesy.1137
assign (resid 16 and name HB) (resid 71 and name HG2#) 5.000 3.2 1.6 !   sh3_2_hccnoesy.630
!assign (resid 18 and name HA) (resid 71 and name HG2#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.467
!assign (resid 44 and name HG2) (resid 71 and name HA) 2.800 1.0 0.0 !   sh3_2_hccnoesy.902
!assign (resid 44 and name HG2) (resid 71 and name HG2#) 2.800 1.0 0.0 !   sh3_2_hccnoesy.904
assign (resid 45 and name HG2) (resid 71 and name HG1#) 5.000 3.2 1.6 !   sh3_2_hccnoesy.1163
assign (resid 45 and name HG1) (resid 71 and name HG2#) 5.000 3.2 1.6 !   sh3_2_hccnoesy.1164
!assign (resid 69 and name HA) (resid 71 and name HG2#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.229
assign (resid 70 and name HB2) (resid 71 and name HA) 5.000 3.2 0.0 !   sh3_2_hccnoesy.965
!assign (resid 71 and name HA) (resid 70 and name HG2) 3.400 1.6 0.0 !   sh3_2_hccnoesy.105
assign (resid 70 and name HB2) (resid 71 and name HB) 5.000 3.2 1.6 !   sh3_2_hccnoesy.1066
assign (resid 70 and name HA) (resid 71 and name HG2#) 5.000 3.2 0.0 !   sh3_2_hccnoesy.311
assign (resid 71 and name HA) (resid 71 and name HG2#) 3.400 1.6 0.0 !   sh3_2_hccnoesy.107
assign (resid 72 and name HB1) (resid 16 and name HG11) 3.400 1.6 0.8 !   sh3_2_hccnoesy.710
assign (resid 70 and name HA) (resid 72 and name HB2) 5.000 3.2 1.6 !   sh3_2_hccnoesy.306

dihed_good.tbl0000664000076400007640000003272610317161503013613 0ustar  dudududu00000000000000! Error ranges were set to 2*standard deviation of TALOS output or 15 deg if stdev was <15 deg.
 
! phi 
! 9-10 : 
assign (resid  9 and name c  ) (resid  10 and name n  )
(resid  10 and name ca  ) (resid  10 and name c  ) 1 -87.760 19.54 2
 
 
! psi
! 10-11 : 
assign (resid  10 and name n  ) (resid  10 and name ca  )
(resid 10 and name c ) (resid 11 and name n ) 1 110.170 24.24 2
 
 
! phi 
! 10-11 : 
assign (resid  10 and name c  ) (resid  11 and name n  )
(resid  11 and name ca  ) (resid  11 and name c  ) 1 -88.730 24.46 2
 
 
! psi
! 11-12 : 
assign (resid  11 and name n  ) (resid  11 and name ca  )
(resid 11 and name c ) (resid 12 and name n ) 1 136.330 23.62 2
 
 
! phi 
! 14-15 : 
assign (resid  14 and name c  ) (resid  15 and name n  )
(resid  15 and name ca  ) (resid  15 and name c  ) 1 -97.890 32.17 2
 
 
! psi
! 15-16 : 
assign (resid  15 and name n  ) (resid  15 and name ca  )
(resid 15 and name c ) (resid 16 and name n ) 1 125.280 25.41 2
 
 
! phi 
! 15-16 : 
assign (resid  15 and name c  ) (resid  16 and name n  )
(resid  16 and name ca  ) (resid  16 and name c  ) 1 -116.670 19.34 2
 
 
! psi
! 16-17 : 
assign (resid  16 and name n  ) (resid  16 and name ca  )
(resid 16 and name c ) (resid 17 and name n ) 1 138.720 22.93 2
 
 
! phi 
! 17-18 : 
assign (resid  17 and name c  ) (resid  18 and name n  )
(resid  18 and name ca  ) (resid  18 and name c  ) 1 -112.940 25.46 2
 
 
! psi
! 18-19 : 
assign (resid  18 and name n  ) (resid  18 and name ca  )
(resid 18 and name c ) (resid 19 and name n ) 1 141.960 29.84 2
 
 
! phi 
! 18-19 : 
assign (resid  18 and name c  ) (resid  19 and name n  )
(resid  19 and name ca  ) (resid  19 and name c  ) 1 -133.570 25.42 2
 
 
! psi
! 19-20 : 
assign (resid  19 and name n  ) (resid  19 and name ca  )
(resid 19 and name c ) (resid 20 and name n ) 1 141.490 24.86 2
 
 
! phi 
! 19-20 : 
assign (resid  19 and name c  ) (resid  20 and name n  )
(resid  20 and name ca  ) (resid  20 and name c  ) 1 -79.030 31.5 2
 
 
! psi
! 20-21 : 
assign (resid  20 and name n  ) (resid  20 and name ca  )
(resid 20 and name c ) (resid 21 and name n ) 1 125.740 46.4 2
 
 
! phi 
! 21-22 : 
assign (resid  21 and name c  ) (resid  22 and name n  )
(resid  22 and name ca  ) (resid  22 and name c  ) 1 -115.330 24.53 2
 
 
! psi
! 22-23 : 
assign (resid  22 and name n  ) (resid  22 and name ca  )
(resid 22 and name c ) (resid 23 and name n ) 1 137.960 18.89 2
 
 
! phi 
! 22-23 : 
assign (resid  22 and name c  ) (resid  23 and name n  )
(resid  23 and name ca  ) (resid  23 and name c  ) 1 -98.740 30.17 2
 
 
! psi
! 23-24 : 
assign (resid  23 and name n  ) (resid  23 and name ca  )
(resid 23 and name c ) (resid 24 and name n ) 1 127.730 23.56 2
 
 
! phi 
! 23-24 : 
assign (resid  23 and name c  ) (resid  24 and name n  )
(resid  24 and name ca  ) (resid  24 and name c  ) 1 -115.640 19.69 2
 
 
! psi
! 24-25 : 
assign (resid  24 and name n  ) (resid  24 and name ca  )
(resid 24 and name c ) (resid 25 and name n ) 1 134.180 13.63 2
 
 
! phi 
! 24-25 : 
assign (resid  24 and name c  ) (resid  25 and name n  )
(resid  25 and name ca  ) (resid  25 and name c  ) 1 -100.820 11.9 2
 
 
! psi
! 25-26 : 
assign (resid  25 and name n  ) (resid  25 and name ca  )
(resid 25 and name c ) (resid 26 and name n ) 1 124.970 16.32 2
 
 
! phi 
! 26-27 : 
assign (resid  26 and name c  ) (resid  27 and name n  )
(resid  27 and name ca  ) (resid  27 and name c  ) 1 -104.840 22.51 2
 
 
! psi
! 27-28 : 
assign (resid  27 and name n  ) (resid  27 and name ca  )
(resid 27 and name c ) (resid 28 and name n ) 1 145.340 26.74 2
 
 
! phi 
! 27-28 : 
assign (resid  27 and name c  ) (resid  28 and name n  )
(resid  28 and name ca  ) (resid  28 and name c  ) 1 -121.080 33.7 2
 
 
! psi
! 28-29 : 
assign (resid  28 and name n  ) (resid  28 and name ca  )
(resid 28 and name c ) (resid 29 and name n ) 1 152.060 50.12 2
 
 
! phi 
! 28-29 : 
assign (resid  28 and name c  ) (resid  29 and name n  )
(resid  29 and name ca  ) (resid  29 and name c  ) 1 -80.770 26.4 2
 
 
! psi
! 29-30 : 
assign (resid  29 and name n  ) (resid  29 and name ca  )
(resid 29 and name c ) (resid 30 and name n ) 1 125.820 18.54 2
 
 
! phi 
! 30-31 : 
assign (resid  30 and name c  ) (resid  31 and name n  )
(resid  31 and name ca  ) (resid  31 and name c  ) 1 -112.350 14.62 2
 
 
! psi
! 31-32 : 
assign (resid  31 and name n  ) (resid  31 and name ca  )
(resid 31 and name c ) (resid 32 and name n ) 1 137.990 11.57 2
 
 
! phi 
! 31-32 : 
assign (resid  31 and name c  ) (resid  32 and name n  )
(resid  32 and name ca  ) (resid  32 and name c  ) 1 -115.380 13.97 2
 
 
! psi
! 32-33 : 
assign (resid  32 and name n  ) (resid  32 and name ca  )
(resid 32 and name c ) (resid 33 and name n ) 1 129.140 21.45 2
 
 
! phi 
! 32-33 : 
assign (resid  32 and name c  ) (resid  33 and name n  )
(resid  33 and name ca  ) (resid  33 and name c  ) 1 -83.540 23.02 2
 
 
! psi
! 33-34 : 
assign (resid  33 and name n  ) (resid  33 and name ca  )
(resid 33 and name c ) (resid 34 and name n ) 1 121.050 25.86 2
 
 
! phi 
! 33-34 : 
assign (resid  33 and name c  ) (resid  34 and name n  )
(resid  34 and name ca  ) (resid  34 and name c  ) 1 -111.540 15.82 2
 
 
! psi
! 34-35 : 
assign (resid  34 and name n  ) (resid  34 and name ca  )
(resid 34 and name c ) (resid 35 and name n ) 1 133.110 17.43 2
 
 
! phi 
! 34-35 : 
assign (resid  34 and name c  ) (resid  35 and name n  )
(resid  35 and name ca  ) (resid  35 and name c  ) 1 -100.650 37.84 2
 
 
! psi
! 35-36 : 
assign (resid  35 and name n  ) (resid  35 and name ca  )
(resid 35 and name c ) (resid 36 and name n ) 1 121.930 42.56 2
 
 
! phi 
! 37-38 : 
assign (resid  37 and name c  ) (resid  38 and name n  )
(resid  38 and name ca  ) (resid  38 and name c  ) 1 -108.110 74.06 2
 
 
! psi
! 38-39 : 
assign (resid  38 and name n  ) (resid  38 and name ca  )
(resid 38 and name c ) (resid 39 and name n ) 1 142.450 54.8 2
 
 
! phi 
! 38-39 : 
assign (resid  38 and name c  ) (resid  39 and name n  )
(resid  39 and name ca  ) (resid  39 and name c  ) 1 -109.240 11.01 2
 
 
! psi
! 39-40 : 
assign (resid  39 and name n  ) (resid  39 and name ca  )
(resid 39 and name c ) (resid 40 and name n ) 1 134.810 13.48 2
 
 
! phi 
! 39-40 : 
assign (resid  39 and name c  ) (resid  40 and name n  )
(resid  40 and name ca  ) (resid  40 and name c  ) 1 -121.250 16.7 2
 
 
! psi
! 40-41 : 
assign (resid  40 and name n  ) (resid  40 and name ca  )
(resid 40 and name c ) (resid 41 and name n ) 1 140.140 24.32 2
 
 
! phi 
! 40-41 : 
assign (resid  40 and name c  ) (resid  41 and name n  )
(resid  41 and name ca  ) (resid  41 and name c  ) 1 -99.820 17.07 2
 
 
! psi
! 41-42 : 
assign (resid  41 and name n  ) (resid  41 and name ca  )
(resid 41 and name c ) (resid 42 and name n ) 1 116.970 19.55 2
 
 
! phi 
! 41-42 : 
assign (resid  41 and name c  ) (resid  42 and name n  )
(resid  42 and name ca  ) (resid  42 and name c  ) 1 -80.060 22.7 2
 
 
! psi
! 42-43 : 
assign (resid  42 and name n  ) (resid  42 and name ca  )
(resid 42 and name c ) (resid 43 and name n ) 1 117.340 26.04 2
 
 
! phi 
! 42-43 : 
assign (resid  42 and name c  ) (resid  43 and name n  )
(resid  43 and name ca  ) (resid  43 and name c  ) 1 -105.570 62.14 2
 
 
! psi
! 43-44 : 
assign (resid  43 and name n  ) (resid  43 and name ca  )
(resid 43 and name c ) (resid 44 and name n ) 1 143.930 39.78 2
 
 
! phi 
! 43-44 : 
assign (resid  43 and name c  ) (resid  44 and name n  )
(resid  44 and name ca  ) (resid  44 and name c  ) 1 -116.920 20.74 2
 
 
! psi
! 44-45 : 
assign (resid  44 and name n  ) (resid  44 and name ca  )
(resid 44 and name c ) (resid 45 and name n ) 1 142.940 18.27 2
 
 
! phi 
! 44-45 : 
assign (resid  44 and name c  ) (resid  45 and name n  )
(resid  45 and name ca  ) (resid  45 and name c  ) 1 -103.250 36.74 2
 
 
! psi
! 45-46 : 
assign (resid  45 and name n  ) (resid  45 and name ca  )
(resid 45 and name c ) (resid 46 and name n ) 1 131.490 34.28 2
 
 
! phi 
! 45-46 : 
assign (resid  45 and name c  ) (resid  46 and name n  )
(resid  46 and name ca  ) (resid  46 and name c  ) 1 -99.900 6.6 2
 
 
! psi
! 46-47 : 
assign (resid  46 and name n  ) (resid  46 and name ca  )
(resid 46 and name c ) (resid 47 and name n ) 1 128.070 29.58 2
 
 
! phi 
! 46-47 : 
assign (resid  46 and name c  ) (resid  47 and name n  )
(resid  47 and name ca  ) (resid  47 and name c  ) 1 -67.500 25.64 2
 
 
! psi
! 47-48 : 
assign (resid  47 and name n  ) (resid  47 and name ca  )
(resid 47 and name c ) (resid 48 and name n ) 1 -25.270 18.7 2
 
 
! phi 
! 47-48 : 
assign (resid  47 and name c  ) (resid  48 and name n  )
(resid  48 and name ca  ) (resid  48 and name c  ) 1 -93.660 51.4 2
 
 
! psi
! 48-49 : 
assign (resid  48 and name n  ) (resid  48 and name ca  )
(resid 48 and name c ) (resid 49 and name n ) 1 148.210 49.6 2
 
 
! phi 
! 49-50 : 
assign (resid  49 and name c  ) (resid  50 and name n  )
(resid  50 and name ca  ) (resid  50 and name c  ) 1 -92.140 11.95 2
 
 
! psi
! 50-51 : 
assign (resid  50 and name n  ) (resid  50 and name ca  )
(resid 50 and name c ) (resid 51 and name n ) 1 110.830 22.18 2
 
 
! phi 
! 50-51 : 
assign (resid  50 and name c  ) (resid  51 and name n  )
(resid  51 and name ca  ) (resid  51 and name c  ) 1 -125.210 35.16 2
 
 
! psi
! 51-52 : 
assign (resid  51 and name n  ) (resid  51 and name ca  )
(resid 51 and name c ) (resid 52 and name n ) 1 151.250 24.96 2
 
 
! phi 
! 51-52 : 
assign (resid  51 and name c  ) (resid  52 and name n  )
(resid  52 and name ca  ) (resid  52 and name c  ) 1 -98.560 23.48 2
 
 
! psi
! 52-53 : 
assign (resid  52 and name n  ) (resid  52 and name ca  )
(resid 52 and name c ) (resid 53 and name n ) 1 124.730 24.32 2
 
 
! phi 
! 53-54 : 
assign (resid  53 and name c  ) (resid  54 and name n  )
(resid  54 and name ca  ) (resid  54 and name c  ) 1 -111.690 23.13 2
 
 
! psi
! 54-55 : 
assign (resid  54 and name n  ) (resid  54 and name ca  )
(resid 54 and name c ) (resid 55 and name n ) 1 144.960 11.31 2
 
 
! phi 
! 54-55 : 
assign (resid  54 and name c  ) (resid  55 and name n  )
(resid  55 and name ca  ) (resid  55 and name c  ) 1 -131.390 23.93 2
 
 
! psi
! 55-56 : 
assign (resid  55 and name n  ) (resid  55 and name ca  )
(resid 55 and name c ) (resid 56 and name n ) 1 129.360 15.38 2
 
 
! phi 
! 55-56 : 
assign (resid  55 and name c  ) (resid  56 and name n  )
(resid  56 and name ca  ) (resid  56 and name c  ) 1 -84.250 23.94 2
 
 
! psi
! 56-57 : 
assign (resid  56 and name n  ) (resid  56 and name ca  )
(resid 56 and name c ) (resid 57 and name n ) 1 123.640 36.98 2
 
 
! phi 
! 57-58 : 
assign (resid  57 and name c  ) (resid  58 and name n  )
(resid  58 and name ca  ) (resid  58 and name c  ) 1 -110.590 59.02 2
 
 
! psi
! 58-59 : 
assign (resid  58 and name n  ) (resid  58 and name ca  )
(resid 58 and name c ) (resid 59 and name n ) 1 144.160 52.38 2
 
 
! phi 
! 58-59 : 
assign (resid  58 and name c  ) (resid  59 and name n  )
(resid  59 and name ca  ) (resid  59 and name c  ) 1 -124.310 14.57 2
 
 
! psi
! 59-60 : 
assign (resid  59 and name n  ) (resid  59 and name ca  )
(resid 59 and name c ) (resid 60 and name n ) 1 150.180 11.82 2
 
 
! phi 
! 60-61 : 
assign (resid  60 and name c  ) (resid  61 and name n  )
(resid  61 and name ca  ) (resid  61 and name c  ) 1 -105.770 6.18 2
 
 
! psi
! 61-62 : 
assign (resid  61 and name n  ) (resid  61 and name ca  )
(resid 61 and name c ) (resid 62 and name n ) 1 128.600 16.7 2
 
 
! phi 
! 61-62 : 
assign (resid  61 and name c  ) (resid  62 and name n  )
(resid  62 and name ca  ) (resid  62 and name c  ) 1 -108.970 52.76 2
 
 
! psi
! 62-63 : 
assign (resid  62 and name n  ) (resid  62 and name ca  )
(resid 62 and name c ) (resid 63 and name n ) 1 112.140 67.64 2
 
 
! phi 
! 64-65 : 
assign (resid  64 and name c  ) (resid  65 and name n  )
(resid  65 and name ca  ) (resid  65 and name c  ) 1 -75.080 30.38 2
 
 
! psi
! 65-66 : 
assign (resid  65 and name n  ) (resid  65 and name ca  )
(resid 65 and name c ) (resid 66 and name n ) 1 -22.320 46.18 2
 
 
! phi 
! 65-66 : 
assign (resid  65 and name c  ) (resid  66 and name n  )
(resid  66 and name ca  ) (resid  66 and name c  ) 1 -105.540 58.2 2
 
 
! psi
! 66-67 : 
assign (resid  66 and name n  ) (resid  66 and name ca  )
(resid 66 and name c ) (resid 67 and name n ) 1 122.220 54.0 2
 
 
! phi 
! 66-67 : 
assign (resid  66 and name c  ) (resid  67 and name n  )
(resid  67 and name ca  ) (resid  67 and name c  ) 1 -116.390 20.94 2
 
 
! psi
! 67-68 : 
assign (resid  67 and name n  ) (resid  67 and name ca  )
(resid 67 and name c ) (resid 68 and name n ) 1 143.820 19.46 2
 
 
! phi 
! 67-68 : 
assign (resid  67 and name c  ) (resid  68 and name n  )
(resid  68 and name ca  ) (resid  68 and name c  ) 1 -119.200 17.11 2
 
 
! psi
! 68-69 : 
assign (resid  68 and name n  ) (resid  68 and name ca  )
(resid 68 and name c ) (resid 69 and name n ) 1 141.670 22.81 2
 
 
! phi 
! 68-69 : 
assign (resid  68 and name c  ) (resid  69 and name n  )
(resid  69 and name ca  ) (resid  69 and name c  ) 1 -82.540 22.56 2
 
 
! psi
! 69-70 : 
assign (resid  69 and name n  ) (resid  69 and name ca  )
(resid 69 and name c ) (resid 70 and name n ) 1 119.870 17.02 2
 
 
! phi 
! 69-70 : 
assign (resid  69 and name c  ) (resid  70 and name n  )
(resid  70 and name ca  ) (resid  70 and name c  ) 1 -97.980 33.69 2
 
 
! psi
! 70-71 : 
assign (resid  70 and name n  ) (resid  70 and name ca  )
(resid 70 and name c ) (resid 71 and name n ) 1 133.280 16.99 2
 
 
! phi 
! 70-71 : 
assign (resid  70 and name c  ) (resid  71 and name n  )
(resid  71 and name ca  ) (resid  71 and name c  ) 1 -107.030 27.04 2
 
 
! psi
! 71-72 : 
assign (resid  71 and name n  ) (resid  71 and name ca  )
(resid 71 and name c ) (resid 72 and name n ) 1 122.810 50.3 2
 
hydrogen2.tbl0000664000076400007640000000243410317161537013427 0ustar  dudududu00000000000000assign (resid 21 and name n)  (resid 66 and name o)  3.3 0.9 0.0
assign (resid 21 and name hn) (resid 66 and name o)  2.2 0.9 0.0

assign (resid 68 and name n)  (resid 19 and name o)  3.3 0.9 0.0
assign (resid 68 and name hn) (resid 19 and name o)  2.2 0.9 0.0
assign (resid 19 and name n)  (resid 68 and name o)  3.3 0.9 0.0
assign (resid 19 and name hn) (resid 68 and name o)  2.2 0.9 0.0

assign (resid 60 and name n)  (resid 53 and name o)  3.3 0.9 0.0
assign (resid 60 and name hn) (resid 53 and name o)  2.2 0.9 0.0
assign (resid 53 and name n)  (resid 60 and name o)  3.3 0.9 0.0
assign (resid 53 and name hn) (resid 60 and name o)  2.2 0.9 0.0


assign (resid 40 and name n)  (resid 18 and name o)  3.3 0.9 0.0
assign (resid 40 and name hn) (resid 18 and name o)  2.2 0.9 0.0
assign (resid 18 and name n)  (resid 40 and name o)  3.3 0.9 0.0
assign (resid 18 and name hn) (resid 40 and name o)  2.2 0.9 0.0

assign (resid 62 and name n)   (resid 51 and name o) 3.3 0.9 0.0
assign (resid 62 and name hn)  (resid 51 and name o) 2.2 0.9 0.0

assign (resid 67 and name n)   (resid 64 and name o) 3.3 0.9 0.0
assign (resid 67 and name hn)  (resid 64 and name o) 2.2 0.9 0.0

assign (resid 66 and name n)   (resid 63 and name o) 3.3 0.9 0.2
assign (resid 66 and name hn)  (resid 63 and name o) 2.2 0.9 0.2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ILE   1          1HT       ILE   1  10.219  -2.311   8.738
    2   2H    ILE   1          2HT       ILE   1  10.733  -2.301  10.375
    3   3H    ILE   1          3HT       ILE   1  10.624  -0.829   9.499
    4    HA   ILE   1           HA       ILE   1   8.524  -2.514  10.608
    5    HB   ILE   1           HB       ILE   1   8.750   0.486  10.428
    6   1HG1  ILE   1          2HG1      ILE   1   9.668  -1.343  12.659
    7   2HG1  ILE   1          1HG1      ILE   1  10.713  -0.388  11.613
    8   1HG2  ILE   1          1HG2      ILE   1   7.200  -1.245  12.347
    9   2HG2  ILE   1          2HG2      ILE   1   6.523  -0.529  10.884
   10   3HG2  ILE   1          3HG2      ILE   1   7.116   0.509  12.180
   11   1HD1  ILE   1          1HD1      ILE   1  10.647   1.040  13.344
   12   2HD1  ILE   1          2HD1      ILE   1   9.106   0.422  13.938
   13   3HD1  ILE   1          3HD1      ILE   1   9.141   1.554  12.587
   14    HA   PRO   2           HA       PRO   2   6.229  -1.949   6.836
   15   1HB   PRO   2          2HB       PRO   2   3.957  -3.151   7.561
   16   2HB   PRO   2          1HB       PRO   2   5.452  -4.072   7.358
   17   1HG   PRO   2          2HG       PRO   2   4.120  -3.144   9.862
   18   2HG   PRO   2          1HG       PRO   2   4.958  -4.670   9.537
   19   1HD   PRO   2          2HD       PRO   2   6.051  -2.475  10.854
   20   2HD   PRO   2          1HD       PRO   2   6.976  -3.799  10.122
   21    H    ALA   3           H        ALA   3   3.575  -1.494   6.595
   22    HA   ALA   3           HA       ALA   3   3.221   1.092   7.914
   23   1HB   ALA   3          1HB       ALA   3   2.418   0.136   5.192
   24   2HB   ALA   3          2HB       ALA   3   3.414   1.525   5.628
   25   3HB   ALA   3          3HB       ALA   3   1.677   1.554   5.934
   26    H    PHE   4           H        PHE   4   0.923   1.774   8.209
   27    HA   PHE   4           HA       PHE   4  -0.706  -0.502   9.048
   28   1HB   PHE   4          2HB       PHE   4   0.166   1.111  10.813
   29   2HB   PHE   4          1HB       PHE   4  -0.953   2.275  10.117
   30    HD1  PHE   4           1HD      PHE   4  -3.340   2.035  10.379
   31    HD2  PHE   4           2HD      PHE   4  -0.645  -0.802  12.051
   32    HE1  PHE   4           1HE      PHE   4  -5.158   1.133  11.771
   33    HE2  PHE   4           2HE      PHE   4  -2.458  -1.710  13.444
   34    HZ   PHE   4           HZ       PHE   4  -4.718  -0.742  13.305
   35    H    VAL   5           H        VAL   5  -2.407  -0.877   7.789
   36    HA   VAL   5           HA       VAL   5  -3.411   1.169   6.008
   37    HB   VAL   5           HB       VAL   5  -4.478  -1.624   6.423
   38   1HG1  VAL   5          1HG1      VAL   5  -5.570   0.464   5.017
   39   2HG1  VAL   5          2HG1      VAL   5  -5.890  -1.246   4.730
   40   3HG1  VAL   5          3HG1      VAL   5  -4.666  -0.406   3.778
   41   1HG2  VAL   5          1HG2      VAL   5  -3.117  -1.972   4.226
   42   2HG2  VAL   5          2HG2      VAL   5  -2.308  -2.071   5.790
   43   3HG2  VAL   5          3HG2      VAL   5  -2.176  -0.604   4.820
   44    H    LYS   6           H        LYS   6  -5.418   2.136   6.071
   45    HA   LYS   6           HA       LYS   6  -6.882   1.837   8.602
   46   1HB   LYS   6          2HB       LYS   6  -7.181   4.194   6.775
   47   2HB   LYS   6          1HB       LYS   6  -7.504   4.087   8.498
   48   1HG   LYS   6          2HG       LYS   6  -5.383   4.566   9.058
   49   2HG   LYS   6          1HG       LYS   6  -4.705   3.625   7.729
   50   1HD   LYS   6          2HD       LYS   6  -5.315   5.426   6.168
   51   2HD   LYS   6          1HD       LYS   6  -5.941   6.371   7.520
   52   1HE   LYS   6          2HE       LYS   6  -3.699   6.350   8.538
   53   2HE   LYS   6          1HE       LYS   6  -3.089   5.463   7.143
   54   1HZ   LYS   6          1HZ       LYS   6  -3.771   7.351   5.745
   55   2HZ   LYS   6          2HZ       LYS   6  -2.607   7.784   6.892
   56   3HZ   LYS   6          3HZ       LYS   6  -4.226   8.205   7.133
   57    H    PHE   7           H        PHE   7  -7.699   2.998   5.363
   58    HA   PHE   7           HA       PHE   7 -10.317   1.782   5.588
   59   1HB   PHE   7          2HB       PHE   7  -9.169   4.015   4.137
   60   2HB   PHE   7          1HB       PHE   7 -10.130   2.985   3.076
   61    HD1  PHE   7           1HD      PHE   7 -12.478   3.016   3.158
   62    HD2  PHE   7           2HD      PHE   7 -10.225   4.967   6.196
   63    HE1  PHE   7           1HE      PHE   7 -14.536   4.070   4.002
   64    HE2  PHE   7           2HE      PHE   7 -12.279   6.023   7.046
   65    HZ   PHE   7           HZ       PHE   7 -14.438   5.574   5.949
   66    H    ALA   8           H        ALA   8 -11.229   0.493   3.873
   67    HA   ALA   8           HA       ALA   8  -9.216  -1.155   2.529
   68   1HB   ALA   8          1HB       ALA   8 -11.832  -2.380   2.781
   69   2HB   ALA   8          2HB       ALA   8 -11.134  -1.944   4.339
   70   3HB   ALA   8          3HB       ALA   8 -10.245  -2.998   3.239
   71    H    TYR   9           H        TYR   9  -9.404  -1.570   0.367
   72    HA   TYR   9           HA       TYR   9 -11.800  -0.599  -1.023
   73   1HB   TYR   9          2HB       TYR   9  -9.910   1.097  -1.104
   74   2HB   TYR   9          1HB       TYR   9  -9.009  -0.083  -2.056
   75    HD1  TYR   9           1HD      TYR   9  -8.865   0.849  -4.185
   76    HD2  TYR   9           2HD      TYR   9 -12.625   0.807  -2.195
   77    HE1  TYR   9           1HE      TYR   9  -9.952   1.670  -6.233
   78    HE2  TYR   9           2HE      TYR   9 -13.722   1.626  -4.238
   79    HH   TYR   9           HH       TYR   9 -12.016   2.896  -6.858
   80    H    VAL  10           H        VAL  10 -12.550  -2.006  -2.497
   81    HA   VAL  10           HA       VAL  10 -10.910  -4.343  -3.092
   82    HB   VAL  10           HB       VAL  10 -13.105  -5.303  -3.943
   83   1HG1  VAL  10          1HG1      VAL  10 -12.607  -6.279  -1.967
   84   2HG1  VAL  10          2HG1      VAL  10 -13.979  -5.324  -1.403
   85   3HG1  VAL  10          3HG1      VAL  10 -12.335  -4.739  -1.151
   86   1HG2  VAL  10          1HG2      VAL  10 -14.003  -2.748  -3.765
   87   2HG2  VAL  10          2HG2      VAL  10 -14.608  -3.427  -2.254
   88   3HG2  VAL  10          3HG2      VAL  10 -15.043  -4.171  -3.793
   89    H    ALA  11           H        ALA  11  -9.759  -4.123  -4.903
   90    HA   ALA  11           HA       ALA  11 -10.926  -4.002  -7.435
   91   1HB   ALA  11          1HB       ALA  11  -9.585  -1.399  -6.738
   92   2HB   ALA  11          2HB       ALA  11 -11.334  -1.623  -6.737
   93   3HB   ALA  11          3HB       ALA  11 -10.422  -1.818  -8.232
   94    H    GLU  12           H        GLU  12  -9.537  -5.302  -8.458
   95    HA   GLU  12           HA       GLU  12  -6.659  -4.776  -8.097
   96   1HB   GLU  12          2HB       GLU  12  -7.887  -7.455  -8.743
   97   2HB   GLU  12          1HB       GLU  12  -6.209  -7.123  -8.342
   98   1HG   GLU  12          2HG       GLU  12  -6.604  -7.295  -6.168
   99   2HG   GLU  12          1HG       GLU  12  -7.987  -6.206  -6.261
  100    H    ARG  13           H        ARG  13  -5.769  -3.983  -9.828
  101    HA   ARG  13           HA       ARG  13  -6.167  -5.139 -12.420
  102   1HB   ARG  13          2HB       ARG  13  -7.876  -3.706 -12.884
  103   2HB   ARG  13          1HB       ARG  13  -7.376  -2.554 -11.655
  104   1HG   ARG  13          2HG       ARG  13  -5.584  -2.697 -13.981
  105   2HG   ARG  13          1HG       ARG  13  -7.221  -2.150 -14.336
  106   1HD   ARG  13          2HD       ARG  13  -6.457  -0.850 -11.981
  107   2HD   ARG  13          1HD       ARG  13  -5.068  -0.751 -13.057
  108    HE   ARG  13           HE       ARG  13  -7.524  -0.067 -14.356
  109   1HH1  ARG  13          1HH1      ARG  13  -4.971   1.158 -12.315
  110   2HH1  ARG  13          2HH1      ARG  13  -5.206   2.805 -12.797
  111   1HH2  ARG  13          1HH2      ARG  13  -7.833   2.099 -14.990
  112   2HH2  ARG  13          2HH2      ARG  13  -6.832   3.339 -14.314
  113    H    GLU  14           H        GLU  14  -4.539  -4.309 -13.984
  114    HA   GLU  14           HA       GLU  14  -2.009  -4.071 -12.849
  115   1HB   GLU  14          2HB       GLU  14  -1.262  -3.290 -15.082
  116   2HB   GLU  14          1HB       GLU  14  -2.288  -4.714 -15.175
  117   1HG   GLU  14          2HG       GLU  14  -4.025  -2.537 -15.364
  118   2HG   GLU  14          1HG       GLU  14  -2.635  -2.124 -16.366
  119    H    ASP  15           H        ASP  15  -1.510  -2.539 -11.437
  120    HA   ASP  15           HA       ASP  15  -0.699  -0.415 -10.901
  121   1HB   ASP  15          2HB       ASP  15  -1.437   0.176 -13.436
  122   2HB   ASP  15          1HB       ASP  15  -2.653   1.089 -12.542
  123    H    GLU  16           H        GLU  16  -3.378  -1.991 -10.340
  124    HA   GLU  16           HA       GLU  16  -4.477   0.044  -8.534
  125   1HB   GLU  16          2HB       GLU  16  -6.211  -0.141 -10.078
  126   2HB   GLU  16          1HB       GLU  16  -5.872  -1.831 -10.402
  127   1HG   GLU  16          2HG       GLU  16  -7.338  -2.510  -8.902
  128   2HG   GLU  16          1HG       GLU  16  -6.686  -1.427  -7.675
  129    H    LEU  17           H        LEU  17  -4.808  -0.612  -6.459
  130    HA   LEU  17           HA       LEU  17  -4.396  -3.461  -5.851
  131   1HB   LEU  17          2HB       LEU  17  -2.849  -3.035  -4.199
  132   2HB   LEU  17          1HB       LEU  17  -2.414  -1.841  -5.414
  133    HG   LEU  17           HG       LEU  17  -4.121  -0.370  -3.951
  134   1HD1  LEU  17          1HD1      LEU  17  -4.469  -2.303  -2.404
  135   2HD1  LEU  17          2HD1      LEU  17  -3.919  -0.822  -1.623
  136   3HD1  LEU  17          3HD1      LEU  17  -2.784  -2.139  -1.917
  137   1HD2  LEU  17          1HD2      LEU  17  -2.296   0.851  -3.500
  138   2HD2  LEU  17          2HD2      LEU  17  -1.457  -0.346  -4.483
  139   3HD2  LEU  17          3HD2      LEU  17  -1.461  -0.496  -2.728
  140    H    SER  18           H        SER  18  -5.441  -4.244  -3.973
  141    HA   SER  18           HA       SER  18  -7.775  -2.683  -3.217
  142   1HB   SER  18          2HB       SER  18  -8.878  -4.654  -2.897
  143   2HB   SER  18          1HB       SER  18  -7.593  -5.291  -3.926
  144    HG   SER  18           HG       SER  18  -6.437  -5.738  -1.936
  145    H    LEU  19           H        LEU  19  -8.097  -1.897  -1.176
  146    HA   LEU  19           HA       LEU  19  -5.837  -2.127   0.659
  147   1HB   LEU  19          2HB       LEU  19  -8.197  -0.342   1.123
  148   2HB   LEU  19          1HB       LEU  19  -6.536  -0.142   1.655
  149    HG   LEU  19           HG       LEU  19  -7.207  -0.020  -1.264
  150   1HD1  LEU  19          1HD1      LEU  19  -8.052   2.063  -1.183
  151   2HD1  LEU  19          2HD1      LEU  19  -7.050   2.530   0.191
  152   3HD1  LEU  19          3HD1      LEU  19  -8.523   1.596   0.452
  153   1HD2  LEU  19          1HD2      LEU  19  -5.189   1.695   0.042
  154   2HD2  LEU  19          2HD2      LEU  19  -5.135   0.849  -1.505
  155   3HD2  LEU  19          3HD2      LEU  19  -4.846  -0.034  -0.007
  156    H    VAL  20           H        VAL  20  -6.065  -2.604   2.859
  157    HA   VAL  20           HA       VAL  20  -8.168  -4.530   3.421
  158    HB   VAL  20           HB       VAL  20  -5.992  -3.779   5.345
  159   1HG1  VAL  20          1HG1      VAL  20  -6.306  -6.472   5.452
  160   2HG1  VAL  20          2HG1      VAL  20  -7.934  -5.952   5.016
  161   3HG1  VAL  20          3HG1      VAL  20  -7.166  -5.323   6.474
  162   1HG2  VAL  20          1HG2      VAL  20  -5.689  -5.108   2.735
  163   2HG2  VAL  20          2HG2      VAL  20  -4.926  -5.927   4.099
  164   3HG2  VAL  20          3HG2      VAL  20  -4.500  -4.257   3.724
  165    H    LYS  21           H        LYS  21  -9.187  -4.514   5.612
  166    HA   LYS  21           HA       LYS  21 -10.358  -1.934   6.103
  167   1HB   LYS  21          2HB       LYS  21 -10.752  -4.496   7.651
  168   2HB   LYS  21          1HB       LYS  21 -11.802  -3.088   7.659
  169   1HG   LYS  21          2HG       LYS  21 -12.990  -4.249   6.164
  170   2HG   LYS  21          1HG       LYS  21 -11.774  -3.683   5.021
  171   1HD   LYS  21          2HD       LYS  21 -12.144  -6.092   4.809
  172   2HD   LYS  21          1HD       LYS  21 -10.501  -5.742   5.336
  173   1HE   LYS  21          2HE       LYS  21 -11.758  -7.638   6.512
  174   2HE   LYS  21          1HE       LYS  21 -10.915  -6.459   7.515
  175   1HZ   LYS  21          1HZ       LYS  21 -13.378  -7.161   8.013
  176   2HZ   LYS  21          2HZ       LYS  21 -13.729  -5.963   6.871
  177   3HZ   LYS  21          3HZ       LYS  21 -12.857  -5.571   8.266
  178    H    GLY  22           H        GLY  22  -8.054  -4.046   7.719
  179   1HA   GLY  22          2HA       GLY  22  -6.952  -1.894   9.203
  180   2HA   GLY  22          1HA       GLY  22  -7.964  -2.891  10.230
  181    H    SER  23           H        SER  23  -5.377  -3.199   7.853
  182    HA   SER  23           HA       SER  23  -4.068  -5.120   9.615
  183   1HB   SER  23          2HB       SER  23  -5.209  -5.732   7.096
  184   2HB   SER  23          1HB       SER  23  -3.455  -5.797   6.911
  185    HG   SER  23           HG       SER  23  -5.143  -7.338   8.528
  186    H    ARG  24           H        ARG  24  -1.790  -5.607   8.211
  187    HA   ARG  24           HA       ARG  24  -0.627  -2.929   7.876
  188   1HB   ARG  24          2HB       ARG  24   0.618  -5.357   9.105
  189   2HB   ARG  24          1HB       ARG  24   1.479  -3.867   8.777
  190   1HG   ARG  24          2HG       ARG  24  -0.982  -3.559  10.345
  191   2HG   ARG  24          1HG       ARG  24   0.303  -4.481  11.136
  192   1HD   ARG  24          2HD       ARG  24   1.724  -2.410  10.142
  193   2HD   ARG  24          1HD       ARG  24   0.174  -1.621  10.428
  194    HE   ARG  24           HE       ARG  24   0.880  -3.110  12.702
  195   1HH1  ARG  24          1HH1      ARG  24   1.860  -0.248  10.962
  196   2HH1  ARG  24          2HH1      ARG  24   2.489   0.543  12.368
  197   1HH2  ARG  24          1HH2      ARG  24   1.707  -2.070  14.553
  198   2HH2  ARG  24          2HH2      ARG  24   2.401  -0.490  14.407
  199    H    VAL  25           H        VAL  25   0.749  -2.564   6.219
  200    HA   VAL  25           HA       VAL  25   1.438  -4.802   4.441
  201    HB   VAL  25           HB       VAL  25   0.403  -2.142   3.458
  202   1HG1  VAL  25          1HG1      VAL  25   1.330  -4.648   2.128
  203   2HG1  VAL  25          2HG1      VAL  25   1.757  -2.975   1.779
  204   3HG1  VAL  25          3HG1      VAL  25   0.167  -3.593   1.330
  205   1HG2  VAL  25          1HG2      VAL  25  -1.041  -4.789   3.509
  206   2HG2  VAL  25          2HG2      VAL  25  -1.651  -3.272   2.849
  207   3HG2  VAL  25          3HG2      VAL  25  -1.372  -3.430   4.583
  208    H    THR  26           H        THR  26   3.283  -4.293   2.988
  209    HA   THR  26           HA       THR  26   5.071  -2.391   4.313
  210    HB   THR  26           HB       THR  26   6.880  -3.538   3.233
  211    HG1  THR  26           1HG      THR  26   5.465  -3.909   1.305
  212   1HG2  THR  26          1HG2      THR  26   6.559  -4.882   5.014
  213   2HG2  THR  26          2HG2      THR  26   6.136  -6.038   3.752
  214   3HG2  THR  26          3HG2      THR  26   4.866  -5.179   4.623
  215    H    VAL  27           H        VAL  27   4.497  -0.431   3.526
  216    HA   VAL  27           HA       VAL  27   4.520  -0.057   0.617
  217    HB   VAL  27           HB       VAL  27   2.496   0.720   1.746
  218   1HG1  VAL  27          1HG1      VAL  27   4.171   1.496   3.774
  219   2HG1  VAL  27          2HG1      VAL  27   2.467   1.921   3.626
  220   3HG1  VAL  27          3HG1      VAL  27   3.707   3.031   3.042
  221   1HG2  VAL  27          1HG2      VAL  27   3.584   3.336   1.078
  222   2HG2  VAL  27          2HG2      VAL  27   2.302   2.409   0.298
  223   3HG2  VAL  27          3HG2      VAL  27   3.988   2.100  -0.113
  224    H    MET  28           H        MET  28   6.608   0.318   0.000
  225    HA   MET  28           HA       MET  28   7.740   2.831   0.661
  226   1HB   MET  28          2HB       MET  28   9.918   1.828   1.567
  227   2HB   MET  28          1HB       MET  28   8.542   1.932   2.665
  228   1HG   MET  28          2HG       MET  28   8.380  -0.549   1.341
  229   2HG   MET  28          1HG       MET  28  10.045  -0.352   1.879
  230   1HE   MET  28          1HE       MET  28  10.848  -0.103   4.109
  231   2HE   MET  28          2HE       MET  28  10.453  -1.821   4.173
  232   3HE   MET  28          3HE       MET  28  10.046  -0.772   5.530
  233    H    GLU  29           H        GLU  29   8.039   3.287  -1.420
  234    HA   GLU  29           HA       GLU  29  10.122   1.806  -2.833
  235   1HB   GLU  29          2HB       GLU  29   8.027   0.895  -3.702
  236   2HB   GLU  29          1HB       GLU  29   7.446   2.517  -4.054
  237   1HG   GLU  29          2HG       GLU  29   8.213   1.438  -6.072
  238   2HG   GLU  29          1HG       GLU  29   9.253   2.803  -5.681
  239    H    LYS  30           H        LYS  30  11.018   3.084  -4.670
  240    HA   LYS  30           HA       LYS  30  10.483   5.942  -4.431
  241   1HB   LYS  30          2HB       LYS  30  13.174   4.599  -4.291
  242   2HB   LYS  30          1HB       LYS  30  12.999   6.292  -4.734
  243   1HG   LYS  30          2HG       LYS  30  12.530   6.937  -2.626
  244   2HG   LYS  30          1HG       LYS  30  11.624   5.464  -2.263
  245   1HD   LYS  30          2HD       LYS  30  13.975   4.334  -2.373
  246   2HD   LYS  30          1HD       LYS  30  14.566   5.975  -2.101
  247   1HE   LYS  30          2HE       LYS  30  12.417   5.406  -0.292
  248   2HE   LYS  30          1HE       LYS  30  13.627   4.129  -0.193
  249   1HZ   LYS  30          1HZ       LYS  30  13.826   6.936   0.547
  250   2HZ   LYS  30          2HZ       LYS  30  15.197   6.258  -0.174
  251   3HZ   LYS  30          3HZ       LYS  30  14.561   5.577   1.239
  252    H    CYS  31           H        CYS  31   9.420   6.056  -6.341
  253    HA   CYS  31           HA       CYS  31  10.845   5.185  -8.759
  254   1HB   CYS  31          2HB       CYS  31   8.504   4.305  -8.264
  255   2HB   CYS  31          1HB       CYS  31   7.929   5.937  -8.585
  256    HG   CYS  31           HG       CYS  31   7.893   4.248 -10.715
  257    H    SER  32           H        SER  32  10.733   6.575 -10.648
  258    HA   SER  32           HA       SER  32  11.146   9.344  -9.930
  259   1HB   SER  32          2HB       SER  32  12.415   7.832 -11.713
  260   2HB   SER  32          1HB       SER  32  11.151   8.450 -12.777
  261    HG   SER  32           HG       SER  32  13.354   9.663 -12.128
  262    H    ASP  33           H        ASP  33   8.485   7.516 -10.717
  263    HA   ASP  33           HA       ASP  33   7.096   9.803 -11.934
  264   1HB   ASP  33          2HB       ASP  33   7.043   6.957 -12.475
  265   2HB   ASP  33          1HB       ASP  33   5.425   7.559 -12.109
  266    H    GLY  34           H        GLY  34   4.661   9.749 -11.372
  267   1HA   GLY  34          2HA       GLY  34   4.417  10.283  -8.613
  268   2HA   GLY  34          1HA       GLY  34   3.089  10.202  -9.764
  269    H    TRP  35           H        TRP  35   3.735   7.404 -10.494
  270    HA   TRP  35           HA       TRP  35   2.213   6.162  -8.387
  271   1HB   TRP  35          2HB       TRP  35   2.056   4.256  -9.828
  272   2HB   TRP  35          1HB       TRP  35   1.860   5.690 -10.829
  273    HD1  TRP  35           HD       TRP  35   3.936   6.322 -12.469
  274    HE1  TRP  35           1HE      TRP  35   5.759   4.832 -13.512
  275    HE3  TRP  35           3HE      TRP  35   3.482   2.237  -9.429
  276    HZ2  TRP  35           2HZ      TRP  35   6.856   2.262 -13.100
  277    HZ3  TRP  35           3HZ      TRP  35   4.953   0.305  -9.821
  278    HH2  TRP  35           HH       TRP  35   6.605   0.318 -11.619
  279    H    TRP  36           H        TRP  36   2.957   4.997  -6.746
  280    HA   TRP  36           HA       TRP  36   5.798   4.295  -6.718
  281   1HB   TRP  36          2HB       TRP  36   3.936   5.320  -4.673
  282   2HB   TRP  36          1HB       TRP  36   5.044   4.072  -4.121
  283    HD1  TRP  36           HD       TRP  36   7.034   5.757  -6.585
  284    HE1  TRP  36           1HE      TRP  36   8.505   7.598  -5.549
  285    HE3  TRP  36           3HE      TRP  36   4.693   6.226  -2.062
  286    HZ2  TRP  36           2HZ      TRP  36   8.652   9.058  -3.140
  287    HZ3  TRP  36           3HZ      TRP  36   5.563   7.867  -0.449
  288    HH2  TRP  36           HH       TRP  36   7.501   9.253  -0.978
  289    H    ARG  37           H        ARG  37   6.460   2.287  -5.915
  290    HA   ARG  37           HA       ARG  37   4.470   0.179  -6.231
  291   1HB   ARG  37          2HB       ARG  37   6.850   0.198  -7.306
  292   2HB   ARG  37          1HB       ARG  37   7.366  -0.346  -5.714
  293   1HG   ARG  37          2HG       ARG  37   7.000  -2.384  -6.559
  294   2HG   ARG  37          1HG       ARG  37   5.328  -2.038  -6.147
  295   1HD   ARG  37          2HD       ARG  37   4.700  -2.012  -8.284
  296   2HD   ARG  37          1HD       ARG  37   6.044  -0.964  -8.741
  297    HE   ARG  37           HE       ARG  37   7.193  -2.809  -9.454
  298   1HH1  ARG  37          1HH1      ARG  37   4.543  -3.850  -7.436
  299   2HH1  ARG  37          2HH1      ARG  37   4.766  -5.529  -7.793
  300   1HH2  ARG  37          1HH2      ARG  37   7.488  -5.018  -9.925
  301   2HH2  ARG  37          2HH2      ARG  37   6.438  -6.193  -9.205
  302    H    GLY  38           H        GLY  38   4.197  -1.478  -4.703
  303   1HA   GLY  38          2HA       GLY  38   5.314  -1.011  -2.034
  304   2HA   GLY  38          1HA       GLY  38   3.563  -0.964  -2.201
  305    H    SER  39           H        SER  39   5.006  -2.766  -0.550
  306    HA   SER  39           HA       SER  39   4.373  -5.297  -1.900
  307   1HB   SER  39          2HB       SER  39   6.639  -4.624  -0.037
  308   2HB   SER  39          1HB       SER  39   6.070  -6.288  -0.219
  309    HG   SER  39           HG       SER  39   7.209  -4.588  -2.167
  310    H    TYR  40           H        TYR  40   3.477  -6.970  -0.627
  311    HA   TYR  40           HA       TYR  40   2.435  -6.132   1.977
  312   1HB   TYR  40          2HB       TYR  40   0.459  -7.705   0.573
  313   2HB   TYR  40          1HB       TYR  40   0.290  -6.138   1.348
  314    HD1  TYR  40           1HD      TYR  40  -0.222  -7.763  -1.620
  315    HD2  TYR  40           2HD      TYR  40   1.559  -4.191  -0.159
  316    HE1  TYR  40           1HE      TYR  40  -0.526  -6.720  -3.821
  317    HE2  TYR  40           2HE      TYR  40   1.262  -3.138  -2.357
  318    HH   TYR  40           HH       TYR  40  -0.715  -3.941  -4.529
  319    H    ASN  41           H        ASN  41   2.354  -7.684   3.494
  320    HA   ASN  41           HA       ASN  41   3.844 -10.038   3.168
  321   1HB   ASN  41          2HB       ASN  41   2.378 -10.666   5.353
  322   2HB   ASN  41          1HB       ASN  41   3.777  -9.597   5.399
  323   1HD2  ASN  41          1HD2      ASN  41   0.573  -8.899   4.103
  324   2HD2  ASN  41          2HD2      ASN  41   0.205  -7.631   5.217
  325    H    GLY  42           H        GLY  42   3.036 -11.092   1.345
  326   1HA   GLY  42          2HA       GLY  42   1.783 -13.297   1.234
  327   2HA   GLY  42          1HA       GLY  42   0.384 -12.307   1.628
  328    H    GLN  43           H        GLN  43   1.830 -10.157  -0.083
  329    HA   GLN  43           HA       GLN  43   1.800 -11.105  -2.749
  330   1HB   GLN  43          2HB       GLN  43  -0.261  -9.381  -3.167
  331   2HB   GLN  43          1HB       GLN  43  -0.438 -11.130  -3.045
  332   1HG   GLN  43          2HG       GLN  43  -1.109 -10.987  -0.783
  333   2HG   GLN  43          1HG       GLN  43  -0.670  -9.281  -0.690
  334   1HE2  GLN  43          1HE2      GLN  43  -3.043 -11.581  -1.575
  335   2HE2  GLN  43          2HE2      GLN  43  -4.275 -10.462  -2.054
  336    H    ILE  44           H        ILE  44   2.183  -9.387  -4.292
  337    HA   ILE  44           HA       ILE  44   3.008  -6.844  -3.083
  338    HB   ILE  44           HB       ILE  44   4.666  -8.782  -4.622
  339   1HG1  ILE  44          2HG1      ILE  44   6.395  -7.815  -3.037
  340   2HG1  ILE  44          1HG1      ILE  44   5.073  -6.900  -2.317
  341   1HG2  ILE  44          1HG2      ILE  44   5.062  -5.794  -4.751
  342   2HG2  ILE  44          2HG2      ILE  44   4.733  -6.875  -6.105
  343   3HG2  ILE  44          3HG2      ILE  44   6.262  -6.990  -5.236
  344   1HD1  ILE  44          1HD1      ILE  44   4.420  -9.700  -2.517
  345   2HD1  ILE  44          2HD1      ILE  44   4.420  -8.634  -1.111
  346   3HD1  ILE  44          3HD1      ILE  44   5.910  -9.436  -1.611
  347    H    GLY  45           H        GLY  45   3.240  -5.073  -4.627
  348   1HA   GLY  45          2HA       GLY  45   2.660  -5.137  -7.325
  349   2HA   GLY  45          1HA       GLY  45   1.096  -5.067  -6.524
  350    H    TRP  46           H        TRP  46   0.299  -3.126  -6.131
  351    HA   TRP  46           HA       TRP  46   2.033  -0.788  -6.463
  352   1HB   TRP  46          2HB       TRP  46  -0.162  -1.192  -7.763
  353   2HB   TRP  46          1HB       TRP  46  -0.972  -0.751  -6.263
  354    HD1  TRP  46           HD       TRP  46   2.181   1.037  -7.564
  355    HE1  TRP  46           1HE      TRP  46   1.568   3.487  -8.066
  356    HE3  TRP  46           3HE      TRP  46  -2.866   0.788  -6.784
  357    HZ2  TRP  46           2HZ      TRP  46  -0.750   5.098  -8.127
  358    HZ3  TRP  46           3HZ      TRP  46  -4.209   2.828  -7.087
  359    HH2  TRP  46           HH       TRP  46  -3.172   4.938  -7.743
  360    H    PHE  47           H        PHE  47   2.153   0.861  -4.958
  361    HA   PHE  47           HA       PHE  47   1.982   0.115  -2.251
  362   1HB   PHE  47          2HB       PHE  47   2.838   2.255  -1.734
  363   2HB   PHE  47          1HB       PHE  47   3.545   1.826  -3.288
  364    HD1  PHE  47           1HD      PHE  47   2.960   4.572  -1.793
  365    HD2  PHE  47           2HD      PHE  47   1.186   2.489  -5.053
  366    HE1  PHE  47           1HE      PHE  47   2.166   6.707  -2.721
  367    HE2  PHE  47           2HE      PHE  47   0.391   4.621  -5.984
  368    HZ   PHE  47           HZ       PHE  47   0.879   6.733  -4.820
  369    HA   PRO  48           HA       PRO  48  -2.279   1.237  -1.560
  370   1HB   PRO  48          2HB       PRO  48  -2.535   0.205   0.877
  371   2HB   PRO  48          1HB       PRO  48  -2.269  -0.845  -0.518
  372   1HG   PRO  48          2HG       PRO  48  -0.340   0.041   1.575
  373   2HG   PRO  48          1HG       PRO  48  -0.487  -1.535   0.780
  374   1HD   PRO  48          2HD       PRO  48   1.330   0.481   0.101
  375   2HD   PRO  48          1HD       PRO  48   0.896  -0.910  -0.910
  376    H    SER  49           H        SER  49   0.244   2.925  -0.557
  377    HA   SER  49           HA       SER  49  -0.180   4.153   1.814
  378   1HB   SER  49          2HB       SER  49   1.236   4.727  -0.577
  379   2HB   SER  49          1HB       SER  49   0.498   6.222   0.007
  380    HG   SER  49           HG       SER  49   1.452   5.725   2.071
  381    H    ASN  50           H        ASN  50  -2.370   4.332  -0.840
  382    HA   ASN  50           HA       ASN  50  -3.499   6.763  -0.817
  383   1HB   ASN  50          2HB       ASN  50  -4.544   4.032  -1.135
  384   2HB   ASN  50          1HB       ASN  50  -5.746   5.287  -0.867
  385   1HD2  ASN  50          1HD2      ASN  50  -6.318   6.546  -2.509
  386   2HD2  ASN  50          2HD2      ASN  50  -5.568   6.547  -4.062
  387    H    TYR  51           H        TYR  51  -3.738   4.377   1.729
  388    HA   TYR  51           HA       TYR  51  -4.505   6.418   3.591
  389   1HB   TYR  51          2HB       TYR  51  -6.407   4.095   3.192
  390   2HB   TYR  51          1HB       TYR  51  -6.568   5.396   4.370
  391    HD1  TYR  51           1HD      TYR  51  -7.083   7.707   3.581
  392    HD2  TYR  51           2HD      TYR  51  -7.149   4.363   0.952
  393    HE1  TYR  51           1HE      TYR  51  -8.395   9.013   1.961
  394    HE2  TYR  51           2HE      TYR  51  -8.459   5.661  -0.675
  395    HH   TYR  51           HH       TYR  51  -8.660   8.750  -0.831
  396    H    VAL  52           H        VAL  52  -2.243   5.378   3.854
  397    HA   VAL  52           HA       VAL  52  -2.519   3.395   5.976
  398    HB   VAL  52           HB       VAL  52  -0.997   1.883   5.170
  399   1HG1  VAL  52          1HG1      VAL  52  -1.420   1.665   2.652
  400   2HG1  VAL  52          2HG1      VAL  52  -2.445   3.086   2.844
  401   3HG1  VAL  52          3HG1      VAL  52  -2.809   1.610   3.736
  402   1HG2  VAL  52          1HG2      VAL  52   0.196   4.209   3.752
  403   2HG2  VAL  52          2HG2      VAL  52   0.462   2.600   3.079
  404   3HG2  VAL  52          3HG2      VAL  52   0.970   2.962   4.729
  405    H    LEU  53           H        LEU  53  -0.554   3.176   7.316
  406    HA   LEU  53           HA       LEU  53   0.731   5.781   7.667
  407   1HB   LEU  53          2HB       LEU  53  -0.512   4.857   9.574
  408   2HB   LEU  53          1HB       LEU  53   0.513   3.444   9.533
  409    HG   LEU  53           HG       LEU  53   2.427   4.784  10.129
  410   1HD1  LEU  53          1HD1      LEU  53   1.936   7.183  10.857
  411   2HD1  LEU  53          2HD1      LEU  53   0.478   7.038   9.878
  412   3HD1  LEU  53          3HD1      LEU  53   2.065   6.857   9.129
  413   1HD2  LEU  53          1HD2      LEU  53   1.940   4.956  12.365
  414   2HD2  LEU  53          2HD2      LEU  53   0.627   3.914  11.813
  415   3HD2  LEU  53          3HD2      LEU  53   0.340   5.636  12.070
  416    H    GLU  54           H        GLU  54   2.748   5.935   6.856
  417    HA   GLU  54           HA       GLU  54   4.299   3.462   6.560
  418   1HB   GLU  54          2HB       GLU  54   3.820   4.777   4.517
  419   2HB   GLU  54          1HB       GLU  54   4.733   6.116   5.198
  420   1HG   GLU  54          2HG       GLU  54   6.304   3.721   5.279
  421   2HG   GLU  54          1HG       GLU  54   5.686   3.990   3.646
  422    H    GLU  55           H        GLU  55   6.233   3.177   7.466
  423    HA   GLU  55           HA       GLU  55   7.433   5.397   8.944
  424   1HB   GLU  55          2HB       GLU  55   7.714   2.625   9.980
  425   2HB   GLU  55          1HB       GLU  55   7.695   4.143  10.861
  426   1HG   GLU  55          2HG       GLU  55   5.180   4.067   9.909
  427   2HG   GLU  55          1HG       GLU  55   5.517   2.352  10.117
  428    H    VAL  56           H        VAL  56   9.369   5.826   8.080
  429    HA   VAL  56           HA       VAL  56  10.736   3.842   6.501
  430    HB   VAL  56           HB       VAL  56  11.831   6.560   7.170
  431   1HG1  VAL  56          1HG1      VAL  56  12.856   6.334   4.939
  432   2HG1  VAL  56          2HG1      VAL  56  12.138   4.729   4.791
  433   3HG1  VAL  56          3HG1      VAL  56  13.345   5.044   6.038
  434   1HG2  VAL  56          1HG2      VAL  56   9.629   7.047   6.426
  435   2HG2  VAL  56          2HG2      VAL  56   9.725   5.846   5.139
  436   3HG2  VAL  56          3HG2      VAL  56  10.696   7.316   5.048
  437    H    ASP  57           H        ASP  57  11.144   2.355   8.270
  438    HA   ASP  57           HA       ASP  57  12.757   3.014  10.485
  439   1HB   ASP  57          2HB       ASP  57  11.298   0.978  10.283
  440   2HB   ASP  57          1HB       ASP  57  12.494   0.299   9.184
  Start of MODEL    2
    1   1H    ILE   1          1HT       ILE   1  10.049  -2.785   7.744
    2   2H    ILE   1          2HT       ILE   1   9.355  -4.085   8.622
    3   3H    ILE   1          3HT       ILE   1  10.579  -3.119   9.340
    4    HA   ILE   1           HA       ILE   1   8.365  -2.636  10.145
    5    HB   ILE   1           HB       ILE   1   8.526  -0.086   9.342
    6   1HG1  ILE   1          2HG1      ILE   1  11.024   0.355   9.008
    7   2HG1  ILE   1          1HG1      ILE   1  11.162  -1.352   8.603
    8   1HG2  ILE   1          1HG2      ILE   1  10.724  -1.056  11.103
    9   2HG2  ILE   1          2HG2      ILE   1   9.048  -1.323  11.584
   10   3HG2  ILE   1          3HG2      ILE   1   9.636   0.317  11.307
   11   1HD1  ILE   1          1HD1      ILE   1   9.219   0.420   7.181
   12   2HD1  ILE   1          2HD1      ILE   1   9.918  -1.112   6.657
   13   3HD1  ILE   1          3HD1      ILE   1  10.915   0.342   6.703
   14    HA   PRO   2           HA       PRO   2   5.412  -2.637   6.751
   15   1HB   PRO   2          2HB       PRO   2   3.268  -3.355   8.161
   16   2HB   PRO   2          1HB       PRO   2   4.571  -4.505   7.847
   17   1HG   PRO   2          2HG       PRO   2   3.965  -2.959  10.328
   18   2HG   PRO   2          1HG       PRO   2   4.525  -4.632  10.158
   19   1HD   PRO   2          2HD       PRO   2   6.140  -2.439  10.737
   20   2HD   PRO   2          1HD       PRO   2   6.710  -3.999  10.115
   21    H    ALA   3           H        ALA   3   2.856  -1.857   6.987
   22    HA   ALA   3           HA       ALA   3   2.917   0.843   8.104
   23   1HB   ALA   3          1HB       ALA   3   1.277   0.977   5.844
   24   2HB   ALA   3          2HB       ALA   3   2.717   0.096   5.336
   25   3HB   ALA   3          3HB       ALA   3   2.873   1.698   6.053
   26    H    PHE   4           H        PHE   4   0.782   1.744   8.580
   27    HA   PHE   4           HA       PHE   4  -1.154  -0.350   9.208
   28   1HB   PHE   4          2HB       PHE   4  -0.007   1.419  10.906
   29   2HB   PHE   4          1HB       PHE   4  -1.484   2.273  10.470
   30    HD1  PHE   4           1HD      PHE   4  -3.284  -0.111  10.121
   31    HD2  PHE   4           2HD      PHE   4  -0.458   0.888  13.143
   32    HE1  PHE   4           1HE      PHE   4  -4.549  -1.459  11.745
   33    HE2  PHE   4           2HE      PHE   4  -1.717  -0.459  14.771
   34    HZ   PHE   4           HZ       PHE   4  -3.765  -1.635  14.073
   35    H    VAL   5           H        VAL   5  -2.856  -0.455   7.915
   36    HA   VAL   5           HA       VAL   5  -3.608   1.781   6.254
   37    HB   VAL   5           HB       VAL   5  -4.952  -0.906   6.540
   38   1HG1  VAL   5          1HG1      VAL   5  -5.515  -0.146   4.045
   39   2HG1  VAL   5          2HG1      VAL   5  -5.389   1.446   4.793
   40   3HG1  VAL   5          3HG1      VAL   5  -6.542   0.266   5.418
   41   1HG2  VAL   5          1HG2      VAL   5  -2.456  -0.729   5.775
   42   2HG2  VAL   5          2HG2      VAL   5  -3.172  -0.182   4.260
   43   3HG2  VAL   5          3HG2      VAL   5  -3.584  -1.771   4.906
   44    H    LYS   6           H        LYS   6  -5.611   2.831   6.240
   45    HA   LYS   6           HA       LYS   6  -7.006   2.780   8.823
   46   1HB   LYS   6          2HB       LYS   6  -7.125   4.968   6.755
   47   2HB   LYS   6          1HB       LYS   6  -7.653   5.047   8.429
   48   1HG   LYS   6          2HG       LYS   6  -5.603   5.528   9.179
   49   2HG   LYS   6          1HG       LYS   6  -4.831   4.357   8.109
   50   1HD   LYS   6          2HD       LYS   6  -4.123   6.633   7.576
   51   2HD   LYS   6          1HD       LYS   6  -5.037   5.927   6.241
   52   1HE   LYS   6          2HE       LYS   6  -7.067   7.096   7.140
   53   2HE   LYS   6          1HE       LYS   6  -6.006   7.927   8.277
   54   1HZ   LYS   6          1HZ       LYS   6  -4.956   9.080   6.574
   55   2HZ   LYS   6          2HZ       LYS   6  -6.580   9.094   6.100
   56   3HZ   LYS   6          3HZ       LYS   6  -5.496   8.019   5.370
   57    H    PHE   7           H        PHE   7  -7.529   2.869   5.352
   58    HA   PHE   7           HA       PHE   7 -10.245   1.871   5.792
   59   1HB   PHE   7          2HB       PHE   7  -9.523   4.276   4.538
   60   2HB   PHE   7          1HB       PHE   7  -9.992   3.177   3.242
   61    HD1  PHE   7           1HD      PHE   7 -11.194   4.170   6.636
   62    HD2  PHE   7           2HD      PHE   7 -12.191   3.195   2.614
   63    HE1  PHE   7           1HE      PHE   7 -13.566   4.606   7.122
   64    HE2  PHE   7           2HE      PHE   7 -14.565   3.631   3.093
   65    HZ   PHE   7           HZ       PHE   7 -15.255   4.337   5.349
   66    H    ALA   8           H        ALA   8 -11.094   0.485   4.105
   67    HA   ALA   8           HA       ALA   8  -8.959  -1.022   2.794
   68   1HB   ALA   8          1HB       ALA   8 -10.051  -2.961   3.222
   69   2HB   ALA   8          2HB       ALA   8 -11.645  -2.216   3.113
   70   3HB   ALA   8          3HB       ALA   8 -10.667  -1.999   4.563
   71    H    TYR   9           H        TYR   9  -9.100  -1.596   0.652
   72    HA   TYR   9           HA       TYR   9 -11.376  -0.534  -0.876
   73   1HB   TYR   9          2HB       TYR   9  -8.984   0.682  -0.952
   74   2HB   TYR   9          1HB       TYR   9  -8.694  -0.565  -2.166
   75    HD1  TYR   9           1HD      TYR   9 -10.170   2.622  -1.498
   76    HD2  TYR   9           2HD      TYR   9 -10.334  -0.726  -4.118
   77    HE1  TYR   9           1HE      TYR   9 -11.332   3.998  -3.173
   78    HE2  TYR   9           2HE      TYR   9 -11.495   0.642  -5.802
   79    HH   TYR   9           HH       TYR   9 -12.962   2.750  -5.769
   80    H    VAL  10           H        VAL  10 -12.373  -2.122  -1.947
   81    HA   VAL  10           HA       VAL  10 -11.026  -4.655  -2.323
   82    HB   VAL  10           HB       VAL  10 -13.221  -5.488  -3.080
   83   1HG1  VAL  10          1HG1      VAL  10 -13.158  -5.904  -0.864
   84   2HG1  VAL  10          2HG1      VAL  10 -14.419  -4.672  -0.807
   85   3HG1  VAL  10          3HG1      VAL  10 -12.745  -4.240  -0.454
   86   1HG2  VAL  10          1HG2      VAL  10 -13.772  -2.648  -3.263
   87   2HG2  VAL  10          2HG2      VAL  10 -15.000  -3.497  -2.323
   88   3HG2  VAL  10          3HG2      VAL  10 -14.637  -4.013  -3.970
   89    H    ALA  11           H        ALA  11  -9.752  -4.808  -4.043
   90    HA   ALA  11           HA       ALA  11 -10.505  -5.053  -6.628
   91   1HB   ALA  11          1HB       ALA  11  -9.674  -2.756  -7.544
   92   2HB   ALA  11          2HB       ALA  11 -10.149  -2.172  -5.949
   93   3HB   ALA  11          3HB       ALA  11 -11.341  -2.942  -6.997
   94    H    GLU  12           H        GLU  12  -8.809  -6.341  -7.130
   95    HA   GLU  12           HA       GLU  12  -6.130  -5.165  -6.753
   96   1HB   GLU  12          2HB       GLU  12  -6.699  -8.126  -6.677
   97   2HB   GLU  12          1HB       GLU  12  -5.211  -7.301  -6.236
   98   1HG   GLU  12          2HG       GLU  12  -5.900  -6.935  -4.154
   99   2HG   GLU  12          1HG       GLU  12  -7.493  -6.398  -4.684
  100    H    ARG  13           H        ARG  13  -5.344  -4.657  -8.620
  101    HA   ARG  13           HA       ARG  13  -5.115  -6.512 -10.771
  102   1HB   ARG  13          2HB       ARG  13  -7.178  -5.824 -11.576
  103   2HB   ARG  13          1HB       ARG  13  -7.026  -4.223 -10.868
  104   1HG   ARG  13          2HG       ARG  13  -5.123  -4.785 -13.026
  105   2HG   ARG  13          1HG       ARG  13  -6.820  -4.769 -13.506
  106   1HD   ARG  13          2HD       ARG  13  -6.157  -2.576 -11.724
  107   2HD   ARG  13          1HD       ARG  13  -5.176  -2.566 -13.187
  108    HE   ARG  13           HE       ARG  13  -7.637  -2.913 -14.181
  109   1HH1  ARG  13          1HH1      ARG  13  -6.397  -0.648 -11.831
  110   2HH1  ARG  13          2HH1      ARG  13  -7.542   0.587 -12.235
  111   1HH2  ARG  13          1HH2      ARG  13  -9.139  -1.288 -14.713
  112   2HH2  ARG  13          2HH2      ARG  13  -9.097   0.225 -13.871
  113    H    GLU  14           H        GLU  14  -3.536  -5.702 -12.373
  114    HA   GLU  14           HA       GLU  14  -1.499  -4.147 -11.177
  115   1HB   GLU  14          2HB       GLU  14  -0.578  -4.064 -13.546
  116   2HB   GLU  14          1HB       GLU  14  -0.853  -5.673 -12.887
  117   1HG   GLU  14          2HG       GLU  14  -3.245  -5.000 -14.136
  118   2HG   GLU  14          1HG       GLU  14  -1.984  -4.417 -15.222
  119    H    ASP  15           H        ASP  15  -1.917  -2.079 -10.614
  120    HA   ASP  15           HA       ASP  15  -1.737   0.160 -11.763
  121   1HB   ASP  15          2HB       ASP  15  -2.932  -0.330 -13.774
  122   2HB   ASP  15          1HB       ASP  15  -4.363  -0.826 -12.872
  123    H    GLU  16           H        GLU  16  -4.524  -1.432 -10.275
  124    HA   GLU  16           HA       GLU  16  -5.003   0.945  -8.660
  125   1HB   GLU  16          2HB       GLU  16  -7.166   0.393  -8.847
  126   2HB   GLU  16          1HB       GLU  16  -6.693  -0.931  -9.892
  127   1HG   GLU  16          2HG       GLU  16  -6.780  -1.219  -6.912
  128   2HG   GLU  16          1HG       GLU  16  -8.206  -1.412  -7.926
  129    H    LEU  17           H        LEU  17  -5.113   0.844  -6.381
  130    HA   LEU  17           HA       LEU  17  -3.539  -1.370  -5.263
  131   1HB   LEU  17          2HB       LEU  17  -2.974   0.257  -3.427
  132   2HB   LEU  17          1HB       LEU  17  -2.309   0.632  -5.008
  133    HG   LEU  17           HG       LEU  17  -4.603   2.081  -5.088
  134   1HD1  LEU  17          1HD1      LEU  17  -4.650   1.275  -2.512
  135   2HD1  LEU  17          2HD1      LEU  17  -5.355   2.782  -3.093
  136   3HD1  LEU  17          3HD1      LEU  17  -3.748   2.783  -2.368
  137   1HD2  LEU  17          1HD2      LEU  17  -3.164   3.774  -5.328
  138   2HD2  LEU  17          2HD2      LEU  17  -1.901   2.564  -5.105
  139   3HD2  LEU  17          3HD2      LEU  17  -2.460   3.519  -3.731
  140    H    SER  18           H        SER  18  -4.576  -2.722  -3.963
  141    HA   SER  18           HA       SER  18  -7.192  -2.051  -2.943
  142   1HB   SER  18          2HB       SER  18  -7.539  -4.316  -2.660
  143   2HB   SER  18          1HB       SER  18  -6.330  -4.342  -3.949
  144    HG   SER  18           HG       SER  18  -5.354  -5.620  -2.568
  145    H    LEU  19           H        LEU  19  -7.780  -2.026  -0.751
  146    HA   LEU  19           HA       LEU  19  -5.531  -1.872   1.146
  147   1HB   LEU  19          2HB       LEU  19  -7.976  -0.159   1.419
  148   2HB   LEU  19          1HB       LEU  19  -6.400   0.043   2.169
  149    HG   LEU  19           HG       LEU  19  -7.005   0.440  -0.756
  150   1HD1  LEU  19          1HD1      LEU  19  -7.019   2.238   1.581
  151   2HD1  LEU  19          2HD1      LEU  19  -7.904   2.345   0.060
  152   3HD1  LEU  19          3HD1      LEU  19  -6.214   2.844   0.134
  153   1HD2  LEU  19          1HD2      LEU  19  -4.519   0.326   0.820
  154   2HD2  LEU  19          2HD2      LEU  19  -4.647   1.648  -0.341
  155   3HD2  LEU  19          3HD2      LEU  19  -4.802  -0.021  -0.886
  156    H    VAL  20           H        VAL  20  -5.955  -2.442   3.298
  157    HA   VAL  20           HA       VAL  20  -8.154  -4.355   3.577
  158    HB   VAL  20           HB       VAL  20  -6.031  -3.955   5.651
  159   1HG1  VAL  20          1HG1      VAL  20  -7.284  -5.575   6.548
  160   2HG1  VAL  20          2HG1      VAL  20  -6.526  -6.638   5.362
  161   3HG1  VAL  20          3HG1      VAL  20  -8.098  -5.916   5.020
  162   1HG2  VAL  20          1HG2      VAL  20  -4.710  -5.734   4.461
  163   2HG2  VAL  20          2HG2      VAL  20  -4.713  -4.151   3.681
  164   3HG2  VAL  20          3HG2      VAL  20  -5.731  -5.447   3.052
  165    H    LYS  21           H        LYS  21  -9.296  -4.462   5.674
  166    HA   LYS  21           HA       LYS  21 -10.247  -1.843   6.412
  167   1HB   LYS  21          2HB       LYS  21 -11.022  -4.586   7.415
  168   2HB   LYS  21          1HB       LYS  21 -11.849  -3.092   7.829
  169   1HG   LYS  21          2HG       LYS  21 -13.149  -4.063   6.151
  170   2HG   LYS  21          1HG       LYS  21 -12.241  -2.791   5.338
  171   1HD   LYS  21          2HD       LYS  21 -12.334  -4.920   4.063
  172   2HD   LYS  21          1HD       LYS  21 -10.696  -4.400   4.432
  173   1HE   LYS  21          2HE       LYS  21 -10.290  -6.193   5.729
  174   2HE   LYS  21          1HE       LYS  21 -11.899  -6.154   6.449
  175   1HZ   LYS  21          1HZ       LYS  21 -11.094  -8.047   4.774
  176   2HZ   LYS  21          2HZ       LYS  21 -11.768  -6.965   3.662
  177   3HZ   LYS  21          3HZ       LYS  21 -12.712  -7.577   4.925
  178    H    GLY  22           H        GLY  22  -8.253  -4.344   7.859
  179   1HA   GLY  22          2HA       GLY  22  -7.288  -2.475   9.812
  180   2HA   GLY  22          1HA       GLY  22  -8.263  -3.754  10.504
  181    H    SER  23           H        SER  23  -5.622  -3.390   8.190
  182    HA   SER  23           HA       SER  23  -4.120  -5.412   9.637
  183   1HB   SER  23          2HB       SER  23  -5.200  -5.708   6.945
  184   2HB   SER  23          1HB       SER  23  -3.472  -6.042   7.047
  185    HG   SER  23           HG       SER  23  -4.132  -7.398   8.935
  186    H    ARG  24           H        ARG  24  -1.847  -5.599   8.334
  187    HA   ARG  24           HA       ARG  24  -0.960  -2.827   7.930
  188   1HB   ARG  24          2HB       ARG  24   0.578  -5.070   9.180
  189   2HB   ARG  24          1HB       ARG  24   1.193  -3.453   8.907
  190   1HG   ARG  24          2HG       ARG  24  -1.297  -3.469  10.405
  191   2HG   ARG  24          1HG       ARG  24  -0.008  -4.378  11.203
  192   1HD   ARG  24          2HD       ARG  24   1.372  -2.198  10.472
  193   2HD   ARG  24          1HD       ARG  24  -0.230  -1.482  10.642
  194    HE   ARG  24           HE       ARG  24  -0.067  -1.739  12.911
  195   1HH1  ARG  24          1HH1      ARG  24   2.393  -3.680  11.376
  196   2HH1  ARG  24          2HH1      ARG  24   3.181  -4.081  12.865
  197   1HH2  ARG  24          1HH2      ARG  24   0.970  -2.265  14.870
  198   2HH2  ARG  24          2HH2      ARG  24   2.375  -3.278  14.847
  199    H    VAL  25           H        VAL  25  -0.044  -2.376   6.054
  200    HA   VAL  25           HA       VAL  25   0.860  -4.616   4.354
  201    HB   VAL  25           HB       VAL  25  -0.049  -1.869   3.475
  202   1HG1  VAL  25          1HG1      VAL  25   0.808  -4.322   1.979
  203   2HG1  VAL  25          2HG1      VAL  25   1.415  -2.673   1.835
  204   3HG1  VAL  25          3HG1      VAL  25  -0.194  -3.076   1.237
  205   1HG2  VAL  25          1HG2      VAL  25  -2.026  -2.815   4.177
  206   2HG2  VAL  25          2HG2      VAL  25  -1.505  -4.454   3.786
  207   3HG2  VAL  25          3HG2      VAL  25  -1.964  -3.343   2.495
  208    H    THR  26           H        THR  26   2.730  -4.067   2.866
  209    HA   THR  26           HA       THR  26   4.580  -2.297   4.321
  210    HB   THR  26           HB       THR  26   5.973  -4.049   4.218
  211    HG1  THR  26           1HG      THR  26   5.905  -3.304   1.545
  212   1HG2  THR  26          1HG2      THR  26   4.064  -5.296   2.290
  213   2HG2  THR  26          2HG2      THR  26   4.350  -5.715   3.976
  214   3HG2  THR  26          3HG2      THR  26   5.582  -6.053   2.761
  215    H    VAL  27           H        VAL  27   4.184  -0.322   3.418
  216    HA   VAL  27           HA       VAL  27   4.405  -0.109   0.497
  217    HB   VAL  27           HB       VAL  27   2.368   0.860   1.518
  218   1HG1  VAL  27          1HG1      VAL  27   2.424   2.738   2.949
  219   2HG1  VAL  27          2HG1      VAL  27   4.155   2.956   2.724
  220   3HG1  VAL  27          3HG1      VAL  27   3.552   1.573   3.637
  221   1HG2  VAL  27          1HG2      VAL  27   3.778   3.258   0.553
  222   2HG2  VAL  27          2HG2      VAL  27   2.292   2.502  -0.024
  223   3HG2  VAL  27          3HG2      VAL  27   3.860   1.846  -0.499
  224    H    MET  28           H        MET  28   6.419   0.391  -0.225
  225    HA   MET  28           HA       MET  28   7.707   2.733   0.724
  226   1HB   MET  28          2HB       MET  28   9.751   1.722   1.615
  227   2HB   MET  28          1HB       MET  28   8.335   1.290   2.573
  228   1HG   MET  28          2HG       MET  28   8.638  -0.668   0.570
  229   2HG   MET  28          1HG       MET  28  10.223  -0.409   1.297
  230   1HE   MET  28          1HE       MET  28  10.002  -3.037   1.912
  231   2HE   MET  28          2HE       MET  28   8.321  -3.149   1.391
  232   3HE   MET  28          3HE       MET  28   8.781  -3.683   3.007
  233    H    GLU  29           H        GLU  29   7.988   3.443  -1.271
  234    HA   GLU  29           HA       GLU  29  10.014   2.127  -2.903
  235   1HB   GLU  29          2HB       GLU  29   7.856   1.421  -3.869
  236   2HB   GLU  29          1HB       GLU  29   7.382   3.107  -4.034
  237   1HG   GLU  29          2HG       GLU  29   8.160   2.140  -6.145
  238   2HG   GLU  29          1HG       GLU  29   9.159   3.493  -5.619
  239    H    LYS  30           H        LYS  30  10.942   3.697  -4.532
  240    HA   LYS  30           HA       LYS  30  10.359   6.464  -3.853
  241   1HB   LYS  30          2HB       LYS  30  12.860   5.051  -3.258
  242   2HB   LYS  30          1HB       LYS  30  13.074   6.592  -4.077
  243   1HG   LYS  30          2HG       LYS  30  12.090   7.793  -2.342
  244   2HG   LYS  30          1HG       LYS  30  11.313   6.357  -1.667
  245   1HD   LYS  30          2HD       LYS  30  14.223   6.150  -1.778
  246   2HD   LYS  30          1HD       LYS  30  13.659   7.492  -0.781
  247   1HE   LYS  30          2HE       LYS  30  13.618   5.846   0.788
  248   2HE   LYS  30          1HE       LYS  30  12.002   5.626   0.119
  249   1HZ   LYS  30          1HZ       LYS  30  14.423   4.004  -0.348
  250   2HZ   LYS  30          2HZ       LYS  30  13.135   3.975  -1.444
  251   3HZ   LYS  30          3HZ       LYS  30  12.892   3.499   0.161
  252    H    CYS  31           H        CYS  31   9.489   6.884  -5.791
  253    HA   CYS  31           HA       CYS  31  11.194   6.581  -8.169
  254   1HB   CYS  31          2HB       CYS  31   8.273   6.413  -7.720
  255   2HB   CYS  31          1HB       CYS  31   8.762   7.283  -9.170
  256    HG   CYS  31           HG       CYS  31   9.211   4.266  -8.667
  257    H    SER  32           H        SER  32  11.210   8.443  -9.684
  258    HA   SER  32           HA       SER  32  11.123  10.933  -8.155
  259   1HB   SER  32          2HB       SER  32  13.173  10.690  -9.324
  260   2HB   SER  32          1HB       SER  32  12.357  10.178 -10.803
  261    HG   SER  32           HG       SER  32  11.973  12.742  -9.673
  262    H    ASP  33           H        ASP  33   9.888   9.582 -11.204
  263    HA   ASP  33           HA       ASP  33   7.533  11.262 -10.942
  264   1HB   ASP  33          2HB       ASP  33   9.623  11.685 -12.978
  265   2HB   ASP  33          1HB       ASP  33   7.975  11.619 -13.609
  266    H    GLY  34           H        GLY  34   6.173   9.450 -10.765
  267   1HA   GLY  34          2HA       GLY  34   5.062   8.331 -12.941
  268   2HA   GLY  34          1HA       GLY  34   6.453   7.300 -12.649
  269    H    TRP  35           H        TRP  35   5.296   5.536 -12.241
  270    HA   TRP  35           HA       TRP  35   3.176   5.398 -10.321
  271   1HB   TRP  35          2HB       TRP  35   3.196   2.998 -10.845
  272   2HB   TRP  35          1HB       TRP  35   3.199   3.976 -12.307
  273    HD1  TRP  35           HD       TRP  35   6.578   4.403 -11.603
  274    HE1  TRP  35           1HE      TRP  35   8.077   2.564 -12.589
  275    HE3  TRP  35           3HE      TRP  35   3.031   0.817 -12.474
  276    HZ2  TRP  35           2HZ      TRP  35   7.808  -0.059 -13.596
  277    HZ3  TRP  35           3HZ      TRP  35   3.737  -1.328 -13.450
  278    HH2  TRP  35           HH       TRP  35   6.078  -1.756 -14.000
  279    H    TRP  36           H        TRP  36   3.226   4.776  -8.243
  280    HA   TRP  36           HA       TRP  36   5.819   4.201  -7.050
  281   1HB   TRP  36          2HB       TRP  36   3.515   5.674  -6.202
  282   2HB   TRP  36          1HB       TRP  36   3.812   4.371  -5.056
  283    HD1  TRP  36           HD       TRP  36   6.400   6.606  -6.887
  284    HE1  TRP  36           1HE      TRP  36   7.894   7.706  -5.094
  285    HE3  TRP  36           3HE      TRP  36   4.079   4.833  -2.693
  286    HZ2  TRP  36           2HZ      TRP  36   8.060   7.807  -2.281
  287    HZ3  TRP  36           3HZ      TRP  36   4.966   5.477  -0.490
  288    HH2  TRP  36           HH       TRP  36   6.916   6.934  -0.290
  289    H    ARG  37           H        ARG  37   6.331   2.242  -6.260
  290    HA   ARG  37           HA       ARG  37   4.308   0.138  -6.461
  291   1HB   ARG  37          2HB       ARG  37   6.674   0.039  -7.559
  292   2HB   ARG  37          1HB       ARG  37   7.191  -0.426  -5.942
  293   1HG   ARG  37          2HG       ARG  37   6.768  -2.494  -6.705
  294   2HG   ARG  37          1HG       ARG  37   5.124  -2.092  -6.236
  295   1HD   ARG  37          2HD       ARG  37   4.399  -2.100  -8.347
  296   2HD   ARG  37          1HD       ARG  37   5.786  -1.170  -8.914
  297    HE   ARG  37           HE       ARG  37   5.431  -3.986  -9.097
  298   1HH1  ARG  37          1HH1      ARG  37   7.860  -1.518  -8.662
  299   2HH1  ARG  37          2HH1      ARG  37   9.136  -2.479  -9.330
  300   1HH2  ARG  37          1HH2      ARG  37   7.107  -5.252  -9.976
  301   2HH2  ARG  37          2HH2      ARG  37   8.708  -4.598 -10.078
  302    H    GLY  38           H        GLY  38   4.021  -1.409  -4.839
  303   1HA   GLY  38          2HA       GLY  38   5.125  -0.757  -2.196
  304   2HA   GLY  38          1HA       GLY  38   3.375  -0.799  -2.386
  305    H    SER  39           H        SER  39   4.611  -2.411  -0.552
  306    HA   SER  39           HA       SER  39   4.414  -5.084  -1.770
  307   1HB   SER  39          2HB       SER  39   5.688  -4.995   0.861
  308   2HB   SER  39          1HB       SER  39   6.233  -5.776  -0.617
  309    HG   SER  39           HG       SER  39   7.631  -4.221  -0.713
  310    H    TYR  40           H        TYR  40   3.448  -6.744  -0.451
  311    HA   TYR  40           HA       TYR  40   1.882  -5.870   1.831
  312   1HB   TYR  40          2HB       TYR  40   0.462  -5.366  -0.130
  313   2HB   TYR  40          1HB       TYR  40   0.568  -7.053  -0.617
  314    HD1  TYR  40           1HD      TYR  40  -0.208  -8.782   1.241
  315    HD2  TYR  40           2HD      TYR  40  -1.364  -4.690   1.097
  316    HE1  TYR  40           1HE      TYR  40  -2.183  -9.297   2.612
  317    HE2  TYR  40           2HE      TYR  40  -3.340  -5.194   2.467
  318    HH   TYR  40           HH       TYR  40  -4.775  -7.221   2.954
  319    H    ASN  41           H        ASN  41   1.284  -7.515   3.192
  320    HA   ASN  41           HA       ASN  41   2.890  -9.801   3.252
  321   1HB   ASN  41          2HB       ASN  41   1.148 -10.595   4.987
  322   2HB   ASN  41          1HB       ASN  41   2.044  -9.114   5.331
  323   1HD2  ASN  41          1HD2      ASN  41   0.995  -7.114   5.096
  324   2HD2  ASN  41          2HD2      ASN  41  -0.726  -6.989   5.125
  325    H    GLY  42           H        GLY  42   2.691 -10.820   1.227
  326   1HA   GLY  42          2HA       GLY  42   1.488 -13.090   0.867
  327   2HA   GLY  42          1HA       GLY  42   0.111 -12.033   0.606
  328    H    GLN  43           H        GLN  43   1.628  -9.963  -0.688
  329    HA   GLN  43           HA       GLN  43   3.031 -10.983  -2.921
  330   1HB   GLN  43          2HB       GLN  43   1.244 -10.264  -4.619
  331   2HB   GLN  43          1HB       GLN  43   1.028 -11.812  -3.806
  332   1HG   GLN  43          2HG       GLN  43  -0.415 -10.467  -2.138
  333   2HG   GLN  43          1HG       GLN  43  -0.460  -9.250  -3.418
  334   1HE2  GLN  43          1HE2      GLN  43  -1.791 -12.095  -2.215
  335   2HE2  GLN  43          2HE2      GLN  43  -2.804 -12.489  -3.562
  336    H    ILE  44           H        ILE  44   3.306  -9.256  -4.646
  337    HA   ILE  44           HA       ILE  44   3.393  -6.625  -3.329
  338    HB   ILE  44           HB       ILE  44   5.289  -8.015  -5.164
  339   1HG1  ILE  44          2HG1      ILE  44   6.912  -6.830  -3.635
  340   2HG1  ILE  44          1HG1      ILE  44   5.513  -6.241  -2.736
  341   1HG2  ILE  44          1HG2      ILE  44   4.881  -6.095  -6.500
  342   2HG2  ILE  44          2HG2      ILE  44   6.385  -5.793  -5.629
  343   3HG2  ILE  44          3HG2      ILE  44   4.888  -5.031  -5.093
  344   1HD1  ILE  44          1HD1      ILE  44   5.141  -8.233  -1.758
  345   2HD1  ILE  44          2HD1      ILE  44   6.853  -8.471  -2.108
  346   3HD1  ILE  44          3HD1      ILE  44   5.631  -9.149  -3.183
  347    H    GLY  45           H        GLY  45   2.970  -4.749  -4.590
  348   1HA   GLY  45          2HA       GLY  45   1.999  -4.972  -7.282
  349   2HA   GLY  45          1HA       GLY  45   0.688  -4.801  -6.122
  350    H    TRP  46           H        TRP  46  -0.035  -2.796  -6.073
  351    HA   TRP  46           HA       TRP  46   1.772  -0.582  -6.653
  352   1HB   TRP  46          2HB       TRP  46  -0.664  -1.135  -7.664
  353   2HB   TRP  46          1HB       TRP  46  -1.141  -0.145  -6.287
  354    HD1  TRP  46           HD       TRP  46  -0.150   2.373  -6.231
  355    HE1  TRP  46           1HE      TRP  46   0.441   3.975  -8.169
  356    HE3  TRP  46           3HE      TRP  46   0.191  -1.041  -9.998
  357    HZ2  TRP  46           2HZ      TRP  46   0.969   3.793 -10.941
  358    HZ3  TRP  46           3HZ      TRP  46   0.741  -0.258 -12.264
  359    HH2  TRP  46           HH       TRP  46   1.121   2.110 -12.725
  360    H    PHE  47           H        PHE  47   2.009   1.175  -5.256
  361    HA   PHE  47           HA       PHE  47   2.003   0.626  -2.525
  362   1HB   PHE  47          2HB       PHE  47   2.793   2.804  -2.184
  363   2HB   PHE  47          1HB       PHE  47   3.338   2.404  -3.811
  364    HD1  PHE  47           1HD      PHE  47   1.567   3.090  -5.696
  365    HD2  PHE  47           2HD      PHE  47   1.904   4.884  -1.859
  366    HE1  PHE  47           1HE      PHE  47   0.480   5.122  -6.558
  367    HE2  PHE  47           2HE      PHE  47   0.818   6.920  -2.708
  368    HZ   PHE  47           HZ       PHE  47   0.104   7.041  -5.062
  369    HA   PRO  48           HA       PRO  48  -2.346   1.513  -1.823
  370   1HB   PRO  48          2HB       PRO  48  -2.642   0.017   0.367
  371   2HB   PRO  48          1HB       PRO  48  -2.455  -0.726  -1.225
  372   1HG   PRO  48          2HG       PRO  48  -0.477  -0.450   0.983
  373   2HG   PRO  48          1HG       PRO  48  -0.686  -1.767  -0.182
  374   1HD   PRO  48          2HD       PRO  48   1.202   0.312  -0.333
  375   2HD   PRO  48          1HD       PRO  48   0.771  -0.814  -1.634
  376    H    SER  49           H        SER  49   0.176   2.948  -0.608
  377    HA   SER  49           HA       SER  49  -0.341   3.705   2.000
  378   1HB   SER  49          2HB       SER  49   1.440   4.425  -0.066
  379   2HB   SER  49          1HB       SER  49   0.762   5.920   0.587
  380    HG   SER  49           HG       SER  49   2.415   5.510   1.922
  381    H    ASN  50           H        ASN  50  -2.336   4.314  -0.641
  382    HA   ASN  50           HA       ASN  50  -3.214   6.854  -0.536
  383   1HB   ASN  50          2HB       ASN  50  -4.459   4.259  -1.077
  384   2HB   ASN  50          1HB       ASN  50  -5.592   5.540  -0.665
  385   1HD2  ASN  50          1HD2      ASN  50  -5.710   7.368  -1.971
  386   2HD2  ASN  50          2HD2      ASN  50  -5.133   7.348  -3.594
  387    H    TYR  51           H        TYR  51  -3.645   4.396   1.896
  388    HA   TYR  51           HA       TYR  51  -4.350   6.420   3.814
  389   1HB   TYR  51          2HB       TYR  51  -6.309   4.164   3.325
  390   2HB   TYR  51          1HB       TYR  51  -6.444   5.422   4.555
  391    HD1  TYR  51           1HD      TYR  51  -6.680   7.841   3.747
  392    HD2  TYR  51           2HD      TYR  51  -7.230   4.480   1.200
  393    HE1  TYR  51           1HE      TYR  51  -7.936   9.250   2.168
  394    HE2  TYR  51           2HE      TYR  51  -8.486   5.877  -0.386
  395    HH   TYR  51           HH       TYR  51  -8.720   8.225  -0.988
  396    H    VAL  52           H        VAL  52  -2.125   5.333   4.064
  397    HA   VAL  52           HA       VAL  52  -2.438   3.310   6.132
  398    HB   VAL  52           HB       VAL  52  -1.011   1.757   5.271
  399   1HG1  VAL  52          1HG1      VAL  52  -2.112   3.143   2.839
  400   2HG1  VAL  52          2HG1      VAL  52  -2.841   1.815   3.741
  401   3HG1  VAL  52          3HG1      VAL  52  -1.367   1.545   2.812
  402   1HG2  VAL  52          1HG2      VAL  52   0.598   2.470   3.313
  403   2HG2  VAL  52          2HG2      VAL  52   1.027   2.767   4.998
  404   3HG2  VAL  52          3HG2      VAL  52   0.371   4.073   4.011
  405    H    LEU  53           H        LEU  53  -0.449   3.045   7.478
  406    HA   LEU  53           HA       LEU  53   0.868   5.643   7.815
  407   1HB   LEU  53          2HB       LEU  53  -0.248   3.694   9.617
  408   2HB   LEU  53          1HB       LEU  53   1.436   3.980  10.004
  409    HG   LEU  53           HG       LEU  53   0.353   5.511  11.352
  410   1HD1  LEU  53          1HD1      LEU  53   1.851   6.520   9.292
  411   2HD1  LEU  53          2HD1      LEU  53   1.320   7.420  10.713
  412   3HD1  LEU  53          3HD1      LEU  53   0.386   7.501   9.218
  413   1HD2  LEU  53          1HD2      LEU  53  -1.471   6.601   9.291
  414   2HD2  LEU  53          2HD2      LEU  53  -1.718   6.372  11.023
  415   3HD2  LEU  53          3HD2      LEU  53  -1.829   4.993   9.926
  416    H    GLU  54           H        GLU  54   2.897   5.738   7.039
  417    HA   GLU  54           HA       GLU  54   4.396   3.224   6.829
  418   1HB   GLU  54          2HB       GLU  54   3.969   4.475   4.744
  419   2HB   GLU  54          1HB       GLU  54   4.904   5.822   5.386
  420   1HG   GLU  54          2HG       GLU  54   6.434   3.426   5.607
  421   2HG   GLU  54          1HG       GLU  54   5.815   3.577   3.960
  422    H    GLU  55           H        GLU  55   6.328   2.924   7.752
  423    HA   GLU  55           HA       GLU  55   7.434   5.127   9.332
  424   1HB   GLU  55          2HB       GLU  55   7.982   2.279  10.029
  425   2HB   GLU  55          1HB       GLU  55   7.929   3.688  11.079
  426   1HG   GLU  55          2HG       GLU  55   5.358   3.493  10.161
  427   2HG   GLU  55          1HG       GLU  55   5.852   1.814  10.349
  428    H    VAL  56           H        VAL  56   9.290   5.848   8.500
  429    HA   VAL  56           HA       VAL  56  10.837   4.157   6.734
  430    HB   VAL  56           HB       VAL  56  11.548   6.975   7.505
  431   1HG1  VAL  56          1HG1      VAL  56  12.163   6.663   4.882
  432   2HG1  VAL  56          2HG1      VAL  56  12.412   5.024   5.486
  433   3HG1  VAL  56          3HG1      VAL  56  13.287   6.373   6.211
  434   1HG2  VAL  56          1HG2      VAL  56  10.194   7.820   5.717
  435   2HG2  VAL  56          2HG2      VAL  56   9.166   6.853   6.776
  436   3HG2  VAL  56          3HG2      VAL  56   9.722   6.190   5.239
  437    H    ASP  57           H        ASP  57  11.400   2.704   8.561
  438    HA   ASP  57           HA       ASP  57  13.139   3.608  10.619
  439   1HB   ASP  57          2HB       ASP  57  11.651   1.470  10.516
  440   2HB   ASP  57          1HB       ASP  57  13.037   0.754   9.698
  Start of MODEL    3
    1   1H    ILE   1          1HT       ILE   1  10.668  -2.842   9.001
    2   2H    ILE   1          2HT       ILE   1  11.334  -2.214  10.452
    3   3H    ILE   1          3HT       ILE   1  11.103  -1.187   9.096
    4    HA   ILE   1           HA       ILE   1   9.050  -2.472  10.760
    5    HB   ILE   1           HB       ILE   1   9.498   0.454  10.198
    6   1HG1  ILE   1          2HG1      ILE   1  10.385  -1.145  12.612
    7   2HG1  ILE   1          1HG1      ILE   1  11.453  -0.459  11.391
    8   1HG2  ILE   1          1HG2      ILE   1   7.251  -0.071  10.858
    9   2HG2  ILE   1          2HG2      ILE   1   8.067   0.720  12.207
   10   3HG2  ILE   1          3HG2      ILE   1   7.829  -1.028  12.221
   11   1HD1  ILE   1          1HD1      ILE   1  11.163   1.683  12.151
   12   2HD1  ILE   1          2HD1      ILE   1  11.067   0.765  13.654
   13   3HD1  ILE   1          3HD1      ILE   1   9.592   1.332  12.871
   14    HA   PRO   2           HA       PRO   2   6.586  -2.192   7.067
   15   1HB   PRO   2          2HB       PRO   2   4.277  -3.097   8.054
   16   2HB   PRO   2          1HB       PRO   2   5.687  -4.154   7.925
   17   1HG   PRO   2          2HG       PRO   2   4.577  -2.760  10.319
   18   2HG   PRO   2          1HG       PRO   2   5.248  -4.393  10.187
   19   1HD   PRO   2          2HD       PRO   2   6.614  -2.166  11.128
   20   2HD   PRO   2          1HD       PRO   2   7.374  -3.653  10.529
   21    H    ALA   3           H        ALA   3   3.951  -1.591   6.910
   22    HA   ALA   3           HA       ALA   3   3.745   1.132   7.964
   23   1HB   ALA   3          1HB       ALA   3   4.013   1.661   5.778
   24   2HB   ALA   3          2HB       ALA   3   2.278   1.344   5.743
   25   3HB   ALA   3          3HB       ALA   3   3.411   0.099   5.215
   26    H    PHE   4           H        PHE   4   1.617   1.918   8.399
   27    HA   PHE   4           HA       PHE   4  -0.300  -0.206   8.982
   28   1HB   PHE   4          2HB       PHE   4   0.685   1.276  10.831
   29   2HB   PHE   4          1HB       PHE   4  -0.350   2.531  10.171
   30    HD1  PHE   4           1HD      PHE   4  -2.848   2.068  10.029
   31    HD2  PHE   4           2HD      PHE   4  -0.163  -0.267  12.362
   32    HE1  PHE   4           1HE      PHE   4  -4.739   1.236  11.366
   33    HE2  PHE   4           2HE      PHE   4  -2.047  -1.105  13.701
   34    HZ   PHE   4           HZ       PHE   4  -4.340  -0.354  13.205
   35    H    VAL   5           H        VAL   5  -2.063  -0.303   7.743
   36    HA   VAL   5           HA       VAL   5  -2.722   1.823   5.920
   37    HB   VAL   5           HB       VAL   5  -4.206  -0.734   6.539
   38   1HG1  VAL   5          1HG1      VAL   5  -4.558   1.314   4.363
   39   2HG1  VAL   5          2HG1      VAL   5  -5.751   0.756   5.535
   40   3HG1  VAL   5          3HG1      VAL   5  -5.202  -0.324   4.253
   41   1HG2  VAL   5          1HG2      VAL   5  -3.144  -1.070   4.072
   42   2HG2  VAL   5          2HG2      VAL   5  -2.397  -1.640   5.564
   43   3HG2  VAL   5          3HG2      VAL   5  -1.886  -0.110   4.851
   44    H    LYS   6           H        LYS   6  -4.715   2.978   5.859
   45    HA   LYS   6           HA       LYS   6  -5.878   3.361   8.522
   46   1HB   LYS   6          2HB       LYS   6  -5.805   5.179   6.119
   47   2HB   LYS   6          1HB       LYS   6  -6.680   5.544   7.600
   48   1HG   LYS   6          2HG       LYS   6  -4.628   5.579   8.860
   49   2HG   LYS   6          1HG       LYS   6  -3.712   5.061   7.443
   50   1HD   LYS   6          2HD       LYS   6  -3.396   7.403   7.629
   51   2HD   LYS   6          1HD       LYS   6  -4.530   7.157   6.299
   52   1HE   LYS   6          2HE       LYS   6  -6.238   7.383   8.386
   53   2HE   LYS   6          1HE       LYS   6  -4.928   8.435   8.921
   54   1HZ   LYS   6          1HZ       LYS   6  -6.801   8.774   6.728
   55   2HZ   LYS   6          2HZ       LYS   6  -5.207   9.237   6.402
   56   3HZ   LYS   6          3HZ       LYS   6  -6.042   9.937   7.695
   57    H    PHE   7           H        PHE   7  -6.813   3.080   5.131
   58    HA   PHE   7           HA       PHE   7  -9.367   1.983   5.990
   59   1HB   PHE   7          2HB       PHE   7  -9.096   4.578   4.970
   60   2HB   PHE   7          1HB       PHE   7  -9.765   3.613   3.657
   61    HD1  PHE   7           1HD      PHE   7 -10.281   4.558   7.200
   62    HD2  PHE   7           2HD      PHE   7 -12.019   3.003   3.640
   63    HE1  PHE   7           1HE      PHE   7 -12.512   4.714   8.226
   64    HE2  PHE   7           2HE      PHE   7 -14.254   3.157   4.659
   65    HZ   PHE   7           HZ       PHE   7 -14.502   4.015   6.954
   66    H    ALA   8           H        ALA   8 -10.405   0.622   4.487
   67    HA   ALA   8           HA       ALA   8  -8.575  -0.628   2.614
   68   1HB   ALA   8          1HB       ALA   8  -9.544  -2.453   3.421
   69   2HB   ALA   8          2HB       ALA   8 -11.003  -2.000   2.544
   70   3HB   ALA   8          3HB       ALA   8 -10.794  -1.505   4.224
   71    H    TYR   9           H        TYR   9  -8.873  -0.713   0.420
   72    HA   TYR   9           HA       TYR   9 -11.279   0.569  -0.674
   73   1HB   TYR   9          2HB       TYR   9  -9.125   2.057  -0.560
   74   2HB   TYR   9          1HB       TYR   9  -8.618   1.097  -1.949
   75    HD1  TYR   9           1HD      TYR   9  -9.063   1.985  -4.021
   76    HD2  TYR   9           2HD      TYR   9 -11.673   2.933  -0.798
   77    HE1  TYR   9           1HE      TYR   9 -10.364   3.444  -5.511
   78    HE2  TYR   9           2HE      TYR   9 -12.983   4.393  -2.279
   79    HH   TYR   9           HH       TYR   9 -12.571   4.409  -5.679
   80    H    VAL  10           H        VAL  10 -11.917  -0.148  -2.723
   81    HA   VAL  10           HA       VAL  10 -10.936  -2.784  -3.413
   82    HB   VAL  10           HB       VAL  10 -12.819  -2.737  -5.095
   83   1HG1  VAL  10          1HG1      VAL  10 -14.005  -2.158  -2.430
   84   2HG1  VAL  10          2HG1      VAL  10 -12.860  -3.491  -2.565
   85   3HG1  VAL  10          3HG1      VAL  10 -14.324  -3.485  -3.546
   86   1HG2  VAL  10          1HG2      VAL  10 -12.895  -0.226  -5.197
   87   2HG2  VAL  10          2HG2      VAL  10 -13.689  -0.257  -3.622
   88   3HG2  VAL  10          3HG2      VAL  10 -14.460  -1.017  -5.014
   89    H    ALA  11           H        ALA  11  -9.573  -3.174  -5.072
   90    HA   ALA  11           HA       ALA  11  -9.073  -0.940  -6.920
   91   1HB   ALA  11          1HB       ALA  11  -6.774  -1.429  -6.928
   92   2HB   ALA  11          2HB       ALA  11  -7.023  -2.980  -6.129
   93   3HB   ALA  11          3HB       ALA  11  -7.276  -1.479  -5.239
   94    H    GLU  12           H        GLU  12  -7.427  -2.020  -8.666
   95    HA   GLU  12           HA       GLU  12  -9.144  -3.577 -10.358
   96   1HB   GLU  12          2HB       GLU  12  -6.395  -2.413 -10.812
   97   2HB   GLU  12          1HB       GLU  12  -7.328  -3.257 -12.038
   98   1HG   GLU  12          2HG       GLU  12  -9.115  -1.557 -11.769
   99   2HG   GLU  12          1HG       GLU  12  -8.054  -0.680 -10.667
  100    H    ARG  13           H        ARG  13  -7.898  -5.233 -11.788
  101    HA   ARG  13           HA       ARG  13  -7.134  -7.364 -10.022
  102   1HB   ARG  13          2HB       ARG  13  -7.461  -8.817 -11.838
  103   2HB   ARG  13          1HB       ARG  13  -8.667  -7.561 -12.050
  104   1HG   ARG  13          2HG       ARG  13  -6.114  -7.931 -13.586
  105   2HG   ARG  13          1HG       ARG  13  -7.766  -8.024 -14.185
  106   1HD   ARG  13          2HD       ARG  13  -8.055  -5.632 -13.714
  107   2HD   ARG  13          1HD       ARG  13  -6.386  -5.550 -13.153
  108    HE   ARG  13           HE       ARG  13  -6.544  -6.594 -15.793
  109   1HH1  ARG  13          1HH1      ARG  13  -6.683  -3.622 -13.969
  110   2HH1  ARG  13          2HH1      ARG  13  -6.152  -2.640 -15.291
  111   1HH2  ARG  13          1HH2      ARG  13  -5.847  -5.302 -17.535
  112   2HH2  ARG  13          2HH2      ARG  13  -5.678  -3.592 -17.316
  113    H    GLU  14           H        GLU  14  -5.414  -8.733 -11.971
  114    HA   GLU  14           HA       GLU  14  -2.961  -8.104 -10.949
  115   1HB   GLU  14          2HB       GLU  14  -3.499  -9.224 -13.706
  116   2HB   GLU  14          1HB       GLU  14  -1.983  -9.349 -12.823
  117   1HG   GLU  14          2HG       GLU  14  -4.536 -10.428 -11.691
  118   2HG   GLU  14          1HG       GLU  14  -3.563 -11.363 -12.829
  119    H    ASP  15           H        ASP  15  -2.186  -6.218 -10.887
  120    HA   ASP  15           HA       ASP  15  -0.685  -4.876 -12.604
  121   1HB   ASP  15          2HB       ASP  15  -2.428  -4.605 -14.261
  122   2HB   ASP  15          1HB       ASP  15  -3.556  -4.007 -13.042
  123    H    GLU  16           H        GLU  16  -3.564  -4.119 -10.743
  124    HA   GLU  16           HA       GLU  16  -1.922  -2.649  -8.808
  125   1HB   GLU  16          2HB       GLU  16  -3.096  -0.742  -9.009
  126   2HB   GLU  16          1HB       GLU  16  -3.708  -1.404 -10.509
  127   1HG   GLU  16          2HG       GLU  16  -5.564  -2.428  -9.122
  128   2HG   GLU  16          1HG       GLU  16  -5.009  -1.361  -7.839
  129    H    LEU  17           H        LEU  17  -2.686  -2.772  -6.621
  130    HA   LEU  17           HA       LEU  17  -4.619  -4.958  -6.253
  131   1HB   LEU  17          2HB       LEU  17  -2.960  -4.927  -3.989
  132   2HB   LEU  17          1HB       LEU  17  -3.072  -6.143  -5.247
  133    HG   LEU  17           HG       LEU  17  -0.767  -5.507  -4.888
  134   1HD1  LEU  17          1HD1      LEU  17  -1.035  -4.196  -7.456
  135   2HD1  LEU  17          2HD1      LEU  17  -2.045  -5.636  -7.327
  136   3HD1  LEU  17          3HD1      LEU  17  -0.308  -5.747  -7.045
  137   1HD2  LEU  17          1HD2      LEU  17  -0.103  -3.427  -4.501
  138   2HD2  LEU  17          2HD2      LEU  17  -1.795  -2.934  -4.549
  139   3HD2  LEU  17          3HD2      LEU  17  -0.813  -2.860  -6.011
  140    H    SER  18           H        SER  18  -5.906  -5.008  -4.456
  141    HA   SER  18           HA       SER  18  -6.939  -2.510  -3.604
  142   1HB   SER  18          2HB       SER  18  -8.707  -3.703  -2.733
  143   2HB   SER  18          1HB       SER  18  -8.102  -4.854  -3.928
  144    HG   SER  18           HG       SER  18  -8.016  -4.953  -1.154
  145    H    LEU  19           H        LEU  19  -7.075  -1.656  -1.500
  146    HA   LEU  19           HA       LEU  19  -4.715  -2.242   0.113
  147   1HB   LEU  19          2HB       LEU  19  -6.041  -0.123   1.326
  148   2HB   LEU  19          1HB       LEU  19  -4.654  -0.025   0.261
  149    HG   LEU  19           HG       LEU  19  -7.504   0.096  -0.709
  150   1HD1  LEU  19          1HD1      LEU  19  -6.955   2.552  -1.009
  151   2HD1  LEU  19          2HD1      LEU  19  -5.603   2.280   0.091
  152   3HD1  LEU  19          3HD1      LEU  19  -7.256   2.008   0.641
  153   1HD2  LEU  19          1HD2      LEU  19  -5.519   1.373  -2.347
  154   2HD2  LEU  19          2HD2      LEU  19  -6.649   0.086  -2.759
  155   3HD2  LEU  19          3HD2      LEU  19  -5.082  -0.309  -2.053
  156    H    VAL  20           H        VAL  20  -4.785  -2.579   2.351
  157    HA   VAL  20           HA       VAL  20  -6.844  -4.313   3.237
  158    HB   VAL  20           HB       VAL  20  -4.870  -3.008   5.081
  159   1HG1  VAL  20          1HG1      VAL  20  -6.610  -5.375   5.100
  160   2HG1  VAL  20          2HG1      VAL  20  -6.023  -4.383   6.435
  161   3HG1  VAL  20          3HG1      VAL  20  -4.985  -5.627   5.736
  162   1HG2  VAL  20          1HG2      VAL  20  -3.369  -4.986   4.471
  163   2HG2  VAL  20          2HG2      VAL  20  -3.439  -3.641   3.334
  164   3HG2  VAL  20          3HG2      VAL  20  -4.346  -5.118   3.008
  165    H    LYS  21           H        LYS  21  -8.067  -4.082   5.243
  166    HA   LYS  21           HA       LYS  21  -9.239  -1.411   5.439
  167   1HB   LYS  21          2HB       LYS  21 -10.443  -3.574   7.033
  168   2HB   LYS  21          1HB       LYS  21 -11.205  -2.395   5.980
  169   1HG   LYS  21          2HG       LYS  21 -11.597  -4.070   4.584
  170   2HG   LYS  21          1HG       LYS  21  -9.871  -4.077   4.230
  171   1HD   LYS  21          2HD       LYS  21 -10.187  -5.502   6.634
  172   2HD   LYS  21          1HD       LYS  21 -11.463  -6.065   5.552
  173   1HE   LYS  21          2HE       LYS  21  -8.728  -5.781   4.434
  174   2HE   LYS  21          1HE       LYS  21  -9.023  -7.119   5.543
  175   1HZ   LYS  21          1HZ       LYS  21 -10.292  -8.184   4.052
  176   2HZ   LYS  21          2HZ       LYS  21  -9.491  -7.221   2.915
  177   3HZ   LYS  21          3HZ       LYS  21 -11.022  -6.770   3.476
  178    H    GLY  22           H        GLY  22  -7.697  -3.878   7.447
  179   1HA   GLY  22          2HA       GLY  22  -6.915  -1.851   9.336
  180   2HA   GLY  22          1HA       GLY  22  -8.063  -3.009   9.970
  181    H    SER  23           H        SER  23  -5.080  -3.014   8.083
  182    HA   SER  23           HA       SER  23  -3.845  -4.800   9.988
  183   1HB   SER  23          2HB       SER  23  -5.032  -5.855   7.682
  184   2HB   SER  23          1HB       SER  23  -3.298  -5.828   7.353
  185    HG   SER  23           HG       SER  23  -3.136  -7.484   8.613
  186    H    ARG  24           H        ARG  24  -1.505  -5.334   9.119
  187    HA   ARG  24           HA       ARG  24  -0.365  -2.751   8.392
  188   1HB   ARG  24          2HB       ARG  24   0.620  -5.127   9.850
  189   2HB   ARG  24          1HB       ARG  24   1.797  -4.089   9.070
  190   1HG   ARG  24          2HG       ARG  24  -0.154  -2.600  10.620
  191   2HG   ARG  24          1HG       ARG  24   0.739  -3.773  11.596
  192   1HD   ARG  24          2HD       ARG  24   2.834  -2.836  10.899
  193   2HD   ARG  24          1HD       ARG  24   2.027  -1.778   9.748
  194    HE   ARG  24           HE       ARG  24   1.623  -0.317  11.450
  195   1HH1  ARG  24          1HH1      ARG  24   2.336  -3.443  12.826
  196   2HH1  ARG  24          2HH1      ARG  24   2.347  -2.861  14.457
  197   1HH2  ARG  24          1HH2      ARG  24   1.639   0.451  13.595
  198   2HH2  ARG  24          2HH2      ARG  24   1.952  -0.650  14.895
  199    H    VAL  25           H        VAL  25   1.167  -2.496   6.792
  200    HA   VAL  25           HA       VAL  25   1.401  -4.679   4.826
  201    HB   VAL  25           HB       VAL  25   1.182  -1.750   4.117
  202   1HG1  VAL  25          1HG1      VAL  25   0.554  -2.902   1.869
  203   2HG1  VAL  25          2HG1      VAL  25   1.394  -4.291   2.561
  204   3HG1  VAL  25          3HG1      VAL  25   2.249  -2.763   2.339
  205   1HG2  VAL  25          1HG2      VAL  25  -0.896  -2.817   5.176
  206   2HG2  VAL  25          2HG2      VAL  25  -0.997  -3.768   3.694
  207   3HG2  VAL  25          3HG2      VAL  25  -1.087  -2.008   3.619
  208    H    THR  26           H        THR  26   3.302  -4.296   3.292
  209    HA   THR  26           HA       THR  26   5.615  -3.682   4.893
  210    HB   THR  26           HB       THR  26   6.906  -4.631   3.174
  211    HG1  THR  26           1HG      THR  26   4.847  -3.699   1.598
  212   1HG2  THR  26          1HG2      THR  26   4.346  -6.103   2.698
  213   2HG2  THR  26          2HG2      THR  26   5.200  -6.217   4.237
  214   3HG2  THR  26          3HG2      THR  26   5.996  -6.725   2.748
  215    H    VAL  27           H        VAL  27   6.993  -1.959   4.688
  216    HA   VAL  27           HA       VAL  27   5.982   0.484   3.898
  217    HB   VAL  27           HB       VAL  27   7.887   0.288   5.406
  218   1HG1  VAL  27          1HG1      VAL  27   9.856  -0.104   3.248
  219   2HG1  VAL  27          2HG1      VAL  27   8.900  -1.519   3.689
  220   3HG1  VAL  27          3HG1      VAL  27   9.860  -0.687   4.912
  221   1HG2  VAL  27          1HG2      VAL  27   8.434   2.381   4.890
  222   2HG2  VAL  27          2HG2      VAL  27   7.600   2.180   3.349
  223   3HG2  VAL  27          3HG2      VAL  27   9.327   1.843   3.468
  224    H    MET  28           H        MET  28   5.729   1.498   2.074
  225    HA   MET  28           HA       MET  28   6.142   0.291  -0.424
  226   1HB   MET  28          2HB       MET  28   5.708   3.240   0.009
  227   2HB   MET  28          1HB       MET  28   5.226   2.264  -1.375
  228   1HG   MET  28          2HG       MET  28   4.108   1.849   1.380
  229   2HG   MET  28          1HG       MET  28   3.394   2.954   0.212
  230   1HE   MET  28          1HE       MET  28   3.948   1.406  -2.495
  231   2HE   MET  28          2HE       MET  28   2.368   2.117  -2.166
  232   3HE   MET  28          3HE       MET  28   2.489   0.440  -2.699
  233    H    GLU  29           H        GLU  29   7.072   1.936  -2.207
  234    HA   GLU  29           HA       GLU  29   9.916   2.237  -1.536
  235   1HB   GLU  29          2HB       GLU  29  10.424   1.597  -3.687
  236   2HB   GLU  29          1HB       GLU  29   8.915   0.736  -3.476
  237   1HG   GLU  29          2HG       GLU  29   8.293   1.668  -5.389
  238   2HG   GLU  29          1HG       GLU  29   8.072   3.146  -4.461
  239    H    LYS  30           H        LYS  30  11.069   4.063  -2.550
  240    HA   LYS  30           HA       LYS  30   9.476   6.471  -2.386
  241   1HB   LYS  30          2HB       LYS  30  12.309   5.791  -2.133
  242   2HB   LYS  30          1HB       LYS  30  12.038   7.261  -3.059
  243   1HG   LYS  30          2HG       LYS  30  11.238   8.412  -1.272
  244   2HG   LYS  30          1HG       LYS  30  10.567   6.970  -0.504
  245   1HD   LYS  30          2HD       LYS  30  12.691   6.296   0.295
  246   2HD   LYS  30          1HD       LYS  30  13.528   7.464  -0.731
  247   1HE   LYS  30          2HE       LYS  30  11.877   7.974   1.727
  248   2HE   LYS  30          1HE       LYS  30  13.566   8.389   1.434
  249   1HZ   LYS  30          1HZ       LYS  30  12.467  10.388   1.163
  250   2HZ   LYS  30          2HZ       LYS  30  11.136   9.691   0.387
  251   3HZ   LYS  30          3HZ       LYS  30  12.608   9.845  -0.433
  252    H    CYS  31           H        CYS  31   8.255   6.609  -4.208
  253    HA   CYS  31           HA       CYS  31   9.632   6.462  -6.795
  254   1HB   CYS  31          2HB       CYS  31   7.342   5.213  -6.000
  255   2HB   CYS  31          1HB       CYS  31   6.692   6.645  -6.790
  256    HG   CYS  31           HG       CYS  31   8.134   5.848  -8.935
  257    H    SER  32           H        SER  32   9.049   8.014  -8.449
  258    HA   SER  32           HA       SER  32   8.834  10.690  -7.354
  259   1HB   SER  32          2HB       SER  32  10.514  10.442  -9.027
  260   2HB   SER  32          1HB       SER  32   9.399   9.627 -10.124
  261    HG   SER  32           HG       SER  32   9.478  12.354  -9.393
  262    H    ASP  33           H        ASP  33   6.885   8.404  -9.097
  263    HA   ASP  33           HA       ASP  33   4.839  10.423  -9.641
  264   1HB   ASP  33          2HB       ASP  33   5.209   7.570 -10.550
  265   2HB   ASP  33          1HB       ASP  33   3.708   8.455 -10.821
  266    H    GLY  34           H        GLY  34   2.548   9.792  -9.191
  267   1HA   GLY  34          2HA       GLY  34   2.158   9.348  -6.456
  268   2HA   GLY  34          1HA       GLY  34   0.899   9.264  -7.684
  269    H    TRP  35           H        TRP  35   2.613   7.072  -9.001
  270    HA   TRP  35           HA       TRP  35   1.295   4.889  -7.662
  271   1HB   TRP  35          2HB       TRP  35   3.304   4.555  -9.872
  272   2HB   TRP  35          1HB       TRP  35   1.895   3.567  -9.504
  273    HD1  TRP  35           HD       TRP  35  -0.371   5.738  -9.504
  274    HE1  TRP  35           1HE      TRP  35  -1.045   6.912 -11.693
  275    HE3  TRP  35           3HE      TRP  35   3.894   4.931 -12.203
  276    HZ2  TRP  35           2HZ      TRP  35   0.084   7.429 -14.228
  277    HZ3  TRP  35           3HZ      TRP  35   4.018   5.798 -14.503
  278    HH2  TRP  35           HH       TRP  35   2.150   7.021 -15.494
  279    H    TRP  36           H        TRP  36   2.263   4.681  -5.647
  280    HA   TRP  36           HA       TRP  36   5.129   4.307  -5.487
  281   1HB   TRP  36          2HB       TRP  36   2.933   4.607  -3.470
  282   2HB   TRP  36          1HB       TRP  36   4.496   3.953  -2.985
  283    HD1  TRP  36           HD       TRP  36   6.642   5.679  -3.907
  284    HE1  TRP  36           1HE      TRP  36   6.776   8.223  -3.534
  285    HE3  TRP  36           3HE      TRP  36   1.691   6.635  -3.073
  286    HZ2  TRP  36           2HZ      TRP  36   5.011  10.353  -2.965
  287    HZ3  TRP  36           3HZ      TRP  36   0.996   8.951  -2.622
  288    HH2  TRP  36           HH       TRP  36   2.623  10.771  -2.568
  289    H    ARG  37           H        ARG  37   6.125   2.401  -5.397
  290    HA   ARG  37           HA       ARG  37   4.562  -0.018  -5.577
  291   1HB   ARG  37          2HB       ARG  37   6.910   0.663  -6.690
  292   2HB   ARG  37          1HB       ARG  37   7.506  -0.170  -5.261
  293   1HG   ARG  37          2HG       ARG  37   7.237  -2.090  -6.320
  294   2HG   ARG  37          1HG       ARG  37   5.496  -1.810  -6.310
  295   1HD   ARG  37          2HD       ARG  37   5.460  -1.427  -8.504
  296   2HD   ARG  37          1HD       ARG  37   6.807  -0.293  -8.399
  297    HE   ARG  37           HE       ARG  37   8.133  -1.937  -9.236
  298   1HH1  ARG  37          1HH1      ARG  37   5.434  -3.452  -7.625
  299   2HH1  ARG  37          2HH1      ARG  37   5.925  -5.059  -8.044
  300   1HH2  ARG  37          1HH2      ARG  37   8.779  -4.048  -9.789
  301   2HH2  ARG  37          2HH2      ARG  37   7.823  -5.398  -9.274
  302    H    GLY  38           H        GLY  38   4.686  -1.780  -4.149
  303   1HA   GLY  38          2HA       GLY  38   6.111  -1.643  -1.673
  304   2HA   GLY  38          1HA       GLY  38   4.414  -1.237  -1.468
  305    H    SER  39           H        SER  39   5.124  -3.302  -0.059
  306    HA   SER  39           HA       SER  39   4.141  -5.616  -1.578
  307   1HB   SER  39          2HB       SER  39   5.772  -6.300   0.755
  308   2HB   SER  39          1HB       SER  39   5.821  -6.947  -0.888
  309    HG   SER  39           HG       SER  39   7.062  -5.169  -1.502
  310    H    TYR  40           H        TYR  40   2.980  -7.202  -0.393
  311    HA   TYR  40           HA       TYR  40   1.966  -6.467   2.225
  312   1HB   TYR  40          2HB       TYR  40   0.249  -5.349   1.204
  313   2HB   TYR  40          1HB       TYR  40   0.404  -6.265  -0.293
  314    HD1  TYR  40           1HD      TYR  40  -1.295  -5.995   2.896
  315    HD2  TYR  40           2HD      TYR  40  -0.647  -8.513  -0.471
  316    HE1  TYR  40           1HE      TYR  40  -3.264  -7.329   3.522
  317    HE2  TYR  40           2HE      TYR  40  -2.615  -9.853   0.145
  318    HH   TYR  40           HH       TYR  40  -3.977 -10.350   2.067
  319    H    ASN  41           H        ASN  41   1.126  -8.224   3.368
  320    HA   ASN  41           HA       ASN  41   2.151 -10.744   2.739
  321   1HB   ASN  41          2HB       ASN  41  -0.209 -10.331   4.529
  322   2HB   ASN  41          1HB       ASN  41   1.043 -11.559   4.653
  323   1HD2  ASN  41          1HD2      ASN  41   0.161  -8.282   5.310
  324   2HD2  ASN  41          2HD2      ASN  41   1.528  -7.888   6.290
  325    H    GLY  42           H        GLY  42   1.528 -11.212   0.610
  326   1HA   GLY  42          2HA       GLY  42  -0.335 -13.030   0.087
  327   2HA   GLY  42          1HA       GLY  42  -1.283 -11.554   0.009
  328    H    GLN  43           H        GLN  43   0.691  -9.891  -1.105
  329    HA   GLN  43           HA       GLN  43   1.811 -10.980  -3.465
  330   1HB   GLN  43          2HB       GLN  43   0.342  -9.956  -5.126
  331   2HB   GLN  43          1HB       GLN  43  -0.546 -11.112  -4.137
  332   1HG   GLN  43          2HG       GLN  43  -0.854  -8.694  -2.814
  333   2HG   GLN  43          1HG       GLN  43  -0.985  -8.283  -4.527
  334   1HE2  GLN  43          1HE2      GLN  43  -2.627  -9.321  -1.848
  335   2HE2  GLN  43          2HE2      GLN  43  -4.038  -9.967  -2.620
  336    H    ILE  44           H        ILE  44   2.279  -9.059  -5.088
  337    HA   ILE  44           HA       ILE  44   3.035  -6.695  -3.502
  338    HB   ILE  44           HB       ILE  44   4.694  -8.401  -5.294
  339   1HG1  ILE  44          2HG1      ILE  44   6.429  -7.513  -3.596
  340   2HG1  ILE  44          1HG1      ILE  44   5.027  -6.894  -2.720
  341   1HG2  ILE  44          1HG2      ILE  44   4.756  -6.325  -6.526
  342   2HG2  ILE  44          2HG2      ILE  44   6.288  -6.548  -5.681
  343   3HG2  ILE  44          3HG2      ILE  44   5.088  -5.420  -5.049
  344   1HD1  ILE  44          1HD1      ILE  44   4.234  -9.024  -2.250
  345   2HD1  ILE  44          2HD1      ILE  44   5.980  -9.180  -2.063
  346   3HD1  ILE  44          3HD1      ILE  44   5.194  -9.769  -3.527
  347    H    GLY  45           H        GLY  45   3.273  -4.707  -4.727
  348   1HA   GLY  45          2HA       GLY  45   2.805  -4.240  -7.371
  349   2HA   GLY  45          1HA       GLY  45   1.190  -4.449  -6.706
  350    H    TRP  46           H        TRP  46   0.682  -2.301  -7.264
  351    HA   TRP  46           HA       TRP  46   2.108  -0.183  -5.831
  352   1HB   TRP  46          2HB       TRP  46   0.216  -0.218  -8.168
  353   2HB   TRP  46          1HB       TRP  46   0.508   1.273  -7.272
  354    HD1  TRP  46           HD       TRP  46   3.183   2.065  -7.199
  355    HE1  TRP  46           1HE      TRP  46   4.949   1.915  -9.066
  356    HE3  TRP  46           3HE      TRP  46   0.964  -1.494 -10.118
  357    HZ2  TRP  46           2HZ      TRP  46   5.345   0.473 -11.461
  358    HZ3  TRP  46           3HZ      TRP  46   2.102  -2.204 -12.181
  359    HH2  TRP  46           HH       TRP  46   4.247  -1.239 -12.838
  360    H    PHE  47           H        PHE  47   1.260   0.828  -4.113
  361    HA   PHE  47           HA       PHE  47  -1.593   0.403  -3.523
  362   1HB   PHE  47          2HB       PHE  47   0.663   0.511  -1.511
  363   2HB   PHE  47          1HB       PHE  47  -1.048   0.324  -1.133
  364    HD1  PHE  47           1HD      PHE  47   1.999  -1.343  -1.956
  365    HD2  PHE  47           2HD      PHE  47  -2.237  -1.749  -1.989
  366    HE1  PHE  47           1HE      PHE  47   2.239  -3.786  -2.114
  367    HE2  PHE  47           2HE      PHE  47  -2.006  -4.194  -2.147
  368    HZ   PHE  47           HZ       PHE  47   0.236  -5.216  -2.209
  369    HA   PRO  48           HA       PRO  48  -1.650   4.853  -3.455
  370   1HB   PRO  48          2HB       PRO  48  -4.247   4.686  -2.163
  371   2HB   PRO  48          1HB       PRO  48  -3.844   5.262  -3.778
  372   1HG   PRO  48          2HG       PRO  48  -5.199   2.960  -3.349
  373   2HG   PRO  48          1HG       PRO  48  -4.110   3.191  -4.729
  374   1HD   PRO  48          2HD       PRO  48  -3.621   1.742  -2.152
  375   2HD   PRO  48          1HD       PRO  48  -3.157   1.292  -3.807
  376    H    SER  49           H        SER  49  -0.242   5.615  -1.972
  377    HA   SER  49           HA       SER  49  -0.305   5.134   0.781
  378   1HB   SER  49          2HB       SER  49   1.737   5.927   0.085
  379   2HB   SER  49          1HB       SER  49   1.010   7.146  -0.959
  380    HG   SER  49           HG       SER  49   1.610   7.251   1.745
  381    H    ASN  50           H        ASN  50  -2.474   6.894  -1.064
  382    HA   ASN  50           HA       ASN  50  -3.118   9.176   0.197
  383   1HB   ASN  50          2HB       ASN  50  -4.639   7.110  -1.228
  384   2HB   ASN  50          1HB       ASN  50  -5.596   8.211  -0.247
  385   1HD2  ASN  50          1HD2      ASN  50  -5.694  10.365  -0.783
  386   2HD2  ASN  50          2HD2      ASN  50  -5.167  10.959  -2.315
  387    H    TYR  51           H        TYR  51  -3.522   5.944   1.478
  388    HA   TYR  51           HA       TYR  51  -4.188   7.146   4.041
  389   1HB   TYR  51          2HB       TYR  51  -5.873   4.799   3.315
  390   2HB   TYR  51          1HB       TYR  51  -6.228   6.149   4.392
  391    HD1  TYR  51           1HD      TYR  51  -6.122   5.072   0.863
  392    HD2  TYR  51           2HD      TYR  51  -7.335   8.108   3.585
  393    HE1  TYR  51           1HE      TYR  51  -7.470   6.115  -0.910
  394    HE2  TYR  51           2HE      TYR  51  -8.687   9.159   1.820
  395    HH   TYR  51           HH       TYR  51  -8.400   8.333  -1.451
  396    H    VAL  52           H        VAL  52  -1.866   6.317   3.838
  397    HA   VAL  52           HA       VAL  52  -1.773   3.730   5.167
  398    HB   VAL  52           HB       VAL  52  -0.142   2.798   3.829
  399   1HG1  VAL  52          1HG1      VAL  52  -0.832   3.119   1.476
  400   2HG1  VAL  52          2HG1      VAL  52  -1.777   4.523   1.975
  401   3HG1  VAL  52          3HG1      VAL  52  -2.198   2.919   2.575
  402   1HG2  VAL  52          1HG2      VAL  52   1.214   4.107   2.181
  403   2HG2  VAL  52          2HG2      VAL  52   1.498   4.550   3.865
  404   3HG2  VAL  52          3HG2      VAL  52   0.497   5.578   2.838
  405    H    LEU  53           H        LEU  53   0.053   3.437   6.560
  406    HA   LEU  53           HA       LEU  53   1.395   5.960   7.256
  407   1HB   LEU  53          2HB       LEU  53  -0.243   4.930   8.925
  408   2HB   LEU  53          1HB       LEU  53   0.956   3.674   9.129
  409    HG   LEU  53           HG       LEU  53   2.493   5.154  10.092
  410   1HD1  LEU  53          1HD1      LEU  53   2.398   7.026   8.651
  411   2HD1  LEU  53          2HD1      LEU  53   1.995   7.612  10.265
  412   3HD1  LEU  53          3HD1      LEU  53   0.717   7.350   9.078
  413   1HD2  LEU  53          1HD2      LEU  53   0.260   4.554  11.340
  414   2HD2  LEU  53          2HD2      LEU  53   0.020   6.300  11.265
  415   3HD2  LEU  53          3HD2      LEU  53   1.447   5.640  12.063
  416    H    GLU  54           H        GLU  54   3.472   5.944   6.702
  417    HA   GLU  54           HA       GLU  54   4.862   3.366   6.556
  418   1HB   GLU  54          2HB       GLU  54   4.789   4.597   4.466
  419   2HB   GLU  54          1HB       GLU  54   5.504   6.004   5.241
  420   1HG   GLU  54          2HG       GLU  54   7.172   3.717   5.659
  421   2HG   GLU  54          1HG       GLU  54   6.809   3.895   3.940
  422    H    GLU  55           H        GLU  55   6.660   2.948   7.684
  423    HA   GLU  55           HA       GLU  55   7.647   5.029   9.491
  424   1HB   GLU  55          2HB       GLU  55   7.996   2.088   9.958
  425   2HB   GLU  55          1HB       GLU  55   8.072   3.396  11.129
  426   1HG   GLU  55          2HG       GLU  55   5.522   3.577  10.167
  427   2HG   GLU  55          1HG       GLU  55   5.818   1.843  10.191
  428    H    VAL  56           H        VAL  56   9.594   5.778   8.928
  429    HA   VAL  56           HA       VAL  56  11.236   4.354   7.057
  430    HB   VAL  56           HB       VAL  56  12.194   6.784   8.521
  431   1HG1  VAL  56          1HG1      VAL  56  12.458   6.523   5.604
  432   2HG1  VAL  56          2HG1      VAL  56  13.291   5.287   6.547
  433   3HG1  VAL  56          3HG1      VAL  56  13.650   6.992   6.818
  434   1HG2  VAL  56          1HG2      VAL  56  10.988   7.906   6.391
  435   2HG2  VAL  56          2HG2      VAL  56  10.243   7.793   7.986
  436   3HG2  VAL  56          3HG2      VAL  56   9.845   6.608   6.743
  437    H    ASP  57           H        ASP  57  11.756   2.462   8.238
  438    HA   ASP  57           HA       ASP  57  13.037   2.469  10.749
  439   1HB   ASP  57          2HB       ASP  57  11.920   0.489   9.745
  440   2HB   ASP  57          1HB       ASP  57  13.226   0.380   8.569
  Start of MODEL    4
    1   1H    ILE   1          1HT       ILE   1  11.163  -1.905  10.475
    2   2H    ILE   1          2HT       ILE   1  10.775  -1.980   8.805
    3   3H    ILE   1          3HT       ILE   1  10.112  -3.128   9.894
    4    HA   ILE   1           HA       ILE   1   8.833  -1.511  10.957
    5    HB   ILE   1           HB       ILE   1   8.874   0.822   9.636
    6   1HG1  ILE   1          2HG1      ILE   1  11.328   1.461   9.443
    7   2HG1  ILE   1          1HG1      ILE   1  11.687  -0.261   9.487
    8   1HG2  ILE   1          1HG2      ILE   1  10.700   1.399  11.527
    9   2HG2  ILE   1          2HG2      ILE   1  10.150  -0.178  12.095
   10   3HG2  ILE   1          3HG2      ILE   1   8.990   1.130  11.864
   11   1HD1  ILE   1          1HD1      ILE   1  10.861  -0.624   7.397
   12   2HD1  ILE   1          2HD1      ILE   1  11.421   1.038   7.220
   13   3HD1  ILE   1          3HD1      ILE   1   9.710   0.707   7.499
   14    HA   PRO   2           HA       PRO   2   6.299  -2.439   7.361
   15   1HB   PRO   2          2HB       PRO   2   4.114  -3.217   8.688
   16   2HB   PRO   2          1HB       PRO   2   5.565  -4.225   8.642
   17   1HG   PRO   2          2HG       PRO   2   4.496  -2.549  10.846
   18   2HG   PRO   2          1HG       PRO   2   5.419  -4.057  10.925
   19   1HD   PRO   2          2HD       PRO   2   6.414  -1.425  11.239
   20   2HD   PRO   2          1HD       PRO   2   7.366  -2.917  11.110
   21    H    ALA   3           H        ALA   3   3.814  -1.881   6.961
   22    HA   ALA   3           HA       ALA   3   3.495   0.949   7.632
   23   1HB   ALA   3          1HB       ALA   3   1.922   0.772   5.512
   24   2HB   ALA   3          2HB       ALA   3   2.993  -0.580   5.144
   25   3HB   ALA   3          3HB       ALA   3   3.658   1.037   5.364
   26    H    PHE   4           H        PHE   4   1.361   1.750   8.017
   27    HA   PHE   4           HA       PHE   4  -0.426  -0.280   9.101
   28   1HB   PHE   4          2HB       PHE   4  -0.555   2.624   9.758
   29   2HB   PHE   4          1HB       PHE   4  -1.149   1.265  10.692
   30    HD1  PHE   4           1HD      PHE   4   1.536  -0.328  10.272
   31    HD2  PHE   4           2HD      PHE   4   0.588   3.579  11.663
   32    HE1  PHE   4           1HE      PHE   4   3.600  -0.308  11.607
   33    HE2  PHE   4           2HE      PHE   4   2.654   3.607  12.998
   34    HZ   PHE   4           HZ       PHE   4   4.163   1.662  12.972
   35    H    VAL   5           H        VAL   5  -2.162  -0.713   7.897
   36    HA   VAL   5           HA       VAL   5  -3.055   1.140   5.869
   37    HB   VAL   5           HB       VAL   5  -4.274  -1.501   6.673
   38   1HG1  VAL   5          1HG1      VAL   5  -4.581   0.135   4.157
   39   2HG1  VAL   5          2HG1      VAL   5  -5.794  -0.056   5.423
   40   3HG1  VAL   5          3HG1      VAL   5  -5.302  -1.447   4.457
   41   1HG2  VAL   5          1HG2      VAL   5  -1.774  -1.226   5.707
   42   2HG2  VAL   5          2HG2      VAL   5  -2.686  -1.295   4.199
   43   3HG2  VAL   5          3HG2      VAL   5  -2.810  -2.613   5.364
   44    H    LYS   6           H        LYS   6  -4.970   2.265   5.828
   45    HA   LYS   6           HA       LYS   6  -6.235   2.648   8.421
   46   1HB   LYS   6          2HB       LYS   6  -6.545   4.210   5.856
   47   2HB   LYS   6          1HB       LYS   6  -7.239   4.650   7.410
   48   1HG   LYS   6          2HG       LYS   6  -5.216   5.291   8.283
   49   2HG   LYS   6          1HG       LYS   6  -4.295   4.249   7.196
   50   1HD   LYS   6          2HD       LYS   6  -3.933   6.505   6.506
   51   2HD   LYS   6          1HD       LYS   6  -4.991   5.748   5.312
   52   1HE   LYS   6          2HE       LYS   6  -6.929   6.739   6.602
   53   2HE   LYS   6          1HE       LYS   6  -5.736   7.682   7.494
   54   1HZ   LYS   6          1HZ       LYS   6  -6.108   9.150   5.852
   55   2HZ   LYS   6          2HZ       LYS   6  -6.670   7.983   4.764
   56   3HZ   LYS   6          3HZ       LYS   6  -5.008   8.198   4.987
   57    H    PHE   7           H        PHE   7  -8.057   3.247   5.515
   58    HA   PHE   7           HA       PHE   7 -10.010   1.278   6.407
   59   1HB   PHE   7          2HB       PHE   7 -10.185   3.934   5.258
   60   2HB   PHE   7          1HB       PHE   7 -11.170   2.779   4.361
   61    HD1  PHE   7           1HD      PHE   7 -12.097   0.976   6.454
   62    HD2  PHE   7           2HD      PHE   7 -11.659   5.209   6.494
   63    HE1  PHE   7           1HE      PHE   7 -13.851   1.137   8.171
   64    HE2  PHE   7           2HE      PHE   7 -13.412   5.378   8.211
   65    HZ   PHE   7           HZ       PHE   7 -14.511   3.341   9.052
   66    H    ALA   8           H        ALA   8 -10.962  -0.190   4.972
   67    HA   ALA   8           HA       ALA   8  -9.216  -1.038   2.834
   68   1HB   ALA   8          1HB       ALA   8 -11.787  -2.378   3.587
   69   2HB   ALA   8          2HB       ALA   8 -10.337  -2.549   4.573
   70   3HB   ALA   8          3HB       ALA   8 -10.327  -3.087   2.894
   71    H    TYR   9           H        TYR   9  -9.715  -1.095   0.670
   72    HA   TYR   9           HA       TYR   9 -12.334  -0.065  -0.157
   73   1HB   TYR   9          2HB       TYR   9 -10.793   1.834  -0.227
   74   2HB   TYR   9          1HB       TYR   9  -9.669   0.903  -1.216
   75    HD1  TYR   9           1HD      TYR   9  -9.592   1.789  -3.342
   76    HD2  TYR   9           2HD      TYR   9 -13.364   1.454  -1.406
   77    HE1  TYR   9           1HE      TYR   9 -10.702   2.603  -5.380
   78    HE2  TYR   9           2HE      TYR   9 -14.487   2.267  -3.438
   79    HH   TYR   9           HH       TYR   9 -12.761   3.639  -6.066
   80    H    VAL  10           H        VAL  10 -13.163  -0.985  -1.979
   81    HA   VAL  10           HA       VAL  10 -11.796  -3.339  -2.957
   82    HB   VAL  10           HB       VAL  10 -13.949  -3.706  -4.230
   83   1HG1  VAL  10          1HG1      VAL  10 -13.604  -4.915  -2.218
   84   2HG1  VAL  10          2HG1      VAL  10 -15.244  -4.269  -2.147
   85   3HG1  VAL  10          3HG1      VAL  10 -13.952  -3.496  -1.228
   86   1HG2  VAL  10          1HG2      VAL  10 -14.414  -1.065  -3.685
   87   2HG2  VAL  10          2HG2      VAL  10 -15.422  -1.877  -2.486
   88   3HG2  VAL  10          3HG2      VAL  10 -15.634  -2.229  -4.202
   89    H    ALA  11           H        ALA  11 -10.433  -3.150  -4.611
   90    HA   ALA  11           HA       ALA  11 -11.233  -2.090  -7.107
   91   1HB   ALA  11          1HB       ALA  11  -8.953  -0.475  -6.167
   92   2HB   ALA  11          2HB       ALA  11 -10.527  -0.075  -5.477
   93   3HB   ALA  11          3HB       ALA  11 -10.295  -0.041  -7.225
   94    H    GLU  12           H        GLU  12 -10.484  -3.967  -7.999
   95    HA   GLU  12           HA       GLU  12  -7.562  -4.321  -7.943
   96   1HB   GLU  12          2HB       GLU  12  -9.551  -6.584  -8.113
   97   2HB   GLU  12          1HB       GLU  12  -7.807  -6.707  -7.933
   98   1HG   GLU  12          2HG       GLU  12  -7.936  -5.762  -5.712
   99   2HG   GLU  12          1HG       GLU  12  -9.674  -5.526  -5.889
  100    H    ARG  13           H        ARG  13  -6.732  -4.000  -9.867
  101    HA   ARG  13           HA       ARG  13  -7.836  -5.227 -12.204
  102   1HB   ARG  13          2HB       ARG  13  -8.921  -3.469 -13.039
  103   2HB   ARG  13          1HB       ARG  13  -8.505  -2.542 -11.606
  104   1HG   ARG  13          2HG       ARG  13  -6.403  -2.681 -13.676
  105   2HG   ARG  13          1HG       ARG  13  -7.871  -1.818 -14.117
  106   1HD   ARG  13          2HD       ARG  13  -7.289  -0.994 -11.529
  107   2HD   ARG  13          1HD       ARG  13  -5.732  -1.028 -12.358
  108    HE   ARG  13           HE       ARG  13  -6.402   0.764 -13.618
  109   1HH1  ARG  13          1HH1      ARG  13  -9.198  -0.631 -12.062
  110   2HH1  ARG  13          2HH1      ARG  13 -10.260   0.649 -12.543
  111   1HH2  ARG  13          1HH2      ARG  13  -7.797   2.449 -14.249
  112   2HH2  ARG  13          2HH2      ARG  13  -9.464   2.397 -13.786
  113    H    GLU  14           H        GLU  14  -6.340  -4.589 -14.174
  114    HA   GLU  14           HA       GLU  14  -3.778  -5.470 -13.598
  115   1HB   GLU  14          2HB       GLU  14  -3.180  -4.400 -15.850
  116   2HB   GLU  14          1HB       GLU  14  -4.448  -5.619 -15.845
  117   1HG   GLU  14          2HG       GLU  14  -5.415  -2.886 -15.471
  118   2HG   GLU  14          1HG       GLU  14  -4.620  -3.172 -17.018
  119    H    ASP  15           H        ASP  15  -2.459  -4.525 -12.193
  120    HA   ASP  15           HA       ASP  15  -0.855  -3.025 -11.507
  121   1HB   ASP  15          2HB       ASP  15  -1.441  -1.955 -13.958
  122   2HB   ASP  15          1HB       ASP  15  -1.901  -0.640 -12.876
  123    H    GLU  16           H        GLU  16  -3.833  -3.316 -10.681
  124    HA   GLU  16           HA       GLU  16  -3.830  -1.021  -8.850
  125   1HB   GLU  16          2HB       GLU  16  -5.612  -0.493 -10.255
  126   2HB   GLU  16          1HB       GLU  16  -6.035  -2.177 -10.509
  127   1HG   GLU  16          2HG       GLU  16  -7.496  -2.161  -8.861
  128   2HG   GLU  16          1HG       GLU  16  -6.349  -1.409  -7.756
  129    H    LEU  17           H        LEU  17  -4.423  -1.439  -6.738
  130    HA   LEU  17           HA       LEU  17  -5.008  -4.236  -6.064
  131   1HB   LEU  17          2HB       LEU  17  -3.621  -3.970  -4.005
  132   2HB   LEU  17          1HB       LEU  17  -2.729  -4.039  -5.512
  133    HG   LEU  17           HG       LEU  17  -1.915  -1.914  -5.291
  134   1HD1  LEU  17          1HD1      LEU  17  -4.245  -1.124  -3.550
  135   2HD1  LEU  17          2HD1      LEU  17  -4.109  -0.789  -5.274
  136   3HD1  LEU  17          3HD1      LEU  17  -2.967  -0.068  -4.149
  137   1HD2  LEU  17          1HD2      LEU  17  -1.283  -1.503  -2.995
  138   2HD2  LEU  17          2HD2      LEU  17  -1.219  -3.230  -3.340
  139   3HD2  LEU  17          3HD2      LEU  17  -2.569  -2.563  -2.424
  140    H    SER  18           H        SER  18  -6.188  -4.611  -4.163
  141    HA   SER  18           HA       SER  18  -7.983  -2.443  -3.487
  142   1HB   SER  18          2HB       SER  18  -9.499  -4.044  -2.805
  143   2HB   SER  18          1HB       SER  18  -8.570  -4.984  -3.976
  144    HG   SER  18           HG       SER  18  -8.589  -5.121  -1.184
  145    H    LEU  19           H        LEU  19  -8.317  -1.701  -1.329
  146    HA   LEU  19           HA       LEU  19  -5.915  -1.981   0.304
  147   1HB   LEU  19          2HB       LEU  19  -8.113  -0.155   1.114
  148   2HB   LEU  19          1HB       LEU  19  -6.373   0.059   1.226
  149    HG   LEU  19           HG       LEU  19  -7.911   0.202  -1.359
  150   1HD1  LEU  19          1HD1      LEU  19  -8.385   1.977   0.482
  151   2HD1  LEU  19          2HD1      LEU  19  -8.069   2.492  -1.174
  152   3HD1  LEU  19          3HD1      LEU  19  -6.791   2.587   0.039
  153   1HD2  LEU  19          1HD2      LEU  19  -5.204   1.346  -0.830
  154   2HD2  LEU  19          2HD2      LEU  19  -5.951   0.898  -2.364
  155   3HD2  LEU  19          3HD2      LEU  19  -5.391  -0.355  -1.257
  156    H    VAL  20           H        VAL  20  -5.941  -2.422   2.494
  157    HA   VAL  20           HA       VAL  20  -8.083  -4.238   3.316
  158    HB   VAL  20           HB       VAL  20  -5.728  -3.912   5.061
  159   1HG1  VAL  20          1HG1      VAL  20  -7.454  -6.132   4.043
  160   2HG1  VAL  20          2HG1      VAL  20  -7.119  -5.640   5.704
  161   3HG1  VAL  20          3HG1      VAL  20  -5.888  -6.493   4.772
  162   1HG2  VAL  20          1HG2      VAL  20  -4.492  -5.555   3.446
  163   2HG2  VAL  20          2HG2      VAL  20  -4.386  -3.813   3.184
  164   3HG2  VAL  20          3HG2      VAL  20  -5.489  -4.785   2.212
  165    H    LYS  21           H        LYS  21  -8.659  -4.257   5.657
  166    HA   LYS  21           HA       LYS  21  -9.014  -1.497   6.585
  167   1HB   LYS  21          2HB       LYS  21 -10.790  -2.493   8.047
  168   2HB   LYS  21          1HB       LYS  21 -11.122  -2.543   6.322
  169   1HG   LYS  21          2HG       LYS  21  -9.856  -4.896   7.650
  170   2HG   LYS  21          1HG       LYS  21 -11.592  -4.627   7.806
  171   1HD   LYS  21          2HD       LYS  21 -11.993  -5.171   5.653
  172   2HD   LYS  21          1HD       LYS  21 -10.524  -4.393   5.074
  173   1HE   LYS  21          2HE       LYS  21 -10.393  -6.779   4.699
  174   2HE   LYS  21          1HE       LYS  21  -9.208  -6.293   5.913
  175   1HZ   LYS  21          1HZ       LYS  21 -10.082  -8.003   7.046
  176   2HZ   LYS  21          2HZ       LYS  21 -11.532  -8.002   6.175
  177   3HZ   LYS  21          3HZ       LYS  21 -11.309  -6.907   7.445
  178    H    GLY  22           H        GLY  22  -7.328  -1.025   7.820
  179   1HA   GLY  22          2HA       GLY  22  -6.122  -0.904   9.775
  180   2HA   GLY  22          1HA       GLY  22  -7.160  -2.159  10.422
  181    H    SER  23           H        SER  23  -5.623  -2.992   7.485
  182    HA   SER  23           HA       SER  23  -3.978  -4.908   8.887
  183   1HB   SER  23          2HB       SER  23  -5.376  -5.056   6.560
  184   2HB   SER  23          1HB       SER  23  -3.737  -4.779   5.974
  185    HG   SER  23           HG       SER  23  -3.218  -6.728   6.560
  186    H    ARG  24           H        ARG  24  -1.725  -5.297   7.734
  187    HA   ARG  24           HA       ARG  24  -0.404  -2.677   7.554
  188   1HB   ARG  24          2HB       ARG  24   0.757  -5.176   8.717
  189   2HB   ARG  24          1HB       ARG  24   1.528  -3.604   8.665
  190   1HG   ARG  24          2HG       ARG  24  -1.084  -3.548   9.942
  191   2HG   ARG  24          1HG       ARG  24   0.061  -4.624  10.753
  192   1HD   ARG  24          2HD       ARG  24   1.682  -2.572  10.442
  193   2HD   ARG  24          1HD       ARG  24   0.168  -1.675  10.348
  194    HE   ARG  24           HE       ARG  24   1.323  -2.893  12.683
  195   1HH1  ARG  24          1HH1      ARG  24  -1.630  -1.757  11.209
  196   2HH1  ARG  24          2HH1      ARG  24  -2.437  -1.510  12.721
  197   1HH2  ARG  24          1HH2      ARG  24   0.266  -2.567  14.670
  198   2HH2  ARG  24          2HH2      ARG  24  -1.360  -1.969  14.687
  199    H    VAL  25           H        VAL  25   1.330  -2.436   6.144
  200    HA   VAL  25           HA       VAL  25   1.660  -4.585   4.153
  201    HB   VAL  25           HB       VAL  25   1.834  -1.657   3.480
  202   1HG1  VAL  25          1HG1      VAL  25   2.821  -2.800   1.752
  203   2HG1  VAL  25          2HG1      VAL  25   1.145  -2.762   1.205
  204   3HG1  VAL  25          3HG1      VAL  25   1.793  -4.219   1.958
  205   1HG2  VAL  25          1HG2      VAL  25  -0.566  -3.337   3.845
  206   2HG2  VAL  25          2HG2      VAL  25  -0.517  -2.351   2.384
  207   3HG2  VAL  25          3HG2      VAL  25  -0.374  -1.587   3.967
  208    H    THR  26           H        THR  26   3.721  -4.353   2.867
  209    HA   THR  26           HA       THR  26   5.908  -3.903   4.691
  210    HB   THR  26           HB       THR  26   7.268  -5.045   3.193
  211    HG1  THR  26           1HG      THR  26   5.656  -3.862   1.312
  212   1HG2  THR  26          1HG2      THR  26   5.227  -6.551   1.957
  213   2HG2  THR  26          2HG2      THR  26   4.685  -6.145   3.584
  214   3HG2  THR  26          3HG2      THR  26   6.222  -6.976   3.348
  215    H    VAL  27           H        VAL  27   7.449  -2.304   4.589
  216    HA   VAL  27           HA       VAL  27   6.719   0.183   3.628
  217    HB   VAL  27           HB       VAL  27   8.457  -0.126   5.329
  218   1HG1  VAL  27          1HG1      VAL  27  10.479  -1.131   4.991
  219   2HG1  VAL  27          2HG1      VAL  27  10.512  -0.742   3.271
  220   3HG1  VAL  27          3HG1      VAL  27   9.495  -2.058   3.858
  221   1HG2  VAL  27          1HG2      VAL  27   8.731   1.608   2.999
  222   2HG2  VAL  27          2HG2      VAL  27  10.244   1.364   3.872
  223   3HG2  VAL  27          3HG2      VAL  27   8.828   1.992   4.716
  224    H    MET  28           H        MET  28   6.153   0.437   1.606
  225    HA   MET  28           HA       MET  28   7.004  -0.780  -0.678
  226   1HB   MET  28          2HB       MET  28   6.185   2.118  -0.525
  227   2HB   MET  28          1HB       MET  28   5.997   1.022  -1.893
  228   1HG   MET  28          2HG       MET  28   3.976   0.520  -1.163
  229   2HG   MET  28          1HG       MET  28   4.700  -0.205   0.267
  230   1HE   MET  28          1HE       MET  28   2.634   1.609   2.727
  231   2HE   MET  28          2HE       MET  28   3.863   0.369   2.473
  232   3HE   MET  28          3HE       MET  28   2.359   0.321   1.554
  233    H    GLU  29           H        GLU  29   7.875   0.785  -2.573
  234    HA   GLU  29           HA       GLU  29  10.663   1.255  -1.859
  235   1HB   GLU  29          2HB       GLU  29  11.175   0.839  -4.085
  236   2HB   GLU  29          1HB       GLU  29   9.766  -0.174  -3.856
  237   1HG   GLU  29          2HG       GLU  29   8.358   1.488  -4.920
  238   2HG   GLU  29          1HG       GLU  29   9.739   2.569  -5.095
  239    H    LYS  30           H        LYS  30  11.616   3.232  -1.904
  240    HA   LYS  30           HA       LYS  30   9.998   5.548  -1.912
  241   1HB   LYS  30          2HB       LYS  30  12.480   4.974  -0.969
  242   2HB   LYS  30          1HB       LYS  30  12.885   5.920  -2.395
  243   1HG   LYS  30          2HG       LYS  30  11.962   7.839  -1.561
  244   2HG   LYS  30          1HG       LYS  30  10.824   6.969  -0.524
  245   1HD   LYS  30          2HD       LYS  30  12.733   6.271   0.898
  246   2HD   LYS  30          1HD       LYS  30  13.796   7.270  -0.095
  247   1HE   LYS  30          2HE       LYS  30  11.410   8.645   0.923
  248   2HE   LYS  30          1HE       LYS  30  12.538   8.109   2.168
  249   1HZ   LYS  30          1HZ       LYS  30  14.077   9.593   1.532
  250   2HZ   LYS  30          2HZ       LYS  30  12.766  10.413   0.848
  251   3HZ   LYS  30          3HZ       LYS  30  13.741   9.423  -0.117
  252    H    CYS  31           H        CYS  31   8.920   5.881  -3.794
  253    HA   CYS  31           HA       CYS  31  10.438   5.981  -6.290
  254   1HB   CYS  31          2HB       CYS  31   7.696   5.352  -5.572
  255   2HB   CYS  31          1HB       CYS  31   7.764   6.543  -6.865
  256    HG   CYS  31           HG       CYS  31   9.510   4.120  -7.422
  257    H    SER  32           H        SER  32  10.411   7.813  -7.646
  258    HA   SER  32           HA       SER  32  10.086  10.322  -6.194
  259   1HB   SER  32          2HB       SER  32  12.165   9.623  -7.608
  260   2HB   SER  32          1HB       SER  32  11.181  10.129  -8.981
  261    HG   SER  32           HG       SER  32  10.902  12.153  -7.750
  262    H    ASP  33           H        ASP  33   8.697   8.553  -8.848
  263    HA   ASP  33           HA       ASP  33   7.073  10.852  -9.628
  264   1HB   ASP  33          2HB       ASP  33   8.015   8.441 -10.951
  265   2HB   ASP  33          1HB       ASP  33   6.279   8.670 -11.174
  266    H    GLY  34           H        GLY  34   4.726  10.309 -10.147
  267   1HA   GLY  34          2HA       GLY  34   3.317   9.804  -7.826
  268   2HA   GLY  34          1HA       GLY  34   2.631   9.686  -9.442
  269    H    TRP  35           H        TRP  35   4.676   7.494 -10.017
  270    HA   TRP  35           HA       TRP  35   2.977   5.325  -9.185
  271   1HB   TRP  35          2HB       TRP  35   4.253   3.956 -10.645
  272   2HB   TRP  35          1HB       TRP  35   4.126   5.515 -11.447
  273    HD1  TRP  35           HD       TRP  35   6.517   7.008  -9.933
  274    HE1  TRP  35           1HE      TRP  35   8.944   6.341 -10.462
  275    HE3  TRP  35           3HE      TRP  35   5.676   2.343 -11.848
  276    HZ2  TRP  35           2HZ      TRP  35  10.322   4.129 -11.546
  277    HZ3  TRP  35           3HZ      TRP  35   7.604   1.015 -12.608
  278    HH2  TRP  35           HH       TRP  35   9.878   1.893 -12.460
  279    H    TRP  36           H        TRP  36   3.318   3.895  -7.571
  280    HA   TRP  36           HA       TRP  36   5.913   3.916  -6.229
  281   1HB   TRP  36          2HB       TRP  36   3.540   5.024  -5.201
  282   2HB   TRP  36          1HB       TRP  36   3.802   3.524  -4.319
  283    HD1  TRP  36           HD       TRP  36   6.428   3.314  -3.274
  284    HE1  TRP  36           1HE      TRP  36   7.761   5.152  -2.053
  285    HE3  TRP  36           3HE      TRP  36   3.888   7.411  -4.964
  286    HZ2  TRP  36           2HZ      TRP  36   7.732   7.967  -1.837
  287    HZ3  TRP  36           3HZ      TRP  36   4.601   9.640  -4.205
  288    HH2  TRP  36           HH       TRP  36   6.484   9.911  -2.674
  289    H    ARG  37           H        ARG  37   6.724   1.962  -5.958
  290    HA   ARG  37           HA       ARG  37   4.926  -0.353  -6.155
  291   1HB   ARG  37          2HB       ARG  37   7.042   0.100  -7.716
  292   2HB   ARG  37          1HB       ARG  37   7.868  -0.691  -6.379
  293   1HG   ARG  37          2HG       ARG  37   7.353  -2.602  -7.387
  294   2HG   ARG  37          1HG       ARG  37   5.719  -2.328  -6.800
  295   1HD   ARG  37          2HD       ARG  37   4.948  -1.616  -8.839
  296   2HD   ARG  37          1HD       ARG  37   6.536  -1.047  -9.358
  297    HE   ARG  37           HE       ARG  37   6.870  -3.719  -9.238
  298   1HH1  ARG  37          1HH1      ARG  37   4.453  -1.712 -10.756
  299   2HH1  ARG  37          2HH1      ARG  37   4.157  -2.828 -12.047
  300   1HH2  ARG  37          1HH2      ARG  37   6.481  -5.189 -10.936
  301   2HH2  ARG  37          2HH2      ARG  37   5.307  -4.802 -12.149
  302    H    GLY  38           H        GLY  38   5.196  -2.111  -4.740
  303   1HA   GLY  38          2HA       GLY  38   7.052  -2.057  -2.576
  304   2HA   GLY  38          1HA       GLY  38   5.467  -1.495  -2.060
  305    H    SER  39           H        SER  39   5.838  -3.427  -0.628
  306    HA   SER  39           HA       SER  39   4.698  -5.799  -1.928
  307   1HB   SER  39          2HB       SER  39   6.408  -6.346   0.404
  308   2HB   SER  39          1HB       SER  39   6.293  -7.198  -1.135
  309    HG   SER  39           HG       SER  39   7.656  -5.701  -2.051
  310    H    TYR  40           H        TYR  40   3.489  -7.199  -0.568
  311    HA   TYR  40           HA       TYR  40   2.557  -6.062   1.961
  312   1HB   TYR  40          2HB       TYR  40   0.933  -5.263   0.359
  313   2HB   TYR  40          1HB       TYR  40   0.783  -6.868  -0.353
  314    HD1  TYR  40           1HD      TYR  40  -0.002  -4.817   2.611
  315    HD2  TYR  40           2HD      TYR  40  -0.646  -8.518   0.617
  316    HE1  TYR  40           1HE      TYR  40  -1.860  -5.313   4.145
  317    HE2  TYR  40           2HE      TYR  40  -2.505  -9.026   2.144
  318    HH   TYR  40           HH       TYR  40  -2.990  -7.883   4.896
  319    H    ASN  41           H        ASN  41   1.835  -7.613   3.450
  320    HA   ASN  41           HA       ASN  41   2.993 -10.147   3.274
  321   1HB   ASN  41          2HB       ASN  41   0.699  -9.311   5.019
  322   2HB   ASN  41          1HB       ASN  41   1.742 -10.701   5.287
  323   1HD2  ASN  41          1HD2      ASN  41   1.161  -7.604   6.186
  324   2HD2  ASN  41          2HD2      ASN  41   2.718  -7.179   6.800
  325    H    GLY  42           H        GLY  42   2.362 -11.039   1.279
  326   1HA   GLY  42          2HA       GLY  42   0.659 -13.033   1.108
  327   2HA   GLY  42          1HA       GLY  42  -0.447 -11.683   0.905
  328    H    GLN  43           H        GLN  43   1.489 -10.064  -0.535
  329    HA   GLN  43           HA       GLN  43   2.385 -11.438  -2.843
  330   1HB   GLN  43          2HB       GLN  43   0.743 -10.330  -4.432
  331   2HB   GLN  43          1HB       GLN  43   0.124 -11.680  -3.484
  332   1HG   GLN  43          2HG       GLN  43  -0.532  -9.664  -1.851
  333   2HG   GLN  43          1HG       GLN  43  -0.577  -8.814  -3.399
  334   1HE2  GLN  43          1HE2      GLN  43  -2.295 -10.667  -1.249
  335   2HE2  GLN  43          2HE2      GLN  43  -3.596 -11.152  -2.285
  336    H    ILE  44           H        ILE  44   2.916  -9.840  -4.656
  337    HA   ILE  44           HA       ILE  44   3.772  -7.276  -3.480
  338    HB   ILE  44           HB       ILE  44   5.239  -9.270  -5.132
  339   1HG1  ILE  44          2HG1      ILE  44   7.134  -8.282  -3.742
  340   2HG1  ILE  44          1HG1      ILE  44   5.887  -7.358  -2.904
  341   1HG2  ILE  44          1HG2      ILE  44   5.701  -6.301  -5.394
  342   2HG2  ILE  44          2HG2      ILE  44   5.251  -7.423  -6.677
  343   3HG2  ILE  44          3HG2      ILE  44   6.837  -7.543  -5.917
  344   1HD1  ILE  44          1HD1      ILE  44   5.891 -10.356  -3.099
  345   2HD1  ILE  44          2HD1      ILE  44   4.868  -9.341  -2.082
  346   3HD1  ILE  44          3HD1      ILE  44   6.598  -9.452  -1.759
  347    H    GLY  45           H        GLY  45   3.979  -5.469  -5.017
  348   1HA   GLY  45          2HA       GLY  45   3.310  -5.350  -7.640
  349   2HA   GLY  45          1HA       GLY  45   1.740  -5.462  -6.853
  350    H    TRP  46           H        TRP  46   0.811  -3.548  -6.774
  351    HA   TRP  46           HA       TRP  46   2.457  -1.142  -6.511
  352   1HB   TRP  46          2HB       TRP  46   0.397  -1.645  -8.211
  353   2HB   TRP  46          1HB       TRP  46  -0.460  -0.854  -6.889
  354    HD1  TRP  46           HD       TRP  46   3.065   0.056  -8.192
  355    HE1  TRP  46           1HE      TRP  46   3.028   2.517  -8.939
  356    HE3  TRP  46           3HE      TRP  46  -1.910   1.026  -7.529
  357    HZ2  TRP  46           2HZ      TRP  46   1.133   4.595  -9.220
  358    HZ3  TRP  46           3HZ      TRP  46  -2.756   3.275  -8.061
  359    HH2  TRP  46           HH       TRP  46  -1.263   5.020  -8.888
  360    H    PHE  47           H        PHE  47   2.084   0.409  -4.925
  361    HA   PHE  47           HA       PHE  47   1.225  -0.624  -2.414
  362   1HB   PHE  47          2HB       PHE  47   2.030   1.387  -1.470
  363   2HB   PHE  47          1HB       PHE  47   3.107   1.034  -2.817
  364    HD1  PHE  47           1HD      PHE  47   2.630   3.701  -1.383
  365    HD2  PHE  47           2HD      PHE  47   1.023   2.020  -4.947
  366    HE1  PHE  47           1HE      PHE  47   2.244   5.961  -2.272
  367    HE2  PHE  47           2HE      PHE  47   0.631   4.276  -5.839
  368    HZ   PHE  47           HZ       PHE  47   1.243   6.252  -4.503
  369    HA   PRO  48           HA       PRO  48  -2.941   0.966  -2.544
  370   1HB   PRO  48          2HB       PRO  48  -3.734   0.105  -0.146
  371   2HB   PRO  48          1HB       PRO  48  -3.322  -1.035  -1.432
  372   1HG   PRO  48          2HG       PRO  48  -1.815  -0.323   1.015
  373   2HG   PRO  48          1HG       PRO  48  -1.802  -1.827   0.083
  374   1HD   PRO  48          2HD       PRO  48   0.079   0.329  -0.034
  375   2HD   PRO  48          1HD       PRO  48   0.060  -1.154  -1.007
  376    H    SER  49           H        SER  49  -0.807   2.836  -1.725
  377    HA   SER  49           HA       SER  49  -0.912   4.229   0.521
  378   1HB   SER  49          2HB       SER  49  -0.339   4.862  -2.194
  379   2HB   SER  49          1HB       SER  49  -1.152   6.239  -1.450
  380    HG   SER  49           HG       SER  49   1.070   4.891  -0.310
  381    H    ASN  50           H        ASN  50  -3.631   4.085  -1.694
  382    HA   ASN  50           HA       ASN  50  -5.120   6.255  -1.167
  383   1HB   ASN  50          2HB       ASN  50  -5.715   3.443  -1.729
  384   2HB   ASN  50          1HB       ASN  50  -7.048   4.350  -1.029
  385   1HD2  ASN  50          1HD2      ASN  50  -8.222   4.198  -2.927
  386   2HD2  ASN  50          2HD2      ASN  50  -7.829   5.140  -4.315
  387    H    TYR  51           H        TYR  51  -4.384   3.702   1.082
  388    HA   TYR  51           HA       TYR  51  -5.237   5.343   3.263
  389   1HB   TYR  51          2HB       TYR  51  -6.840   2.955   2.432
  390   2HB   TYR  51          1HB       TYR  51  -6.669   3.313   4.150
  391    HD1  TYR  51           1HD      TYR  51  -8.573   3.929   1.250
  392    HD2  TYR  51           2HD      TYR  51  -7.228   5.792   4.831
  393    HE1  TYR  51           1HE      TYR  51 -10.401   5.564   1.079
  394    HE2  TYR  51           2HE      TYR  51  -9.053   7.432   4.669
  395    HH   TYR  51           HH       TYR  51 -10.851   7.917   1.899
  396    H    VAL  52           H        VAL  52  -2.788   4.834   3.087
  397    HA   VAL  52           HA       VAL  52  -2.282   2.643   4.949
  398    HB   VAL  52           HB       VAL  52  -0.596   1.639   3.749
  399   1HG1  VAL  52          1HG1      VAL  52  -2.663   2.659   1.845
  400   2HG1  VAL  52          2HG1      VAL  52  -2.504   1.055   2.557
  401   3HG1  VAL  52          3HG1      VAL  52  -1.380   1.581   1.304
  402   1HG2  VAL  52          1HG2      VAL  52   0.967   3.198   3.171
  403   2HG2  VAL  52          2HG2      VAL  52  -0.229   4.318   2.516
  404   3HG2  VAL  52          3HG2      VAL  52   0.265   2.907   1.580
  405    H    LEU  53           H        LEU  53  -0.138   2.746   5.981
  406    HA   LEU  53           HA       LEU  53   0.908   5.477   6.173
  407   1HB   LEU  53          2HB       LEU  53  -0.594   4.726   8.098
  408   2HB   LEU  53          1HB       LEU  53   0.697   3.621   8.503
  409    HG   LEU  53           HG       LEU  53   2.154   5.365   9.063
  410   1HD1  LEU  53          1HD1      LEU  53   1.862   6.868   7.253
  411   2HD1  LEU  53          2HD1      LEU  53   1.501   7.764   8.729
  412   3HD1  LEU  53          3HD1      LEU  53   0.187   7.184   7.705
  413   1HD2  LEU  53          1HD2      LEU  53   1.154   6.033  10.968
  414   2HD2  LEU  53          2HD2      LEU  53  -0.124   4.943  10.428
  415   3HD2  LEU  53          3HD2      LEU  53  -0.254   6.677  10.124
  416    H    GLU  54           H        GLU  54   2.973   5.464   5.539
  417    HA   GLU  54           HA       GLU  54   4.529   3.000   5.881
  418   1HB   GLU  54          2HB       GLU  54   4.300   3.790   3.580
  419   2HB   GLU  54          1HB       GLU  54   4.993   5.342   4.030
  420   1HG   GLU  54          2HG       GLU  54   6.777   3.280   4.840
  421   2HG   GLU  54          1HG       GLU  54   6.311   3.002   3.161
  422    H    GLU  55           H        GLU  55   6.349   2.940   7.066
  423    HA   GLU  55           HA       GLU  55   7.127   5.391   8.453
  424   1HB   GLU  55          2HB       GLU  55   8.004   2.620   9.210
  425   2HB   GLU  55          1HB       GLU  55   7.934   4.057  10.221
  426   1HG   GLU  55          2HG       GLU  55   5.326   3.649   9.374
  427   2HG   GLU  55          1HG       GLU  55   5.950   2.041   9.734
  428    H    VAL  56           H        VAL  56   8.853   6.401   7.668
  429    HA   VAL  56           HA       VAL  56  10.731   4.993   5.986
  430    HB   VAL  56           HB       VAL  56  10.783   7.900   6.788
  431   1HG1  VAL  56          1HG1      VAL  56  12.369   6.208   4.967
  432   2HG1  VAL  56          2HG1      VAL  56  12.817   7.678   5.833
  433   3HG1  VAL  56          3HG1      VAL  56  11.889   7.784   4.337
  434   1HG2  VAL  56          1HG2      VAL  56   9.183   8.381   5.300
  435   2HG2  VAL  56          2HG2      VAL  56   8.778   6.666   5.363
  436   3HG2  VAL  56          3HG2      VAL  56   9.847   7.273   4.099
  437    H    ASP  57           H        ASP  57  11.734   3.630   7.516
  438    HA   ASP  57           HA       ASP  57  12.875   4.339   9.928
  439   1HB   ASP  57          2HB       ASP  57  12.837   2.071   8.320
  440   2HB   ASP  57          1HB       ASP  57  14.549   2.461   8.459
  Start of MODEL    5
    1   1H    ILE   1          1HT       ILE   1  10.953  -1.374   9.998
    2   2H    ILE   1          2HT       ILE   1  10.369  -2.867   9.385
    3   3H    ILE   1          3HT       ILE   1  10.819  -2.730  11.036
    4    HA   ILE   1           HA       ILE   1   8.584  -2.627  11.144
    5    HB   ILE   1           HB       ILE   1   9.291   0.278  10.752
    6   1HG1  ILE   1          2HG1      ILE   1   9.599  -1.257  13.327
    7   2HG1  ILE   1          1HG1      ILE   1  10.928  -1.099  12.182
    8   1HG2  ILE   1          1HG2      ILE   1   7.669   0.410  12.757
    9   2HG2  ILE   1          2HG2      ILE   1   7.169  -1.204  12.253
   10   3HG2  ILE   1          3HG2      ILE   1   7.008   0.156  11.142
   11   1HD1  ILE   1          1HD1      ILE   1   9.645   1.434  12.855
   12   2HD1  ILE   1          2HD1      ILE   1  11.353   0.999  12.802
   13   3HD1  ILE   1          3HD1      ILE   1  10.389   0.613  14.227
   14    HA   PRO   2           HA       PRO   2   6.632  -2.009   7.177
   15   1HB   PRO   2          2HB       PRO   2   4.308  -3.195   7.730
   16   2HB   PRO   2          1HB       PRO   2   5.805  -4.128   7.636
   17   1HG   PRO   2          2HG       PRO   2   4.257  -3.265  10.022
   18   2HG   PRO   2          1HG       PRO   2   5.215  -4.733   9.772
   19   1HD   PRO   2          2HD       PRO   2   6.023  -2.388  11.127
   20   2HD   PRO   2          1HD       PRO   2   7.052  -3.757  10.665
   21    H    ALA   3           H        ALA   3   4.227  -1.368   6.537
   22    HA   ALA   3           HA       ALA   3   3.727   1.179   7.844
   23   1HB   ALA   3          1HB       ALA   3   3.127   0.109   5.123
   24   2HB   ALA   3          2HB       ALA   3   3.961   1.592   5.589
   25   3HB   ALA   3          3HB       ALA   3   2.209   1.474   5.758
   26    H    PHE   4           H        PHE   4   1.317   1.861   7.794
   27    HA   PHE   4           HA       PHE   4  -0.358  -0.383   8.629
   28   1HB   PHE   4          2HB       PHE   4   0.067   0.507  10.689
   29   2HB   PHE   4          1HB       PHE   4   0.284   2.128  10.051
   30    HD1  PHE   4           1HD      PHE   4  -1.242   3.649  10.821
   31    HD2  PHE   4           2HD      PHE   4  -2.487  -0.370  10.186
   32    HE1  PHE   4           1HE      PHE   4  -3.511   4.239  11.566
   33    HE2  PHE   4           2HE      PHE   4  -4.760   0.212  10.930
   34    HZ   PHE   4           HZ       PHE   4  -5.274   2.519  11.621
   35    H    VAL   5           H        VAL   5  -2.122  -0.566   7.411
   36    HA   VAL   5           HA       VAL   5  -2.945   1.523   5.635
   37    HB   VAL   5           HB       VAL   5  -4.439  -1.012   6.321
   38   1HG1  VAL   5          1HG1      VAL   5  -4.605   0.904   4.002
   39   2HG1  VAL   5          2HG1      VAL   5  -5.863   0.521   5.178
   40   3HG1  VAL   5          3HG1      VAL   5  -5.351  -0.694   4.009
   41   1HG2  VAL   5          1HG2      VAL   5  -3.246  -2.168   4.706
   42   2HG2  VAL   5          2HG2      VAL   5  -1.996  -1.196   5.483
   43   3HG2  VAL   5          3HG2      VAL   5  -2.668  -0.693   3.932
   44    H    LYS   6           H        LYS   6  -4.583   2.954   5.826
   45    HA   LYS   6           HA       LYS   6  -5.756   3.299   8.441
   46   1HB   LYS   6          2HB       LYS   6  -6.049   4.914   5.909
   47   2HB   LYS   6          1HB       LYS   6  -6.715   5.368   7.471
   48   1HG   LYS   6          2HG       LYS   6  -4.655   5.880   8.357
   49   2HG   LYS   6          1HG       LYS   6  -3.791   4.841   7.222
   50   1HD   LYS   6          2HD       LYS   6  -3.775   6.419   5.576
   51   2HD   LYS   6          1HD       LYS   6  -5.299   7.138   6.100
   52   1HE   LYS   6          2HE       LYS   6  -2.605   7.457   7.414
   53   2HE   LYS   6          1HE       LYS   6  -3.483   8.683   6.500
   54   1HZ   LYS   6          1HZ       LYS   6  -3.950   7.694   9.210
   55   2HZ   LYS   6          2HZ       LYS   6  -5.306   8.136   8.300
   56   3HZ   LYS   6          3HZ       LYS   6  -4.081   9.265   8.594
   57    H    PHE   7           H        PHE   7  -7.273   3.510   5.259
   58    HA   PHE   7           HA       PHE   7  -9.588   2.087   6.342
   59   1HB   PHE   7          2HB       PHE   7  -9.575   4.614   5.388
   60   2HB   PHE   7          1HB       PHE   7  -9.963   3.710   3.927
   61    HD1  PHE   7           1HD      PHE   7 -10.948   3.109   7.462
   62    HD2  PHE   7           2HD      PHE   7 -12.202   4.073   3.511
   63    HE1  PHE   7           1HE      PHE   7 -13.299   2.964   8.176
   64    HE2  PHE   7           2HE      PHE   7 -14.554   3.930   4.217
   65    HZ   PHE   7           HZ       PHE   7 -15.105   3.376   6.552
   66    H    ALA   8           H        ALA   8 -10.690   0.591   5.032
   67    HA   ALA   8           HA       ALA   8  -8.989  -0.744   3.108
   68   1HB   ALA   8          1HB       ALA   8 -11.045  -1.546   4.925
   69   2HB   ALA   8          2HB       ALA   8  -9.916  -2.546   4.011
   70   3HB   ALA   8          3HB       ALA   8 -11.458  -2.080   3.296
   71    H    TYR   9           H        TYR   9  -9.275  -0.742   0.950
   72    HA   TYR   9           HA       TYR   9 -11.810   0.289  -0.112
   73   1HB   TYR   9          2HB       TYR   9 -10.101   2.108  -0.087
   74   2HB   TYR   9          1HB       TYR   9  -9.087   1.117  -1.132
   75    HD1  TYR   9           1HD      TYR   9  -9.185   1.507  -3.403
   76    HD2  TYR   9           2HD      TYR   9 -12.580   2.443  -1.016
   77    HE1  TYR   9           1HE      TYR   9 -10.320   2.416  -5.385
   78    HE2  TYR   9           2HE      TYR   9 -13.725   3.356  -2.992
   79    HH   TYR   9           HH       TYR   9 -12.102   3.937  -5.953
   80    H    VAL  10           H        VAL  10 -12.404  -0.496  -2.144
   81    HA   VAL  10           HA       VAL  10 -11.178  -3.024  -2.854
   82    HB   VAL  10           HB       VAL  10 -13.086  -3.170  -4.495
   83   1HG1  VAL  10          1HG1      VAL  10 -13.662  -4.406  -2.698
   84   2HG1  VAL  10          2HG1      VAL  10 -14.825  -3.106  -2.441
   85   3HG1  VAL  10          3HG1      VAL  10 -13.299  -3.112  -1.557
   86   1HG2  VAL  10          1HG2      VAL  10 -13.379  -0.659  -4.583
   87   2HG2  VAL  10          2HG2      VAL  10 -14.190  -0.789  -3.021
   88   3HG2  VAL  10          3HG2      VAL  10 -14.860  -1.605  -4.434
   89    H    ALA  11           H        ALA  11 -10.137  -3.430  -4.822
   90    HA   ALA  11           HA       ALA  11  -9.889  -1.141  -6.637
   91   1HB   ALA  11          1HB       ALA  11  -7.565  -1.108  -6.610
   92   2HB   ALA  11          2HB       ALA  11  -7.456  -2.694  -5.850
   93   3HB   ALA  11          3HB       ALA  11  -8.007  -1.303  -4.914
   94    H    GLU  12           H        GLU  12  -8.030  -2.026  -8.313
   95    HA   GLU  12           HA       GLU  12  -9.433  -3.939  -9.922
   96   1HB   GLU  12          2HB       GLU  12  -7.195  -2.028 -10.316
   97   2HB   GLU  12          1HB       GLU  12  -7.252  -3.423 -11.384
   98   1HG   GLU  12          2HG       GLU  12  -8.838  -2.488 -12.607
   99   2HG   GLU  12          1HG       GLU  12  -9.856  -2.252 -11.187
  100    H    ARG  13           H        ARG  13  -7.903  -5.440 -11.243
  101    HA   ARG  13           HA       ARG  13  -6.859  -7.344  -9.370
  102   1HB   ARG  13          2HB       ARG  13  -6.909  -8.900 -11.128
  103   2HB   ARG  13          1HB       ARG  13  -8.291  -7.858 -11.413
  104   1HG   ARG  13          2HG       ARG  13  -5.684  -7.922 -12.897
  105   2HG   ARG  13          1HG       ARG  13  -7.307  -8.221 -13.515
  106   1HD   ARG  13          2HD       ARG  13  -7.886  -5.886 -13.182
  107   2HD   ARG  13          1HD       ARG  13  -6.297  -5.572 -12.486
  108    HE   ARG  13           HE       ARG  13  -6.207  -6.665 -15.143
  109   1HH1  ARG  13          1HH1      ARG  13  -6.452  -3.740 -13.257
  110   2HH1  ARG  13          2HH1      ARG  13  -5.821  -2.729 -14.513
  111   1HH2  ARG  13          1HH2      ARG  13  -5.376  -5.339 -16.796
  112   2HH2  ARG  13          2HH2      ARG  13  -5.211  -3.637 -16.524
  113    H    GLU  14           H        GLU  14  -4.910  -8.524 -11.227
  114    HA   GLU  14           HA       GLU  14  -2.595  -7.501 -10.195
  115   1HB   GLU  14          2HB       GLU  14  -2.866  -8.763 -12.929
  116   2HB   GLU  14          1HB       GLU  14  -1.397  -8.669 -11.968
  117   1HG   GLU  14          2HG       GLU  14  -3.787 -10.011 -10.811
  118   2HG   GLU  14          1HG       GLU  14  -2.840 -10.852 -12.037
  119    H    ASP  15           H        ASP  15  -2.106  -5.522 -10.198
  120    HA   ASP  15           HA       ASP  15  -0.771  -4.020 -11.902
  121   1HB   ASP  15          2HB       ASP  15  -2.488  -4.130 -13.636
  122   2HB   ASP  15          1HB       ASP  15  -3.716  -3.580 -12.495
  123    H    GLU  16           H        GLU  16  -3.844  -3.637 -10.261
  124    HA   GLU  16           HA       GLU  16  -2.595  -1.882  -8.277
  125   1HB   GLU  16          2HB       GLU  16  -3.945  -0.170  -8.805
  126   2HB   GLU  16          1HB       GLU  16  -4.564  -1.099 -10.153
  127   1HG   GLU  16          2HG       GLU  16  -6.258  -2.075  -8.674
  128   2HG   GLU  16          1HG       GLU  16  -5.661  -1.043  -7.383
  129    H    LEU  17           H        LEU  17  -3.520  -2.148  -6.124
  130    HA   LEU  17           HA       LEU  17  -5.267  -4.504  -5.926
  131   1HB   LEU  17          2HB       LEU  17  -3.841  -4.832  -3.687
  132   2HB   LEU  17          1HB       LEU  17  -3.455  -5.603  -5.215
  133    HG   LEU  17           HG       LEU  17  -1.472  -4.688  -4.117
  134   1HD1  LEU  17          1HD1      LEU  17  -1.717  -2.875  -6.421
  135   2HD1  LEU  17          2HD1      LEU  17  -2.038  -4.581  -6.731
  136   3HD1  LEU  17          3HD1      LEU  17  -0.491  -4.085  -6.044
  137   1HD2  LEU  17          1HD2      LEU  17  -1.150  -2.414  -3.660
  138   2HD2  LEU  17          2HD2      LEU  17  -2.768  -2.771  -3.059
  139   3HD2  LEU  17          3HD2      LEU  17  -2.563  -1.935  -4.597
  140    H    SER  18           H        SER  18  -6.569  -4.726  -4.157
  141    HA   SER  18           HA       SER  18  -7.761  -2.364  -3.183
  142   1HB   SER  18          2HB       SER  18  -9.407  -3.729  -2.361
  143   2HB   SER  18          1HB       SER  18  -8.670  -4.853  -3.507
  144    HG   SER  18           HG       SER  18  -7.434  -5.677  -1.746
  145    H    LEU  19           H        LEU  19  -7.881  -1.562  -1.048
  146    HA   LEU  19           HA       LEU  19  -5.418  -1.985   0.458
  147   1HB   LEU  19          2HB       LEU  19  -7.462   0.004   1.305
  148   2HB   LEU  19          1HB       LEU  19  -5.710   0.110   1.353
  149    HG   LEU  19           HG       LEU  19  -7.397   0.339  -1.128
  150   1HD1  LEU  19          1HD1      LEU  19  -7.326   2.598  -0.961
  151   2HD1  LEU  19          2HD1      LEU  19  -5.779   2.596  -0.113
  152   3HD1  LEU  19          3HD1      LEU  19  -7.265   2.217   0.760
  153   1HD2  LEU  19          1HD2      LEU  19  -4.512   1.062  -0.919
  154   2HD2  LEU  19          2HD2      LEU  19  -5.471   0.673  -2.346
  155   3HD2  LEU  19          3HD2      LEU  19  -4.996  -0.605  -1.230
  156    H    VAL  20           H        VAL  20  -5.365  -2.379   2.667
  157    HA   VAL  20           HA       VAL  20  -7.331  -4.249   3.580
  158    HB   VAL  20           HB       VAL  20  -5.192  -3.129   5.355
  159   1HG1  VAL  20          1HG1      VAL  20  -6.922  -5.495   5.261
  160   2HG1  VAL  20          2HG1      VAL  20  -6.185  -4.679   6.638
  161   3HG1  VAL  20          3HG1      VAL  20  -5.242  -5.824   5.684
  162   1HG2  VAL  20          1HG2      VAL  20  -3.923  -3.528   3.417
  163   2HG2  VAL  20          2HG2      VAL  20  -4.828  -4.990   3.024
  164   3HG2  VAL  20          3HG2      VAL  20  -3.723  -4.979   4.399
  165    H    LYS  21           H        LYS  21  -8.321  -4.161   5.721
  166    HA   LYS  21           HA       LYS  21  -9.556  -1.565   6.156
  167   1HB   LYS  21          2HB       LYS  21 -10.228  -4.049   7.700
  168   2HB   LYS  21          1HB       LYS  21 -11.264  -2.690   7.294
  169   1HG   LYS  21          2HG       LYS  21 -11.869  -3.578   5.328
  170   2HG   LYS  21          1HG       LYS  21 -10.247  -4.174   4.978
  171   1HD   LYS  21          2HD       LYS  21 -10.982  -5.777   7.052
  172   2HD   LYS  21          1HD       LYS  21 -12.525  -5.527   6.233
  173   1HE   LYS  21          2HE       LYS  21 -11.181  -6.083   4.085
  174   2HE   LYS  21          1HE       LYS  21 -10.015  -6.791   5.203
  175   1HZ   LYS  21          1HZ       LYS  21 -11.790  -8.194   6.081
  176   2HZ   LYS  21          2HZ       LYS  21 -11.569  -8.449   4.424
  177   3HZ   LYS  21          3HZ       LYS  21 -12.882  -7.533   4.970
  178    H    GLY  22           H        GLY  22  -7.657  -3.956   7.958
  179   1HA   GLY  22          2HA       GLY  22  -6.629  -1.883   9.662
  180   2HA   GLY  22          1HA       GLY  22  -7.695  -2.998  10.487
  181    H    SER  23           H        SER  23  -4.990  -3.129   8.221
  182    HA   SER  23           HA       SER  23  -3.669  -5.040   9.978
  183   1HB   SER  23          2HB       SER  23  -4.882  -5.840   7.639
  184   2HB   SER  23          1HB       SER  23  -3.197  -5.616   7.167
  185    HG   SER  23           HG       SER  23  -2.575  -7.125   8.616
  186    H    ARG  24           H        ARG  24  -1.380  -5.505   8.569
  187    HA   ARG  24           HA       ARG  24  -0.275  -2.804   8.215
  188   1HB   ARG  24          2HB       ARG  24   0.865  -5.177   9.606
  189   2HB   ARG  24          1HB       ARG  24   1.900  -3.887   9.025
  190   1HG   ARG  24          2HG       ARG  24  -0.432  -3.120  10.679
  191   2HG   ARG  24          1HG       ARG  24   0.910  -3.940  11.490
  192   1HD   ARG  24          2HD       ARG  24   2.354  -2.187  10.175
  193   2HD   ARG  24          1HD       ARG  24   0.839  -1.289  10.124
  194    HE   ARG  24           HE       ARG  24   1.136  -0.775  12.322
  195   1HH1  ARG  24          1HH1      ARG  24   3.059  -3.594  11.592
  196   2HH1  ARG  24          2HH1      ARG  24   3.801  -3.647  13.155
  197   1HH2  ARG  24          1HH2      ARG  24   2.111  -0.844  14.379
  198   2HH2  ARG  24          2HH2      ARG  24   3.262  -2.087  14.738
  199    H    VAL  25           H        VAL  25   0.826  -2.377   6.451
  200    HA   VAL  25           HA       VAL  25   1.407  -4.568   4.569
  201    HB   VAL  25           HB       VAL  25   1.056  -1.642   3.894
  202   1HG1  VAL  25          1HG1      VAL  25   2.277  -2.624   2.168
  203   2HG1  VAL  25          2HG1      VAL  25   0.609  -2.714   1.600
  204   3HG1  VAL  25          3HG1      VAL  25   1.389  -4.144   2.277
  205   1HG2  VAL  25          1HG2      VAL  25  -0.992  -2.794   4.864
  206   2HG2  VAL  25          2HG2      VAL  25  -0.982  -3.796   3.413
  207   3HG2  VAL  25          3HG2      VAL  25  -1.177  -2.049   3.276
  208    H    THR  26           H        THR  26   3.339  -4.076   3.096
  209    HA   THR  26           HA       THR  26   5.566  -3.392   4.786
  210    HB   THR  26           HB       THR  26   6.953  -4.220   3.065
  211    HG1  THR  26           1HG      THR  26   4.880  -3.368   1.482
  212   1HG2  THR  26          1HG2      THR  26   6.286  -6.360   2.919
  213   2HG2  THR  26          2HG2      THR  26   4.677  -5.933   2.334
  214   3HG2  THR  26          3HG2      THR  26   5.047  -5.825   4.055
  215    H    VAL  27           H        VAL  27   6.874  -1.616   4.676
  216    HA   VAL  27           HA       VAL  27   5.809   0.808   3.893
  217    HB   VAL  27           HB       VAL  27   7.665   0.604   5.486
  218   1HG1  VAL  27          1HG1      VAL  27   9.439   0.144   3.095
  219   2HG1  VAL  27          2HG1      VAL  27   8.911  -1.127   4.197
  220   3HG1  VAL  27          3HG1      VAL  27   9.919   0.193   4.791
  221   1HG2  VAL  27          1HG2      VAL  27   8.391   2.702   5.093
  222   2HG2  VAL  27          2HG2      VAL  27   7.195   2.656   3.797
  223   3HG2  VAL  27          3HG2      VAL  27   8.893   2.334   3.444
  224    H    MET  28           H        MET  28   5.476   1.726   2.049
  225    HA   MET  28           HA       MET  28   5.993   0.657  -0.438
  226   1HB   MET  28          2HB       MET  28   5.595   3.579   0.209
  227   2HB   MET  28          1HB       MET  28   5.309   2.805  -1.347
  228   1HG   MET  28          2HG       MET  28   3.849   2.015   1.154
  229   2HG   MET  28          1HG       MET  28   3.277   3.279   0.069
  230   1HE   MET  28          1HE       MET  28   3.014   3.049  -2.294
  231   2HE   MET  28          2HE       MET  28   2.157   1.692  -3.020
  232   3HE   MET  28          3HE       MET  28   3.918   1.737  -3.049
  233    H    GLU  29           H        GLU  29   7.035   2.288  -2.170
  234    HA   GLU  29           HA       GLU  29   9.859   2.549  -1.387
  235   1HB   GLU  29          2HB       GLU  29  10.479   1.955  -3.581
  236   2HB   GLU  29          1HB       GLU  29   9.166   0.866  -3.192
  237   1HG   GLU  29          2HG       GLU  29   7.667   1.965  -4.595
  238   2HG   GLU  29          1HG       GLU  29   8.668   3.413  -4.681
  239    H    LYS  30           H        LYS  30  10.942   4.461  -1.809
  240    HA   LYS  30           HA       LYS  30   9.353   6.794  -2.145
  241   1HB   LYS  30          2HB       LYS  30  12.323   6.309  -2.021
  242   2HB   LYS  30          1HB       LYS  30  11.670   7.908  -2.348
  243   1HG   LYS  30          2HG       LYS  30  10.803   8.142  -0.228
  244   2HG   LYS  30          1HG       LYS  30  10.720   6.398   0.042
  245   1HD   LYS  30          2HD       LYS  30  12.856   6.281   0.766
  246   2HD   LYS  30          1HD       LYS  30  13.422   7.486  -0.393
  247   1HE   LYS  30          2HE       LYS  30  13.523   8.122   2.065
  248   2HE   LYS  30          1HE       LYS  30  12.750   9.273   0.977
  249   1HZ   LYS  30          1HZ       LYS  30  10.618   8.590   1.707
  250   2HZ   LYS  30          2HZ       LYS  30  11.541   8.849   3.100
  251   3HZ   LYS  30          3HZ       LYS  30  11.244   7.273   2.565
  252    H    CYS  31           H        CYS  31   8.320   6.826  -4.098
  253    HA   CYS  31           HA       CYS  31   9.973   6.606  -6.513
  254   1HB   CYS  31          2HB       CYS  31   7.767   5.227  -6.032
  255   2HB   CYS  31          1HB       CYS  31   6.991   6.687  -6.638
  256    HG   CYS  31           HG       CYS  31   7.965   6.269  -8.938
  257    H    SER  32           H        SER  32   9.668   8.115  -8.237
  258    HA   SER  32           HA       SER  32   9.056  10.800  -7.269
  259   1HB   SER  32          2HB       SER  32  11.148  10.746  -8.359
  260   2HB   SER  32          1HB       SER  32  10.534   9.737  -9.670
  261    HG   SER  32           HG       SER  32  10.714  12.353  -9.627
  262    H    ASP  33           H        ASP  33   7.906   8.392  -9.499
  263    HA   ASP  33           HA       ASP  33   6.010  10.232 -10.719
  264   1HB   ASP  33          2HB       ASP  33   7.137   7.615 -11.383
  265   2HB   ASP  33          1HB       ASP  33   5.398   7.708 -11.667
  266    H    GLY  34           H        GLY  34   3.712   9.426 -10.947
  267   1HA   GLY  34          2HA       GLY  34   2.535   9.225  -8.403
  268   2HA   GLY  34          1HA       GLY  34   1.702   8.985  -9.935
  269    H    TRP  35           H        TRP  35   3.858   6.772 -10.393
  270    HA   TRP  35           HA       TRP  35   2.191   4.652  -9.357
  271   1HB   TRP  35          2HB       TRP  35   4.752   3.871 -10.584
  272   2HB   TRP  35          1HB       TRP  35   3.118   3.330 -10.946
  273    HD1  TRP  35           HD       TRP  35   1.638   5.337 -12.402
  274    HE1  TRP  35           1HE      TRP  35   2.477   6.652 -14.450
  275    HE3  TRP  35           3HE      TRP  35   6.673   4.730 -11.751
  276    HZ2  TRP  35           2HZ      TRP  35   4.946   7.338 -15.634
  277    HZ3  TRP  35           3HZ      TRP  35   8.205   5.745 -13.387
  278    HH2  TRP  35           HH       TRP  35   7.357   7.022 -15.288
  279    H    TRP  36           H        TRP  36   2.414   4.529  -7.156
  280    HA   TRP  36           HA       TRP  36   5.065   4.426  -5.992
  281   1HB   TRP  36          2HB       TRP  36   2.499   5.219  -5.080
  282   2HB   TRP  36          1HB       TRP  36   3.018   3.866  -4.079
  283    HD1  TRP  36           HD       TRP  36   6.195   4.738  -4.249
  284    HE1  TRP  36           1HE      TRP  36   6.958   6.675  -2.731
  285    HE3  TRP  36           3HE      TRP  36   1.656   6.919  -3.367
  286    HZ2  TRP  36           2HZ      TRP  36   5.790   8.841  -1.349
  287    HZ3  TRP  36           3HZ      TRP  36   1.566   8.920  -1.937
  288    HH2  TRP  36           HH       TRP  36   3.592   9.859  -0.950
  289    H    ARG  37           H        ARG  37   6.118   2.616  -5.560
  290    HA   ARG  37           HA       ARG  37   4.736   0.063  -5.875
  291   1HB   ARG  37          2HB       ARG  37   7.100   0.870  -6.881
  292   2HB   ARG  37          1HB       ARG  37   7.654   0.121  -5.389
  293   1HG   ARG  37          2HG       ARG  37   7.557  -1.850  -6.381
  294   2HG   ARG  37          1HG       ARG  37   5.808  -1.665  -6.523
  295   1HD   ARG  37          2HD       ARG  37   5.918  -1.243  -8.721
  296   2HD   ARG  37          1HD       ARG  37   7.314  -0.183  -8.539
  297    HE   ARG  37           HE       ARG  37   7.333  -2.965  -9.233
  298   1HH1  ARG  37          1HH1      ARG  37   9.182  -0.374  -7.802
  299   2HH1  ARG  37          2HH1      ARG  37  10.713  -1.111  -8.141
  300   1HH2  ARG  37          1HH2      ARG  37   9.344  -3.937  -9.679
  301   2HH2  ARG  37          2HH2      ARG  37  10.805  -3.134  -9.207
  302    H    GLY  38           H        GLY  38   4.893  -1.606  -4.382
  303   1HA   GLY  38          2HA       GLY  38   6.164  -1.293  -1.839
  304   2HA   GLY  38          1HA       GLY  38   4.426  -1.026  -1.740
  305    H    SER  39           H        SER  39   4.868  -2.961  -0.239
  306    HA   SER  39           HA       SER  39   4.291  -5.378  -1.782
  307   1HB   SER  39          2HB       SER  39   5.803  -5.956   0.645
  308   2HB   SER  39          1HB       SER  39   6.035  -6.561  -0.996
  309    HG   SER  39           HG       SER  39   7.108  -4.588  -1.473
  310    H    TYR  40           H        TYR  40   2.879  -6.816  -0.884
  311    HA   TYR  40           HA       TYR  40   1.789  -6.223   1.761
  312   1HB   TYR  40          2HB       TYR  40  -0.076  -5.299   0.928
  313   2HB   TYR  40          1HB       TYR  40   0.474  -5.597  -0.719
  314    HD1  TYR  40           1HD      TYR  40  -0.691  -7.094  -2.072
  315    HD2  TYR  40           2HD      TYR  40  -1.240  -7.267   2.144
  316    HE1  TYR  40           1HE      TYR  40  -2.500  -8.729  -2.380
  317    HE2  TYR  40           2HE      TYR  40  -3.052  -8.905   1.846
  318    HH   TYR  40           HH       TYR  40  -4.415  -9.599  -1.230
  319    H    ASN  41           H        ASN  41   0.893  -8.011   2.811
  320    HA   ASN  41           HA       ASN  41   1.966 -10.506   2.165
  321   1HB   ASN  41          2HB       ASN  41  -0.486 -10.140   3.843
  322   2HB   ASN  41          1HB       ASN  41   0.745 -11.388   3.988
  323   1HD2  ASN  41          1HD2      ASN  41  -0.112  -8.104   4.675
  324   2HD2  ASN  41          2HD2      ASN  41   1.202  -7.765   5.745
  325    H    GLY  42           H        GLY  42   1.465 -10.903  -0.004
  326   1HA   GLY  42          2HA       GLY  42  -0.407 -12.698  -0.663
  327   2HA   GLY  42          1HA       GLY  42  -1.288 -11.186  -0.820
  328    H    GLN  43           H        GLN  43   0.791  -9.584  -1.772
  329    HA   GLN  43           HA       GLN  43   2.109 -10.713  -4.000
  330   1HB   GLN  43          2HB       GLN  43   0.825  -9.771  -5.819
  331   2HB   GLN  43          1HB       GLN  43  -0.210 -10.821  -4.854
  332   1HG   GLN  43          2HG       GLN  43  -0.981  -8.716  -3.665
  333   2HG   GLN  43          1HG       GLN  43  -0.176  -7.821  -4.957
  334   1HE2  GLN  43          1HE2      GLN  43  -2.827  -9.854  -4.085
  335   2HE2  GLN  43          2HE2      GLN  43  -3.726  -9.669  -5.552
  336    H    ILE  44           H        ILE  44   3.156  -9.074  -5.375
  337    HA   ILE  44           HA       ILE  44   3.651  -6.609  -3.847
  338    HB   ILE  44           HB       ILE  44   5.446  -8.410  -5.402
  339   1HG1  ILE  44          2HG1      ILE  44   6.987  -7.785  -3.531
  340   2HG1  ILE  44          1HG1      ILE  44   5.695  -6.778  -2.876
  341   1HG2  ILE  44          1HG2      ILE  44   5.909  -5.441  -5.146
  342   2HG2  ILE  44          2HG2      ILE  44   5.761  -6.371  -6.637
  343   3HG2  ILE  44          3HG2      ILE  44   7.152  -6.614  -5.582
  344   1HD1  ILE  44          1HD1      ILE  44   5.330  -9.710  -3.379
  345   2HD1  ILE  44          2HD1      ILE  44   4.361  -8.635  -2.371
  346   3HD1  ILE  44          3HD1      ILE  44   5.992  -9.082  -1.871
  347    H    GLY  45           H        GLY  45   4.095  -4.665  -5.048
  348   1HA   GLY  45          2HA       GLY  45   4.074  -4.089  -7.658
  349   2HA   GLY  45          1HA       GLY  45   2.371  -4.444  -7.381
  350    H    TRP  46           H        TRP  46   1.447  -2.486  -7.573
  351    HA   TRP  46           HA       TRP  46   2.594  -0.230  -6.108
  352   1HB   TRP  46          2HB       TRP  46   0.464  -0.367  -8.251
  353   2HB   TRP  46          1HB       TRP  46   0.937   1.121  -7.427
  354    HD1  TRP  46           HD       TRP  46   3.289   2.181  -8.065
  355    HE1  TRP  46           1HE      TRP  46   4.883   1.809 -10.050
  356    HE3  TRP  46           3HE      TRP  46   1.329  -2.183  -9.856
  357    HZ2  TRP  46           2HZ      TRP  46   5.256  -0.093 -12.109
  358    HZ3  TRP  46           3HZ      TRP  46   2.362  -3.216 -11.836
  359    HH2  TRP  46           HH       TRP  46   4.284  -2.192 -12.939
  360    H    PHE  47           H        PHE  47   1.413   0.935  -4.576
  361    HA   PHE  47           HA       PHE  47  -1.210  -0.137  -3.812
  362   1HB   PHE  47          2HB       PHE  47   0.913  -1.064  -2.504
  363   2HB   PHE  47          1HB       PHE  47   0.679   0.421  -1.591
  364    HD1  PHE  47           1HD      PHE  47  -0.080  -2.949  -1.691
  365    HD2  PHE  47           2HD      PHE  47  -1.893   0.826  -0.934
  366    HE1  PHE  47           1HE      PHE  47  -1.814  -4.057  -0.345
  367    HE2  PHE  47           2HE      PHE  47  -3.632  -0.277   0.415
  368    HZ   PHE  47           HZ       PHE  47  -3.593  -2.721   0.711
  369    HA   PRO  48           HA       PRO  48  -2.137   4.253  -3.743
  370   1HB   PRO  48          2HB       PRO  48  -4.316   3.132  -2.074
  371   2HB   PRO  48          1HB       PRO  48  -4.416   4.307  -3.386
  372   1HG   PRO  48          2HG       PRO  48  -5.134   1.814  -3.834
  373   2HG   PRO  48          1HG       PRO  48  -4.132   2.661  -5.029
  374   1HD   PRO  48          2HD       PRO  48  -3.337   0.600  -3.010
  375   2HD   PRO  48          1HD       PRO  48  -2.781   0.814  -4.684
  376    H    SER  49           H        SER  49  -0.319   4.773  -2.356
  377    HA   SER  49           HA       SER  49  -0.274   4.380   0.416
  378   1HB   SER  49          2HB       SER  49   1.318   5.716  -1.519
  379   2HB   SER  49          1HB       SER  49   1.028   6.837  -0.185
  380    HG   SER  49           HG       SER  49   2.239   5.650   1.066
  381    H    ASN  50           H        ASN  50  -2.303   6.336  -1.437
  382    HA   ASN  50           HA       ASN  50  -2.731   8.652  -0.145
  383   1HB   ASN  50          2HB       ASN  50  -4.425   6.775  -1.632
  384   2HB   ASN  50          1HB       ASN  50  -5.286   7.949  -0.643
  385   1HD2  ASN  50          1HD2      ASN  50  -5.061  10.142  -1.086
  386   2HD2  ASN  50          2HD2      ASN  50  -4.489  10.698  -2.615
  387    H    TYR  51           H        TYR  51  -3.348   5.490   1.172
  388    HA   TYR  51           HA       TYR  51  -4.123   6.785   3.662
  389   1HB   TYR  51          2HB       TYR  51  -5.744   4.409   2.832
  390   2HB   TYR  51          1HB       TYR  51  -6.150   5.700   3.963
  391    HD1  TYR  51           1HD      TYR  51  -5.855   4.843   0.379
  392    HD2  TYR  51           2HD      TYR  51  -7.297   7.652   3.231
  393    HE1  TYR  51           1HE      TYR  51  -7.144   5.964  -1.389
  394    HE2  TYR  51           2HE      TYR  51  -8.591   8.781   1.470
  395    HH   TYR  51           HH       TYR  51  -9.141   7.418  -1.572
  396    H    VAL  52           H        VAL  52  -1.785   5.969   3.616
  397    HA   VAL  52           HA       VAL  52  -1.759   3.421   5.026
  398    HB   VAL  52           HB       VAL  52  -0.004   2.495   3.833
  399   1HG1  VAL  52          1HG1      VAL  52  -1.978   2.429   2.484
  400   2HG1  VAL  52          2HG1      VAL  52  -0.604   2.738   1.421
  401   3HG1  VAL  52          3HG1      VAL  52  -1.680   4.058   1.877
  402   1HG2  VAL  52          1HG2      VAL  52   0.559   5.248   2.727
  403   2HG2  VAL  52          2HG2      VAL  52   1.373   3.780   2.189
  404   3HG2  VAL  52          3HG2      VAL  52   1.554   4.328   3.855
  405    H    LEU  53           H        LEU  53  -0.072   3.186   6.572
  406    HA   LEU  53           HA       LEU  53   1.098   5.752   7.397
  407   1HB   LEU  53          2HB       LEU  53  -0.203   3.607   8.804
  408   2HB   LEU  53          1HB       LEU  53   1.417   3.827   9.429
  409    HG   LEU  53           HG       LEU  53   0.199   5.200  10.815
  410   1HD1  LEU  53          1HD1      LEU  53   1.127   7.216  10.493
  411   2HD1  LEU  53          2HD1      LEU  53   0.400   7.407   8.897
  412   3HD1  LEU  53          3HD1      LEU  53   1.879   6.462   9.086
  413   1HD2  LEU  53          1HD2      LEU  53  -1.844   4.809   9.204
  414   2HD2  LEU  53          2HD2      LEU  53  -1.455   6.452   8.688
  415   3HD2  LEU  53          3HD2      LEU  53  -1.839   6.126  10.379
  416    H    GLU  54           H        GLU  54   3.207   5.965   6.933
  417    HA   GLU  54           HA       GLU  54   4.818   3.534   6.637
  418   1HB   GLU  54          2HB       GLU  54   4.716   4.979   4.676
  419   2HB   GLU  54          1HB       GLU  54   5.327   6.328   5.625
  420   1HG   GLU  54          2HG       GLU  54   7.050   4.002   5.775
  421   2HG   GLU  54          1HG       GLU  54   6.816   4.571   4.121
  422    H    GLU  55           H        GLU  55   6.511   3.123   7.884
  423    HA   GLU  55           HA       GLU  55   7.350   5.156   9.816
  424   1HB   GLU  55          2HB       GLU  55   7.592   2.223  10.344
  425   2HB   GLU  55          1HB       GLU  55   7.510   3.544  11.500
  426   1HG   GLU  55          2HG       GLU  55   5.107   3.715  10.237
  427   2HG   GLU  55          1HG       GLU  55   5.399   1.981  10.267
  428    H    VAL  56           H        VAL  56   9.368   5.830   9.434
  429    HA   VAL  56           HA       VAL  56  11.131   4.324   7.744
  430    HB   VAL  56           HB       VAL  56  11.950   6.772   9.281
  431   1HG1  VAL  56          1HG1      VAL  56  13.685   6.891   7.849
  432   2HG1  VAL  56          2HG1      VAL  56  12.717   6.367   6.470
  433   3HG1  VAL  56          3HG1      VAL  56  13.350   5.176   7.607
  434   1HG2  VAL  56          1HG2      VAL  56  11.168   7.841   6.952
  435   2HG2  VAL  56          2HG2      VAL  56  10.123   7.761   8.372
  436   3HG2  VAL  56          3HG2      VAL  56   9.969   6.554   7.096
  437    H    ASP  57           H        ASP  57  11.418   2.427   9.033
  438    HA   ASP  57           HA       ASP  57  12.457   2.442  11.647
  439   1HB   ASP  57          2HB       ASP  57  11.387   0.472  10.609
  440   2HB   ASP  57          1HB       ASP  57  12.759   0.314   9.516
  Start of MODEL    6
    1   1H    ILE   1          1HT       ILE   1  10.685  -1.763   7.687
    2   2H    ILE   1          2HT       ILE   1  10.149  -3.181   8.492
    3   3H    ILE   1          3HT       ILE   1  11.194  -2.081   9.293
    4    HA   ILE   1           HA       ILE   1   8.904  -1.946  10.013
    5    HB   ILE   1           HB       ILE   1   8.733   0.630   9.308
    6   1HG1  ILE   1          2HG1      ILE   1  11.153   1.434   9.101
    7   2HG1  ILE   1          1HG1      ILE   1  11.550  -0.219   8.646
    8   1HG2  ILE   1          1HG2      ILE   1  10.238  -0.854  11.346
    9   2HG2  ILE   1          2HG2      ILE   1   9.046   0.433  11.522
   10   3HG2  ILE   1          3HG2      ILE   1  10.720   0.828  11.129
   11   1HD1  ILE   1          1HD1      ILE   1  10.593  -0.030   6.607
   12   2HD1  ILE   1          2HD1      ILE   1  10.984   1.669   6.869
   13   3HD1  ILE   1          3HD1      ILE   1   9.347   1.083   7.170
   14    HA   PRO   2           HA       PRO   2   6.118  -2.220   6.493
   15   1HB   PRO   2          2HB       PRO   2   4.028  -3.258   7.787
   16   2HB   PRO   2          1HB       PRO   2   5.481  -4.220   7.489
   17   1HG   PRO   2          2HG       PRO   2   4.584  -2.864   9.994
   18   2HG   PRO   2          1HG       PRO   2   5.370  -4.440   9.790
   19   1HD   PRO   2          2HD       PRO   2   6.651  -2.075  10.512
   20   2HD   PRO   2          1HD       PRO   2   7.450  -3.521   9.868
   21    H    ALA   3           H        ALA   3   3.461  -1.772   6.653
   22    HA   ALA   3           HA       ALA   3   3.227   0.925   7.766
   23   1HB   ALA   3          1HB       ALA   3   3.406   1.162   5.401
   24   2HB   ALA   3          2HB       ALA   3   1.720   1.440   5.838
   25   3HB   ALA   3          3HB       ALA   3   2.205  -0.101   5.129
   26    H    PHE   4           H        PHE   4   1.018   1.606   8.272
   27    HA   PHE   4           HA       PHE   4  -0.644  -0.660   9.075
   28   1HB   PHE   4          2HB       PHE   4  -0.207   0.246  11.108
   29   2HB   PHE   4          1HB       PHE   4   0.123   1.835  10.432
   30    HD1  PHE   4           1HD      PHE   4  -1.384   3.542  10.805
   31    HD2  PHE   4           2HD      PHE   4  -2.712  -0.491  11.078
   32    HE1  PHE   4           1HE      PHE   4  -3.583   4.324  11.585
   33    HE2  PHE   4           2HE      PHE   4  -4.913   0.282  11.858
   34    HZ   PHE   4           HZ       PHE   4  -5.351   2.693  12.112
   35    H    VAL   5           H        VAL   5  -2.445  -0.895   7.922
   36    HA   VAL   5           HA       VAL   5  -3.458   1.310   6.327
   37    HB   VAL   5           HB       VAL   5  -4.566  -1.490   6.519
   38   1HG1  VAL   5          1HG1      VAL   5  -5.270   0.884   5.010
   39   2HG1  VAL   5          2HG1      VAL   5  -6.164  -0.618   5.234
   40   3HG1  VAL   5          3HG1      VAL   5  -4.946  -0.497   3.965
   41   1HG2  VAL   5          1HG2      VAL   5  -2.029  -0.840   5.653
   42   2HG2  VAL   5          2HG2      VAL   5  -2.970  -0.886   4.162
   43   3HG2  VAL   5          3HG2      VAL   5  -2.932  -2.293   5.226
   44    H    LYS   6           H        LYS   6  -5.573   2.137   6.442
   45    HA   LYS   6           HA       LYS   6  -6.835   1.795   9.068
   46   1HB   LYS   6          2HB       LYS   6  -7.401   4.067   7.189
   47   2HB   LYS   6          1HB       LYS   6  -7.658   3.990   8.925
   48   1HG   LYS   6          2HG       LYS   6  -5.623   4.770   9.351
   49   2HG   LYS   6          1HG       LYS   6  -4.868   3.632   8.235
   50   1HD   LYS   6          2HD       LYS   6  -4.840   5.121   6.528
   51   2HD   LYS   6          1HD       LYS   6  -6.367   5.862   7.009
   52   1HE   LYS   6          2HE       LYS   6  -5.039   6.812   8.990
   53   2HE   LYS   6          1HE       LYS   6  -3.606   6.379   8.061
   54   1HZ   LYS   6          1HZ       LYS   6  -5.526   8.506   7.621
   55   2HZ   LYS   6          2HZ       LYS   6  -5.029   7.689   6.226
   56   3HZ   LYS   6          3HZ       LYS   6  -3.883   8.429   7.226
   57    H    PHE   7           H        PHE   7  -8.136   2.930   5.986
   58    HA   PHE   7           HA       PHE   7 -10.482   1.268   6.419
   59   1HB   PHE   7          2HB       PHE   7 -10.021   3.874   5.278
   60   2HB   PHE   7          1HB       PHE   7 -10.879   2.848   4.128
   61    HD1  PHE   7           1HD      PHE   7 -12.549   1.207   5.870
   62    HD2  PHE   7           2HD      PHE   7 -11.594   5.347   6.107
   63    HE1  PHE   7           1HE      PHE   7 -14.655   1.619   7.072
   64    HE2  PHE   7           2HE      PHE   7 -13.699   5.767   7.311
   65    HZ   PHE   7           HZ       PHE   7 -15.233   3.902   7.794
   66    H    ALA   8           H        ALA   8 -11.433   0.078   4.650
   67    HA   ALA   8           HA       ALA   8  -9.395  -1.044   2.881
   68   1HB   ALA   8          1HB       ALA   8 -11.387  -2.227   4.535
   69   2HB   ALA   8          2HB       ALA   8 -10.143  -3.017   3.567
   70   3HB   ALA   8          3HB       ALA   8 -11.715  -2.656   2.857
   71    H    TYR   9           H        TYR   9  -9.811  -1.385   0.689
   72    HA   TYR   9           HA       TYR   9 -12.259  -0.192  -0.405
   73   1HB   TYR   9          2HB       TYR   9 -10.271   1.414  -0.472
   74   2HB   TYR   9          1HB       TYR   9  -9.554   0.308  -1.645
   75    HD1  TYR   9           1HD      TYR   9  -9.580   1.472  -3.665
   76    HD2  TYR   9           2HD      TYR   9 -13.099   1.399  -1.275
   77    HE1  TYR   9           1HE      TYR   9 -10.824   2.582  -5.473
   78    HE2  TYR   9           2HE      TYR   9 -14.352   2.508  -3.075
   79    HH   TYR   9           HH       TYR   9 -13.317   4.185  -5.275
   80    H    VAL  10           H        VAL  10 -13.129  -1.298  -2.089
   81    HA   VAL  10           HA       VAL  10 -11.876  -3.809  -2.792
   82    HB   VAL  10           HB       VAL  10 -13.996  -4.317  -3.946
   83   1HG1  VAL  10          1HG1      VAL  10 -13.771  -3.651  -1.092
   84   2HG1  VAL  10          2HG1      VAL  10 -14.261  -5.153  -1.874
   85   3HG1  VAL  10          3HG1      VAL  10 -15.417  -3.833  -1.693
   86   1HG2  VAL  10          1HG2      VAL  10 -14.366  -1.464  -3.657
   87   2HG2  VAL  10          2HG2      VAL  10 -15.738  -2.358  -3.002
   88   3HG2  VAL  10          3HG2      VAL  10 -15.236  -2.614  -4.673
   89    H    ALA  11           H        ALA  11 -10.401  -3.739  -4.352
   90    HA   ALA  11           HA       ALA  11 -10.838  -3.461  -7.002
   91   1HB   ALA  11          1HB       ALA  11  -9.692  -1.074  -7.286
   92   2HB   ALA  11          2HB       ALA  11 -10.518  -0.789  -5.754
   93   3HB   ALA  11          3HB       ALA  11 -11.441  -1.272  -7.177
   94    H    GLU  12           H        GLU  12  -9.251  -5.085  -6.858
   95    HA   GLU  12           HA       GLU  12  -6.511  -4.049  -6.617
   96   1HB   GLU  12          2HB       GLU  12  -6.080  -6.580  -5.894
   97   2HB   GLU  12          1HB       GLU  12  -6.462  -5.325  -4.726
   98   1HG   GLU  12          2HG       GLU  12  -8.434  -6.241  -4.197
   99   2HG   GLU  12          1HG       GLU  12  -8.800  -6.667  -5.868
  100    H    ARG  13           H        ARG  13  -5.534  -4.168  -8.482
  101    HA   ARG  13           HA       ARG  13  -5.491  -6.577 -10.023
  102   1HB   ARG  13          2HB       ARG  13  -7.409  -5.815 -11.105
  103   2HB   ARG  13          1HB       ARG  13  -6.930  -4.129 -10.963
  104   1HG   ARG  13          2HG       ARG  13  -5.105  -5.686 -12.616
  105   2HG   ARG  13          1HG       ARG  13  -6.761  -5.679 -13.222
  106   1HD   ARG  13          2HD       ARG  13  -6.059  -3.051 -12.361
  107   2HD   ARG  13          1HD       ARG  13  -4.809  -3.659 -13.440
  108    HE   ARG  13           HE       ARG  13  -7.636  -3.775 -14.230
  109   1HH1  ARG  13          1HH1      ARG  13  -4.384  -2.620 -14.802
  110   2HH1  ARG  13          2HH1      ARG  13  -4.745  -2.030 -16.387
  111   1HH2  ARG  13          1HH2      ARG  13  -8.100  -2.998 -16.312
  112   2HH2  ARG  13          2HH2      ARG  13  -6.849  -2.243 -17.244
  113    H    GLU  14           H        GLU  14  -3.697  -6.606 -11.501
  114    HA   GLU  14           HA       GLU  14  -1.461  -5.157 -10.694
  115   1HB   GLU  14          2HB       GLU  14  -0.469  -5.843 -12.896
  116   2HB   GLU  14          1HB       GLU  14  -1.173  -7.170 -11.981
  117   1HG   GLU  14          2HG       GLU  14  -3.292  -6.488 -13.467
  118   2HG   GLU  14          1HG       GLU  14  -1.995  -5.990 -14.553
  119    H    ASP  15           H        ASP  15  -1.448  -3.012 -10.644
  120    HA   ASP  15           HA       ASP  15  -0.846  -1.088 -12.074
  121   1HB   ASP  15          2HB       ASP  15  -1.960  -2.022 -14.102
  122   2HB   ASP  15          1HB       ASP  15  -3.522  -1.662 -13.366
  123    H    GLU  16           H        GLU  16  -3.793  -2.159 -10.562
  124    HA   GLU  16           HA       GLU  16  -4.239   0.553  -9.517
  125   1HB   GLU  16          2HB       GLU  16  -6.524   0.051  -9.215
  126   2HB   GLU  16          1HB       GLU  16  -6.119  -0.615 -10.778
  127   1HG   GLU  16          2HG       GLU  16  -5.874  -2.830  -9.730
  128   2HG   GLU  16          1HG       GLU  16  -6.456  -2.116  -8.229
  129    H    LEU  17           H        LEU  17  -4.633   0.854  -7.296
  130    HA   LEU  17           HA       LEU  17  -3.472  -1.269  -5.627
  131   1HB   LEU  17          2HB       LEU  17  -3.007   0.562  -4.004
  132   2HB   LEU  17          1HB       LEU  17  -2.168   0.719  -5.540
  133    HG   LEU  17           HG       LEU  17  -4.324   2.229  -6.078
  134   1HD1  LEU  17          1HD1      LEU  17  -4.672   1.714  -3.377
  135   2HD1  LEU  17          2HD1      LEU  17  -5.453   2.982  -4.321
  136   3HD1  LEU  17          3HD1      LEU  17  -3.973   3.333  -3.429
  137   1HD2  LEU  17          1HD2      LEU  17  -1.635   2.631  -5.680
  138   2HD2  LEU  17          2HD2      LEU  17  -2.376   3.746  -4.533
  139   3HD2  LEU  17          3HD2      LEU  17  -2.788   3.840  -6.245
  140    H    SER  18           H        SER  18  -4.605  -2.181  -4.032
  141    HA   SER  18           HA       SER  18  -7.287  -1.151  -3.488
  142   1HB   SER  18          2HB       SER  18  -7.958  -3.372  -2.916
  143   2HB   SER  18          1HB       SER  18  -7.033  -3.500  -4.414
  144    HG   SER  18           HG       SER  18  -6.578  -4.722  -2.115
  145    H    LEU  19           H        LEU  19  -8.022  -0.946  -1.352
  146    HA   LEU  19           HA       LEU  19  -5.867  -0.609   0.591
  147   1HB   LEU  19          2HB       LEU  19  -8.704   0.370   0.456
  148   2HB   LEU  19          1HB       LEU  19  -7.761   0.485   1.932
  149    HG   LEU  19           HG       LEU  19  -7.810   2.573   0.563
  150   1HD1  LEU  19          1HD1      LEU  19  -6.048   2.211   2.176
  151   2HD1  LEU  19          2HD1      LEU  19  -5.396   3.004   0.742
  152   3HD1  LEU  19          3HD1      LEU  19  -5.123   1.280   0.998
  153   1HD2  LEU  19          1HD2      LEU  19  -7.605   1.133  -1.608
  154   2HD2  LEU  19          2HD2      LEU  19  -5.874   1.291  -1.312
  155   3HD2  LEU  19          3HD2      LEU  19  -6.868   2.733  -1.529
  156    H    VAL  20           H        VAL  20  -5.945  -1.462   2.679
  157    HA   VAL  20           HA       VAL  20  -7.372  -4.004   2.863
  158    HB   VAL  20           HB       VAL  20  -5.435  -3.083   4.947
  159   1HG1  VAL  20          1HG1      VAL  20  -6.377  -5.690   3.823
  160   2HG1  VAL  20          2HG1      VAL  20  -6.358  -5.133   5.496
  161   3HG1  VAL  20          3HG1      VAL  20  -4.852  -5.591   4.703
  162   1HG2  VAL  20          1HG2      VAL  20  -3.559  -3.954   3.636
  163   2HG2  VAL  20          2HG2      VAL  20  -4.308  -2.567   2.846
  164   3HG2  VAL  20          3HG2      VAL  20  -4.634  -4.197   2.258
  165    H    LYS  21           H        LYS  21  -8.234  -4.639   5.021
  166    HA   LYS  21           HA       LYS  21 -10.096  -2.674   5.932
  167   1HB   LYS  21          2HB       LYS  21  -9.461  -5.475   6.855
  168   2HB   LYS  21          1HB       LYS  21 -10.703  -4.483   7.606
  169   1HG   LYS  21          2HG       LYS  21 -12.157  -5.119   6.069
  170   2HG   LYS  21          1HG       LYS  21 -11.133  -4.443   4.802
  171   1HD   LYS  21          2HD       LYS  21  -9.860  -6.800   5.433
  172   2HD   LYS  21          1HD       LYS  21 -11.568  -7.222   5.578
  173   1HE   LYS  21          2HE       LYS  21 -11.769  -5.973   3.293
  174   2HE   LYS  21          1HE       LYS  21 -10.036  -6.286   3.190
  175   1HZ   LYS  21          1HZ       LYS  21 -10.361  -8.551   3.109
  176   2HZ   LYS  21          2HZ       LYS  21 -11.688  -7.990   2.220
  177   3HZ   LYS  21          3HZ       LYS  21 -11.893  -8.481   3.826
  178    H    GLY  22           H        GLY  22  -7.393  -4.383   7.505
  179   1HA   GLY  22          2HA       GLY  22  -6.629  -2.063   8.971
  180   2HA   GLY  22          1HA       GLY  22  -7.490  -3.203   9.987
  181    H    SER  23           H        SER  23  -5.498  -4.296   7.362
  182    HA   SER  23           HA       SER  23  -3.737  -5.578   9.283
  183   1HB   SER  23          2HB       SER  23  -4.845  -6.355   6.783
  184   2HB   SER  23          1HB       SER  23  -3.088  -6.338   6.622
  185    HG   SER  23           HG       SER  23  -3.436  -8.287   7.456
  186    H    ARG  24           H        ARG  24  -1.388  -5.821   8.488
  187    HA   ARG  24           HA       ARG  24  -0.426  -3.139   7.824
  188   1HB   ARG  24          2HB       ARG  24   0.977  -5.449   9.109
  189   2HB   ARG  24          1HB       ARG  24   1.735  -3.912   8.751
  190   1HG   ARG  24          2HG       ARG  24  -0.713  -3.598  10.270
  191   2HG   ARG  24          1HG       ARG  24   0.465  -4.624  11.100
  192   1HD   ARG  24          2HD       ARG  24   2.158  -2.772  10.516
  193   2HD   ARG  24          1HD       ARG  24   0.738  -1.772  10.211
  194    HE   ARG  24           HE       ARG  24   0.499  -1.554  12.461
  195   1HH1  ARG  24          1HH1      ARG  24   2.338  -4.456  11.846
  196   2HH1  ARG  24          2HH1      ARG  24   2.615  -4.786  13.523
  197   1HH2  ARG  24          1HH2      ARG  24   0.862  -1.987  14.668
  198   2HH2  ARG  24          2HH2      ARG  24   1.777  -3.384  15.126
  199    H    VAL  25           H        VAL  25   1.176  -2.797   6.276
  200    HA   VAL  25           HA       VAL  25   1.579  -5.007   4.363
  201    HB   VAL  25           HB       VAL  25   1.262  -2.091   3.653
  202   1HG1  VAL  25          1HG1      VAL  25   2.565  -3.164   2.002
  203   2HG1  VAL  25          2HG1      VAL  25   0.931  -3.056   1.354
  204   3HG1  VAL  25          3HG1      VAL  25   1.522  -4.587   2.001
  205   1HG2  VAL  25          1HG2      VAL  25  -0.728  -4.342   3.581
  206   2HG2  VAL  25          2HG2      VAL  25  -0.935  -2.829   2.698
  207   3HG2  VAL  25          3HG2      VAL  25  -0.849  -2.818   4.459
  208    H    THR  26           H        THR  26   3.505  -4.643   2.901
  209    HA   THR  26           HA       THR  26   5.759  -3.873   4.532
  210    HB   THR  26           HB       THR  26   7.114  -4.975   3.022
  211    HG1  THR  26           1HG      THR  26   5.350  -3.964   1.174
  212   1HG2  THR  26          1HG2      THR  26   4.589  -6.254   3.434
  213   2HG2  THR  26          2HG2      THR  26   6.199  -6.959   3.310
  214   3HG2  THR  26          3HG2      THR  26   5.244  -6.686   1.855
  215    H    VAL  27           H        VAL  27   7.096  -2.129   4.269
  216    HA   VAL  27           HA       VAL  27   6.050   0.229   3.269
  217    HB   VAL  27           HB       VAL  27   7.895   0.161   4.885
  218   1HG1  VAL  27          1HG1      VAL  27  10.131  -0.378   4.289
  219   2HG1  VAL  27          2HG1      VAL  27   9.715  -0.507   2.581
  220   3HG1  VAL  27          3HG1      VAL  27   9.116  -1.707   3.726
  221   1HG2  VAL  27          1HG2      VAL  27   8.658   1.670   2.386
  222   2HG2  VAL  27          2HG2      VAL  27   9.154   2.044   4.037
  223   3HG2  VAL  27          3HG2      VAL  27   7.462   2.203   3.568
  224    H    MET  28           H        MET  28   5.642   0.857   1.309
  225    HA   MET  28           HA       MET  28   6.392  -0.477  -1.020
  226   1HB   MET  28          2HB       MET  28   5.535   2.408  -0.908
  227   2HB   MET  28          1HB       MET  28   5.277   1.249  -2.210
  228   1HG   MET  28          2HG       MET  28   3.282   0.834  -1.355
  229   2HG   MET  28          1HG       MET  28   4.084   0.100   0.030
  230   1HE   MET  28          1HE       MET  28   3.722   0.466   1.988
  231   2HE   MET  28          2HE       MET  28   2.376   1.460   2.546
  232   3HE   MET  28          3HE       MET  28   4.036   2.014   2.771
  233    H    GLU  29           H        GLU  29   7.214   1.113  -2.927
  234    HA   GLU  29           HA       GLU  29   9.986   1.647  -2.235
  235   1HB   GLU  29          2HB       GLU  29   9.093   1.904  -5.036
  236   2HB   GLU  29          1HB       GLU  29  10.499   1.103  -4.371
  237   1HG   GLU  29          2HG       GLU  29   8.197  -0.366  -3.606
  238   2HG   GLU  29          1HG       GLU  29   8.109  -0.028  -5.331
  239    H    LYS  30           H        LYS  30  11.051   3.525  -3.228
  240    HA   LYS  30           HA       LYS  30   9.260   5.817  -3.515
  241   1HB   LYS  30          2HB       LYS  30  10.184   6.094  -1.359
  242   2HB   LYS  30          1HB       LYS  30  11.784   5.598  -1.896
  243   1HG   LYS  30          2HG       LYS  30  11.499   8.044  -1.447
  244   2HG   LYS  30          1HG       LYS  30  12.136   7.633  -3.039
  245   1HD   LYS  30          2HD       LYS  30   9.877   7.909  -3.981
  246   2HD   LYS  30          1HD       LYS  30   9.282   8.371  -2.386
  247   1HE   LYS  30          2HE       LYS  30   9.795  10.277  -3.949
  248   2HE   LYS  30          1HE       LYS  30  10.584  10.350  -2.374
  249   1HZ   LYS  30          1HZ       LYS  30  12.626   9.938  -3.273
  250   2HZ   LYS  30          2HZ       LYS  30  11.918  10.774  -4.562
  251   3HZ   LYS  30          3HZ       LYS  30  12.014   9.085  -4.600
  252    H    CYS  31           H        CYS  31   9.354   6.089  -5.651
  253    HA   CYS  31           HA       CYS  31  11.978   6.283  -6.951
  254   1HB   CYS  31          2HB       CYS  31   9.874   4.772  -7.728
  255   2HB   CYS  31          1HB       CYS  31   9.523   6.255  -8.609
  256    HG   CYS  31           HG       CYS  31  11.030   4.584 -10.021
  257    H    SER  32           H        SER  32  12.272   7.989  -8.545
  258    HA   SER  32           HA       SER  32  11.594  10.524  -7.566
  259   1HB   SER  32          2HB       SER  32  13.521   9.842  -9.144
  260   2HB   SER  32          1HB       SER  32  12.341  10.037 -10.441
  261    HG   SER  32           HG       SER  32  12.938  12.041  -8.525
  262    H    ASP  33           H        ASP  33   9.929   8.400  -9.748
  263    HA   ASP  33           HA       ASP  33   8.175  10.475 -10.748
  264   1HB   ASP  33          2HB       ASP  33   8.712   7.654 -11.365
  265   2HB   ASP  33          1HB       ASP  33   7.009   8.100 -11.483
  266    H    GLY  34           H        GLY  34   5.755  10.031 -10.651
  267   1HA   GLY  34          2HA       GLY  34   4.983  10.002  -7.906
  268   2HA   GLY  34          1HA       GLY  34   3.909  10.171  -9.288
  269    H    TRP  35           H        TRP  35   5.488   7.471 -10.064
  270    HA   TRP  35           HA       TRP  35   3.355   5.795  -9.042
  271   1HB   TRP  35          2HB       TRP  35   3.960   4.224 -10.667
  272   2HB   TRP  35          1HB       TRP  35   4.306   5.763 -11.445
  273    HD1  TRP  35           HD       TRP  35   7.155   6.422 -10.437
  274    HE1  TRP  35           1HE      TRP  35   9.169   4.945 -11.061
  275    HE3  TRP  35           3HE      TRP  35   4.670   2.105 -11.588
  276    HZ2  TRP  35           2HZ      TRP  35   9.642   2.299 -11.925
  277    HZ3  TRP  35           3HZ      TRP  35   5.976   0.147 -12.304
  278    HH2  TRP  35           HH       TRP  35   8.411   0.244 -12.470
  279    H    TRP  36           H        TRP  36   3.528   4.302  -7.465
  280    HA   TRP  36           HA       TRP  36   6.171   3.529  -6.519
  281   1HB   TRP  36          2HB       TRP  36   3.996   4.631  -4.736
  282   2HB   TRP  36          1HB       TRP  36   5.481   3.872  -4.163
  283    HD1  TRP  36           HD       TRP  36   7.809   5.191  -4.938
  284    HE1  TRP  36           1HE      TRP  36   8.242   7.727  -5.075
  285    HE3  TRP  36           3HE      TRP  36   2.977   6.818  -5.152
  286    HZ2  TRP  36           2HZ      TRP  36   6.725  10.102  -5.251
  287    HZ3  TRP  36           3HZ      TRP  36   2.547   9.235  -5.303
  288    HH2  TRP  36           HH       TRP  36   4.385  10.844  -5.351
  289    H    ARG  37           H        ARG  37   6.301   1.413  -6.207
  290    HA   ARG  37           HA       ARG  37   3.803  -0.106  -6.031
  291   1HB   ARG  37          2HB       ARG  37   6.140  -0.493  -7.540
  292   2HB   ARG  37          1HB       ARG  37   6.162  -1.748  -6.309
  293   1HG   ARG  37          2HG       ARG  37   3.567  -1.829  -7.173
  294   2HG   ARG  37          1HG       ARG  37   4.447  -1.439  -8.650
  295   1HD   ARG  37          2HD       ARG  37   4.076  -3.911  -8.073
  296   2HD   ARG  37          1HD       ARG  37   5.690  -3.407  -8.574
  297    HE   ARG  37           HE       ARG  37   5.250  -3.415  -5.719
  298   1HH1  ARG  37          1HH1      ARG  37   6.304  -5.258  -8.489
  299   2HH1  ARG  37          2HH1      ARG  37   7.257  -6.358  -7.550
  300   1HH2  ARG  37          1HH2      ARG  37   6.503  -4.859  -4.485
  301   2HH2  ARG  37          2HH2      ARG  37   7.370  -6.132  -5.278
  302    H    GLY  38           H        GLY  38   3.524  -1.710  -4.443
  303   1HA   GLY  38          2HA       GLY  38   5.431  -1.587  -2.201
  304   2HA   GLY  38          1HA       GLY  38   3.708  -1.364  -1.916
  305    H    SER  39           H        SER  39   5.303  -3.341  -0.694
  306    HA   SER  39           HA       SER  39   4.290  -5.792  -1.952
  307   1HB   SER  39          2HB       SER  39   6.160  -6.429   0.096
  308   2HB   SER  39          1HB       SER  39   6.343  -6.644  -1.647
  309    HG   SER  39           HG       SER  39   7.646  -4.974  -0.077
  310    H    TYR  40           H        TYR  40   3.409  -7.408  -0.625
  311    HA   TYR  40           HA       TYR  40   2.344  -6.448   1.954
  312   1HB   TYR  40          2HB       TYR  40   1.040  -7.753  -0.372
  313   2HB   TYR  40          1HB       TYR  40   0.496  -8.247   1.224
  314    HD1  TYR  40           1HD      TYR  40  -1.184  -7.057   2.257
  315    HD2  TYR  40           2HD      TYR  40   1.043  -5.187  -0.847
  316    HE1  TYR  40           1HE      TYR  40  -2.728  -5.149   2.310
  317    HE2  TYR  40           2HE      TYR  40  -0.494  -3.265  -0.798
  318    HH   TYR  40           HH       TYR  40  -2.634  -2.686   1.687
  319    H    ASN  41           H        ASN  41   2.278  -7.982   3.636
  320    HA   ASN  41           HA       ASN  41   4.213 -10.036   3.549
  321   1HB   ASN  41          2HB       ASN  41   3.002 -10.810   5.705
  322   2HB   ASN  41          1HB       ASN  41   3.781  -9.227   5.706
  323   1HD2  ASN  41          1HD2      ASN  41   2.540  -7.391   5.782
  324   2HD2  ASN  41          2HD2      ASN  41   0.850  -7.413   6.136
  325    H    GLY  42           H        GLY  42   3.699 -11.289   1.717
  326   1HA   GLY  42          2HA       GLY  42   2.884 -13.650   1.569
  327   2HA   GLY  42          1HA       GLY  42   1.320 -12.984   2.016
  328    H    GLN  43           H        GLN  43   2.216 -10.576   0.235
  329    HA   GLN  43           HA       GLN  43   2.145 -11.669  -2.412
  330   1HB   GLN  43          2HB       GLN  43  -0.006 -10.317  -2.929
  331   2HB   GLN  43          1HB       GLN  43  -0.158 -11.907  -2.189
  332   1HG   GLN  43          2HG       GLN  43  -0.402 -10.836   0.010
  333   2HG   GLN  43          1HG       GLN  43  -0.314  -9.254  -0.772
  334   1HE2  GLN  43          1HE2      GLN  43  -2.251 -11.982  -0.041
  335   2HE2  GLN  43          2HE2      GLN  43  -3.731 -11.391  -0.720
  336    H    ILE  44           H        ILE  44   1.759  -9.757  -4.042
  337    HA   ILE  44           HA       ILE  44   2.919  -7.282  -2.988
  338    HB   ILE  44           HB       ILE  44   4.088  -9.073  -5.064
  339   1HG1  ILE  44          2HG1      ILE  44   6.180  -8.040  -3.998
  340   2HG1  ILE  44          1HG1      ILE  44   5.067  -7.329  -2.828
  341   1HG2  ILE  44          1HG2      ILE  44   5.391  -7.184  -6.003
  342   2HG2  ILE  44          2HG2      ILE  44   4.341  -6.068  -5.130
  343   3HG2  ILE  44          3HG2      ILE  44   3.673  -7.103  -6.392
  344   1HD1  ILE  44          1HD1      ILE  44   6.239  -9.868  -2.765
  345   2HD1  ILE  44          2HD1      ILE  44   4.523 -10.118  -3.084
  346   3HD1  ILE  44          3HD1      ILE  44   5.032  -9.201  -1.665
  347    H    GLY  45           H        GLY  45   2.648  -5.425  -4.371
  348   1HA   GLY  45          2HA       GLY  45   1.138  -5.474  -6.761
  349   2HA   GLY  45          1HA       GLY  45   0.067  -5.148  -5.403
  350    H    TRP  46           H        TRP  46  -0.431  -3.065  -5.999
  351    HA   TRP  46           HA       TRP  46   1.765  -1.148  -6.256
  352   1HB   TRP  46          2HB       TRP  46  -0.246  -1.322  -7.904
  353   2HB   TRP  46          1HB       TRP  46  -1.125  -0.440  -6.654
  354    HD1  TRP  46           HD       TRP  46   2.553   0.294  -7.477
  355    HE1  TRP  46           1HE      TRP  46   2.722   2.691  -8.401
  356    HE3  TRP  46           3HE      TRP  46  -2.431   1.379  -7.830
  357    HZ2  TRP  46           2HZ      TRP  46   0.972   4.762  -9.187
  358    HZ3  TRP  46           3HZ      TRP  46  -3.099   3.589  -8.679
  359    HH2  TRP  46           HH       TRP  46  -1.432   5.244  -9.343
  360    H    PHE  47           H        PHE  47   1.927   0.686  -4.977
  361    HA   PHE  47           HA       PHE  47   1.386   0.394  -2.283
  362   1HB   PHE  47          2HB       PHE  47   2.366   2.468  -1.971
  363   2HB   PHE  47          1HB       PHE  47   3.039   1.968  -3.521
  364    HD1  PHE  47           1HD      PHE  47   1.978   4.707  -1.870
  365    HD2  PHE  47           2HD      PHE  47   1.192   2.660  -5.518
  366    HE1  PHE  47           1HE      PHE  47   1.168   6.805  -2.868
  367    HE2  PHE  47           2HE      PHE  47   0.384   4.757  -6.523
  368    HZ   PHE  47           HZ       PHE  47   0.370   6.831  -5.198
  369    HA   PRO  48           HA       PRO  48  -2.882   1.820  -2.300
  370   1HB   PRO  48          2HB       PRO  48  -3.669   0.362  -0.183
  371   2HB   PRO  48          1HB       PRO  48  -3.412  -0.364  -1.771
  372   1HG   PRO  48          2HG       PRO  48  -1.811  -0.619   0.678
  373   2HG   PRO  48          1HG       PRO  48  -1.858  -1.666  -0.748
  374   1HD   PRO  48          2HD       PRO  48   0.059   0.398  -0.085
  375   2HD   PRO  48          1HD       PRO  48   0.079  -0.737  -1.449
  376    H    SER  49           H        SER  49  -0.696   3.341  -1.117
  377    HA   SER  49           HA       SER  49  -0.965   3.987   1.542
  378   1HB   SER  49          2HB       SER  49   0.373   5.052  -0.723
  379   2HB   SER  49          1HB       SER  49  -0.390   6.389   0.142
  380    HG   SER  49           HG       SER  49   0.658   5.669   2.032
  381    H    ASN  50           H        ASN  50  -3.359   4.451  -0.807
  382    HA   ASN  50           HA       ASN  50  -4.536   6.834  -0.395
  383   1HB   ASN  50          2HB       ASN  50  -5.505   4.131  -0.978
  384   2HB   ASN  50          1HB       ASN  50  -6.729   5.235  -0.367
  385   1HD2  ASN  50          1HD2      ASN  50  -7.790   5.217  -2.342
  386   2HD2  ASN  50          2HD2      ASN  50  -7.177   6.075  -3.705
  387    H    TYR  51           H        TYR  51  -4.345   4.205   1.883
  388    HA   TYR  51           HA       TYR  51  -5.061   5.983   4.023
  389   1HB   TYR  51          2HB       TYR  51  -6.808   3.568   3.470
  390   2HB   TYR  51          1HB       TYR  51  -6.883   4.571   4.920
  391    HD1  TYR  51           1HD      TYR  51  -7.667   4.382   1.347
  392    HD2  TYR  51           2HD      TYR  51  -7.868   6.790   4.847
  393    HE1  TYR  51           1HE      TYR  51  -9.276   5.864   0.226
  394    HE2  TYR  51           2HE      TYR  51  -9.480   8.280   3.736
  395    HH   TYR  51           HH       TYR  51 -11.096   7.472   0.926
  396    H    VAL  52           H        VAL  52  -2.711   5.182   3.942
  397    HA   VAL  52           HA       VAL  52  -2.526   2.982   5.847
  398    HB   VAL  52           HB       VAL  52  -1.007   1.723   4.703
  399   1HG1  VAL  52          1HG1      VAL  52  -2.582   3.115   2.550
  400   2HG1  VAL  52          2HG1      VAL  52  -2.985   1.614   3.384
  401   3HG1  VAL  52          3HG1      VAL  52  -1.614   1.667   2.275
  402   1HG2  VAL  52          1HG2      VAL  52   0.298   2.757   2.697
  403   2HG2  VAL  52          2HG2      VAL  52   0.813   3.107   4.347
  404   3HG2  VAL  52          3HG2      VAL  52  -0.132   4.294   3.449
  405    H    LEU  53           H        LEU  53  -0.393   2.905   6.958
  406    HA   LEU  53           HA       LEU  53   0.717   5.602   7.260
  407   1HB   LEU  53          2HB       LEU  53  -0.412   4.966   9.254
  408   2HB   LEU  53          1HB       LEU  53   0.325   3.383   9.228
  409    HG   LEU  53           HG       LEU  53   2.448   4.302   9.813
  410   1HD1  LEU  53          1HD1      LEU  53   1.115   6.842   9.118
  411   2HD1  LEU  53          2HD1      LEU  53   2.772   6.313   8.824
  412   3HD1  LEU  53          3HD1      LEU  53   2.298   6.880  10.426
  413   1HD2  LEU  53          1HD2      LEU  53   0.444   5.653  11.591
  414   2HD2  LEU  53          2HD2      LEU  53   2.006   4.962  12.032
  415   3HD2  LEU  53          3HD2      LEU  53   0.671   3.904  11.572
  416    H    GLU  54           H        GLU  54   2.713   5.753   6.417
  417    HA   GLU  54           HA       GLU  54   4.358   3.322   6.302
  418   1HB   GLU  54          2HB       GLU  54   3.850   4.386   4.149
  419   2HB   GLU  54          1HB       GLU  54   4.617   5.869   4.704
  420   1HG   GLU  54          2HG       GLU  54   6.401   3.644   5.028
  421   2HG   GLU  54          1HG       GLU  54   5.804   3.720   3.368
  422    H    GLU  55           H        GLU  55   6.328   3.207   7.217
  423    HA   GLU  55           HA       GLU  55   7.283   5.576   8.653
  424   1HB   GLU  55          2HB       GLU  55   8.020   2.804   9.486
  425   2HB   GLU  55          1HB       GLU  55   7.932   4.263  10.461
  426   1HG   GLU  55          2HG       GLU  55   5.349   3.908   9.641
  427   2HG   GLU  55          1HG       GLU  55   5.922   2.262   9.889
  428    H    VAL  56           H        VAL  56   9.072   6.385   7.756
  429    HA   VAL  56           HA       VAL  56  10.791   4.640   6.186
  430    HB   VAL  56           HB       VAL  56  10.844   7.651   6.416
  431   1HG1  VAL  56          1HG1      VAL  56  12.455   5.679   4.859
  432   2HG1  VAL  56          2HG1      VAL  56  12.975   7.134   5.710
  433   3HG1  VAL  56          3HG1      VAL  56  12.127   7.270   4.170
  434   1HG2  VAL  56          1HG2      VAL  56  10.077   7.090   3.866
  435   2HG2  VAL  56          2HG2      VAL  56   8.971   7.492   5.181
  436   3HG2  VAL  56          3HG2      VAL  56   9.271   5.805   4.765
  437    H    ASP  57           H        ASP  57  11.712   3.578   8.042
  438    HA   ASP  57           HA       ASP  57  13.096   4.938  10.082
  439   1HB   ASP  57          2HB       ASP  57  12.382   2.574  10.245
  440   2HB   ASP  57          1HB       ASP  57  13.580   2.143   9.029
  Start of MODEL    7
    1   1H    ILE   1          1HT       ILE   1  10.471  -2.703  11.596
    2   2H    ILE   1          2HT       ILE   1  10.743  -1.516  10.387
    3   3H    ILE   1          3HT       ILE   1  10.120  -3.056   9.956
    4    HA   ILE   1           HA       ILE   1   8.238  -2.494  11.519
    5    HB   ILE   1           HB       ILE   1   9.116   0.301  10.812
    6   1HG1  ILE   1          2HG1      ILE   1   9.332  -1.093  13.490
    7   2HG1  ILE   1          1HG1      ILE   1  10.689  -0.718  12.433
    8   1HG2  ILE   1          1HG2      ILE   1   6.738   0.070  11.068
    9   2HG2  ILE   1          2HG2      ILE   1   7.382   0.914  12.476
   10   3HG2  ILE   1          3HG2      ILE   1   6.944  -0.790  12.594
   11   1HD1  ILE   1          1HD1      ILE   1  10.660   1.489  12.956
   12   2HD1  ILE   1          2HD1      ILE   1  10.006   0.832  14.455
   13   3HD1  ILE   1          3HD1      ILE   1   8.921   1.514  13.244
   14    HA   PRO   2           HA       PRO   2   6.667  -2.343   7.331
   15   1HB   PRO   2          2HB       PRO   2   4.291  -3.470   7.807
   16   2HB   PRO   2          1HB       PRO   2   5.784  -4.409   7.897
   17   1HG   PRO   2          2HG       PRO   2   4.080  -3.341  10.088
   18   2HG   PRO   2          1HG       PRO   2   5.026  -4.837  10.025
   19   1HD   PRO   2          2HD       PRO   2   5.781  -2.423  11.263
   20   2HD   PRO   2          1HD       PRO   2   6.832  -3.815  10.937
   21    H    ALA   3           H        ALA   3   4.197  -1.835   6.536
   22    HA   ALA   3           HA       ALA   3   3.712   0.870   7.489
   23   1HB   ALA   3          1HB       ALA   3   3.959   1.023   5.212
   24   2HB   ALA   3          2HB       ALA   3   2.207   0.879   5.355
   25   3HB   ALA   3          3HB       ALA   3   3.174  -0.529   4.915
   26    H    PHE   4           H        PHE   4   1.302   1.557   7.336
   27    HA   PHE   4           HA       PHE   4  -0.411  -0.568   8.369
   28   1HB   PHE   4          2HB       PHE   4   0.393   0.664  10.277
   29   2HB   PHE   4          1HB       PHE   4  -0.090   2.176   9.522
   30    HD1  PHE   4           1HD      PHE   4  -1.288  -0.871  11.166
   31    HD2  PHE   4           2HD      PHE   4  -2.365   2.913   9.547
   32    HE1  PHE   4           1HE      PHE   4  -3.494  -1.043  12.244
   33    HE2  PHE   4           2HE      PHE   4  -4.573   2.750  10.621
   34    HZ   PHE   4           HZ       PHE   4  -5.139   0.770  11.971
   35    H    VAL   5           H        VAL   5  -2.383  -0.676   7.480
   36    HA   VAL   5           HA       VAL   5  -3.112   1.305   5.491
   37    HB   VAL   5           HB       VAL   5  -4.648  -1.159   6.325
   38   1HG1  VAL   5          1HG1      VAL   5  -6.054   0.359   5.137
   39   2HG1  VAL   5          2HG1      VAL   5  -5.602  -0.930   4.021
   40   3HG1  VAL   5          3HG1      VAL   5  -4.813   0.644   3.918
   41   1HG2  VAL   5          1HG2      VAL   5  -2.610  -0.823   4.126
   42   2HG2  VAL   5          2HG2      VAL   5  -3.625  -2.245   4.370
   43   3HG2  VAL   5          3HG2      VAL   5  -2.427  -1.799   5.585
   44    H    LYS   6           H        LYS   6  -4.709   2.791   5.665
   45    HA   LYS   6           HA       LYS   6  -5.822   3.223   8.302
   46   1HB   LYS   6          2HB       LYS   6  -6.009   4.862   5.776
   47   2HB   LYS   6          1HB       LYS   6  -6.664   5.349   7.333
   48   1HG   LYS   6          2HG       LYS   6  -4.563   5.674   8.259
   49   2HG   LYS   6          1HG       LYS   6  -3.766   4.667   7.049
   50   1HD   LYS   6          2HD       LYS   6  -3.698   6.340   5.502
   51   2HD   LYS   6          1HD       LYS   6  -5.184   7.089   6.088
   52   1HE   LYS   6          2HE       LYS   6  -3.121   7.208   8.096
   53   2HE   LYS   6          1HE       LYS   6  -2.553   7.907   6.581
   54   1HZ   LYS   6          1HZ       LYS   6  -3.560   9.701   7.535
   55   2HZ   LYS   6          2HZ       LYS   6  -4.738   8.783   8.330
   56   3HZ   LYS   6          3HZ       LYS   6  -4.873   9.077   6.670
   57    H    PHE   7           H        PHE   7  -7.059   2.752   5.028
   58    HA   PHE   7           HA       PHE   7  -9.518   1.695   6.171
   59   1HB   PHE   7          2HB       PHE   7  -9.285   4.210   4.824
   60   2HB   PHE   7          1HB       PHE   7 -10.270   3.121   3.850
   61    HD1  PHE   7           1HD      PHE   7 -11.784   1.587   5.715
   62    HD2  PHE   7           2HD      PHE   7 -10.640   5.678   5.943
   63    HE1  PHE   7           1HE      PHE   7 -13.717   2.041   7.166
   64    HE2  PHE   7           2HE      PHE   7 -12.571   6.141   7.394
   65    HZ   PHE   7           HZ       PHE   7 -14.113   4.321   8.008
   66    H    ALA   8           H        ALA   8 -10.660   0.238   4.838
   67    HA   ALA   8           HA       ALA   8  -8.980  -1.184   2.984
   68   1HB   ALA   8          1HB       ALA   8 -11.247  -1.801   4.624
   69   2HB   ALA   8          2HB       ALA   8 -10.121  -2.895   3.822
   70   3HB   ALA   8          3HB       ALA   8 -11.549  -2.318   2.966
   71    H    TYR   9           H        TYR   9  -9.246  -1.385   0.806
   72    HA   TYR   9           HA       TYR   9 -11.487   0.032  -0.451
   73   1HB   TYR   9          2HB       TYR   9  -9.468   1.509  -0.430
   74   2HB   TYR   9          1HB       TYR   9  -8.615   0.287  -1.372
   75    HD1  TYR   9           1HD      TYR   9  -8.174   1.645  -3.281
   76    HD2  TYR   9           2HD      TYR   9 -12.166   1.170  -1.885
   77    HE1  TYR   9           1HE      TYR   9  -9.016   2.653  -5.359
   78    HE2  TYR   9           2HE      TYR   9 -13.017   2.175  -3.960
   79    HH   TYR   9           HH       TYR   9 -11.210   3.937  -6.026
   80    H    VAL  10           H        VAL  10 -12.479  -1.202  -1.910
   81    HA   VAL  10           HA       VAL  10 -11.247  -3.691  -2.722
   82    HB   VAL  10           HB       VAL  10 -13.488  -4.112  -3.814
   83   1HG1  VAL  10          1HG1      VAL  10 -12.982  -5.079  -1.674
   84   2HG1  VAL  10          2HG1      VAL  10 -14.645  -4.494  -1.652
   85   3HG1  VAL  10          3HG1      VAL  10 -13.374  -3.570  -0.852
   86   1HG2  VAL  10          1HG2      VAL  10 -14.786  -2.060  -2.178
   87   2HG2  VAL  10          2HG2      VAL  10 -15.135  -2.589  -3.822
   88   3HG2  VAL  10          3HG2      VAL  10 -13.849  -1.420  -3.527
   89    H    ALA  11           H        ALA  11  -9.901  -3.586  -4.408
   90    HA   ALA  11           HA       ALA  11 -10.784  -2.985  -6.992
   91   1HB   ALA  11          1HB       ALA  11  -8.790  -0.910  -6.350
   92   2HB   ALA  11          2HB       ALA  11 -10.416  -0.650  -5.717
   93   3HB   ALA  11          3HB       ALA  11 -10.168  -0.861  -7.451
   94    H    GLU  12           H        GLU  12  -9.725  -4.682  -7.821
   95    HA   GLU  12           HA       GLU  12  -6.794  -4.685  -7.551
   96   1HB   GLU  12          2HB       GLU  12  -8.486  -7.176  -7.751
   97   2HB   GLU  12          1HB       GLU  12  -6.759  -7.077  -7.431
   98   1HG   GLU  12          2HG       GLU  12  -7.049  -6.640  -5.247
   99   2HG   GLU  12          1HG       GLU  12  -8.486  -5.655  -5.523
  100    H    ARG  13           H        ARG  13  -5.876  -4.337  -9.426
  101    HA   ARG  13           HA       ARG  13  -6.651  -5.782 -11.770
  102   1HB   ARG  13          2HB       ARG  13  -7.873  -4.206 -12.762
  103   2HB   ARG  13          1HB       ARG  13  -7.689  -3.186 -11.344
  104   1HG   ARG  13          2HG       ARG  13  -5.429  -3.118 -13.237
  105   2HG   ARG  13          1HG       ARG  13  -6.954  -2.484 -13.839
  106   1HD   ARG  13          2HD       ARG  13  -6.675  -1.493 -11.241
  107   2HD   ARG  13          1HD       ARG  13  -5.092  -1.314 -12.000
  108    HE   ARG  13           HE       ARG  13  -6.729  -0.348 -13.892
  109   1HH1  ARG  13          1HH1      ARG  13  -6.510   0.316 -10.473
  110   2HH1  ARG  13          2HH1      ARG  13  -7.071   1.945 -10.627
  111   1HH2  ARG  13          1HH2      ARG  13  -7.467   1.791 -14.095
  112   2HH2  ARG  13          2HH2      ARG  13  -7.616   2.783 -12.683
  113    H    GLU  14           H        GLU  14  -5.110  -4.979 -13.674
  114    HA   GLU  14           HA       GLU  14  -2.506  -5.529 -12.897
  115   1HB   GLU  14          2HB       GLU  14  -1.837  -4.601 -15.114
  116   2HB   GLU  14          1HB       GLU  14  -3.162  -5.751 -15.203
  117   1HG   GLU  14          2HG       GLU  14  -4.721  -3.769 -15.218
  118   2HG   GLU  14          1HG       GLU  14  -3.291  -2.763 -15.445
  119    H    ASP  15           H        ASP  15  -1.400  -4.407 -11.446
  120    HA   ASP  15           HA       ASP  15  -0.033  -2.698 -10.718
  121   1HB   ASP  15          2HB       ASP  15  -0.620  -1.712 -13.179
  122   2HB   ASP  15          1HB       ASP  15  -1.399  -0.505 -12.153
  123    H    GLU  16           H        GLU  16  -3.059  -3.359 -10.112
  124    HA   GLU  16           HA       GLU  16  -3.373  -1.176  -8.172
  125   1HB   GLU  16          2HB       GLU  16  -5.116  -0.687  -9.602
  126   2HB   GLU  16          1HB       GLU  16  -5.344  -2.360 -10.071
  127   1HG   GLU  16          2HG       GLU  16  -6.944  -2.646  -8.580
  128   2HG   GLU  16          1HG       GLU  16  -5.947  -1.980  -7.289
  129    H    LEU  17           H        LEU  17  -3.854  -1.759  -6.120
  130    HA   LEU  17           HA       LEU  17  -4.439  -4.590  -5.601
  131   1HB   LEU  17          2HB       LEU  17  -3.015  -4.247  -3.477
  132   2HB   LEU  17          1HB       LEU  17  -2.211  -4.544  -5.010
  133    HG   LEU  17           HG       LEU  17  -1.674  -2.185  -5.231
  134   1HD1  LEU  17          1HD1      LEU  17  -3.417  -1.942  -2.824
  135   2HD1  LEU  17          2HD1      LEU  17  -3.368  -0.953  -4.282
  136   3HD1  LEU  17          3HD1      LEU  17  -2.099  -0.798  -3.069
  137   1HD2  LEU  17          1HD2      LEU  17   0.100  -3.121  -4.169
  138   2HD2  LEU  17          2HD2      LEU  17  -0.875  -3.723  -2.830
  139   3HD2  LEU  17          3HD2      LEU  17  -0.414  -2.022  -2.889
  140    H    SER  18           H        SER  18  -5.825  -5.015  -3.900
  141    HA   SER  18           HA       SER  18  -7.543  -2.855  -3.147
  142   1HB   SER  18          2HB       SER  18  -9.047  -4.458  -2.500
  143   2HB   SER  18          1HB       SER  18  -8.043  -5.445  -3.564
  144    HG   SER  18           HG       SER  18  -8.189  -5.411  -0.769
  145    H    LEU  19           H        LEU  19  -7.929  -2.051  -1.060
  146    HA   LEU  19           HA       LEU  19  -5.605  -2.240   0.696
  147   1HB   LEU  19          2HB       LEU  19  -7.786  -0.261   0.282
  148   2HB   LEU  19          1HB       LEU  19  -7.046  -0.342   1.874
  149    HG   LEU  19           HG       LEU  19  -5.960   1.378   0.604
  150   1HD1  LEU  19          1HD1      LEU  19  -3.894   0.841   1.285
  151   2HD1  LEU  19          2HD1      LEU  19  -3.851  -0.637   0.324
  152   3HD1  LEU  19          3HD1      LEU  19  -4.656  -0.628   1.893
  153   1HD2  LEU  19          1HD2      LEU  19  -4.698  -0.218  -1.441
  154   2HD2  LEU  19          2HD2      LEU  19  -5.624   1.276  -1.591
  155   3HD2  LEU  19          3HD2      LEU  19  -6.455  -0.279  -1.584
  156    H    VAL  20           H        VAL  20  -5.758  -2.606   2.918
  157    HA   VAL  20           HA       VAL  20  -7.933  -4.397   3.670
  158    HB   VAL  20           HB       VAL  20  -5.716  -3.805   5.565
  159   1HG1  VAL  20          1HG1      VAL  20  -7.469  -6.085   4.835
  160   2HG1  VAL  20          2HG1      VAL  20  -7.023  -5.461   6.423
  161   3HG1  VAL  20          3HG1      VAL  20  -5.881  -6.447   5.510
  162   1HG2  VAL  20          1HG2      VAL  20  -4.399  -3.905   3.597
  163   2HG2  VAL  20          2HG2      VAL  20  -5.328  -5.259   2.957
  164   3HG2  VAL  20          3HG2      VAL  20  -4.277  -5.492   4.354
  165    H    LYS  21           H        LYS  21  -9.106  -4.144   5.664
  166    HA   LYS  21           HA       LYS  21 -10.021  -1.535   6.126
  167   1HB   LYS  21          2HB       LYS  21 -10.882  -2.674   8.357
  168   2HB   LYS  21          1HB       LYS  21 -11.604  -3.038   6.797
  169   1HG   LYS  21          2HG       LYS  21  -9.336  -4.735   7.637
  170   2HG   LYS  21          1HG       LYS  21 -10.848  -4.915   8.531
  171   1HD   LYS  21          2HD       LYS  21 -11.731  -6.093   6.867
  172   2HD   LYS  21          1HD       LYS  21 -11.422  -4.784   5.731
  173   1HE   LYS  21          2HE       LYS  21  -8.942  -5.991   6.182
  174   2HE   LYS  21          1HE       LYS  21 -10.084  -7.313   6.022
  175   1HZ   LYS  21          1HZ       LYS  21  -9.791  -5.096   4.075
  176   2HZ   LYS  21          2HZ       LYS  21 -10.803  -6.442   3.915
  177   3HZ   LYS  21          3HZ       LYS  21  -9.124  -6.640   3.890
  178    H    GLY  22           H        GLY  22  -7.677  -3.497   7.930
  179   1HA   GLY  22          2HA       GLY  22  -6.441  -1.110   8.936
  180   2HA   GLY  22          1HA       GLY  22  -7.284  -2.019  10.174
  181    H    SER  23           H        SER  23  -5.793  -3.700   7.540
  182    HA   SER  23           HA       SER  23  -4.090  -5.114   9.350
  183   1HB   SER  23          2HB       SER  23  -5.231  -6.179   7.395
  184   2HB   SER  23          1HB       SER  23  -4.116  -5.292   6.358
  185    HG   SER  23           HG       SER  23  -3.293  -7.056   8.413
  186    H    ARG  24           H        ARG  24  -1.785  -5.603   8.049
  187    HA   ARG  24           HA       ARG  24  -0.520  -2.957   7.841
  188   1HB   ARG  24          2HB       ARG  24   0.459  -5.470   9.116
  189   2HB   ARG  24          1HB       ARG  24   1.559  -4.181   8.668
  190   1HG   ARG  24          2HG       ARG  24  -0.789  -3.395  10.270
  191   2HG   ARG  24          1HG       ARG  24   0.419  -4.396  11.086
  192   1HD   ARG  24          2HD       ARG  24   2.096  -2.684  10.024
  193   2HD   ARG  24          1HD       ARG  24   0.669  -1.650   9.947
  194    HE   ARG  24           HE       ARG  24   0.826  -1.353  12.202
  195   1HH1  ARG  24          1HH1      ARG  24   2.636  -4.211  11.341
  196   2HH1  ARG  24          2HH1      ARG  24   3.282  -4.434  12.933
  197   1HH2  ARG  24          1HH2      ARG  24   1.674  -1.644  14.294
  198   2HH2  ARG  24          2HH2      ARG  24   2.736  -2.976  14.610
  199    H    VAL  25           H        VAL  25   1.141  -2.676   6.364
  200    HA   VAL  25           HA       VAL  25   1.364  -4.757   4.285
  201    HB   VAL  25           HB       VAL  25   1.477  -1.765   3.871
  202   1HG1  VAL  25          1HG1      VAL  25   2.776  -2.814   2.197
  203   2HG1  VAL  25          2HG1      VAL  25   1.219  -2.449   1.456
  204   3HG1  VAL  25          3HG1      VAL  25   1.583  -4.095   1.973
  205   1HG2  VAL  25          1HG2      VAL  25  -0.770  -2.409   4.478
  206   2HG2  VAL  25          2HG2      VAL  25  -0.746  -3.717   3.295
  207   3HG2  VAL  25          3HG2      VAL  25  -0.708  -2.040   2.754
  208    H    THR  26           H        THR  26   3.422  -4.535   2.952
  209    HA   THR  26           HA       THR  26   5.644  -4.227   4.771
  210    HB   THR  26           HB       THR  26   6.951  -5.330   3.215
  211    HG1  THR  26           1HG      THR  26   5.397  -3.954   1.401
  212   1HG2  THR  26          1HG2      THR  26   4.207  -6.250   2.409
  213   2HG2  THR  26          2HG2      THR  26   5.102  -6.820   3.816
  214   3HG2  THR  26          3HG2      THR  26   5.718  -7.130   2.193
  215    H    VAL  27           H        VAL  27   7.204  -2.622   4.726
  216    HA   VAL  27           HA       VAL  27   6.434  -0.085   3.954
  217    HB   VAL  27           HB       VAL  27   8.245  -0.488   5.557
  218   1HG1  VAL  27          1HG1      VAL  27   9.229  -2.274   3.797
  219   2HG1  VAL  27          2HG1      VAL  27  10.176  -1.563   5.105
  220   3HG1  VAL  27          3HG1      VAL  27  10.288  -0.901   3.475
  221   1HG2  VAL  27          1HG2      VAL  27   8.964   1.200   3.168
  222   2HG2  VAL  27          2HG2      VAL  27   9.850   1.237   4.693
  223   3HG2  VAL  27          3HG2      VAL  27   8.152   1.710   4.648
  224    H    MET  28           H        MET  28   5.650  -0.054   1.929
  225    HA   MET  28           HA       MET  28   6.780  -0.998  -0.415
  226   1HB   MET  28          2HB       MET  28   5.037   1.448  -0.122
  227   2HB   MET  28          1HB       MET  28   5.217   0.439  -1.556
  228   1HG   MET  28          2HG       MET  28   3.372  -0.575  -0.839
  229   2HG   MET  28          1HG       MET  28   4.435  -1.383   0.309
  230   1HE   MET  28          1HE       MET  28   2.259   2.263   0.321
  231   2HE   MET  28          2HE       MET  28   0.983   1.291   1.054
  232   3HE   MET  28          3HE       MET  28   1.700   0.794  -0.479
  233    H    GLU  29           H        GLU  29   7.070   0.819  -2.262
  234    HA   GLU  29           HA       GLU  29   9.489   2.249  -1.462
  235   1HB   GLU  29          2HB       GLU  29   9.222   2.575  -4.192
  236   2HB   GLU  29          1HB       GLU  29  10.248   1.413  -3.397
  237   1HG   GLU  29          2HG       GLU  29   8.133  -0.102  -3.463
  238   2HG   GLU  29          1HG       GLU  29   7.588   1.032  -4.695
  239    H    LYS  30           H        LYS  30   9.833   4.441  -2.371
  240    HA   LYS  30           HA       LYS  30   7.342   5.905  -2.795
  241   1HB   LYS  30          2HB       LYS  30   8.275   7.728  -1.322
  242   2HB   LYS  30          1HB       LYS  30   7.779   6.261  -0.486
  243   1HG   LYS  30          2HG       LYS  30  10.190   5.532  -0.598
  244   2HG   LYS  30          1HG       LYS  30  10.566   7.177  -1.121
  245   1HD   LYS  30          2HD       LYS  30   9.887   8.103   0.920
  246   2HD   LYS  30          1HD       LYS  30   8.986   6.655   1.377
  247   1HE   LYS  30          2HE       LYS  30  11.977   6.703   1.047
  248   2HE   LYS  30          1HE       LYS  30  11.173   7.019   2.584
  249   1HZ   LYS  30          1HZ       LYS  30  11.955   4.613   1.872
  250   2HZ   LYS  30          2HZ       LYS  30  10.421   4.585   1.160
  251   3HZ   LYS  30          3HZ       LYS  30  10.577   4.862   2.821
  252    H    CYS  31           H        CYS  31   7.717   6.331  -4.920
  253    HA   CYS  31           HA       CYS  31  10.199   7.751  -5.587
  254   1HB   CYS  31          2HB       CYS  31   9.947   5.815  -6.962
  255   2HB   CYS  31          1HB       CYS  31   8.271   6.203  -7.325
  256    HG   CYS  31           HG       CYS  31  10.330   6.864  -9.148
  257    H    SER  32           H        SER  32  10.015   9.603  -7.058
  258    HA   SER  32           HA       SER  32   8.165  11.499  -6.204
  259   1HB   SER  32          2HB       SER  32  10.420  11.765  -7.505
  260   2HB   SER  32          1HB       SER  32   9.392  11.690  -8.935
  261    HG   SER  32           HG       SER  32   8.147  13.415  -7.868
  262    H    ASP  33           H        ASP  33   8.128   9.464  -9.105
  263    HA   ASP  33           HA       ASP  33   5.708  10.570 -10.129
  264   1HB   ASP  33          2HB       ASP  33   7.166   8.002 -10.778
  265   2HB   ASP  33          1HB       ASP  33   5.761   8.595 -11.665
  266    H    GLY  34           H        GLY  34   3.784   9.130 -10.576
  267   1HA   GLY  34          2HA       GLY  34   2.830   8.119  -8.056
  268   2HA   GLY  34          1HA       GLY  34   1.899   8.275  -9.540
  269    H    TRP  35           H        TRP  35   4.164   6.739 -10.924
  270    HA   TRP  35           HA       TRP  35   2.982   4.133 -10.512
  271   1HB   TRP  35          2HB       TRP  35   5.362   4.319 -12.250
  272   2HB   TRP  35          1HB       TRP  35   3.794   3.584 -12.561
  273    HD1  TRP  35           HD       TRP  35   1.901   6.067 -12.431
  274    HE1  TRP  35           1HE      TRP  35   2.054   7.926 -14.205
  275    HE3  TRP  35           3HE      TRP  35   6.667   5.225 -14.080
  276    HZ2  TRP  35           2HZ      TRP  35   3.945   8.906 -16.058
  277    HZ3  TRP  35           3HZ      TRP  35   7.573   6.668 -15.856
  278    HH2  TRP  35           HH       TRP  35   6.239   8.470 -16.823
  279    H    TRP  36           H        TRP  36   3.616   3.092  -8.719
  280    HA   TRP  36           HA       TRP  36   6.331   2.238  -8.481
  281   1HB   TRP  36          2HB       TRP  36   5.698   4.614  -7.217
  282   2HB   TRP  36          1HB       TRP  36   5.567   3.416  -5.936
  283    HD1  TRP  36           HD       TRP  36   7.655   4.318  -4.699
  284    HE1  TRP  36           1HE      TRP  36  10.189   4.128  -5.113
  285    HE3  TRP  36           3HE      TRP  36   7.572   2.716  -9.560
  286    HZ2  TRP  36           2HZ      TRP  36  11.915   3.391  -7.212
  287    HZ3  TRP  36           3HZ      TRP  36   9.709   2.292 -10.691
  288    HH2  TRP  36           HH       TRP  36  11.836   2.622  -9.542
  289    H    ARG  37           H        ARG  37   6.439   0.267  -7.530
  290    HA   ARG  37           HA       ARG  37   3.950  -0.664  -6.290
  291   1HB   ARG  37          2HB       ARG  37   5.809  -1.913  -8.197
  292   2HB   ARG  37          1HB       ARG  37   5.173  -2.975  -6.944
  293   1HG   ARG  37          2HG       ARG  37   2.923  -1.695  -7.725
  294   2HG   ARG  37          1HG       ARG  37   3.825  -1.749  -9.242
  295   1HD   ARG  37          2HD       ARG  37   3.918  -4.094  -9.214
  296   2HD   ARG  37          1HD       ARG  37   3.467  -4.181  -7.516
  297    HE   ARG  37           HE       ARG  37   1.302  -3.047  -8.632
  298   1HH1  ARG  37          1HH1      ARG  37   3.151  -5.882  -9.491
  299   2HH1  ARG  37          2HH1      ARG  37   1.790  -6.721 -10.155
  300   1HH2  ARG  37          1HH2      ARG  37  -0.490  -4.156  -9.498
  301   2HH2  ARG  37          2HH2      ARG  37  -0.276  -5.741 -10.162
  302    H    GLY  38           H        GLY  38   3.850  -1.387  -4.364
  303   1HA   GLY  38          2HA       GLY  38   6.325  -1.668  -2.791
  304   2HA   GLY  38          1HA       GLY  38   4.724  -1.338  -2.139
  305    H    SER  39           H        SER  39   5.195  -3.144  -0.660
  306    HA   SER  39           HA       SER  39   4.442  -5.671  -1.936
  307   1HB   SER  39          2HB       SER  39   6.105  -6.400   0.207
  308   2HB   SER  39          1HB       SER  39   6.448  -6.568  -1.516
  309    HG   SER  39           HG       SER  39   7.933  -5.125  -1.237
  310    H    TYR  40           H        TYR  40   3.388  -7.177  -0.645
  311    HA   TYR  40           HA       TYR  40   2.320  -6.182   1.909
  312   1HB   TYR  40          2HB       TYR  40   0.818  -7.287  -0.451
  313   2HB   TYR  40          1HB       TYR  40   0.145  -7.347   1.170
  314    HD1  TYR  40           1HD      TYR  40   1.749  -4.854  -1.114
  315    HD2  TYR  40           2HD      TYR  40  -1.307  -5.650   1.737
  316    HE1  TYR  40           1HE      TYR  40   0.871  -2.580  -1.428
  317    HE2  TYR  40           2HE      TYR  40  -2.193  -3.378   1.430
  318    HH   TYR  40           HH       TYR  40  -1.481  -1.214   0.656
  319    H    ASN  41           H        ASN  41   1.932  -7.790   3.459
  320    HA   ASN  41           HA       ASN  41   3.516 -10.104   3.309
  321   1HB   ASN  41          2HB       ASN  41   2.082 -10.834   5.334
  322   2HB   ASN  41          1HB       ASN  41   3.060  -9.374   5.488
  323   1HD2  ASN  41          1HD2      ASN  41   2.072  -7.401   5.650
  324   2HD2  ASN  41          2HD2      ASN  41   0.372  -7.214   5.899
  325    H    GLY  42           H        GLY  42   2.961 -11.162   1.372
  326   1HA   GLY  42          2HA       GLY  42   1.771 -13.394   1.133
  327   2HA   GLY  42          1HA       GLY  42   0.318 -12.430   1.340
  328    H    GLN  43           H        GLN  43   1.763 -10.233  -0.233
  329    HA   GLN  43           HA       GLN  43   2.177 -11.232  -2.850
  330   1HB   GLN  43          2HB       GLN  43   0.149 -10.199  -3.894
  331   2HB   GLN  43          1HB       GLN  43  -0.185 -11.619  -2.905
  332   1HG   GLN  43          2HG       GLN  43  -0.456  -9.586  -1.101
  333   2HG   GLN  43          1HG       GLN  43  -1.065  -8.854  -2.589
  334   1HE2  GLN  43          1HE2      GLN  43  -1.855 -10.666   0.058
  335   2HE2  GLN  43          2HE2      GLN  43  -3.334 -11.364  -0.512
  336    H    ILE  44           H        ILE  44   2.309  -9.441  -4.474
  337    HA   ILE  44           HA       ILE  44   3.147  -6.938  -3.180
  338    HB   ILE  44           HB       ILE  44   4.404  -8.604  -5.305
  339   1HG1  ILE  44          2HG1      ILE  44   6.429  -7.997  -4.085
  340   2HG1  ILE  44          1HG1      ILE  44   5.502  -6.849  -3.120
  341   1HG2  ILE  44          1HG2      ILE  44   5.757  -6.695  -6.089
  342   2HG2  ILE  44          2HG2      ILE  44   4.712  -5.607  -5.180
  343   3HG2  ILE  44          3HG2      ILE  44   4.054  -6.542  -6.521
  344   1HD1  ILE  44          1HD1      ILE  44   4.507  -8.485  -1.865
  345   2HD1  ILE  44          2HD1      ILE  44   6.094  -9.198  -2.168
  346   3HD1  ILE  44          3HD1      ILE  44   4.700  -9.712  -3.118
  347    H    GLY  45           H        GLY  45   2.977  -4.978  -4.521
  348   1HA   GLY  45          2HA       GLY  45   1.493  -4.959  -6.938
  349   2HA   GLY  45          1HA       GLY  45   0.415  -4.648  -5.587
  350    H    TRP  46           H        TRP  46  -0.039  -2.575  -6.351
  351    HA   TRP  46           HA       TRP  46   2.132  -0.631  -6.461
  352   1HB   TRP  46          2HB       TRP  46   0.510  -0.627  -8.307
  353   2HB   TRP  46          1HB       TRP  46  -0.802  -0.366  -7.158
  354    HD1  TRP  46           HD       TRP  46   2.358   1.424  -8.442
  355    HE1  TRP  46           1HE      TRP  46   1.987   3.970  -8.254
  356    HE3  TRP  46           3HE      TRP  46  -2.215   1.394  -6.176
  357    HZ2  TRP  46           2HZ      TRP  46  -0.009   5.726  -7.292
  358    HZ3  TRP  46           3HZ      TRP  46  -3.293   3.545  -5.659
  359    HH2  TRP  46           HH       TRP  46  -2.211   5.665  -6.206
  360    H    PHE  47           H        PHE  47   2.505   0.807  -4.903
  361    HA   PHE  47           HA       PHE  47   1.275   0.577  -2.401
  362   1HB   PHE  47          2HB       PHE  47   2.732   2.212  -1.652
  363   2HB   PHE  47          1HB       PHE  47   3.590   1.552  -3.040
  364    HD1  PHE  47           1HD      PHE  47   3.020   4.458  -1.414
  365    HD2  PHE  47           2HD      PHE  47   2.665   2.845  -5.335
  366    HE1  PHE  47           1HE      PHE  47   3.206   6.722  -2.357
  367    HE2  PHE  47           2HE      PHE  47   2.852   5.107  -6.286
  368    HZ   PHE  47           HZ       PHE  47   3.123   7.049  -4.796
  369    HA   PRO  48           HA       PRO  48  -2.257   3.209  -3.282
  370   1HB   PRO  48          2HB       PRO  48  -3.884   2.187  -1.441
  371   2HB   PRO  48          1HB       PRO  48  -3.448   1.249  -2.874
  372   1HG   PRO  48          2HG       PRO  48  -2.467   1.002  -0.073
  373   2HG   PRO  48          1HG       PRO  48  -2.742  -0.262  -1.283
  374   1HD   PRO  48          2HD       PRO  48  -0.276   0.930  -0.625
  375   2HD   PRO  48          1HD       PRO  48  -0.603  -0.117  -2.018
  376    H    SER  49           H        SER  49  -0.146   4.384  -1.936
  377    HA   SER  49           HA       SER  49  -0.174   5.157   0.612
  378   1HB   SER  49          2HB       SER  49   0.761   6.289  -1.818
  379   2HB   SER  49          1HB       SER  49   0.091   7.589  -0.829
  380    HG   SER  49           HG       SER  49   1.428   6.830   0.888
  381    H    ASN  50           H        ASN  50  -2.692   6.011  -1.654
  382    HA   ASN  50           HA       ASN  50  -3.849   8.233  -0.678
  383   1HB   ASN  50          2HB       ASN  50  -4.835   5.784  -1.945
  384   2HB   ASN  50          1HB       ASN  50  -6.060   6.713  -1.088
  385   1HD2  ASN  50          1HD2      ASN  50  -6.484   8.832  -1.734
  386   2HD2  ASN  50          2HD2      ASN  50  -6.074   9.382  -3.315
  387    H    TYR  51           H        TYR  51  -3.694   5.147   0.926
  388    HA   TYR  51           HA       TYR  51  -4.548   6.379   3.377
  389   1HB   TYR  51          2HB       TYR  51  -6.135   4.024   2.328
  390   2HB   TYR  51          1HB       TYR  51  -6.386   4.868   3.855
  391    HD1  TYR  51           1HD      TYR  51  -7.089   4.826   0.311
  392    HD2  TYR  51           2HD      TYR  51  -7.239   7.221   3.824
  393    HE1  TYR  51           1HE      TYR  51  -8.673   6.345  -0.799
  394    HE2  TYR  51           2HE      TYR  51  -8.824   8.746   2.726
  395    HH   TYR  51           HH       TYR  51 -10.354   7.980  -0.244
  396    H    VAL  52           H        VAL  52  -2.162   5.694   3.241
  397    HA   VAL  52           HA       VAL  52  -1.949   3.130   4.615
  398    HB   VAL  52           HB       VAL  52  -0.320   2.228   3.293
  399   1HG1  VAL  52          1HG1      VAL  52  -2.258   2.358   1.900
  400   2HG1  VAL  52          2HG1      VAL  52  -0.840   2.670   0.897
  401   3HG1  VAL  52          3HG1      VAL  52  -1.861   4.008   1.423
  402   1HG2  VAL  52          1HG2      VAL  52   0.994   3.750   1.631
  403   2HG2  VAL  52          2HG2      VAL  52   1.434   3.737   3.338
  404   3HG2  VAL  52          3HG2      VAL  52   0.455   5.054   2.690
  405    H    LEU  53           H        LEU  53   0.136   2.879   5.794
  406    HA   LEU  53           HA       LEU  53   1.259   5.473   6.597
  407   1HB   LEU  53          2HB       LEU  53  -0.166   3.538   8.153
  408   2HB   LEU  53          1HB       LEU  53   1.482   3.632   8.729
  409    HG   LEU  53           HG       LEU  53   0.569   5.217  10.069
  410   1HD1  LEU  53          1HD1      LEU  53   1.305   7.274   9.446
  411   2HD1  LEU  53          2HD1      LEU  53   0.592   7.167   7.836
  412   3HD1  LEU  53          3HD1      LEU  53   2.093   6.312   8.194
  413   1HD2  LEU  53          1HD2      LEU  53  -1.669   4.727   8.785
  414   2HD2  LEU  53          2HD2      LEU  53  -1.346   6.313   8.080
  415   3HD2  LEU  53          3HD2      LEU  53  -1.502   6.140   9.829
  416    H    GLU  54           H        GLU  54   3.359   5.504   6.043
  417    HA   GLU  54           HA       GLU  54   4.823   2.964   5.969
  418   1HB   GLU  54          2HB       GLU  54   4.701   4.246   3.865
  419   2HB   GLU  54          1HB       GLU  54   5.525   5.587   4.651
  420   1HG   GLU  54          2HG       GLU  54   7.103   3.315   5.093
  421   2HG   GLU  54          1HG       GLU  54   6.611   3.262   3.400
  422    H    GLU  55           H        GLU  55   6.376   2.569   7.394
  423    HA   GLU  55           HA       GLU  55   7.367   4.795   9.019
  424   1HB   GLU  55          2HB       GLU  55   7.520   1.895   9.780
  425   2HB   GLU  55          1HB       GLU  55   7.640   3.301  10.829
  426   1HG   GLU  55          2HG       GLU  55   5.152   3.551   9.705
  427   2HG   GLU  55          1HG       GLU  55   5.325   1.816   9.943
  428    H    VAL  56           H        VAL  56   9.361   5.426   8.503
  429    HA   VAL  56           HA       VAL  56  11.106   3.743   6.967
  430    HB   VAL  56           HB       VAL  56  11.750   6.431   8.174
  431   1HG1  VAL  56          1HG1      VAL  56  13.102   4.592   6.310
  432   2HG1  VAL  56          2HG1      VAL  56  13.777   5.791   7.414
  433   3HG1  VAL  56          3HG1      VAL  56  13.118   6.297   5.858
  434   1HG2  VAL  56          1HG2      VAL  56  10.724   5.941   5.390
  435   2HG2  VAL  56          2HG2      VAL  56  10.940   7.482   6.219
  436   3HG2  VAL  56          3HG2      VAL  56   9.668   6.374   6.734
  437    H    ASP  57           H        ASP  57  11.388   2.023   8.521
  438    HA   ASP  57           HA       ASP  57  12.570   2.450  11.056
  439   1HB   ASP  57          2HB       ASP  57  11.294   0.394  10.326
  440   2HB   ASP  57          1HB       ASP  57  12.725  -0.081   9.417
  Start of MODEL    8
    1   1H    ILE   1          1HT       ILE   1  11.062  -1.205   8.423
    2   2H    ILE   1          2HT       ILE   1  10.477  -2.813   8.541
    3   3H    ILE   1          3HT       ILE   1  11.321  -2.106   9.858
    4    HA   ILE   1           HA       ILE   1   9.152  -2.006  10.487
    5    HB   ILE   1           HB       ILE   1   9.511   0.657   9.124
    6   1HG1  ILE   1          2HG1      ILE   1  10.735  -0.162  11.765
    7   2HG1  ILE   1          1HG1      ILE   1  11.630  -0.145  10.247
    8   1HG2  ILE   1          1HG2      ILE   1   8.359   1.518  11.077
    9   2HG2  ILE   1          2HG2      ILE   1   8.304  -0.097  11.783
   10   3HG2  ILE   1          3HG2      ILE   1   7.398   0.253  10.310
   11   1HD1  ILE   1          1HD1      ILE   1  10.901   2.310  10.090
   12   2HD1  ILE   1          2HD1      ILE   1  12.169   1.878  11.236
   13   3HD1  ILE   1          3HD1      ILE   1  10.522   2.154  11.804
   14    HA   PRO   2           HA       PRO   2   6.211  -2.553   7.189
   15   1HB   PRO   2          2HB       PRO   2   4.053  -3.099   8.665
   16   2HB   PRO   2          1HB       PRO   2   5.424  -4.214   8.604
   17   1HG   PRO   2          2HG       PRO   2   4.638  -2.289  10.740
   18   2HG   PRO   2          1HG       PRO   2   5.347  -3.905  10.888
   19   1HD   PRO   2          2HD       PRO   2   6.733  -1.479  11.056
   20   2HD   PRO   2          1HD       PRO   2   7.460  -3.077  10.817
   21    H    ALA   3           H        ALA   3   3.614  -1.886   7.153
   22    HA   ALA   3           HA       ALA   3   3.575   1.007   7.607
   23   1HB   ALA   3          1HB       ALA   3   3.575   1.053   5.345
   24   2HB   ALA   3          2HB       ALA   3   1.846   0.797   5.580
   25   3HB   ALA   3          3HB       ALA   3   2.895  -0.569   5.205
   26    H    PHE   4           H        PHE   4   1.434   1.952   7.946
   27    HA   PHE   4           HA       PHE   4  -0.357   0.080   9.285
   28   1HB   PHE   4          2HB       PHE   4   0.338   2.921   9.812
   29   2HB   PHE   4          1HB       PHE   4  -1.182   2.265  10.407
   30    HD1  PHE   4           1HD      PHE   4   2.344   1.037  10.240
   31    HD2  PHE   4           2HD      PHE   4  -1.088   1.784  12.641
   32    HE1  PHE   4           1HE      PHE   4   3.526   0.138  12.200
   33    HE2  PHE   4           2HE      PHE   4   0.086   0.887  14.607
   34    HZ   PHE   4           HZ       PHE   4   2.397   0.063  14.389
   35    H    VAL   5           H        VAL   5  -2.166  -0.382   8.217
   36    HA   VAL   5           HA       VAL   5  -3.126   1.382   6.129
   37    HB   VAL   5           HB       VAL   5  -4.347  -1.199   7.106
   38   1HG1  VAL   5          1HG1      VAL   5  -4.783   0.514   4.678
   39   2HG1  VAL   5          2HG1      VAL   5  -5.969  -0.038   5.862
   40   3HG1  VAL   5          3HG1      VAL   5  -5.255  -1.185   4.728
   41   1HG2  VAL   5          1HG2      VAL   5  -2.862  -1.189   4.572
   42   2HG2  VAL   5          2HG2      VAL   5  -2.916  -2.400   5.853
   43   3HG2  VAL   5          3HG2      VAL   5  -1.870  -0.989   6.017
   44    H    LYS   6           H        LYS   6  -5.252   2.266   6.052
   45    HA   LYS   6           HA       LYS   6  -6.379   2.735   8.728
   46   1HB   LYS   6          2HB       LYS   6  -6.841   4.523   6.363
   47   2HB   LYS   6          1HB       LYS   6  -7.044   4.893   8.068
   48   1HG   LYS   6          2HG       LYS   6  -4.831   5.311   8.387
   49   2HG   LYS   6          1HG       LYS   6  -4.321   4.178   7.134
   50   1HD   LYS   6          2HD       LYS   6  -3.835   6.270   6.223
   51   2HD   LYS   6          1HD       LYS   6  -5.380   5.843   5.486
   52   1HE   LYS   6          2HE       LYS   6  -6.562   7.358   6.785
   53   2HE   LYS   6          1HE       LYS   6  -5.306   7.431   8.019
   54   1HZ   LYS   6          1HZ       LYS   6  -4.156   8.981   6.882
   55   2HZ   LYS   6          2HZ       LYS   6  -5.665   9.321   6.197
   56   3HZ   LYS   6          3HZ       LYS   6  -4.557   8.351   5.364
   57    H    PHE   7           H        PHE   7  -7.341   2.378   5.343
   58    HA   PHE   7           HA       PHE   7  -9.799   1.102   6.241
   59   1HB   PHE   7          2HB       PHE   7  -9.728   3.715   5.232
   60   2HB   PHE   7          1HB       PHE   7 -10.348   2.713   3.923
   61    HD1  PHE   7           1HD      PHE   7 -10.809   2.511   7.616
   62    HD2  PHE   7           2HD      PHE   7 -12.623   3.034   3.802
   63    HE1  PHE   7           1HE      PHE   7 -13.028   2.504   8.674
   64    HE2  PHE   7           2HE      PHE   7 -14.846   3.028   4.853
   65    HZ   PHE   7           HZ       PHE   7 -15.051   2.763   7.294
   66    H    ALA   8           H        ALA   8 -10.868  -0.189   4.620
   67    HA   ALA   8           HA       ALA   8  -8.962  -1.312   2.722
   68   1HB   ALA   8          1HB       ALA   8 -11.030  -3.047   2.672
   69   2HB   ALA   8          2HB       ALA   8 -11.192  -2.394   4.302
   70   3HB   ALA   8          3HB       ALA   8  -9.682  -3.154   3.802
   71    H    TYR   9           H        TYR   9  -9.431  -1.574   0.545
   72    HA   TYR   9           HA       TYR   9 -11.971  -0.481  -0.436
   73   1HB   TYR   9          2HB       TYR   9 -10.004   1.196  -0.546
   74   2HB   TYR   9          1HB       TYR   9  -9.394   0.171  -1.845
   75    HD1  TYR   9           1HD      TYR   9  -9.807   1.035  -3.934
   76    HD2  TYR   9           2HD      TYR   9 -12.744   1.553  -0.901
   77    HE1  TYR   9           1HE      TYR   9 -11.255   2.200  -5.544
   78    HE2  TYR   9           2HE      TYR   9 -14.200   2.718  -2.500
   79    HH   TYR   9           HH       TYR   9 -13.094   3.739  -5.588
   80    H    VAL  10           H        VAL  10 -12.844  -1.591  -2.105
   81    HA   VAL  10           HA       VAL  10 -11.515  -4.035  -2.896
   82    HB   VAL  10           HB       VAL  10 -13.699  -4.486  -4.095
   83   1HG1  VAL  10          1HG1      VAL  10 -13.026  -5.227  -1.743
   84   2HG1  VAL  10          2HG1      VAL  10 -14.740  -5.277  -2.153
   85   3HG1  VAL  10          3HG1      VAL  10 -14.106  -3.957  -1.169
   86   1HG2  VAL  10          1HG2      VAL  10 -14.128  -1.798  -3.712
   87   2HG2  VAL  10          2HG2      VAL  10 -15.140  -2.539  -2.471
   88   3HG2  VAL  10          3HG2      VAL  10 -15.354  -2.984  -4.164
   89    H    ALA  11           H        ALA  11 -10.107  -3.889  -4.527
   90    HA   ALA  11           HA       ALA  11 -10.906  -3.253  -7.140
   91   1HB   ALA  11          1HB       ALA  11 -10.853  -0.943  -6.232
   92   2HB   ALA  11          2HB       ALA  11  -9.740  -1.201  -7.575
   93   3HB   ALA  11          3HB       ALA  11  -9.128  -1.149  -5.923
   94    H    GLU  12           H        GLU  12  -9.806  -4.894  -8.035
   95    HA   GLU  12           HA       GLU  12  -6.897  -4.960  -7.586
   96   1HB   GLU  12          2HB       GLU  12  -7.036  -7.451  -7.885
   97   2HB   GLU  12          1HB       GLU  12  -7.752  -6.841  -6.400
   98   1HG   GLU  12          2HG       GLU  12  -9.565  -8.001  -6.912
   99   2HG   GLU  12          1HG       GLU  12  -9.848  -6.846  -8.213
  100    H    ARG  13           H        ARG  13  -5.868  -4.506  -9.365
  101    HA   ARG  13           HA       ARG  13  -6.478  -5.785 -11.859
  102   1HB   ARG  13          2HB       ARG  13  -7.910  -4.078 -12.402
  103   2HB   ARG  13          1HB       ARG  13  -7.103  -2.926 -11.350
  104   1HG   ARG  13          2HG       ARG  13  -5.451  -3.691 -13.623
  105   2HG   ARG  13          1HG       ARG  13  -6.996  -2.997 -14.104
  106   1HD   ARG  13          2HD       ARG  13  -5.812  -1.532 -11.926
  107   2HD   ARG  13          1HD       ARG  13  -4.709  -1.633 -13.296
  108    HE   ARG  13           HE       ARG  13  -7.390  -0.875 -14.012
  109   1HH1  ARG  13          1HH1      ARG  13  -4.276   0.283 -12.941
  110   2HH1  ARG  13          2HH1      ARG  13  -4.512   1.877 -13.572
  111   1HH2  ARG  13          1HH2      ARG  13  -7.701   1.221 -14.842
  112   2HH2  ARG  13          2HH2      ARG  13  -6.458   2.411 -14.650
  113    H    GLU  14           H        GLU  14  -4.718  -5.378 -13.469
  114    HA   GLU  14           HA       GLU  14  -2.189  -5.538 -12.317
  115   1HB   GLU  14          2HB       GLU  14  -1.295  -5.128 -14.565
  116   2HB   GLU  14          1HB       GLU  14  -2.650  -6.247 -14.626
  117   1HG   GLU  14          2HG       GLU  14  -4.065  -4.155 -15.136
  118   2HG   GLU  14          1HG       GLU  14  -2.520  -3.396 -15.514
  119    H    ASP  15           H        ASP  15  -1.421  -4.022 -10.997
  120    HA   ASP  15           HA       ASP  15  -0.229  -2.038 -10.619
  121   1HB   ASP  15          2HB       ASP  15  -0.897  -1.478 -13.171
  122   2HB   ASP  15          1HB       ASP  15  -1.961  -0.345 -12.337
  123    H    GLU  16           H        GLU  16  -3.299  -2.994 -10.155
  124    HA   GLU  16           HA       GLU  16  -3.874  -0.831  -8.270
  125   1HB   GLU  16          2HB       GLU  16  -5.525  -0.496  -9.900
  126   2HB   GLU  16          1HB       GLU  16  -5.664  -2.212 -10.237
  127   1HG   GLU  16          2HG       GLU  16  -7.305  -2.456  -8.794
  128   2HG   GLU  16          1HG       GLU  16  -6.400  -1.630  -7.527
  129    H    LEU  17           H        LEU  17  -4.146  -1.521  -6.240
  130    HA   LEU  17           HA       LEU  17  -4.697  -4.382  -5.792
  131   1HB   LEU  17          2HB       LEU  17  -3.178  -4.343  -3.895
  132   2HB   LEU  17          1HB       LEU  17  -2.338  -3.883  -5.370
  133    HG   LEU  17           HG       LEU  17  -3.442  -1.781  -3.554
  134   1HD1  LEU  17          1HD1      LEU  17  -2.166  -2.822  -1.951
  135   2HD1  LEU  17          2HD1      LEU  17  -0.966  -1.766  -2.696
  136   3HD1  LEU  17          3HD1      LEU  17  -1.028  -3.473  -3.128
  137   1HD2  LEU  17          1HD2      LEU  17  -1.534  -1.957  -5.801
  138   2HD2  LEU  17          2HD2      LEU  17  -1.185  -0.787  -4.530
  139   3HD2  LEU  17          3HD2      LEU  17  -2.709  -0.704  -5.404
  140    H    SER  18           H        SER  18  -6.067  -4.893  -4.115
  141    HA   SER  18           HA       SER  18  -7.836  -2.839  -3.231
  142   1HB   SER  18          2HB       SER  18  -9.214  -4.536  -2.579
  143   2HB   SER  18          1HB       SER  18  -8.142  -5.498  -3.600
  144    HG   SER  18           HG       SER  18  -8.579  -5.710  -0.972
  145    H    LEU  19           H        LEU  19  -8.132  -2.047  -1.115
  146    HA   LEU  19           HA       LEU  19  -5.692  -2.125   0.484
  147   1HB   LEU  19          2HB       LEU  19  -8.016  -0.370   1.147
  148   2HB   LEU  19          1HB       LEU  19  -6.298  -0.087   1.390
  149    HG   LEU  19           HG       LEU  19  -7.641  -0.086  -1.307
  150   1HD1  LEU  19          1HD1      LEU  19  -8.349   1.737   0.343
  151   2HD1  LEU  19          2HD1      LEU  19  -7.751   2.248  -1.235
  152   3HD1  LEU  19          3HD1      LEU  19  -6.701   2.342   0.179
  153   1HD2  LEU  19          1HD2      LEU  19  -5.151  -0.602  -1.085
  154   2HD2  LEU  19          2HD2      LEU  19  -4.977   1.079  -0.584
  155   3HD2  LEU  19          3HD2      LEU  19  -5.621   0.698  -2.180
  156    H    VAL  20           H        VAL  20  -5.680  -2.465   2.707
  157    HA   VAL  20           HA       VAL  20  -7.704  -4.365   3.617
  158    HB   VAL  20           HB       VAL  20  -5.516  -3.771   5.472
  159   1HG1  VAL  20          1HG1      VAL  20  -6.901  -5.643   5.892
  160   2HG1  VAL  20          2HG1      VAL  20  -5.348  -6.293   5.365
  161   3HG1  VAL  20          3HG1      VAL  20  -6.711  -6.249   4.246
  162   1HG2  VAL  20          1HG2      VAL  20  -4.086  -3.480   3.646
  163   2HG2  VAL  20          2HG2      VAL  20  -4.915  -4.698   2.679
  164   3HG2  VAL  20          3HG2      VAL  20  -3.909  -5.189   4.041
  165    H    LYS  21           H        LYS  21  -8.356  -4.258   5.943
  166    HA   LYS  21           HA       LYS  21  -8.830  -1.458   6.686
  167   1HB   LYS  21          2HB       LYS  21 -10.906  -1.978   7.537
  168   2HB   LYS  21          1HB       LYS  21 -10.814  -2.995   6.110
  169   1HG   LYS  21          2HG       LYS  21 -10.423  -3.861   8.969
  170   2HG   LYS  21          1HG       LYS  21 -11.805  -4.213   7.935
  171   1HD   LYS  21          2HD       LYS  21  -8.973  -5.139   7.450
  172   2HD   LYS  21          1HD       LYS  21 -10.277  -6.127   8.108
  173   1HE   LYS  21          2HE       LYS  21 -11.181  -4.915   5.692
  174   2HE   LYS  21          1HE       LYS  21  -9.615  -5.665   5.392
  175   1HZ   LYS  21          1HZ       LYS  21 -12.147  -6.912   6.194
  176   2HZ   LYS  21          2HZ       LYS  21 -10.698  -7.638   6.676
  177   3HZ   LYS  21          3HZ       LYS  21 -11.023  -7.410   5.033
  178    H    GLY  22           H        GLY  22  -7.397  -0.873   8.100
  179   1HA   GLY  22          2HA       GLY  22  -6.329  -0.692  10.129
  180   2HA   GLY  22          1HA       GLY  22  -7.401  -1.944  10.727
  181    H    SER  23           H        SER  23  -5.558  -2.739   7.946
  182    HA   SER  23           HA       SER  23  -3.945  -4.537   9.567
  183   1HB   SER  23          2HB       SER  23  -5.288  -4.832   7.108
  184   2HB   SER  23          1HB       SER  23  -3.562  -4.941   6.760
  185    HG   SER  23           HG       SER  23  -3.538  -6.468   8.607
  186    H    ARG  24           H        ARG  24  -1.733  -5.024   8.258
  187    HA   ARG  24           HA       ARG  24  -0.453  -2.407   7.866
  188   1HB   ARG  24          2HB       ARG  24   0.760  -4.847   9.106
  189   2HB   ARG  24          1HB       ARG  24   1.584  -3.323   8.849
  190   1HG   ARG  24          2HG       ARG  24  -0.901  -3.058  10.348
  191   2HG   ARG  24          1HG       ARG  24   0.297  -4.087  11.142
  192   1HD   ARG  24          2HD       ARG  24   1.846  -2.013  10.329
  193   2HD   ARG  24          1HD       ARG  24   0.319  -1.188  10.639
  194    HE   ARG  24           HE       ARG  24   2.128  -2.143  12.579
  195   1HH1  ARG  24          1HH1      ARG  24  -1.295  -1.924  11.939
  196   2HH1  ARG  24          2HH1      ARG  24  -1.735  -1.910  13.613
  197   1HH2  ARG  24          1HH2      ARG  24   1.552  -2.126  14.783
  198   2HH2  ARG  24          2HH2      ARG  24  -0.119  -2.024  15.228
  199    H    VAL  25           H        VAL  25   1.167  -2.230   6.335
  200    HA   VAL  25           HA       VAL  25   1.329  -4.444   4.394
  201    HB   VAL  25           HB       VAL  25   1.610  -1.543   3.644
  202   1HG1  VAL  25          1HG1      VAL  25   2.378  -2.683   1.839
  203   2HG1  VAL  25          2HG1      VAL  25   0.655  -2.757   1.468
  204   3HG1  VAL  25          3HG1      VAL  25   1.456  -4.136   2.224
  205   1HG2  VAL  25          1HG2      VAL  25  -0.556  -1.344   4.263
  206   2HG2  VAL  25          2HG2      VAL  25  -0.847  -3.082   4.198
  207   3HG2  VAL  25          3HG2      VAL  25  -0.838  -2.133   2.711
  208    H    THR  26           H        THR  26   3.333  -4.294   2.971
  209    HA   THR  26           HA       THR  26   5.617  -3.999   4.699
  210    HB   THR  26           HB       THR  26   6.863  -5.096   3.049
  211    HG1  THR  26           1HG      THR  26   5.077  -3.855   1.361
  212   1HG2  THR  26          1HG2      THR  26   5.771  -6.996   3.310
  213   2HG2  THR  26          2HG2      THR  26   4.752  -6.560   1.939
  214   3HG2  THR  26          3HG2      THR  26   4.254  -6.138   3.578
  215    H    VAL  27           H        VAL  27   7.218  -2.476   4.595
  216    HA   VAL  27           HA       VAL  27   6.583   0.089   3.806
  217    HB   VAL  27           HB       VAL  27   8.358  -0.402   5.408
  218   1HG1  VAL  27          1HG1      VAL  27  10.341  -1.451   4.920
  219   2HG1  VAL  27          2HG1      VAL  27  10.266  -1.035   3.208
  220   3HG1  VAL  27          3HG1      VAL  27   9.236  -2.314   3.851
  221   1HG2  VAL  27          1HG2      VAL  27   9.916   1.037   3.368
  222   2HG2  VAL  27          2HG2      VAL  27   9.453   1.523   4.999
  223   3HG2  VAL  27          3HG2      VAL  27   8.298   1.668   3.674
  224    H    MET  28           H        MET  28   5.876   0.345   1.800
  225    HA   MET  28           HA       MET  28   6.787  -0.680  -0.579
  226   1HB   MET  28          2HB       MET  28   5.863   1.596  -1.518
  227   2HB   MET  28          1HB       MET  28   4.774   0.405  -0.816
  228   1HG   MET  28          2HG       MET  28   5.755   2.122   1.232
  229   2HG   MET  28          1HG       MET  28   5.136   3.099  -0.094
  230   1HE   MET  28          1HE       MET  28   2.590  -0.398   0.803
  231   2HE   MET  28          2HE       MET  28   3.384  -0.097   2.348
  232   3HE   MET  28          3HE       MET  28   4.348  -0.356   0.898
  233    H    GLU  29           H        GLU  29   7.490   1.106  -2.380
  234    HA   GLU  29           HA       GLU  29  10.212   1.819  -1.606
  235   1HB   GLU  29          2HB       GLU  29  10.784   1.360  -3.748
  236   2HB   GLU  29          1HB       GLU  29   9.226   0.573  -3.827
  237   1HG   GLU  29          2HG       GLU  29   8.235   2.606  -4.747
  238   2HG   GLU  29          1HG       GLU  29   9.807   3.394  -4.690
  239    H    LYS  30           H        LYS  30  11.091   3.895  -2.087
  240    HA   LYS  30           HA       LYS  30   9.113   6.005  -1.874
  241   1HB   LYS  30          2HB       LYS  30  11.511   5.620  -0.610
  242   2HB   LYS  30          1HB       LYS  30  11.945   6.775  -1.862
  243   1HG   LYS  30          2HG       LYS  30   9.806   8.029  -1.000
  244   2HG   LYS  30          1HG       LYS  30  10.121   7.092   0.464
  245   1HD   LYS  30          2HD       LYS  30  12.535   8.309  -0.606
  246   2HD   LYS  30          1HD       LYS  30  11.292   9.506  -0.236
  247   1HE   LYS  30          2HE       LYS  30  11.264   7.754   1.931
  248   2HE   LYS  30          1HE       LYS  30  12.972   7.973   1.550
  249   1HZ   LYS  30          1HZ       LYS  30  12.763  10.309   1.797
  250   2HZ   LYS  30          2HZ       LYS  30  12.034   9.610   3.154
  251   3HZ   LYS  30          3HZ       LYS  30  11.075  10.226   1.904
  252    H    CYS  31           H        CYS  31   8.311   6.341  -3.893
  253    HA   CYS  31           HA       CYS  31  10.201   6.837  -6.071
  254   1HB   CYS  31          2HB       CYS  31   8.491   5.318  -6.729
  255   2HB   CYS  31          1HB       CYS  31   7.225   6.326  -6.043
  256    HG   CYS  31           HG       CYS  31   7.114   7.618  -8.134
  257    H    SER  32           H        SER  32  10.275   8.821  -7.147
  258    HA   SER  32           HA       SER  32   9.163  11.047  -5.628
  259   1HB   SER  32          2HB       SER  32  11.583  10.616  -7.057
  260   2HB   SER  32          1HB       SER  32  10.731  11.944  -7.845
  261    HG   SER  32           HG       SER  32  10.479  12.769  -5.596
  262    H    ASP  33           H        ASP  33   9.188   9.822  -8.968
  263    HA   ASP  33           HA       ASP  33   6.632  11.153  -9.401
  264   1HB   ASP  33          2HB       ASP  33   9.145  12.048 -10.573
  265   2HB   ASP  33          1HB       ASP  33   7.934  11.665 -11.798
  266    H    GLY  34           H        GLY  34   5.409   9.405  -9.881
  267   1HA   GLY  34          2HA       GLY  34   5.110   8.198 -12.185
  268   2HA   GLY  34          1HA       GLY  34   6.512   7.325 -11.576
  269    H    TRP  35           H        TRP  35   5.764   5.378 -11.095
  270    HA   TRP  35           HA       TRP  35   3.306   5.184  -9.510
  271   1HB   TRP  35          2HB       TRP  35   4.588   2.744 -10.629
  272   2HB   TRP  35          1HB       TRP  35   2.889   3.146 -10.427
  273    HD1  TRP  35           HD       TRP  35   2.907   5.871 -12.131
  274    HE1  TRP  35           1HE      TRP  35   3.067   5.724 -14.696
  275    HE3  TRP  35           3HE      TRP  35   4.904   1.185 -12.551
  276    HZ2  TRP  35           2HZ      TRP  35   3.927   3.867 -16.640
  277    HZ3  TRP  35           3HZ      TRP  35   5.364   0.297 -14.799
  278    HH2  TRP  35           HH       TRP  35   4.885   1.610 -16.799
  279    H    TRP  36           H        TRP  36   3.329   4.419  -7.481
  280    HA   TRP  36           HA       TRP  36   5.905   4.007  -6.235
  281   1HB   TRP  36          2HB       TRP  36   3.138   4.584  -5.339
  282   2HB   TRP  36          1HB       TRP  36   4.186   3.750  -4.200
  283    HD1  TRP  36           HD       TRP  36   6.581   5.099  -3.681
  284    HE1  TRP  36           1HE      TRP  36   6.939   7.631  -3.366
  285    HE3  TRP  36           3HE      TRP  36   2.351   6.792  -5.973
  286    HZ2  TRP  36           2HZ      TRP  36   5.595  10.031  -4.011
  287    HZ3  TRP  36           3HZ      TRP  36   1.956   9.218  -6.084
  288    HH2  TRP  36           HH       TRP  36   3.545  10.803  -5.123
  289    H    ARG  37           H        ARG  37   6.740   2.092  -5.802
  290    HA   ARG  37           HA       ARG  37   5.111  -0.299  -6.146
  291   1HB   ARG  37          2HB       ARG  37   7.482   0.114  -7.158
  292   2HB   ARG  37          1HB       ARG  37   8.036  -0.368  -5.559
  293   1HG   ARG  37          2HG       ARG  37   7.987  -2.442  -6.366
  294   2HG   ARG  37          1HG       ARG  37   6.245  -2.332  -6.142
  295   1HD   ARG  37          2HD       ARG  37   5.876  -2.407  -8.337
  296   2HD   ARG  37          1HD       ARG  37   7.058  -1.135  -8.643
  297    HE   ARG  37           HE       ARG  37   8.604  -3.301  -8.200
  298   1HH1  ARG  37          1HH1      ARG  37   5.885  -2.719 -10.311
  299   2HH1  ARG  37          2HH1      ARG  37   6.422  -3.839 -11.516
  300   1HH2  ARG  37          1HH2      ARG  37   9.310  -4.775  -9.783
  301   2HH2  ARG  37          2HH2      ARG  37   8.366  -5.008 -11.216
  302    H    GLY  38           H        GLY  38   5.054  -1.951  -4.627
  303   1HA   GLY  38          2HA       GLY  38   6.199  -1.705  -2.024
  304   2HA   GLY  38          1HA       GLY  38   4.499  -1.251  -2.024
  305    H    SER  39           H        SER  39   5.289  -3.357  -0.491
  306    HA   SER  39           HA       SER  39   4.171  -5.632  -1.965
  307   1HB   SER  39          2HB       SER  39   6.456  -5.632   0.001
  308   2HB   SER  39          1HB       SER  39   5.575  -7.100  -0.433
  309    HG   SER  39           HG       SER  39   7.459  -5.705  -1.837
  310    H    TYR  40           H        TYR  40   3.008  -7.190  -0.734
  311    HA   TYR  40           HA       TYR  40   2.149  -6.402   1.930
  312   1HB   TYR  40          2HB       TYR  40   0.511  -5.174   0.785
  313   2HB   TYR  40          1HB       TYR  40   0.369  -6.377  -0.495
  314    HD1  TYR  40           1HD      TYR  40  -1.202  -8.147  -0.336
  315    HD2  TYR  40           2HD      TYR  40  -0.482  -5.652   3.034
  316    HE1  TYR  40           1HE      TYR  40  -3.155  -9.123   0.797
  317    HE2  TYR  40           2HE      TYR  40  -2.433  -6.621   4.175
  318    HH   TYR  40           HH       TYR  40  -4.708  -8.617   2.555
  319    H    ASN  41           H        ASN  41   1.331  -8.102   3.126
  320    HA   ASN  41           HA       ASN  41   2.190 -10.682   2.445
  321   1HB   ASN  41          2HB       ASN  41   0.411 -11.285   4.348
  322   2HB   ASN  41          1HB       ASN  41   1.963 -10.537   4.721
  323   1HD2  ASN  41          1HD2      ASN  41   2.030  -8.347   5.266
  324   2HD2  ASN  41          2HD2      ASN  41   0.620  -7.489   5.776
  325    H    GLY  42           H        GLY  42   1.373 -11.116   0.377
  326   1HA   GLY  42          2HA       GLY  42  -0.566 -12.839  -0.048
  327   2HA   GLY  42          1HA       GLY  42  -1.506 -11.359   0.065
  328    H    GLN  43           H        GLN  43   0.709  -9.805  -1.171
  329    HA   GLN  43           HA       GLN  43   1.222 -10.840  -3.749
  330   1HB   GLN  43          2HB       GLN  43  -0.212  -9.065  -4.946
  331   2HB   GLN  43          1HB       GLN  43  -1.008 -10.522  -4.354
  332   1HG   GLN  43          2HG       GLN  43  -1.589  -9.182  -2.280
  333   2HG   GLN  43          1HG       GLN  43  -1.076  -7.757  -3.189
  334   1HE2  GLN  43          1HE2      GLN  43  -3.560  -9.973  -2.578
  335   2HE2  GLN  43          2HE2      GLN  43  -4.690  -9.400  -3.758
  336    H    ILE  44           H        ILE  44   2.075  -9.133  -5.256
  337    HA   ILE  44           HA       ILE  44   3.201  -6.838  -3.820
  338    HB   ILE  44           HB       ILE  44   4.693  -9.069  -5.093
  339   1HG1  ILE  44          2HG1      ILE  44   6.363  -8.051  -3.309
  340   2HG1  ILE  44          1HG1      ILE  44   4.886  -7.294  -2.708
  341   1HG2  ILE  44          1HG2      ILE  44   6.658  -7.613  -5.510
  342   2HG2  ILE  44          2HG2      ILE  44   5.627  -6.205  -5.259
  343   3HG2  ILE  44          3HG2      ILE  44   5.312  -7.299  -6.606
  344   1HD1  ILE  44          1HD1      ILE  44   5.028 -10.240  -3.206
  345   2HD1  ILE  44          2HD1      ILE  44   3.918  -9.338  -2.173
  346   3HD1  ILE  44          3HD1      ILE  44   5.607  -9.529  -1.700
  347    H    GLY  45           H        GLY  45   3.973  -5.127  -5.212
  348   1HA   GLY  45          2HA       GLY  45   4.112  -4.756  -7.818
  349   2HA   GLY  45          1HA       GLY  45   2.372  -4.962  -7.658
  350    H    TRP  46           H        TRP  46   1.145  -3.292  -6.957
  351    HA   TRP  46           HA       TRP  46   2.535  -0.739  -6.588
  352   1HB   TRP  46          2HB       TRP  46   0.506  -1.265  -8.265
  353   2HB   TRP  46          1HB       TRP  46  -0.430  -0.844  -6.835
  354    HD1  TRP  46           HD       TRP  46   2.784   0.814  -8.244
  355    HE1  TRP  46           1HE      TRP  46   2.318   3.330  -8.508
  356    HE3  TRP  46           3HE      TRP  46  -2.130   0.883  -6.824
  357    HZ2  TRP  46           2HZ      TRP  46   0.153   5.110  -8.164
  358    HZ3  TRP  46           3HZ      TRP  46  -3.325   3.035  -6.820
  359    HH2  TRP  46           HH       TRP  46  -2.205   5.104  -7.476
  360    H    PHE  47           H        PHE  47   2.105   0.620  -4.845
  361    HA   PHE  47           HA       PHE  47   1.371  -0.748  -2.427
  362   1HB   PHE  47          2HB       PHE  47   2.112   1.195  -1.269
  363   2HB   PHE  47          1HB       PHE  47   3.225   0.951  -2.610
  364    HD1  PHE  47           1HD      PHE  47   3.000   3.488  -1.111
  365    HD2  PHE  47           2HD      PHE  47   0.918   2.131  -4.566
  366    HE1  PHE  47           1HE      PHE  47   2.643   5.819  -1.812
  367    HE2  PHE  47           2HE      PHE  47   0.551   4.455  -5.266
  368    HZ   PHE  47           HZ       PHE  47   1.417   6.305  -3.891
  369    HA   PRO  48           HA       PRO  48  -2.819   0.755  -2.297
  370   1HB   PRO  48          2HB       PRO  48  -3.499  -0.158   0.117
  371   2HB   PRO  48          1HB       PRO  48  -3.095  -1.271  -1.194
  372   1HG   PRO  48          2HG       PRO  48  -1.512  -0.508   1.195
  373   2HG   PRO  48          1HG       PRO  48  -1.514  -2.025   0.284
  374   1HD   PRO  48          2HD       PRO  48   0.342   0.127   0.066
  375   2HD   PRO  48          1HD       PRO  48   0.262  -1.335  -0.935
  376    H    SER  49           H        SER  49  -0.671   2.641  -1.500
  377    HA   SER  49           HA       SER  49  -0.822   3.991   0.796
  378   1HB   SER  49          2HB       SER  49  -0.031   4.594  -1.849
  379   2HB   SER  49          1HB       SER  49  -0.910   5.989  -1.224
  380    HG   SER  49           HG       SER  49   0.968   6.398  -0.344
  381    H    ASN  50           H        ASN  50  -3.498   3.787  -1.419
  382    HA   ASN  50           HA       ASN  50  -4.932   6.033  -1.105
  383   1HB   ASN  50          2HB       ASN  50  -5.613   3.199  -1.385
  384   2HB   ASN  50          1HB       ASN  50  -6.909   4.206  -0.755
  385   1HD2  ASN  50          1HD2      ASN  50  -7.558   6.036  -1.995
  386   2HD2  ASN  50          2HD2      ASN  50  -7.384   6.011  -3.709
  387    H    TYR  51           H        TYR  51  -4.291   3.659   1.363
  388    HA   TYR  51           HA       TYR  51  -4.989   5.536   3.400
  389   1HB   TYR  51          2HB       TYR  51  -6.674   3.051   3.034
  390   2HB   TYR  51          1HB       TYR  51  -6.608   3.963   4.542
  391    HD1  TYR  51           1HD      TYR  51  -8.361   3.545   1.542
  392    HD2  TYR  51           2HD      TYR  51  -7.079   6.563   4.254
  393    HE1  TYR  51           1HE      TYR  51 -10.125   5.040   0.704
  394    HE2  TYR  51           2HE      TYR  51  -8.840   8.066   3.423
  395    HH   TYR  51           HH       TYR  51 -10.182   8.162   0.992
  396    H    VAL  52           H        VAL  52  -2.592   4.844   3.215
  397    HA   VAL  52           HA       VAL  52  -2.185   2.807   5.261
  398    HB   VAL  52           HB       VAL  52  -0.653   1.544   4.133
  399   1HG1  VAL  52          1HG1      VAL  52  -2.579   1.015   2.975
  400   2HG1  VAL  52          2HG1      VAL  52  -1.447   1.394   1.676
  401   3HG1  VAL  52          3HG1      VAL  52  -2.650   2.582   2.172
  402   1HG2  VAL  52          1HG2      VAL  52   0.324   2.519   1.868
  403   2HG2  VAL  52          2HG2      VAL  52   1.057   2.886   3.429
  404   3HG2  VAL  52          3HG2      VAL  52  -0.025   4.052   2.665
  405    H    LEU  53           H        LEU  53   0.003   2.856   6.222
  406    HA   LEU  53           HA       LEU  53   1.150   5.559   6.197
  407   1HB   LEU  53          2HB       LEU  53  -0.019   4.050   8.336
  408   2HB   LEU  53          1HB       LEU  53   1.674   4.328   8.679
  409    HG   LEU  53           HG       LEU  53   0.759   6.162   9.688
  410   1HD1  LEU  53          1HD1      LEU  53   0.611   7.571   7.104
  411   2HD1  LEU  53          2HD1      LEU  53   2.129   6.741   7.450
  412   3HD1  LEU  53          3HD1      LEU  53   1.516   7.963   8.565
  413   1HD2  LEU  53          1HD2      LEU  53  -1.533   5.366   8.650
  414   2HD2  LEU  53          2HD2      LEU  53  -1.264   6.761   7.601
  415   3HD2  LEU  53          3HD2      LEU  53  -1.339   6.976   9.349
  416    H    GLU  54           H        GLU  54   3.189   5.478   5.442
  417    HA   GLU  54           HA       GLU  54   4.681   2.971   5.754
  418   1HB   GLU  54          2HB       GLU  54   4.351   3.737   3.456
  419   2HB   GLU  54          1HB       GLU  54   5.147   5.258   3.839
  420   1HG   GLU  54          2HG       GLU  54   6.924   3.261   4.625
  421   2HG   GLU  54          1HG       GLU  54   6.274   2.733   3.073
  422    H    GLU  55           H        GLU  55   6.440   2.858   6.978
  423    HA   GLU  55           HA       GLU  55   7.360   5.267   8.311
  424   1HB   GLU  55          2HB       GLU  55   8.314   2.471   8.868
  425   2HB   GLU  55          1HB       GLU  55   8.326   3.863   9.946
  426   1HG   GLU  55          2HG       GLU  55   5.648   3.408   9.216
  427   2HG   GLU  55          1HG       GLU  55   6.351   1.843   9.626
  428    H    VAL  56           H        VAL  56   9.386   6.110   8.100
  429    HA   VAL  56           HA       VAL  56  10.889   5.319   5.786
  430    HB   VAL  56           HB       VAL  56  11.761   7.370   7.807
  431   1HG1  VAL  56          1HG1      VAL  56  13.476   7.107   6.289
  432   2HG1  VAL  56          2HG1      VAL  56  12.543   8.404   5.542
  433   3HG1  VAL  56          3HG1      VAL  56  12.382   6.749   4.953
  434   1HG2  VAL  56          1HG2      VAL  56  10.518   8.814   5.854
  435   2HG2  VAL  56          2HG2      VAL  56   9.817   8.422   7.423
  436   3HG2  VAL  56          3HG2      VAL  56   9.443   7.426   6.018
  437    H    ASP  57           H        ASP  57  11.402   3.143   6.619
  438    HA   ASP  57           HA       ASP  57  13.072   2.757   8.862
  439   1HB   ASP  57          2HB       ASP  57  11.667   1.009   7.640
  440   2HB   ASP  57          1HB       ASP  57  12.964   0.947   6.451
  Start of MODEL    9
    1   1H    ILE   1          1HT       ILE   1  10.758  -1.380   8.845
    2   2H    ILE   1          2HT       ILE   1  10.131  -2.977   8.856
    3   3H    ILE   1          3HT       ILE   1  10.866  -2.332  10.267
    4    HA   ILE   1           HA       ILE   1   8.619  -2.242  10.653
    5    HB   ILE   1           HB       ILE   1   9.254   0.506   9.595
    6   1HG1  ILE   1          2HG1      ILE   1  10.108  -0.643  12.261
    7   2HG1  ILE   1          1HG1      ILE   1  11.183  -0.468  10.878
    8   1HG2  ILE   1          1HG2      ILE   1   7.861  -0.117  12.162
    9   2HG2  ILE   1          2HG2      ILE   1   6.980  -0.211  10.637
   10   3HG2  ILE   1          3HG2      ILE   1   7.730   1.307  11.132
   11   1HD1  ILE   1          1HD1      ILE   1  10.465   2.021  10.966
   12   2HD1  ILE   1          2HD1      ILE   1  11.655   1.410  12.116
   13   3HD1  ILE   1          3HD1      ILE   1   9.979   1.632  12.616
   14    HA   PRO   2           HA       PRO   2   6.151  -2.398   6.937
   15   1HB   PRO   2          2HB       PRO   2   3.880  -3.277   8.030
   16   2HB   PRO   2          1HB       PRO   2   5.311  -4.309   7.947
   17   1HG   PRO   2          2HG       PRO   2   4.189  -2.809  10.267
   18   2HG   PRO   2          1HG       PRO   2   4.952  -4.407  10.225
   19   1HD   PRO   2          2HD       PRO   2   6.198  -2.019  10.969
   20   2HD   PRO   2          1HD       PRO   2   7.024  -3.524  10.527
   21    H    ALA   3           H        ALA   3   3.543  -1.846   6.713
   22    HA   ALA   3           HA       ALA   3   3.339   0.969   7.496
   23   1HB   ALA   3          1HB       ALA   3   1.701   0.995   5.470
   24   2HB   ALA   3          2HB       ALA   3   2.564  -0.471   5.002
   25   3HB   ALA   3          3HB       ALA   3   3.443   1.046   5.198
   26    H    PHE   4           H        PHE   4   1.209   1.796   7.975
   27    HA   PHE   4           HA       PHE   4  -0.555  -0.257   9.073
   28   1HB   PHE   4          2HB       PHE   4   0.022   2.553   9.896
   29   2HB   PHE   4          1HB       PHE   4  -1.449   1.749  10.425
   30    HD1  PHE   4           1HD      PHE   4   2.068   0.544  10.081
   31    HD2  PHE   4           2HD      PHE   4  -1.235   1.277  12.662
   32    HE1  PHE   4           1HE      PHE   4   3.312  -0.460  11.950
   33    HE2  PHE   4           2HE      PHE   4   0.003   0.274  14.537
   34    HZ   PHE   4           HZ       PHE   4   2.280  -0.594  14.182
   35    H    VAL   5           H        VAL   5  -2.349  -0.610   7.903
   36    HA   VAL   5           HA       VAL   5  -3.238   1.280   5.924
   37    HB   VAL   5           HB       VAL   5  -4.553  -1.277   6.861
   38   1HG1  VAL   5          1HG1      VAL   5  -5.073   0.538   4.522
   39   2HG1  VAL   5          2HG1      VAL   5  -6.205  -0.011   5.759
   40   3HG1  VAL   5          3HG1      VAL   5  -5.602  -1.145   4.551
   41   1HG2  VAL   5          1HG2      VAL   5  -3.180  -1.162   4.256
   42   2HG2  VAL   5          2HG2      VAL   5  -3.260  -2.464   5.444
   43   3HG2  VAL   5          3HG2      VAL   5  -2.138  -1.123   5.679
   44    H    LYS   6           H        LYS   6  -5.445   2.117   5.823
   45    HA   LYS   6           HA       LYS   6  -6.495   2.718   8.505
   46   1HB   LYS   6          2HB       LYS   6  -6.771   4.427   6.039
   47   2HB   LYS   6          1HB       LYS   6  -7.242   4.854   7.678
   48   1HG   LYS   6          2HG       LYS   6  -5.064   5.186   8.361
   49   2HG   LYS   6          1HG       LYS   6  -4.399   4.167   7.084
   50   1HD   LYS   6          2HD       LYS   6  -3.877   6.413   6.514
   51   2HD   LYS   6          1HD       LYS   6  -5.181   5.903   5.438
   52   1HE   LYS   6          2HE       LYS   6  -6.603   7.427   6.259
   53   2HE   LYS   6          1HE       LYS   6  -6.125   7.107   7.925
   54   1HZ   LYS   6          1HZ       LYS   6  -5.309   9.189   7.729
   55   2HZ   LYS   6          2HZ       LYS   6  -5.112   9.095   6.051
   56   3HZ   LYS   6          3HZ       LYS   6  -3.974   8.380   7.078
   57    H    PHE   7           H        PHE   7  -7.769   2.954   5.210
   58    HA   PHE   7           HA       PHE   7 -10.190   1.599   6.146
   59   1HB   PHE   7          2HB       PHE   7  -9.804   4.070   4.671
   60   2HB   PHE   7          1HB       PHE   7 -10.888   2.966   3.825
   61    HD1  PHE   7           1HD      PHE   7 -12.288   1.648   6.015
   62    HD2  PHE   7           2HD      PHE   7 -11.141   5.721   5.568
   63    HE1  PHE   7           1HE      PHE   7 -14.132   2.325   7.497
   64    HE2  PHE   7           2HE      PHE   7 -12.982   6.407   7.049
   65    HZ   PHE   7           HZ       PHE   7 -14.480   4.708   8.016
   66    H    ALA   8           H        ALA   8 -11.357   0.297   4.604
   67    HA   ALA   8           HA       ALA   8  -9.552  -1.118   2.813
   68   1HB   ALA   8          1HB       ALA   8 -12.323  -1.978   3.583
   69   2HB   ALA   8          2HB       ALA   8 -10.912  -2.309   4.587
   70   3HB   ALA   8          3HB       ALA   8 -11.006  -2.967   2.954
   71    H    TYR   9           H        TYR   9  -9.879  -1.307   0.647
   72    HA   TYR   9           HA       TYR   9 -12.280  -0.094  -0.516
   73   1HB   TYR   9          2HB       TYR   9 -10.128   1.414  -0.472
   74   2HB   TYR   9          1HB       TYR   9  -9.624   0.391  -1.819
   75    HD1  TYR   9           1HD      TYR   9  -9.855   1.550  -3.800
   76    HD2  TYR   9           2HD      TYR   9 -12.913   1.898  -0.861
   77    HE1  TYR   9           1HE      TYR   9 -11.176   2.932  -5.347
   78    HE2  TYR   9           2HE      TYR   9 -14.242   3.280  -2.400
   79    HH   TYR   9           HH       TYR   9 -13.437   3.627  -5.724
   80    H    VAL  10           H        VAL  10 -13.140  -1.263  -2.133
   81    HA   VAL  10           HA       VAL  10 -11.796  -3.708  -2.907
   82    HB   VAL  10           HB       VAL  10 -13.982  -4.108  -4.185
   83   1HG1  VAL  10          1HG1      VAL  10 -15.218  -4.526  -1.953
   84   2HG1  VAL  10          2HG1      VAL  10 -13.720  -3.967  -1.207
   85   3HG1  VAL  10          3HG1      VAL  10 -13.705  -5.378  -2.266
   86   1HG2  VAL  10          1HG2      VAL  10 -14.628  -1.669  -4.098
   87   2HG2  VAL  10          2HG2      VAL  10 -15.008  -1.918  -2.394
   88   3HG2  VAL  10          3HG2      VAL  10 -15.887  -2.813  -3.633
   89    H    ALA  11           H        ALA  11 -10.361  -3.542  -4.518
   90    HA   ALA  11           HA       ALA  11 -11.172  -2.782  -7.124
   91   1HB   ALA  11          1HB       ALA  11 -10.181  -0.739  -7.469
   92   2HB   ALA  11          2HB       ALA  11  -9.058  -0.937  -6.124
   93   3HB   ALA  11          3HB       ALA  11 -10.752  -0.560  -5.811
   94    H    GLU  12           H        GLU  12 -10.293  -4.718  -7.786
   95    HA   GLU  12           HA       GLU  12  -7.363  -4.928  -7.534
   96   1HB   GLU  12          2HB       GLU  12  -9.265  -7.229  -7.973
   97   2HB   GLU  12          1HB       GLU  12  -7.551  -7.316  -7.587
   98   1HG   GLU  12          2HG       GLU  12  -7.899  -7.051  -5.391
   99   2HG   GLU  12          1HG       GLU  12  -9.172  -5.856  -5.630
  100    H    ARG  13           H        ARG  13  -6.355  -4.518  -9.340
  101    HA   ARG  13           HA       ARG  13  -7.144  -5.699 -11.832
  102   1HB   ARG  13          2HB       ARG  13  -8.464  -3.848 -12.243
  103   2HB   ARG  13          1HB       ARG  13  -7.459  -2.787 -11.268
  104   1HG   ARG  13          2HG       ARG  13  -6.080  -3.749 -13.648
  105   2HG   ARG  13          1HG       ARG  13  -7.563  -2.874 -14.018
  106   1HD   ARG  13          2HD       ARG  13  -6.075  -1.545 -11.951
  107   2HD   ARG  13          1HD       ARG  13  -5.067  -1.804 -13.371
  108    HE   ARG  13           HE       ARG  13  -7.617  -0.759 -14.079
  109   1HH1  ARG  13          1HH1      ARG  13  -4.507   0.142 -12.779
  110   2HH1  ARG  13          2HH1      ARG  13  -4.613   1.781 -13.324
  111   1HH2  ARG  13          1HH2      ARG  13  -7.759   1.399 -14.797
  112   2HH2  ARG  13          2HH2      ARG  13  -6.461   2.496 -14.469
  113    H    GLU  14           H        GLU  14  -5.406  -5.503 -13.453
  114    HA   GLU  14           HA       GLU  14  -2.861  -5.826 -12.375
  115   1HB   GLU  14          2HB       GLU  14  -2.019  -5.551 -14.667
  116   2HB   GLU  14          1HB       GLU  14  -3.452  -6.567 -14.641
  117   1HG   GLU  14          2HG       GLU  14  -4.710  -4.353 -15.146
  118   2HG   GLU  14          1HG       GLU  14  -3.124  -3.789 -15.669
  119    H    ASP  15           H        ASP  15  -1.940  -4.342 -11.128
  120    HA   ASP  15           HA       ASP  15  -0.519  -2.449 -10.970
  121   1HB   ASP  15          2HB       ASP  15  -1.385  -1.796 -13.387
  122   2HB   ASP  15          1HB       ASP  15  -2.437  -0.716 -12.472
  123    H    GLU  16           H        GLU  16  -3.864  -2.889 -10.476
  124    HA   GLU  16           HA       GLU  16  -3.874  -0.875  -8.335
  125   1HB   GLU  16          2HB       GLU  16  -5.608  -0.251  -9.760
  126   2HB   GLU  16          1HB       GLU  16  -6.013  -1.906 -10.160
  127   1HG   GLU  16          2HG       GLU  16  -7.537  -2.014  -8.572
  128   2HG   GLU  16          1HG       GLU  16  -6.422  -1.372  -7.368
  129    H    LEU  17           H        LEU  17  -4.451  -1.484  -6.294
  130    HA   LEU  17           HA       LEU  17  -5.090  -4.320  -5.861
  131   1HB   LEU  17          2HB       LEU  17  -3.698  -4.043  -3.704
  132   2HB   LEU  17          1HB       LEU  17  -2.873  -4.312  -5.232
  133    HG   LEU  17           HG       LEU  17  -2.240  -2.006  -5.388
  134   1HD1  LEU  17          1HD1      LEU  17  -4.083  -1.640  -3.051
  135   2HD1  LEU  17          2HD1      LEU  17  -4.072  -0.793  -4.598
  136   3HD1  LEU  17          3HD1      LEU  17  -2.801  -0.485  -3.418
  137   1HD2  LEU  17          1HD2      LEU  17  -0.577  -2.935  -4.154
  138   2HD2  LEU  17          2HD2      LEU  17  -1.671  -3.484  -2.885
  139   3HD2  LEU  17          3HD2      LEU  17  -1.182  -1.791  -2.956
  140    H    SER  18           H        SER  18  -6.363  -4.797  -4.051
  141    HA   SER  18           HA       SER  18  -8.194  -2.720  -3.324
  142   1HB   SER  18          2HB       SER  18  -9.595  -4.392  -2.623
  143   2HB   SER  18          1HB       SER  18  -8.551  -5.344  -3.682
  144    HG   SER  18           HG       SER  18  -7.854  -6.394  -2.001
  145    H    LEU  19           H        LEU  19  -8.620  -1.919  -1.243
  146    HA   LEU  19           HA       LEU  19  -6.271  -1.903   0.493
  147   1HB   LEU  19          2HB       LEU  19  -8.529  -0.085  -0.040
  148   2HB   LEU  19          1HB       LEU  19  -8.020  -0.157   1.640
  149    HG   LEU  19           HG       LEU  19  -6.941   1.677   0.429
  150   1HD1  LEU  19          1HD1      LEU  19  -4.841   1.375   1.353
  151   2HD1  LEU  19          2HD1      LEU  19  -4.805  -0.347   0.969
  152   3HD1  LEU  19          3HD1      LEU  19  -5.829   0.246   2.278
  153   1HD2  LEU  19          1HD2      LEU  19  -5.455  -0.375  -1.179
  154   2HD2  LEU  19          2HD2      LEU  19  -5.542   1.370  -1.419
  155   3HD2  LEU  19          3HD2      LEU  19  -6.946   0.362  -1.767
  156    H    VAL  20           H        VAL  20  -6.365  -2.330   2.713
  157    HA   VAL  20           HA       VAL  20  -8.475  -4.209   3.459
  158    HB   VAL  20           HB       VAL  20  -6.118  -3.668   5.215
  159   1HG1  VAL  20          1HG1      VAL  20  -7.407  -5.229   6.248
  160   2HG1  VAL  20          2HG1      VAL  20  -6.444  -6.307   5.239
  161   3HG1  VAL  20          3HG1      VAL  20  -8.071  -5.846   4.735
  162   1HG2  VAL  20          1HG2      VAL  20  -5.026  -3.885   3.107
  163   2HG2  VAL  20          2HG2      VAL  20  -6.052  -5.245   2.648
  164   3HG2  VAL  20          3HG2      VAL  20  -4.866  -5.432   3.940
  165    H    LYS  21           H        LYS  21  -9.220  -4.175   5.744
  166    HA   LYS  21           HA       LYS  21 -10.363  -1.659   6.354
  167   1HB   LYS  21          2HB       LYS  21 -11.038  -2.866   8.516
  168   2HB   LYS  21          1HB       LYS  21 -11.652  -3.504   6.998
  169   1HG   LYS  21          2HG       LYS  21  -9.167  -4.768   7.571
  170   2HG   LYS  21          1HG       LYS  21 -10.183  -4.837   9.011
  171   1HD   LYS  21          2HD       LYS  21 -10.511  -6.788   7.563
  172   2HD   LYS  21          1HD       LYS  21 -11.986  -5.833   7.720
  173   1HE   LYS  21          2HE       LYS  21 -11.176  -4.689   5.540
  174   2HE   LYS  21          1HE       LYS  21 -10.141  -6.106   5.376
  175   1HZ   LYS  21          1HZ       LYS  21 -12.106  -6.582   4.206
  176   2HZ   LYS  21          2HZ       LYS  21 -13.100  -6.017   5.453
  177   3HZ   LYS  21          3HZ       LYS  21 -12.229  -7.454   5.650
  178    H    GLY  22           H        GLY  22  -7.581  -3.410   7.638
  179   1HA   GLY  22          2HA       GLY  22  -6.369  -1.053   8.606
  180   2HA   GLY  22          1HA       GLY  22  -7.142  -1.892   9.935
  181    H    SER  23           H        SER  23  -5.682  -3.532   7.212
  182    HA   SER  23           HA       SER  23  -3.992  -5.028   8.980
  183   1HB   SER  23          2HB       SER  23  -5.011  -5.350   6.333
  184   2HB   SER  23          1HB       SER  23  -3.259  -5.540   6.296
  185    HG   SER  23           HG       SER  23  -4.888  -6.857   8.196
  186    H    ARG  24           H        ARG  24  -1.651  -5.452   7.849
  187    HA   ARG  24           HA       ARG  24  -0.432  -2.794   7.563
  188   1HB   ARG  24          2HB       ARG  24   0.787  -5.184   8.882
  189   2HB   ARG  24          1HB       ARG  24   1.532  -3.608   8.729
  190   1HG   ARG  24          2HG       ARG  24  -1.076  -3.478   9.990
  191   2HG   ARG  24          1HG       ARG  24   0.044  -4.533  10.863
  192   1HD   ARG  24          2HD       ARG  24   1.699  -2.511  10.443
  193   2HD   ARG  24          1HD       ARG  24   0.190  -1.605  10.347
  194    HE   ARG  24           HE       ARG  24  -0.088  -1.886  12.608
  195   1HH1  ARG  24          1HH1      ARG  24   2.409  -4.052  11.486
  196   2HH1  ARG  24          2HH1      ARG  24   2.905  -4.507  13.081
  197   1HH2  ARG  24          1HH2      ARG  24   0.564  -2.481  14.706
  198   2HH2  ARG  24          2HH2      ARG  24   1.857  -3.615  14.910
  199    H    VAL  25           H        VAL  25   1.320  -2.565   6.177
  200    HA   VAL  25           HA       VAL  25   1.663  -4.756   4.232
  201    HB   VAL  25           HB       VAL  25   1.816  -1.790   3.671
  202   1HG1  VAL  25          1HG1      VAL  25   1.605  -2.680   1.276
  203   2HG1  VAL  25          2HG1      VAL  25   2.088  -4.234   1.955
  204   3HG1  VAL  25          3HG1      VAL  25   3.162  -2.842   2.083
  205   1HG2  VAL  25          1HG2      VAL  25  -0.388  -3.758   3.065
  206   2HG2  VAL  25          2HG2      VAL  25  -0.319  -2.090   2.494
  207   3HG2  VAL  25          3HG2      VAL  25  -0.461  -2.427   4.219
  208    H    THR  26           H        THR  26   3.738  -4.611   2.969
  209    HA   THR  26           HA       THR  26   5.946  -4.303   4.800
  210    HB   THR  26           HB       THR  26   7.228  -5.498   3.285
  211    HG1  THR  26           1HG      THR  26   6.807  -3.985   1.569
  212   1HG2  THR  26          1HG2      THR  26   5.987  -7.318   3.439
  213   2HG2  THR  26          2HG2      THR  26   5.269  -6.868   1.894
  214   3HG2  THR  26          3HG2      THR  26   4.490  -6.387   3.400
  215    H    VAL  27           H        VAL  27   7.579  -2.773   4.709
  216    HA   VAL  27           HA       VAL  27   6.931  -0.218   3.893
  217    HB   VAL  27           HB       VAL  27   8.747  -0.675   5.477
  218   1HG1  VAL  27          1HG1      VAL  27  10.666  -1.793   5.000
  219   2HG1  VAL  27          2HG1      VAL  27  10.683  -1.271   3.316
  220   3HG1  VAL  27          3HG1      VAL  27   9.608  -2.574   3.823
  221   1HG2  VAL  27          1HG2      VAL  27  10.280   1.041   4.756
  222   2HG2  VAL  27          2HG2      VAL  27   8.643   1.489   4.277
  223   3HG2  VAL  27          3HG2      VAL  27   9.767   0.845   3.080
  224    H    MET  28           H        MET  28   6.204   0.026   1.929
  225    HA   MET  28           HA       MET  28   6.915  -1.093  -0.444
  226   1HB   MET  28          2HB       MET  28   6.165   1.803  -0.397
  227   2HB   MET  28          1HB       MET  28   5.630   0.531  -1.489
  228   1HG   MET  28          2HG       MET  28   4.623  -0.384   0.833
  229   2HG   MET  28          1HG       MET  28   4.574   1.352   1.130
  230   1HE   MET  28          1HE       MET  28   2.945  -1.412   0.440
  231   2HE   MET  28          2HE       MET  28   2.271  -1.446  -1.189
  232   3HE   MET  28          3HE       MET  28   1.351  -0.723   0.130
  233    H    GLU  29           H        GLU  29   7.612   0.498  -2.351
  234    HA   GLU  29           HA       GLU  29  10.433   1.064  -1.856
  235   1HB   GLU  29          2HB       GLU  29  10.796   0.454  -4.020
  236   2HB   GLU  29          1HB       GLU  29   9.245  -0.330  -3.838
  237   1HG   GLU  29          2HG       GLU  29   8.121   1.503  -4.904
  238   2HG   GLU  29          1HG       GLU  29   9.622   2.420  -4.987
  239    H    LYS  30           H        LYS  30  11.393   2.990  -2.920
  240    HA   LYS  30           HA       LYS  30   9.815   5.317  -2.355
  241   1HB   LYS  30          2HB       LYS  30  12.641   4.884  -3.279
  242   2HB   LYS  30          1HB       LYS  30  11.929   6.491  -3.274
  243   1HG   LYS  30          2HG       LYS  30  12.481   4.691  -0.937
  244   2HG   LYS  30          1HG       LYS  30  13.111   6.308  -1.261
  245   1HD   LYS  30          2HD       LYS  30  11.516   6.907   0.224
  246   2HD   LYS  30          1HD       LYS  30  10.486   6.857  -1.207
  247   1HE   LYS  30          2HE       LYS  30   9.242   5.570   0.212
  248   2HE   LYS  30          1HE       LYS  30  10.249   4.321  -0.520
  249   1HZ   LYS  30          1HZ       LYS  30  11.015   5.678   1.995
  250   2HZ   LYS  30          2HZ       LYS  30  11.611   4.225   1.365
  251   3HZ   LYS  30          3HZ       LYS  30  10.038   4.296   1.984
  252    H    CYS  31           H        CYS  31   9.068   6.841  -3.855
  253    HA   CYS  31           HA       CYS  31   8.884   5.801  -6.592
  254   1HB   CYS  31          2HB       CYS  31   6.697   6.104  -5.883
  255   2HB   CYS  31          1HB       CYS  31   7.095   7.502  -4.898
  256    HG   CYS  31           HG       CYS  31   5.900   7.681  -7.557
  257    H    SER  32           H        SER  32   9.339   7.116  -8.370
  258    HA   SER  32           HA       SER  32  11.094   9.371  -7.770
  259   1HB   SER  32          2HB       SER  32  11.797   7.548  -9.369
  260   2HB   SER  32          1HB       SER  32  10.538   8.114 -10.465
  261    HG   SER  32           HG       SER  32  11.641  10.236 -10.225
  262    H    ASP  33           H        ASP  33   8.208   8.589  -9.692
  263    HA   ASP  33           HA       ASP  33   7.332  11.347  -9.403
  264   1HB   ASP  33          2HB       ASP  33   7.693  10.026 -12.096
  265   2HB   ASP  33          1HB       ASP  33   6.791  11.519 -11.836
  266    H    GLY  34           H        GLY  34   5.550  10.764  -8.214
  267   1HA   GLY  34          2HA       GLY  34   3.376  10.132  -7.874
  268   2HA   GLY  34          1HA       GLY  34   3.247   9.967  -9.615
  269    H    TRP  35           H        TRP  35   5.067   7.788  -9.997
  270    HA   TRP  35           HA       TRP  35   3.319   5.668  -9.184
  271   1HB   TRP  35          2HB       TRP  35   4.544   4.271 -10.649
  272   2HB   TRP  35          1HB       TRP  35   4.476   5.846 -11.431
  273    HD1  TRP  35           HD       TRP  35   6.858   7.405 -10.725
  274    HE1  TRP  35           1HE      TRP  35   9.283   6.575 -10.949
  275    HE3  TRP  35           3HE      TRP  35   5.995   2.365 -10.742
  276    HZ2  TRP  35           2HZ      TRP  35  10.650   4.112 -11.110
  277    HZ3  TRP  35           3HZ      TRP  35   7.917   0.840 -10.933
  278    HH2  TRP  35           HH       TRP  35  10.196   1.697 -11.114
  279    H    TRP  36           H        TRP  36   3.397   4.766  -7.275
  280    HA   TRP  36           HA       TRP  36   5.996   4.343  -5.983
  281   1HB   TRP  36          2HB       TRP  36   3.606   5.584  -5.008
  282   2HB   TRP  36          1HB       TRP  36   3.892   4.112  -4.089
  283    HD1  TRP  36           HD       TRP  36   7.052   4.230  -3.929
  284    HE1  TRP  36           1HE      TRP  36   8.171   5.991  -2.414
  285    HE3  TRP  36           3HE      TRP  36   3.225   7.602  -3.642
  286    HZ2  TRP  36           2HZ      TRP  36   7.518   8.483  -1.266
  287    HZ3  TRP  36           3HZ      TRP  36   3.553   9.650  -2.319
  288    HH2  TRP  36           HH       TRP  36   5.656  10.080  -1.156
  289    H    ARG  37           H        ARG  37   6.581   2.283  -5.682
  290    HA   ARG  37           HA       ARG  37   4.531   0.203  -6.005
  291   1HB   ARG  37          2HB       ARG  37   6.780   0.369  -7.410
  292   2HB   ARG  37          1HB       ARG  37   7.425  -0.473  -6.007
  293   1HG   ARG  37          2HG       ARG  37   6.766  -2.348  -6.990
  294   2HG   ARG  37          1HG       ARG  37   5.124  -1.868  -6.561
  295   1HD   ARG  37          2HD       ARG  37   4.593  -1.682  -8.704
  296   2HD   ARG  37          1HD       ARG  37   5.875  -0.495  -8.940
  297    HE   ARG  37           HE       ARG  37   7.121  -2.111  -9.957
  298   1HH1  ARG  37          1HH1      ARG  37   4.600  -3.657  -8.106
  299   2HH1  ARG  37          2HH1      ARG  37   4.966  -5.243  -8.696
  300   1HH2  ARG  37          1HH2      ARG  37   7.601  -4.193 -10.740
  301   2HH2  ARG  37          2HH2      ARG  37   6.672  -5.548 -10.193
  302    H    GLY  38           H        GLY  38   4.462  -1.562  -4.573
  303   1HA   GLY  38          2HA       GLY  38   6.069  -1.394  -2.141
  304   2HA   GLY  38          1HA       GLY  38   4.332  -1.190  -1.953
  305    H    SER  39           H        SER  39   5.431  -3.166  -0.555
  306    HA   SER  39           HA       SER  39   4.546  -5.563  -1.992
  307   1HB   SER  39          2HB       SER  39   6.959  -5.428  -0.172
  308   2HB   SER  39          1HB       SER  39   6.332  -6.883  -0.953
  309    HG   SER  39           HG       SER  39   7.191  -4.576  -2.361
  310    H    TYR  40           H        TYR  40   3.832  -7.314  -0.698
  311    HA   TYR  40           HA       TYR  40   3.060  -6.637   2.049
  312   1HB   TYR  40          2HB       TYR  40   1.166  -7.903   0.068
  313   2HB   TYR  40          1HB       TYR  40   0.802  -7.394   1.711
  314    HD1  TYR  40           1HD      TYR  40   2.175  -5.900  -1.429
  315    HD2  TYR  40           2HD      TYR  40  -0.405  -5.447   1.923
  316    HE1  TYR  40           1HE      TYR  40   1.468  -3.710  -2.280
  317    HE2  TYR  40           2HE      TYR  40  -1.121  -3.252   1.079
  318    HH   TYR  40           HH       TYR  40   0.394  -1.787  -1.739
  319    H    ASN  41           H        ASN  41   2.923  -8.406   3.435
  320    HA   ASN  41           HA       ASN  41   4.517 -10.635   2.807
  321   1HB   ASN  41          2HB       ASN  41   3.377 -11.618   4.928
  322   2HB   ASN  41          1HB       ASN  41   4.393 -10.187   5.095
  323   1HD2  ASN  41          1HD2      ASN  41   3.455  -8.213   5.551
  324   2HD2  ASN  41          2HD2      ASN  41   1.824  -8.063   6.096
  325    H    GLY  42           H        GLY  42   3.689 -11.490   0.860
  326   1HA   GLY  42          2HA       GLY  42   2.545 -13.706   0.502
  327   2HA   GLY  42          1HA       GLY  42   1.121 -12.886   1.122
  328    H    GLN  43           H        GLN  43   2.329 -10.434  -0.461
  329    HA   GLN  43           HA       GLN  43   2.069 -11.147  -3.194
  330   1HB   GLN  43          2HB       GLN  43  -0.058 -10.082  -3.702
  331   2HB   GLN  43          1HB       GLN  43  -0.289 -11.393  -2.547
  332   1HG   GLN  43          2HG       GLN  43  -0.048  -9.425  -0.804
  333   2HG   GLN  43          1HG       GLN  43  -0.580  -8.460  -2.184
  334   1HE2  GLN  43          1HE2      GLN  43  -1.476 -10.612   0.288
  335   2HE2  GLN  43          2HE2      GLN  43  -3.156 -10.741  -0.108
  336    H    ILE  44           H        ILE  44   2.373  -9.389  -4.628
  337    HA   ILE  44           HA       ILE  44   3.184  -6.870  -3.343
  338    HB   ILE  44           HB       ILE  44   4.642  -8.573  -5.320
  339   1HG1  ILE  44          2HG1      ILE  44   6.557  -7.833  -3.907
  340   2HG1  ILE  44          1HG1      ILE  44   5.414  -6.894  -2.947
  341   1HG2  ILE  44          1HG2      ILE  44   6.072  -6.661  -5.949
  342   2HG2  ILE  44          2HG2      ILE  44   4.952  -5.577  -5.127
  343   3HG2  ILE  44          3HG2      ILE  44   4.420  -6.489  -6.540
  344   1HD1  ILE  44          1HD1      ILE  44   4.774  -9.746  -3.276
  345   2HD1  ILE  44          2HD1      ILE  44   4.630  -8.701  -1.862
  346   3HD1  ILE  44          3HD1      ILE  44   6.199  -9.370  -2.309
  347    H    GLY  45           H        GLY  45   3.134  -4.969  -4.761
  348   1HA   GLY  45          2HA       GLY  45   2.017  -4.958  -7.331
  349   2HA   GLY  45          1HA       GLY  45   0.689  -4.804  -6.189
  350    H    TRP  46           H        TRP  46   0.099  -2.750  -6.721
  351    HA   TRP  46           HA       TRP  46   2.100  -0.618  -6.564
  352   1HB   TRP  46          2HB       TRP  46   0.118  -1.012  -8.373
  353   2HB   TRP  46          1HB       TRP  46  -0.705   0.049  -7.231
  354    HD1  TRP  46           HD       TRP  46   3.032   0.425  -8.064
  355    HE1  TRP  46           1HE      TRP  46   3.380   2.702  -9.212
  356    HE3  TRP  46           3HE      TRP  46  -1.856   1.837  -8.568
  357    HZ2  TRP  46           2HZ      TRP  46   1.792   4.818 -10.203
  358    HZ3  TRP  46           3HZ      TRP  46  -2.356   4.001  -9.626
  359    HH2  TRP  46           HH       TRP  46  -0.569   5.459 -10.426
  360    H    PHE  47           H        PHE  47   2.059   0.934  -5.041
  361    HA   PHE  47           HA       PHE  47   1.047   0.459  -2.539
  362   1HB   PHE  47          2HB       PHE  47   1.811   2.608  -1.939
  363   2HB   PHE  47          1HB       PHE  47   2.878   2.060  -3.230
  364    HD1  PHE  47           1HD      PHE  47   1.860   4.918  -2.091
  365    HD2  PHE  47           2HD      PHE  47   1.214   2.619  -5.614
  366    HE1  PHE  47           1HE      PHE  47   1.369   6.978  -3.343
  367    HE2  PHE  47           2HE      PHE  47   0.723   4.675  -6.871
  368    HZ   PHE  47           HZ       PHE  47   0.801   6.858  -5.736
  369    HA   PRO  48           HA       PRO  48  -3.127   2.056  -2.793
  370   1HB   PRO  48          2HB       PRO  48  -3.876   1.125  -0.378
  371   2HB   PRO  48          1HB       PRO  48  -3.611   0.051  -1.750
  372   1HG   PRO  48          2HG       PRO  48  -2.050   0.333   0.693
  373   2HG   PRO  48          1HG       PRO  48  -1.959  -0.924  -0.547
  374   1HD   PRO  48          2HD       PRO  48  -0.296   1.466  -0.200
  375   2HD   PRO  48          1HD       PRO  48   0.001   0.026  -1.192
  376    H    SER  49           H        SER  49  -0.859   3.755  -1.735
  377    HA   SER  49           HA       SER  49  -0.977   5.020   0.555
  378   1HB   SER  49          2HB       SER  49  -0.420   5.873  -2.139
  379   2HB   SER  49          1HB       SER  49  -1.026   7.211  -1.162
  380    HG   SER  49           HG       SER  49   1.032   5.476  -0.280
  381    H    ASN  50           H        ASN  50  -3.663   5.184  -1.708
  382    HA   ASN  50           HA       ASN  50  -5.049   7.380  -1.043
  383   1HB   ASN  50          2HB       ASN  50  -5.789   4.635  -1.780
  384   2HB   ASN  50          1HB       ASN  50  -7.079   5.600  -1.076
  385   1HD2  ASN  50          1HD2      ASN  50  -8.023   7.149  -2.256
  386   2HD2  ASN  50          2HD2      ASN  50  -7.587   7.535  -3.879
  387    H    TYR  51           H        TYR  51  -4.574   4.576   0.996
  388    HA   TYR  51           HA       TYR  51  -5.305   6.119   3.301
  389   1HB   TYR  51          2HB       TYR  51  -6.913   3.623   2.702
  390   2HB   TYR  51          1HB       TYR  51  -7.056   4.643   4.132
  391    HD1  TYR  51           1HD      TYR  51  -8.130   4.105   0.748
  392    HD2  TYR  51           2HD      TYR  51  -7.896   7.015   3.842
  393    HE1  TYR  51           1HE      TYR  51  -9.845   5.446  -0.392
  394    HE2  TYR  51           2HE      TYR  51  -9.612   8.365   2.711
  395    HH   TYR  51           HH       TYR  51 -11.635   7.629   0.901
  396    H    VAL  52           H        VAL  52  -2.914   5.442   3.087
  397    HA   VAL  52           HA       VAL  52  -2.569   3.102   4.794
  398    HB   VAL  52           HB       VAL  52  -0.987   2.045   3.518
  399   1HG1  VAL  52          1HG1      VAL  52  -2.918   1.724   2.265
  400   2HG1  VAL  52          2HG1      VAL  52  -1.729   2.238   1.067
  401   3HG1  VAL  52          3HG1      VAL  52  -2.922   3.384   1.673
  402   1HG2  VAL  52          1HG2      VAL  52  -0.353   4.763   2.500
  403   2HG2  VAL  52          2HG2      VAL  52   0.018   3.391   1.455
  404   3HG2  VAL  52          3HG2      VAL  52   0.723   3.488   3.069
  405    H    LEU  53           H        LEU  53  -0.407   3.011   5.820
  406    HA   LEU  53           HA       LEU  53   0.801   5.660   6.143
  407   1HB   LEU  53          2HB       LEU  53  -0.735   4.951   8.040
  408   2HB   LEU  53          1HB       LEU  53   0.451   3.715   8.384
  409    HG   LEU  53           HG       LEU  53   2.078   5.302   8.982
  410   1HD1  LEU  53          1HD1      LEU  53   1.851   6.934   7.283
  411   2HD1  LEU  53          2HD1      LEU  53   1.585   7.761   8.819
  412   3HD1  LEU  53          3HD1      LEU  53   0.213   7.334   7.797
  413   1HD2  LEU  53          1HD2      LEU  53  -0.355   6.574  10.143
  414   2HD2  LEU  53          2HD2      LEU  53   1.167   6.141  10.923
  415   3HD2  LEU  53          3HD2      LEU  53   0.004   4.883  10.498
  416    H    GLU  54           H        GLU  54   2.859   5.552   5.506
  417    HA   GLU  54           HA       GLU  54   4.261   2.984   5.737
  418   1HB   GLU  54          2HB       GLU  54   4.085   3.881   3.472
  419   2HB   GLU  54          1HB       GLU  54   4.875   5.367   3.985
  420   1HG   GLU  54          2HG       GLU  54   6.536   3.191   4.716
  421   2HG   GLU  54          1HG       GLU  54   6.039   2.965   3.038
  422    H    GLU  55           H        GLU  55   5.987   2.752   7.000
  423    HA   GLU  55           HA       GLU  55   6.960   5.100   8.436
  424   1HB   GLU  55          2HB       GLU  55   7.552   2.241   9.147
  425   2HB   GLU  55          1HB       GLU  55   7.627   3.658  10.186
  426   1HG   GLU  55          2HG       GLU  55   4.996   3.546   9.314
  427   2HG   GLU  55          1HG       GLU  55   5.443   1.875   9.645
  428    H    VAL  56           H        VAL  56   8.866   5.932   7.856
  429    HA   VAL  56           HA       VAL  56  10.552   4.550   5.990
  430    HB   VAL  56           HB       VAL  56  11.111   7.166   7.386
  431   1HG1  VAL  56          1HG1      VAL  56  12.298   5.753   5.027
  432   2HG1  VAL  56          2HG1      VAL  56  13.108   6.482   6.414
  433   3HG1  VAL  56          3HG1      VAL  56  12.391   7.508   5.171
  434   1HG2  VAL  56          1HG2      VAL  56   9.757   8.273   5.970
  435   2HG2  VAL  56          2HG2      VAL  56   8.945   6.716   5.810
  436   3HG2  VAL  56          3HG2      VAL  56  10.141   7.214   4.614
  437    H    ASP  57           H        ASP  57  11.191   2.732   7.246
  438    HA   ASP  57           HA       ASP  57  12.474   2.857   9.731
  439   1HB   ASP  57          2HB       ASP  57  11.588   0.778   8.700
  440   2HB   ASP  57          1HB       ASP  57  12.910   0.820   7.536
  Start of MODEL   10
    1   1H    ILE   1          1HT       ILE   1  10.811  -1.487   8.342
    2   2H    ILE   1          2HT       ILE   1  10.254  -2.936   9.075
    3   3H    ILE   1          3HT       ILE   1  11.247  -1.851   9.959
    4    HA   ILE   1           HA       ILE   1   8.921  -1.768  10.571
    5    HB   ILE   1           HB       ILE   1   8.763   0.833   9.954
    6   1HG1  ILE   1          2HG1      ILE   1  11.172   1.671   9.890
    7   2HG1  ILE   1          1HG1      ILE   1  11.625   0.034   9.426
    8   1HG2  ILE   1          1HG2      ILE   1   9.456   1.166  12.074
    9   2HG2  ILE   1          2HG2      ILE   1  10.937   0.233  11.853
   10   3HG2  ILE   1          3HG2      ILE   1   9.405  -0.596  12.132
   11   1HD1  ILE   1          1HD1      ILE   1  10.752   0.239   7.342
   12   2HD1  ILE   1          2HD1      ILE   1  11.159   1.929   7.648
   13   3HD1  ILE   1          3HD1      ILE   1   9.499   1.369   7.855
   14    HA   PRO   2           HA       PRO   2   6.310  -1.943   6.912
   15   1HB   PRO   2          2HB       PRO   2   4.165  -3.026   8.076
   16   2HB   PRO   2          1HB       PRO   2   5.635  -3.973   7.812
   17   1HG   PRO   2          2HG       PRO   2   4.617  -2.711  10.317
   18   2HG   PRO   2          1HG       PRO   2   5.427  -4.271  10.095
   19   1HD   PRO   2          2HD       PRO   2   6.647  -1.919  10.954
   20   2HD   PRO   2          1HD       PRO   2   7.489  -3.337  10.304
   21    H    ALA   3           H        ALA   3   3.657  -1.507   6.929
   22    HA   ALA   3           HA       ALA   3   3.336   1.147   8.122
   23   1HB   ALA   3          1HB       ALA   3   1.856   1.618   6.089
   24   2HB   ALA   3          2HB       ALA   3   2.632   0.210   5.365
   25   3HB   ALA   3          3HB       ALA   3   3.603   1.601   5.848
   26    H    PHE   4           H        PHE   4   1.011   1.811   8.365
   27    HA   PHE   4           HA       PHE   4  -0.627  -0.503   9.097
   28   1HB   PHE   4          2HB       PHE   4   0.239   1.584  10.705
   29   2HB   PHE   4          1HB       PHE   4  -1.430   1.996  10.324
   30    HD1  PHE   4           1HD      PHE   4  -0.007   1.090  12.992
   31    HD2  PHE   4           2HD      PHE   4  -2.488  -0.841  10.123
   32    HE1  PHE   4           1HE      PHE   4  -0.786  -0.475  14.724
   33    HE2  PHE   4           2HE      PHE   4  -3.271  -2.408  11.850
   34    HZ   PHE   4           HZ       PHE   4  -2.421  -2.226  14.154
   35    H    VAL   5           H        VAL   5  -2.288  -0.833   7.773
   36    HA   VAL   5           HA       VAL   5  -3.289   1.332   6.115
   37    HB   VAL   5           HB       VAL   5  -4.281  -1.514   6.179
   38   1HG1  VAL   5          1HG1      VAL   5  -4.321  -0.312   3.602
   39   2HG1  VAL   5          2HG1      VAL   5  -5.071   0.800   4.744
   40   3HG1  VAL   5          3HG1      VAL   5  -5.680  -0.846   4.590
   41   1HG2  VAL   5          1HG2      VAL   5  -2.523  -0.976   3.976
   42   2HG2  VAL   5          2HG2      VAL   5  -2.419  -2.237   5.203
   43   3HG2  VAL   5          3HG2      VAL   5  -1.691  -0.658   5.498
   44    H    LYS   6           H        LYS   6  -5.395   2.121   6.126
   45    HA   LYS   6           HA       LYS   6  -6.877   1.598   8.601
   46   1HB   LYS   6          2HB       LYS   6  -7.090   3.983   6.767
   47   2HB   LYS   6          1HB       LYS   6  -7.880   3.792   8.326
   48   1HG   LYS   6          2HG       LYS   6  -5.945   4.153   9.503
   49   2HG   LYS   6          1HG       LYS   6  -4.910   3.617   8.178
   50   1HD   LYS   6          2HD       LYS   6  -5.827   5.707   6.949
   51   2HD   LYS   6          1HD       LYS   6  -6.278   6.252   8.564
   52   1HE   LYS   6          2HE       LYS   6  -4.094   6.453   9.253
   53   2HE   LYS   6          1HE       LYS   6  -3.508   5.258   8.097
   54   1HZ   LYS   6          1HZ       LYS   6  -4.166   6.997   6.355
   55   2HZ   LYS   6          2HZ       LYS   6  -2.754   7.258   7.247
   56   3HZ   LYS   6          3HZ       LYS   6  -4.169   8.096   7.641
   57    H    PHE   7           H        PHE   7  -8.065   2.982   5.584
   58    HA   PHE   7           HA       PHE   7 -10.359   1.216   5.706
   59   1HB   PHE   7          2HB       PHE   7  -9.875   3.877   4.779
   60   2HB   PHE   7          1HB       PHE   7 -10.513   2.921   3.444
   61    HD1  PHE   7           1HD      PHE   7 -11.386   4.959   6.113
   62    HD2  PHE   7           2HD      PHE   7 -12.572   1.370   4.158
   63    HE1  PHE   7           1HE      PHE   7 -13.656   5.219   7.024
   64    HE2  PHE   7           2HE      PHE   7 -14.845   1.624   5.066
   65    HZ   PHE   7           HZ       PHE   7 -15.389   3.549   6.500
   66    H    ALA   8           H        ALA   8 -11.123   0.026   3.874
   67    HA   ALA   8           HA       ALA   8  -8.962  -0.838   2.098
   68   1HB   ALA   8          1HB       ALA   8  -9.404  -2.955   2.598
   69   2HB   ALA   8          2HB       ALA   8 -11.128  -2.731   2.305
   70   3HB   ALA   8          3HB       ALA   8 -10.444  -2.344   3.882
   71    H    TYR   9           H        TYR   9  -9.383  -1.190  -0.077
   72    HA   TYR   9           HA       TYR   9 -12.055  -0.500  -1.072
   73   1HB   TYR   9          2HB       TYR   9 -10.386   1.460  -1.177
   74   2HB   TYR   9          1HB       TYR   9  -9.577   0.531  -2.439
   75    HD1  TYR   9           1HD      TYR   9  -9.968   1.654  -4.426
   76    HD2  TYR   9           2HD      TYR   9 -13.214   1.017  -1.751
   77    HE1  TYR   9           1HE      TYR   9 -11.520   2.566  -6.101
   78    HE2  TYR   9           2HE      TYR   9 -14.776   1.926  -3.420
   79    HH   TYR   9           HH       TYR   9 -14.310   3.726  -5.587
   80    H    VAL  10           H        VAL  10 -12.710  -1.668  -2.835
   81    HA   VAL  10           HA       VAL  10 -11.053  -3.930  -3.548
   82    HB   VAL  10           HB       VAL  10 -13.097  -4.638  -4.866
   83   1HG1  VAL  10          1HG1      VAL  10 -14.282  -5.405  -2.907
   84   2HG1  VAL  10          2HG1      VAL  10 -13.509  -4.168  -1.915
   85   3HG1  VAL  10          3HG1      VAL  10 -12.545  -5.474  -2.607
   86   1HG2  VAL  10          1HG2      VAL  10 -14.945  -3.371  -4.991
   87   2HG2  VAL  10          2HG2      VAL  10 -13.875  -2.039  -4.555
   88   3HG2  VAL  10          3HG2      VAL  10 -14.821  -2.853  -3.309
   89    H    ALA  11           H        ALA  11  -9.582  -3.600  -5.095
   90    HA   ALA  11           HA       ALA  11 -10.145  -3.254  -7.754
   91   1HB   ALA  11          1HB       ALA  11  -9.139  -0.787  -7.880
   92   2HB   ALA  11          2HB       ALA  11  -9.959  -0.670  -6.323
   93   3HB   ALA  11          3HB       ALA  11 -10.870  -1.104  -7.769
   94    H    GLU  12           H        GLU  12  -8.463  -4.565  -8.222
   95    HA   GLU  12           HA       GLU  12  -5.775  -3.538  -7.616
   96   1HB   GLU  12          2HB       GLU  12  -6.480  -6.471  -7.710
   97   2HB   GLU  12          1HB       GLU  12  -4.958  -5.751  -7.203
   98   1HG   GLU  12          2HG       GLU  12  -5.841  -5.007  -5.183
   99   2HG   GLU  12          1HG       GLU  12  -7.504  -5.162  -5.747
  100    H    ARG  13           H        ARG  13  -4.799  -3.017  -9.417
  101    HA   ARG  13           HA       ARG  13  -4.694  -4.799 -11.657
  102   1HB   ARG  13          2HB       ARG  13  -6.518  -3.865 -12.639
  103   2HB   ARG  13          1HB       ARG  13  -6.420  -2.411 -11.657
  104   1HG   ARG  13          2HG       ARG  13  -4.388  -2.767 -13.792
  105   2HG   ARG  13          1HG       ARG  13  -6.039  -2.378 -14.270
  106   1HD   ARG  13          2HD       ARG  13  -5.433  -0.677 -12.123
  107   2HD   ARG  13          1HD       ARG  13  -4.014  -0.666 -13.167
  108    HE   ARG  13           HE       ARG  13  -6.612   0.427 -13.753
  109   1HH1  ARG  13          1HH1      ARG  13  -3.628  -0.770 -15.112
  110   2HH1  ARG  13          2HH1      ARG  13  -3.808   0.105 -16.595
  111   1HH2  ARG  13          1HH2      ARG  13  -6.850   1.576 -15.705
  112   2HH2  ARG  13          2HH2      ARG  13  -5.635   1.436 -16.932
  113    H    GLU  14           H        GLU  14  -3.009  -4.206 -13.167
  114    HA   GLU  14           HA       GLU  14  -0.740  -3.094 -11.976
  115   1HB   GLU  14          2HB       GLU  14   0.086  -2.896 -14.391
  116   2HB   GLU  14          1HB       GLU  14  -0.377  -4.501 -13.838
  117   1HG   GLU  14          2HG       GLU  14  -2.697  -3.336 -14.913
  118   2HG   GLU  14          1HG       GLU  14  -1.386  -2.978 -16.039
  119    H    ASP  15           H        ASP  15  -0.719  -1.088 -11.206
  120    HA   ASP  15           HA       ASP  15  -0.181   1.205 -11.815
  121   1HB   ASP  15          2HB       ASP  15  -1.108   1.016 -14.115
  122   2HB   ASP  15          1HB       ASP  15  -2.735   1.082 -13.436
  123    H    GLU  16           H        GLU  16  -3.119  -0.381 -10.880
  124    HA   GLU  16           HA       GLU  16  -3.780   1.869  -9.110
  125   1HB   GLU  16          2HB       GLU  16  -6.019   1.205  -9.102
  126   2HB   GLU  16          1HB       GLU  16  -5.525   0.883 -10.747
  127   1HG   GLU  16          2HG       GLU  16  -5.316  -1.447 -10.306
  128   2HG   GLU  16          1HG       GLU  16  -5.644  -1.180  -8.598
  129    H    LEU  17           H        LEU  17  -4.222   1.491  -6.907
  130    HA   LEU  17           HA       LEU  17  -3.191  -1.072  -5.895
  131   1HB   LEU  17          2HB       LEU  17  -2.512   0.641  -3.901
  132   2HB   LEU  17          1HB       LEU  17  -1.429   0.107  -5.177
  133    HG   LEU  17           HG       LEU  17  -2.564   2.285  -6.358
  134   1HD1  LEU  17          1HD1      LEU  17  -3.142   3.935  -4.929
  135   2HD1  LEU  17          2HD1      LEU  17  -2.040   3.382  -3.668
  136   3HD1  LEU  17          3HD1      LEU  17  -3.586   2.567  -3.909
  137   1HD2  LEU  17          1HD2      LEU  17  -0.357   2.490  -6.562
  138   2HD2  LEU  17          2HD2      LEU  17  -0.054   1.630  -5.054
  139   3HD2  LEU  17          3HD2      LEU  17  -0.401   3.358  -5.027
  140    H    SER  18           H        SER  18  -4.603  -2.123  -4.692
  141    HA   SER  18           HA       SER  18  -6.999  -0.854  -3.743
  142   1HB   SER  18          2HB       SER  18  -7.818  -3.007  -3.334
  143   2HB   SER  18          1HB       SER  18  -6.723  -3.260  -4.698
  144    HG   SER  18           HG       SER  18  -6.445  -4.003  -2.017
  145    H    LEU  19           H        LEU  19  -7.663  -0.645  -1.583
  146    HA   LEU  19           HA       LEU  19  -5.450  -0.457   0.312
  147   1HB   LEU  19          2HB       LEU  19  -8.050   0.463   1.264
  148   2HB   LEU  19          1HB       LEU  19  -6.497   1.277   1.268
  149    HG   LEU  19           HG       LEU  19  -8.208   1.066  -1.196
  150   1HD1  LEU  19          1HD1      LEU  19  -9.524   2.194   0.479
  151   2HD1  LEU  19          2HD1      LEU  19  -8.938   3.366  -0.699
  152   3HD1  LEU  19          3HD1      LEU  19  -8.166   3.244   0.882
  153   1HD2  LEU  19          1HD2      LEU  19  -6.876   3.052  -1.862
  154   2HD2  LEU  19          2HD2      LEU  19  -5.915   1.587  -1.663
  155   3HD2  LEU  19          3HD2      LEU  19  -5.898   2.829  -0.411
  156    H    VAL  20           H        VAL  20  -5.555  -1.276   2.419
  157    HA   VAL  20           HA       VAL  20  -7.006  -3.800   2.607
  158    HB   VAL  20           HB       VAL  20  -5.136  -2.809   4.723
  159   1HG1  VAL  20          1HG1      VAL  20  -6.047  -4.816   5.381
  160   2HG1  VAL  20          2HG1      VAL  20  -4.576  -5.354   4.571
  161   3HG1  VAL  20          3HG1      VAL  20  -6.127  -5.443   3.735
  162   1HG2  VAL  20          1HG2      VAL  20  -3.234  -3.755   3.517
  163   2HG2  VAL  20          2HG2      VAL  20  -3.953  -2.417   2.621
  164   3HG2  VAL  20          3HG2      VAL  20  -4.269  -4.081   2.127
  165    H    LYS  21           H        LYS  21  -7.944  -4.426   4.740
  166    HA   LYS  21           HA       LYS  21  -9.798  -2.412   5.614
  167   1HB   LYS  21          2HB       LYS  21  -9.358  -5.243   6.571
  168   2HB   LYS  21          1HB       LYS  21 -10.698  -4.212   7.054
  169   1HG   LYS  21          2HG       LYS  21 -11.749  -5.308   5.399
  170   2HG   LYS  21          1HG       LYS  21 -10.981  -4.080   4.398
  171   1HD   LYS  21          2HD       LYS  21 -10.593  -6.208   3.375
  172   2HD   LYS  21          1HD       LYS  21  -9.071  -5.647   4.055
  173   1HE   LYS  21          2HE       LYS  21  -9.617  -8.075   4.448
  174   2HE   LYS  21          1HE       LYS  21  -9.227  -7.133   5.886
  175   1HZ   LYS  21          1HZ       LYS  21 -12.002  -7.660   4.984
  176   2HZ   LYS  21          2HZ       LYS  21 -11.509  -7.006   6.463
  177   3HZ   LYS  21          3HZ       LYS  21 -11.189  -8.628   6.108
  178    H    GLY  22           H        GLY  22  -7.002  -4.066   7.010
  179   1HA   GLY  22          2HA       GLY  22  -6.357  -1.945   8.730
  180   2HA   GLY  22          1HA       GLY  22  -7.296  -3.116   9.636
  181    H    SER  23           H        SER  23  -5.086  -3.940   7.060
  182    HA   SER  23           HA       SER  23  -3.481  -5.417   8.992
  183   1HB   SER  23          2HB       SER  23  -4.502  -6.073   6.426
  184   2HB   SER  23          1HB       SER  23  -2.740  -6.063   6.322
  185    HG   SER  23           HG       SER  23  -2.875  -7.382   8.329
  186    H    ARG  24           H        ARG  24  -1.111  -5.586   8.464
  187    HA   ARG  24           HA       ARG  24  -0.110  -2.912   7.867
  188   1HB   ARG  24          2HB       ARG  24   1.098  -5.250   9.279
  189   2HB   ARG  24          1HB       ARG  24   2.021  -3.815   8.878
  190   1HG   ARG  24          2HG       ARG  24  -0.442  -3.133  10.208
  191   2HG   ARG  24          1HG       ARG  24   0.510  -4.272  11.170
  192   1HD   ARG  24          2HD       ARG  24   2.474  -2.631  10.498
  193   2HD   ARG  24          1HD       ARG  24   1.141  -1.492  10.324
  194    HE   ARG  24           HE       ARG  24   1.107  -1.343  12.591
  195   1HH1  ARG  24          1HH1      ARG  24   2.399  -4.473  11.747
  196   2HH1  ARG  24          2HH1      ARG  24   2.671  -4.942  13.391
  197   1HH2  ARG  24          1HH2      ARG  24   1.464  -1.958  14.752
  198   2HH2  ARG  24          2HH2      ARG  24   2.136  -3.516  15.097
  199    H    VAL  25           H        VAL  25   1.591  -2.542   6.420
  200    HA   VAL  25           HA       VAL  25   2.025  -4.716   4.475
  201    HB   VAL  25           HB       VAL  25   2.123  -1.794   3.771
  202   1HG1  VAL  25          1HG1      VAL  25   1.398  -2.956   1.528
  203   2HG1  VAL  25          2HG1      VAL  25   2.121  -4.373   2.288
  204   3HG1  VAL  25          3HG1      VAL  25   3.089  -2.923   2.030
  205   1HG2  VAL  25          1HG2      VAL  25  -0.101  -2.311   4.718
  206   2HG2  VAL  25          2HG2      VAL  25  -0.284  -3.594   3.520
  207   3HG2  VAL  25          3HG2      VAL  25  -0.163  -1.913   3.001
  208    H    THR  26           H        THR  26   3.992  -4.473   3.156
  209    HA   THR  26           HA       THR  26   6.285  -3.982   4.828
  210    HB   THR  26           HB       THR  26   7.548  -5.135   3.238
  211    HG1  THR  26           1HG      THR  26   5.755  -4.018   1.478
  212   1HG2  THR  26          1HG2      THR  26   5.004  -6.246   3.849
  213   2HG2  THR  26          2HG2      THR  26   6.533  -7.070   3.537
  214   3HG2  THR  26          3HG2      THR  26   5.446  -6.694   2.201
  215    H    VAL  27           H        VAL  27   7.830  -2.370   4.562
  216    HA   VAL  27           HA       VAL  27   6.998   0.099   3.638
  217    HB   VAL  27           HB       VAL  27   8.894  -0.155   5.157
  218   1HG1  VAL  27          1HG1      VAL  27  10.896  -1.146   4.638
  219   2HG1  VAL  27          2HG1      VAL  27  10.709  -0.873   2.906
  220   3HG1  VAL  27          3HG1      VAL  27   9.785  -2.146   3.705
  221   1HG2  VAL  27          1HG2      VAL  27   9.887   1.210   2.668
  222   2HG2  VAL  27          2HG2      VAL  27  10.216   1.627   4.349
  223   3HG2  VAL  27          3HG2      VAL  27   8.606   1.880   3.676
  224    H    MET  28           H        MET  28   6.099  -0.017   1.691
  225    HA   MET  28           HA       MET  28   6.839  -1.165  -0.643
  226   1HB   MET  28          2HB       MET  28   5.685   0.939  -1.682
  227   2HB   MET  28          1HB       MET  28   4.762  -0.208  -0.715
  228   1HG   MET  28          2HG       MET  28   5.992   1.905   0.852
  229   2HG   MET  28          1HG       MET  28   4.853   2.505  -0.350
  230   1HE   MET  28          1HE       MET  28   4.733   3.094   2.380
  231   2HE   MET  28          2HE       MET  28   4.346   1.825   3.542
  232   3HE   MET  28          3HE       MET  28   3.062   2.839   2.885
  233    H    GLU  29           H        GLU  29   7.188   0.378  -2.692
  234    HA   GLU  29           HA       GLU  29   9.929   1.342  -2.425
  235   1HB   GLU  29          2HB       GLU  29  10.199   0.871  -4.681
  236   2HB   GLU  29          1HB       GLU  29   9.042  -0.348  -4.209
  237   1HG   GLU  29          2HG       GLU  29   7.236   0.872  -5.187
  238   2HG   GLU  29          1HG       GLU  29   8.273   2.264  -5.486
  239    H    LYS  30           H        LYS  30  10.567   3.285  -3.624
  240    HA   LYS  30           HA       LYS  30   8.465   5.322  -3.542
  241   1HB   LYS  30          2HB       LYS  30  11.435   5.481  -3.072
  242   2HB   LYS  30          1HB       LYS  30  10.485   6.915  -3.436
  243   1HG   LYS  30          2HG       LYS  30   9.162   6.618  -1.460
  244   2HG   LYS  30          1HG       LYS  30   9.929   5.058  -1.132
  245   1HD   LYS  30          2HD       LYS  30  11.674   6.028  -0.127
  246   2HD   LYS  30          1HD       LYS  30  11.872   7.196  -1.435
  247   1HE   LYS  30          2HE       LYS  30  11.404   8.332   0.661
  248   2HE   LYS  30          1HE       LYS  30  10.078   8.562  -0.478
  249   1HZ   LYS  30          1HZ       LYS  30  10.150   6.977   1.992
  250   2HZ   LYS  30          2HZ       LYS  30   9.119   6.490   0.743
  251   3HZ   LYS  30          3HZ       LYS  30   8.954   8.029   1.424
  252    H    CYS  31           H        CYS  31   7.686   5.200  -5.603
  253    HA   CYS  31           HA       CYS  31   9.582   5.294  -7.816
  254   1HB   CYS  31          2HB       CYS  31   7.825   4.587  -9.231
  255   2HB   CYS  31          1HB       CYS  31   7.634   3.658  -7.749
  256    HG   CYS  31           HG       CYS  31   5.292   4.453  -8.257
  257    H    SER  32           H        SER  32   9.223   6.804  -9.597
  258    HA   SER  32           HA       SER  32   8.498   9.436  -8.589
  259   1HB   SER  32          2HB       SER  32  10.589   9.414  -9.712
  260   2HB   SER  32          1HB       SER  32   9.935   8.502 -11.071
  261    HG   SER  32           HG       SER  32   9.004  11.085 -10.388
  262    H    ASP  33           H        ASP  33   6.928   6.973 -10.186
  263    HA   ASP  33           HA       ASP  33   5.212   8.818 -11.691
  264   1HB   ASP  33          2HB       ASP  33   5.914   5.940 -11.980
  265   2HB   ASP  33          1HB       ASP  33   4.290   6.433 -12.465
  266    H    GLY  34           H        GLY  34   2.846   7.933 -11.785
  267   1HA   GLY  34          2HA       GLY  34   1.779   8.218  -9.172
  268   2HA   GLY  34          1HA       GLY  34   0.861   7.852 -10.628
  269    H    TRP  35           H        TRP  35   2.562   5.438 -11.116
  270    HA   TRP  35           HA       TRP  35   0.970   3.612  -9.555
  271   1HB   TRP  35          2HB       TRP  35   2.284   1.871 -10.877
  272   2HB   TRP  35          1HB       TRP  35   1.267   2.960 -11.806
  273    HD1  TRP  35           HD       TRP  35   2.503   4.782 -13.347
  274    HE1  TRP  35           1HE      TRP  35   4.885   4.861 -14.319
  275    HE3  TRP  35           3HE      TRP  35   4.714   1.242 -10.388
  276    HZ2  TRP  35           2HZ      TRP  35   7.367   3.590 -13.895
  277    HZ3  TRP  35           3HZ      TRP  35   7.094   0.732 -10.740
  278    HH2  TRP  35           HH       TRP  35   8.391   1.882 -12.458
  279    H    TRP  36           H        TRP  36   1.585   3.568  -7.454
  280    HA   TRP  36           HA       TRP  36   4.386   3.404  -6.744
  281   1HB   TRP  36          2HB       TRP  36   1.948   4.271  -5.489
  282   2HB   TRP  36          1HB       TRP  36   2.789   3.131  -4.447
  283    HD1  TRP  36           HD       TRP  36   5.752   4.156  -5.497
  284    HE1  TRP  36           1HE      TRP  36   6.647   6.357  -4.486
  285    HE3  TRP  36           3HE      TRP  36   1.344   6.153  -3.851
  286    HZ2  TRP  36           2HZ      TRP  36   5.616   8.632  -3.171
  287    HZ3  TRP  36           3HZ      TRP  36   1.382   8.342  -2.729
  288    HH2  TRP  36           HH       TRP  36   3.475   9.555  -2.397
  289    H    ARG  37           H        ARG  37   5.450   1.596  -6.341
  290    HA   ARG  37           HA       ARG  37   3.969  -0.912  -6.131
  291   1HB   ARG  37          2HB       ARG  37   6.176  -0.267  -7.601
  292   2HB   ARG  37          1HB       ARG  37   6.900  -1.055  -6.204
  293   1HG   ARG  37          2HG       ARG  37   6.483  -2.997  -7.188
  294   2HG   ARG  37          1HG       ARG  37   4.771  -2.695  -6.902
  295   1HD   ARG  37          2HD       ARG  37   4.364  -2.341  -9.065
  296   2HD   ARG  37          1HD       ARG  37   5.764  -1.283  -9.237
  297    HE   ARG  37           HE       ARG  37   6.968  -3.056 -10.051
  298   1HH1  ARG  37          1HH1      ARG  37   4.041  -4.250  -8.570
  299   2HH1  ARG  37          2HH1      ARG  37   4.257  -5.867  -9.150
  300   1HH2  ARG  37          1HH2      ARG  37   7.254  -5.185 -10.816
  301   2HH2  ARG  37          2HH2      ARG  37   6.080  -6.398 -10.425
  302    H    GLY  38           H        GLY  38   4.387  -2.454  -4.559
  303   1HA   GLY  38          2HA       GLY  38   6.109  -1.962  -2.323
  304   2HA   GLY  38          1HA       GLY  38   4.415  -1.673  -1.937
  305    H    SER  39           H        SER  39   5.237  -3.522  -0.402
  306    HA   SER  39           HA       SER  39   4.335  -6.036  -1.625
  307   1HB   SER  39          2HB       SER  39   6.334  -6.487   0.447
  308   2HB   SER  39          1HB       SER  39   6.244  -7.147  -1.184
  309    HG   SER  39           HG       SER  39   7.732  -5.790  -1.733
  310    H    TYR  40           H        TYR  40   3.088  -7.363  -0.324
  311    HA   TYR  40           HA       TYR  40   2.695  -6.516   2.453
  312   1HB   TYR  40          2HB       TYR  40   0.140  -7.289   1.569
  313   2HB   TYR  40          1HB       TYR  40   0.671  -5.686   2.049
  314    HD1  TYR  40           1HD      TYR  40   2.017  -4.417   0.058
  315    HD2  TYR  40           2HD      TYR  40  -0.920  -7.448  -0.453
  316    HE1  TYR  40           1HE      TYR  40   1.579  -3.598  -2.216
  317    HE2  TYR  40           2HE      TYR  40  -1.367  -6.639  -2.732
  318    HH   TYR  40           HH       TYR  40  -0.326  -5.361  -4.469
  319    H    ASN  41           H        ASN  41   2.121  -8.124   3.885
  320    HA   ASN  41           HA       ASN  41   2.961 -10.730   3.290
  321   1HB   ASN  41          2HB       ASN  41   1.111 -10.087   5.547
  322   2HB   ASN  41          1HB       ASN  41   2.372 -11.310   5.487
  323   1HD2  ASN  41          1HD2      ASN  41   1.570  -8.167   6.401
  324   2HD2  ASN  41          2HD2      ASN  41   3.152  -7.619   6.824
  325    H    GLY  42           H        GLY  42   1.865 -11.512   1.498
  326   1HA   GLY  42          2HA       GLY  42  -0.009 -13.286   1.505
  327   2HA   GLY  42          1HA       GLY  42  -1.025 -11.873   1.753
  328    H    GLN  43           H        GLN  43   0.754 -10.233   0.053
  329    HA   GLN  43           HA       GLN  43   0.841 -11.330  -2.547
  330   1HB   GLN  43          2HB       GLN  43  -0.943  -9.751  -3.495
  331   2HB   GLN  43          1HB       GLN  43  -1.498 -11.210  -2.679
  332   1HG   GLN  43          2HG       GLN  43  -1.392  -9.361  -0.645
  333   2HG   GLN  43          1HG       GLN  43  -1.950  -8.414  -2.027
  334   1HE2  GLN  43          1HE2      GLN  43  -2.907 -10.276   0.502
  335   2HE2  GLN  43          2HE2      GLN  43  -4.478 -10.741  -0.059
  336    H    ILE  44           H        ILE  44   1.634  -9.845  -4.126
  337    HA   ILE  44           HA       ILE  44   2.732  -7.385  -2.956
  338    HB   ILE  44           HB       ILE  44   4.021  -9.506  -4.612
  339   1HG1  ILE  44          2HG1      ILE  44   5.853  -9.106  -3.043
  340   2HG1  ILE  44          1HG1      ILE  44   4.978  -7.726  -2.380
  341   1HG2  ILE  44          1HG2      ILE  44   4.885  -6.614  -4.639
  342   2HG2  ILE  44          2HG2      ILE  44   4.315  -7.548  -6.021
  343   3HG2  ILE  44          3HG2      ILE  44   5.840  -7.966  -5.242
  344   1HD1  ILE  44          1HD1      ILE  44   3.614  -9.007  -1.134
  345   2HD1  ILE  44          2HD1      ILE  44   4.951 -10.152  -1.269
  346   3HD1  ILE  44          3HD1      ILE  44   3.553 -10.300  -2.334
  347    H    GLY  45           H        GLY  45   3.196  -5.658  -4.462
  348   1HA   GLY  45          2HA       GLY  45   2.670  -5.334  -7.071
  349   2HA   GLY  45          1HA       GLY  45   1.043  -5.367  -6.392
  350    H    TRP  46           H        TRP  46   0.295  -3.348  -6.315
  351    HA   TRP  46           HA       TRP  46   2.125  -1.174  -5.650
  352   1HB   TRP  46          2HB       TRP  46  -0.627  -1.228  -6.896
  353   2HB   TRP  46          1HB       TRP  46   0.201   0.268  -6.453
  354    HD1  TRP  46           HD       TRP  46   2.033   1.140  -8.060
  355    HE1  TRP  46           1HE      TRP  46   2.999   0.361 -10.303
  356    HE3  TRP  46           3HE      TRP  46  -0.133  -3.470  -8.286
  357    HZ2  TRP  46           2HZ      TRP  46   2.840  -1.917 -11.974
  358    HZ3  TRP  46           3HZ      TRP  46   0.318  -4.891 -10.242
  359    HH2  TRP  46           HH       TRP  46   1.774  -4.130 -12.049
  360    H    PHE  47           H        PHE  47   1.850   0.146  -3.876
  361    HA   PHE  47           HA       PHE  47   0.125  -0.972  -1.816
  362   1HB   PHE  47          2HB       PHE  47   1.378   0.332  -0.222
  363   2HB   PHE  47          1HB       PHE  47   2.485  -0.525  -1.288
  364    HD1  PHE  47           1HD      PHE  47   1.295   2.715  -0.164
  365    HD2  PHE  47           2HD      PHE  47   3.776   0.697  -2.966
  366    HE1  PHE  47           1HE      PHE  47   2.488   4.819  -0.622
  367    HE2  PHE  47           2HE      PHE  47   4.970   2.797  -3.431
  368    HZ   PHE  47           HZ       PHE  47   4.327   4.860  -2.252
  369    HA   PRO  48           HA       PRO  48  -2.817   2.326  -2.071
  370   1HB   PRO  48          2HB       PRO  48  -4.451   1.517  -0.164
  371   2HB   PRO  48          1HB       PRO  48  -4.167   0.489  -1.574
  372   1HG   PRO  48          2HG       PRO  48  -3.025   0.288   1.184
  373   2HG   PRO  48          1HG       PRO  48  -3.603  -1.006   0.121
  374   1HD   PRO  48          2HD       PRO  48  -0.943  -0.232   0.438
  375   2HD   PRO  48          1HD       PRO  48  -1.587  -1.192  -0.907
  376    H    SER  49           H        SER  49  -0.659   3.522  -0.983
  377    HA   SER  49           HA       SER  49  -0.603   4.228   1.670
  378   1HB   SER  49          2HB       SER  49   0.574   5.171  -0.724
  379   2HB   SER  49          1HB       SER  49  -0.040   6.576   0.151
  380    HG   SER  49           HG       SER  49   1.615   4.555   1.264
  381    H    ASN  50           H        ASN  50  -3.019   5.065  -0.632
  382    HA   ASN  50           HA       ASN  50  -4.007   7.470   0.052
  383   1HB   ASN  50          2HB       ASN  50  -5.181   4.946  -0.868
  384   2HB   ASN  50          1HB       ASN  50  -6.320   6.083  -0.158
  385   1HD2  ASN  50          1HD2      ASN  50  -6.626   8.084  -1.121
  386   2HD2  ASN  50          2HD2      ASN  50  -6.167   8.380  -2.755
  387    H    TYR  51           H        TYR  51  -4.038   4.621   2.050
  388    HA   TYR  51           HA       TYR  51  -4.839   6.226   4.302
  389   1HB   TYR  51          2HB       TYR  51  -6.598   4.085   3.159
  390   2HB   TYR  51          1HB       TYR  51  -6.559   4.331   4.904
  391    HD1  TYR  51           1HD      TYR  51  -7.197   6.586   5.826
  392    HD2  TYR  51           2HD      TYR  51  -7.823   5.533   1.751
  393    HE1  TYR  51           1HE      TYR  51  -8.818   8.422   5.607
  394    HE2  TYR  51           2HE      TYR  51  -9.444   7.367   1.520
  395    HH   TYR  51           HH       TYR  51 -11.007   8.726   3.691
  396    H    VAL  52           H        VAL  52  -2.471   5.476   4.285
  397    HA   VAL  52           HA       VAL  52  -2.335   3.115   5.993
  398    HB   VAL  52           HB       VAL  52  -0.653   2.046   4.848
  399   1HG1  VAL  52          1HG1      VAL  52  -2.221   3.500   2.732
  400   2HG1  VAL  52          2HG1      VAL  52  -2.613   1.947   3.472
  401   3HG1  VAL  52          3HG1      VAL  52  -1.201   2.095   2.425
  402   1HG2  VAL  52          1HG2      VAL  52   1.019   3.707   4.715
  403   2HG2  VAL  52          2HG2      VAL  52   0.037   4.725   3.663
  404   3HG2  VAL  52          3HG2      VAL  52   0.715   3.218   3.047
  405    H    LEU  53           H        LEU  53  -0.269   2.990   7.238
  406    HA   LEU  53           HA       LEU  53   0.708   5.690   7.871
  407   1HB   LEU  53          2HB       LEU  53  -0.310   3.545   9.494
  408   2HB   LEU  53          1HB       LEU  53   1.336   3.917   9.964
  409    HG   LEU  53           HG       LEU  53   0.119   5.272  11.375
  410   1HD1  LEU  53          1HD1      LEU  53   0.918   7.303  10.890
  411   2HD1  LEU  53          2HD1      LEU  53   0.041   7.390   9.362
  412   3HD1  LEU  53          3HD1      LEU  53   1.581   6.534   9.447
  413   1HD2  LEU  53          1HD2      LEU  53  -1.750   6.337   9.336
  414   2HD2  LEU  53          2HD2      LEU  53  -2.005   6.012  11.050
  415   3HD2  LEU  53          3HD2      LEU  53  -1.993   4.679   9.891
  416    H    GLU  54           H        GLU  54   2.740   6.006   7.173
  417    HA   GLU  54           HA       GLU  54   4.490   3.667   6.912
  418   1HB   GLU  54          2HB       GLU  54   4.031   4.968   4.867
  419   2HB   GLU  54          1HB       GLU  54   4.773   6.376   5.617
  420   1HG   GLU  54          2HG       GLU  54   6.575   4.186   5.806
  421   2HG   GLU  54          1HG       GLU  54   5.997   4.306   4.143
  422    H    GLU  55           H        GLU  55   6.388   3.516   7.948
  423    HA   GLU  55           HA       GLU  55   7.187   5.759   9.654
  424   1HB   GLU  55          2HB       GLU  55   7.933   2.944  10.306
  425   2HB   GLU  55          1HB       GLU  55   7.723   4.312  11.388
  426   1HG   GLU  55          2HG       GLU  55   5.222   3.971  10.358
  427   2HG   GLU  55          1HG       GLU  55   5.824   2.321  10.478
  428    H    VAL  56           H        VAL  56   9.015   6.666   8.952
  429    HA   VAL  56           HA       VAL  56  10.866   5.077   7.363
  430    HB   VAL  56           HB       VAL  56  11.082   8.041   7.813
  431   1HG1  VAL  56          1HG1      VAL  56  12.644   8.020   6.194
  432   2HG1  VAL  56          2HG1      VAL  56  11.784   6.815   5.235
  433   3HG1  VAL  56          3HG1      VAL  56  12.776   6.310   6.603
  434   1HG2  VAL  56          1HG2      VAL  56   9.026   8.181   6.886
  435   2HG2  VAL  56          2HG2      VAL  56   9.106   6.557   6.202
  436   3HG2  VAL  56          3HG2      VAL  56   9.913   7.898   5.388
  437    H    ASP  57           H        ASP  57  11.551   3.945   9.354
  438    HA   ASP  57           HA       ASP  57  12.910   5.292  11.431
  439   1HB   ASP  57          2HB       ASP  57  11.965   2.858  11.322
  440   2HB   ASP  57          1HB       ASP  57  13.552   2.463  10.668